USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 781 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 79 LYS NZ :NH3+ -121:sc= 1.85 (180deg=-0.221) USER MOD Set 1.2: A 80 ASN : amide:sc= -3.59! C(o=-1.7!,f=-8.5!) USER MOD Set 2.1: A 66 LYS NZ :NH3+ 134:sc= 0.719 (180deg=-0.505) USER MOD Set 2.2: A 67 ASN : amide:sc= -5.89! C(o=-5.2!,f=-4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -4.06! C(o=-4.1!,f=-4.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.165 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.00012) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 28 THR OG1 : rot -111:sc= 1.25 USER MOD Single : A 30 CYS SG : rot -140:sc= -2.42! USER MOD Single : A 33 CYS SG : rot -81:sc= 1.27 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0492 (180deg=-0.296) USER MOD Single : A 35 MET CE :methyl 173:sc= -2.14 (180deg=-2.3) USER MOD Single : A 39 MET CE :methyl -151:sc= -5.76! (180deg=-8.95!) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.17) USER MOD Single : A 44 SER OG : rot -56:sc= 1.61 USER MOD Single : A 46 GLN : amide:sc= -0.0542 X(o=-0.054,f=-0.043) USER MOD Single : A 47 TYR OH : rot 150:sc= -1.85! USER MOD Single : A 49 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.23) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 136:sc= -0.477 (180deg=-1.16) USER MOD Single : A 74 THR OG1 : rot 82:sc= -0.084 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0274 (180deg=-0.26) USER MOD Single : A 91 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.36) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= -1.67! (180deg=-2.06!) USER MOD Single : A 97 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.13) USER MOD Single : A 102 ASN : amide:sc= -0.506 K(o=-0.51,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.454 -3.513 9.258 1.00 0.00 N ATOM 21 CA VAL A 2 -2.411 -3.522 8.250 1.00 0.00 C ATOM 22 C VAL A 2 -1.059 -3.162 8.882 1.00 0.00 C ATOM 23 O VAL A 2 -0.954 -2.188 9.626 1.00 0.00 O ATOM 24 CB VAL A 2 -2.797 -2.545 7.125 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.656 -2.326 6.151 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.029 -3.067 6.407 1.00 0.00 C ATOM 0 HA VAL A 2 -2.309 -4.519 7.822 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.020 -1.576 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.970 -1.630 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.798 -1.913 6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.378 -3.277 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.305 -2.377 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.814 -4.047 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.854 -3.152 7.115 1.00 0.00 H new ATOM 36 N THR A 3 -0.042 -3.966 8.584 1.00 0.00 N ATOM 37 CA THR A 3 1.245 -3.907 9.282 1.00 0.00 C ATOM 38 C THR A 3 2.066 -2.670 8.918 1.00 0.00 C ATOM 39 O THR A 3 2.069 -2.220 7.778 1.00 0.00 O ATOM 40 CB THR A 3 2.063 -5.177 8.981 1.00 0.00 C ATOM 41 OG1 THR A 3 1.251 -6.334 9.210 1.00 0.00 O ATOM 42 CG2 THR A 3 3.311 -5.255 9.850 1.00 0.00 C ATOM 0 H THR A 3 -0.084 -4.677 7.854 1.00 0.00 H new ATOM 0 HA THR A 3 1.023 -3.842 10.347 1.00 0.00 H new ATOM 0 HB THR A 3 2.377 -5.138 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.771 -7.142 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.864 -6.163 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.941 -4.386 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.022 -5.272 10.901 1.00 0.00 H new ATOM 50 N GLN A 4 2.775 -2.148 9.910 1.00 0.00 N ATOM 51 CA GLN A 4 3.571 -0.937 9.767 1.00 0.00 C ATOM 52 C GLN A 4 5.005 -1.262 9.337 1.00 0.00 C ATOM 53 O GLN A 4 5.621 -2.190 9.860 1.00 0.00 O ATOM 54 CB GLN A 4 3.593 -0.209 11.109 1.00 0.00 C ATOM 55 CG GLN A 4 4.250 1.166 11.059 1.00 0.00 C ATOM 56 CD GLN A 4 3.602 2.096 10.051 1.00 0.00 C ATOM 57 OE1 GLN A 4 4.260 2.958 9.469 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.307 1.941 9.849 1.00 0.00 N ATOM 0 H GLN A 4 2.814 -2.557 10.844 1.00 0.00 H new ATOM 0 HA GLN A 4 3.124 -0.309 8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.570 -0.098 11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.120 -0.826 11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.203 1.621 12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.305 1.050 10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.796 1.215 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.817 2.548 9.191 1.00 0.00 H new ATOM 67 N PHE A 5 5.519 -0.500 8.380 1.00 0.00 N ATOM 68 CA PHE A 5 6.926 -0.589 7.982 1.00 0.00 C ATOM 69 C PHE A 5 7.801 0.224 8.915 1.00 0.00 C ATOM 70 O PHE A 5 7.314 1.005 9.731 1.00 0.00 O ATOM 71 CB PHE A 5 7.126 -0.063 6.567 1.00 0.00 C ATOM 72 CG PHE A 5 6.691 -1.004 5.476 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.746 -2.379 5.648 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.247 -0.505 4.266 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.367 -3.233 4.634 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.863 -1.356 3.250 1.00 0.00 C ATOM 77 CZ PHE A 5 5.925 -2.720 3.432 1.00 0.00 C ATOM 0 H PHE A 5 4.981 0.193 7.859 1.00 0.00 H new ATOM 0 HA PHE A 5 7.207 -1.641 8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.576 0.872 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.182 0.170 6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.090 -2.786 6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.200 0.563 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.416 -4.302 4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.514 -0.952 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.628 -3.386 2.636 1.00 0.00 H new ATOM 87 N LYS A 6 9.101 0.043 8.765 1.00 0.00 N ATOM 88 CA LYS A 6 10.069 0.719 9.607 1.00 0.00 C ATOM 89 C LYS A 6 11.135 1.391 8.749 1.00 0.00 C ATOM 90 O LYS A 6 11.747 2.379 9.154 1.00 0.00 O ATOM 91 CB LYS A 6 10.730 -0.280 10.563 1.00 0.00 C ATOM 92 CG LYS A 6 9.771 -1.323 11.118 1.00 0.00 C ATOM 93 CD LYS A 6 10.464 -2.275 12.080 1.00 0.00 C ATOM 94 CE LYS A 6 9.531 -3.386 12.538 1.00 0.00 C ATOM 95 NZ LYS A 6 9.242 -4.364 11.453 1.00 0.00 N ATOM 0 H LYS A 6 9.512 -0.571 8.062 1.00 0.00 H new ATOM 0 HA LYS A 6 9.549 1.479 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.541 -0.787 10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.178 0.267 11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.949 -0.824 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.336 -1.891 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.338 -2.710 11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.823 -1.720 12.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.978 -3.907 13.384 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.596 -2.950 12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.603 -5.102 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.791 -3.873 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.130 -4.801 11.134 1.00 0.00 H new ATOM 109 N THR A 7 11.355 0.833 7.565 1.00 0.00 N ATOM 110 CA THR A 7 12.343 1.351 6.626 1.00 0.00 C ATOM 111 C THR A 7 11.885 1.120 5.189 1.00 0.00 C ATOM 112 O THR A 7 10.852 0.483 4.954 1.00 0.00 O ATOM 113 CB THR A 7 13.709 0.654 6.809 1.00 0.00 C ATOM 114 OG1 THR A 7 13.520 -0.766 6.803 1.00 0.00 O ATOM 115 CG2 THR A 7 14.394 1.078 8.100 1.00 0.00 C ATOM 0 H THR A 7 10.855 0.010 7.229 1.00 0.00 H new ATOM 0 HA THR A 7 12.447 2.418 6.826 1.00 0.00 H new ATOM 0 HB THR A 7 14.354 0.952 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.291 -1.200 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.351 0.565 8.190 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.560 2.155 8.087 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.762 0.818 8.949 1.00 0.00 H new ATOM 123 N ALA A 8 12.651 1.615 4.225 1.00 0.00 N ATOM 124 CA ALA A 8 12.394 1.289 2.832 1.00 0.00 C ATOM 125 C ALA A 8 12.739 -0.171 2.586 1.00 0.00 C ATOM 126 O ALA A 8 12.187 -0.815 1.693 1.00 0.00 O ATOM 127 CB ALA A 8 13.182 2.188 1.901 1.00 0.00 C ATOM 0 H ALA A 8 13.445 2.236 4.381 1.00 0.00 H new ATOM 0 HA ALA A 8 11.337 1.452 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.967 1.918 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.898 3.227 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.248 2.067 2.094 1.00 0.00 H new ATOM 133 N SER A 9 13.656 -0.683 3.401 1.00 0.00 N ATOM 134 CA SER A 9 13.992 -2.095 3.391 1.00 0.00 C ATOM 135 C SER A 9 12.759 -2.918 3.741 1.00 0.00 C ATOM 136 O SER A 9 12.485 -3.933 3.108 1.00 0.00 O ATOM 137 CB SER A 9 15.118 -2.367 4.385 1.00 0.00 C ATOM 138 OG SER A 9 16.234 -1.533 4.121 1.00 0.00 O ATOM 0 H SER A 9 14.181 -0.133 4.080 1.00 0.00 H new ATOM 0 HA SER A 9 14.332 -2.380 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.762 -2.195 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.418 -3.413 4.325 1.00 0.00 H new ATOM 0 HG SER A 9 16.944 -1.721 4.770 1.00 0.00 H new ATOM 144 N GLU A 10 12.011 -2.461 4.748 1.00 0.00 N ATOM 145 CA GLU A 10 10.727 -3.059 5.085 1.00 0.00 C ATOM 146 C GLU A 10 9.825 -3.136 3.863 1.00 0.00 C ATOM 147 O GLU A 10 9.203 -4.172 3.610 1.00 0.00 O ATOM 148 CB GLU A 10 10.039 -2.250 6.178 1.00 0.00 C ATOM 149 CG GLU A 10 10.384 -2.709 7.576 1.00 0.00 C ATOM 150 CD GLU A 10 9.564 -3.899 8.024 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.779 -5.010 7.498 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.704 -3.729 8.909 1.00 0.00 O ATOM 0 H GLU A 10 12.278 -1.676 5.343 1.00 0.00 H new ATOM 0 HA GLU A 10 10.912 -4.071 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.314 -1.201 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.960 -2.312 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.442 -2.967 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.229 -1.885 8.272 1.00 0.00 H new ATOM 159 N PHE A 11 9.763 -2.038 3.104 1.00 0.00 N ATOM 160 CA PHE A 11 8.934 -1.992 1.905 1.00 0.00 C ATOM 161 C PHE A 11 9.384 -3.062 0.917 1.00 0.00 C ATOM 162 O PHE A 11 8.643 -3.998 0.624 1.00 0.00 O ATOM 163 CB PHE A 11 8.993 -0.593 1.260 1.00 0.00 C ATOM 164 CG PHE A 11 7.940 -0.338 0.208 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.060 -0.874 -1.065 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.836 0.457 0.487 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.101 -0.627 -2.030 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.874 0.707 -0.483 1.00 0.00 C ATOM 169 CZ PHE A 11 6.011 0.163 -1.737 1.00 0.00 C ATOM 0 H PHE A 11 10.274 -1.177 3.300 1.00 0.00 H new ATOM 0 HA PHE A 11 7.900 -2.192 2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.893 0.158 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.977 -0.456 0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.913 -1.492 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.724 0.887 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.207 -1.055 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.021 1.327 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.264 0.355 -2.493 1.00 0.00 H new ATOM 179 N ASP A 12 10.619 -2.938 0.457 1.00 0.00 N ATOM 180 CA ASP A 12 11.181 -3.837 -0.555 1.00 0.00 C ATOM 181 C ASP A 12 11.158 -5.300 -0.103 1.00 0.00 C ATOM 182 O ASP A 12 10.910 -6.199 -0.906 1.00 0.00 O ATOM 183 CB ASP A 12 12.613 -3.410 -0.891 1.00 0.00 C ATOM 184 CG ASP A 12 13.342 -4.415 -1.764 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.117 -4.422 -2.993 1.00 0.00 O ATOM 186 OD2 ASP A 12 14.149 -5.199 -1.219 1.00 0.00 O ATOM 0 H ASP A 12 11.265 -2.213 0.771 1.00 0.00 H new ATOM 0 HA ASP A 12 10.557 -3.764 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.589 -2.446 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.171 -3.269 0.035 1.00 0.00 H new ATOM 191 N SER A 13 11.406 -5.534 1.181 1.00 0.00 N ATOM 192 CA SER A 13 11.396 -6.885 1.727 1.00 0.00 C ATOM 193 C SER A 13 10.017 -7.522 1.566 1.00 0.00 C ATOM 194 O SER A 13 9.901 -8.670 1.136 1.00 0.00 O ATOM 195 CB SER A 13 11.807 -6.874 3.201 1.00 0.00 C ATOM 196 OG SER A 13 11.888 -8.188 3.727 1.00 0.00 O ATOM 0 H SER A 13 11.616 -4.805 1.863 1.00 0.00 H new ATOM 0 HA SER A 13 12.119 -7.481 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.772 -6.378 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.086 -6.294 3.777 1.00 0.00 H new ATOM 0 HG SER A 13 12.154 -8.147 4.669 1.00 0.00 H new ATOM 202 N ALA A 14 8.971 -6.772 1.901 1.00 0.00 N ATOM 203 CA ALA A 14 7.611 -7.260 1.749 1.00 0.00 C ATOM 204 C ALA A 14 7.285 -7.456 0.278 1.00 0.00 C ATOM 205 O ALA A 14 6.584 -8.396 -0.098 1.00 0.00 O ATOM 206 CB ALA A 14 6.617 -6.301 2.389 1.00 0.00 C ATOM 0 H ALA A 14 9.042 -5.827 2.278 1.00 0.00 H new ATOM 0 HA ALA A 14 7.532 -8.221 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.606 -6.687 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.838 -6.204 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.695 -5.324 1.911 1.00 0.00 H new ATOM 212 N ILE A 15 7.818 -6.564 -0.545 1.00 0.00 N ATOM 213 CA ILE A 15 7.593 -6.598 -1.984 1.00 0.00 C ATOM 214 C ILE A 15 8.177 -7.856 -2.614 1.00 0.00 C ATOM 215 O ILE A 15 7.594 -8.430 -3.533 1.00 0.00 O ATOM 216 CB ILE A 15 8.228 -5.382 -2.681 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.683 -4.071 -2.132 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.006 -5.438 -4.171 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.191 -4.072 -1.871 1.00 0.00 C ATOM 0 H ILE A 15 8.417 -5.798 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 15 6.512 -6.584 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 15 9.298 -5.421 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.202 -3.837 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.915 -3.272 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.464 -4.567 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.457 -6.346 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.936 -5.441 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.889 -3.100 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.659 -4.272 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.950 -4.846 -1.142 1.00 0.00 H new ATOM 231 N ALA A 16 9.325 -8.278 -2.103 1.00 0.00 N ATOM 232 CA ALA A 16 10.074 -9.384 -2.687 1.00 0.00 C ATOM 233 C ALA A 16 9.377 -10.725 -2.490 1.00 0.00 C ATOM 234 O ALA A 16 9.888 -11.769 -2.895 1.00 0.00 O ATOM 235 CB ALA A 16 11.481 -9.420 -2.115 1.00 0.00 C ATOM 0 H ALA A 16 9.762 -7.867 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 16 10.127 -9.212 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.033 -10.250 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.990 -8.483 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.431 -9.553 -1.034 1.00 0.00 H new ATOM 241 N GLN A 17 8.214 -10.691 -1.872 1.00 0.00 N ATOM 242 CA GLN A 17 7.394 -11.866 -1.714 1.00 0.00 C ATOM 243 C GLN A 17 6.659 -12.166 -3.013 1.00 0.00 C ATOM 244 O GLN A 17 6.128 -11.259 -3.653 1.00 0.00 O ATOM 245 CB GLN A 17 6.392 -11.640 -0.593 1.00 0.00 C ATOM 246 CG GLN A 17 7.004 -11.687 0.793 1.00 0.00 C ATOM 247 CD GLN A 17 5.992 -11.450 1.899 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.095 -12.026 2.981 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.042 -10.557 1.666 1.00 0.00 N ATOM 0 H GLN A 17 7.814 -9.845 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 17 8.029 -12.716 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.913 -10.671 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.609 -12.395 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.476 -12.658 0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.791 -10.936 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.985 -10.098 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.367 -10.328 2.396 1.00 0.00 H new ATOM 258 N ASP A 18 6.616 -13.436 -3.397 1.00 0.00 N ATOM 259 CA ASP A 18 5.934 -13.837 -4.626 1.00 0.00 C ATOM 260 C ASP A 18 4.430 -13.962 -4.381 1.00 0.00 C ATOM 261 O ASP A 18 3.785 -14.940 -4.764 1.00 0.00 O ATOM 262 CB ASP A 18 6.514 -15.147 -5.166 1.00 0.00 C ATOM 263 CG ASP A 18 5.965 -15.513 -6.535 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.847 -14.616 -7.396 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.660 -16.705 -6.760 1.00 0.00 O ATOM 0 H ASP A 18 7.043 -14.204 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 18 6.095 -13.066 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.599 -15.062 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.296 -15.952 -4.465 1.00 0.00 H new ATOM 270 N LYS A 19 3.889 -12.958 -3.721 1.00 0.00 N ATOM 271 CA LYS A 19 2.466 -12.863 -3.462 1.00 0.00 C ATOM 272 C LYS A 19 2.003 -11.469 -3.847 1.00 0.00 C ATOM 273 O LYS A 19 2.813 -10.651 -4.284 1.00 0.00 O ATOM 274 CB LYS A 19 2.172 -13.105 -1.979 1.00 0.00 C ATOM 275 CG LYS A 19 2.766 -12.036 -1.078 1.00 0.00 C ATOM 276 CD LYS A 19 2.280 -12.159 0.354 1.00 0.00 C ATOM 277 CE LYS A 19 2.786 -13.419 1.028 1.00 0.00 C ATOM 278 NZ LYS A 19 2.245 -13.550 2.405 1.00 0.00 N ATOM 0 H LYS A 19 4.429 -12.178 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 19 1.939 -13.618 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.093 -13.142 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.567 -14.079 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.853 -12.109 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.505 -11.051 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.608 -11.289 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.190 -12.156 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.499 -14.290 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.875 -13.403 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.582 -14.438 2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.568 -12.748 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.206 -13.556 2.371 1.00 0.00 H new ATOM 292 N LEU A 20 0.722 -11.193 -3.692 1.00 0.00 N ATOM 293 CA LEU A 20 0.230 -9.849 -3.915 1.00 0.00 C ATOM 294 C LEU A 20 0.446 -9.020 -2.655 1.00 0.00 C ATOM 295 O LEU A 20 -0.144 -9.292 -1.604 1.00 0.00 O ATOM 296 CB LEU A 20 -1.252 -9.870 -4.312 1.00 0.00 C ATOM 297 CG LEU A 20 -1.780 -8.599 -4.994 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.848 -7.434 -4.029 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.901 -8.232 -6.173 1.00 0.00 C ATOM 0 H LEU A 20 0.012 -11.872 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 20 0.782 -9.396 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.417 -10.714 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.846 -10.052 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.791 -8.811 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.226 -6.553 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.515 -7.683 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.852 -7.226 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.287 -7.329 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.117 -8.053 -5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.900 -9.049 -6.895 1.00 0.00 H new ATOM 311 N VAL A 21 1.309 -8.027 -2.762 1.00 0.00 N ATOM 312 CA VAL A 21 1.607 -7.153 -1.643 1.00 0.00 C ATOM 313 C VAL A 21 0.920 -5.811 -1.838 1.00 0.00 C ATOM 314 O VAL A 21 1.146 -5.139 -2.843 1.00 0.00 O ATOM 315 CB VAL A 21 3.125 -6.916 -1.502 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.459 -6.356 -0.127 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.899 -8.195 -1.777 1.00 0.00 C ATOM 0 H VAL A 21 1.818 -7.805 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 21 1.241 -7.639 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 21 3.426 -6.178 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.535 -6.197 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.941 -5.408 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.141 -7.062 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.967 -8.004 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.596 -8.964 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.690 -8.536 -2.791 1.00 0.00 H new ATOM 327 N VAL A 22 0.072 -5.432 -0.897 1.00 0.00 N ATOM 328 CA VAL A 22 -0.595 -4.143 -0.964 1.00 0.00 C ATOM 329 C VAL A 22 -0.030 -3.226 0.094 1.00 0.00 C ATOM 330 O VAL A 22 -0.170 -3.485 1.291 1.00 0.00 O ATOM 331 CB VAL A 22 -2.112 -4.247 -0.745 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.789 -2.910 -1.016 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.707 -5.335 -1.610 1.00 0.00 C ATOM 0 H VAL A 22 -0.170 -5.995 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.421 -3.751 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.287 -4.511 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.863 -3.007 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.387 -2.155 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.602 -2.610 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.782 -5.390 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.519 -5.109 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.250 -6.292 -1.357 1.00 0.00 H new ATOM 343 N VAL A 23 0.616 -2.167 -0.337 1.00 0.00 N ATOM 344 CA VAL A 23 1.199 -1.241 0.600 1.00 0.00 C ATOM 345 C VAL A 23 0.415 0.056 0.644 1.00 0.00 C ATOM 346 O VAL A 23 0.123 0.670 -0.385 1.00 0.00 O ATOM 347 CB VAL A 23 2.671 -0.951 0.292 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.273 -0.128 1.411 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.438 -2.248 0.111 1.00 0.00 C ATOM 0 H VAL A 23 0.749 -1.929 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 23 1.152 -1.719 1.578 1.00 0.00 H new ATOM 0 HB VAL A 23 2.737 -0.385 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.320 0.077 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.731 0.813 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.202 -0.681 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.482 -2.026 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.376 -2.838 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.007 -2.813 -0.715 1.00 0.00 H new ATOM 359 N ALA A 24 0.080 0.446 1.853 1.00 0.00 N ATOM 360 CA ALA A 24 -0.709 1.633 2.110 1.00 0.00 C ATOM 361 C ALA A 24 0.188 2.803 2.485 1.00 0.00 C ATOM 362 O ALA A 24 0.655 2.893 3.622 1.00 0.00 O ATOM 363 CB ALA A 24 -1.670 1.360 3.252 1.00 0.00 C ATOM 0 H ALA A 24 0.351 -0.058 2.698 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.261 1.887 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.265 2.252 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.330 0.535 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.106 1.097 4.147 1.00 0.00 H new ATOM 369 N PHE A 25 0.446 3.691 1.549 1.00 0.00 N ATOM 370 CA PHE A 25 1.253 4.860 1.848 1.00 0.00 C ATOM 371 C PHE A 25 0.400 6.104 1.993 1.00 0.00 C ATOM 372 O PHE A 25 -0.324 6.498 1.078 1.00 0.00 O ATOM 373 CB PHE A 25 2.336 5.061 0.799 1.00 0.00 C ATOM 374 CG PHE A 25 3.656 4.529 1.253 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.763 3.224 1.685 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.780 5.333 1.273 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.965 2.723 2.126 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.988 4.838 1.715 1.00 0.00 C ATOM 379 CZ PHE A 25 6.079 3.529 2.141 1.00 0.00 C ATOM 0 H PHE A 25 0.115 3.630 0.586 1.00 0.00 H new ATOM 0 HA PHE A 25 1.741 4.683 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.043 4.564 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.431 6.123 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.891 2.587 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.711 6.358 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.034 1.698 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.861 5.473 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.025 3.138 2.486 1.00 0.00 H new ATOM 389 N TYR A 26 0.483 6.712 3.161 1.00 0.00 N ATOM 390 CA TYR A 26 -0.253 7.925 3.449 1.00 0.00 C ATOM 391 C TYR A 26 0.491 8.742 4.487 1.00 0.00 C ATOM 392 O TYR A 26 1.360 8.225 5.178 1.00 0.00 O ATOM 393 CB TYR A 26 -1.673 7.599 3.927 1.00 0.00 C ATOM 394 CG TYR A 26 -1.752 6.717 5.163 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.646 5.336 5.061 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.957 7.265 6.424 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.740 4.526 6.175 1.00 0.00 C ATOM 398 CE2 TYR A 26 -2.055 6.461 7.544 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.947 5.093 7.415 1.00 0.00 C ATOM 400 OH TYR A 26 -2.052 4.291 8.530 1.00 0.00 O ATOM 0 H TYR A 26 1.061 6.379 3.933 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.337 8.512 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.194 8.534 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.209 7.108 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.487 4.887 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.041 8.336 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.652 3.454 6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.216 6.903 8.516 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.195 4.850 9.322 1.00 0.00 H new ATOM 410 N ALA A 27 0.169 10.018 4.577 1.00 0.00 N ATOM 411 CA ALA A 27 0.826 10.898 5.526 1.00 0.00 C ATOM 412 C ALA A 27 -0.158 11.360 6.586 1.00 0.00 C ATOM 413 O ALA A 27 -1.274 11.770 6.270 1.00 0.00 O ATOM 414 CB ALA A 27 1.433 12.091 4.810 1.00 0.00 C ATOM 0 H ALA A 27 -0.544 10.469 4.004 1.00 0.00 H new ATOM 0 HA ALA A 27 1.628 10.344 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.922 12.741 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.166 11.744 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.647 12.646 4.297 1.00 0.00 H new ATOM 420 N THR A 28 0.265 11.294 7.840 1.00 0.00 N ATOM 421 CA THR A 28 -0.592 11.637 8.968 1.00 0.00 C ATOM 422 C THR A 28 -0.967 13.120 8.986 1.00 0.00 C ATOM 423 O THR A 28 -1.964 13.502 9.600 1.00 0.00 O ATOM 424 CB THR A 28 0.076 11.260 10.300 1.00 0.00 C ATOM 425 OG1 THR A 28 1.441 11.701 10.300 1.00 0.00 O ATOM 426 CG2 THR A 28 0.018 9.758 10.532 1.00 0.00 C ATOM 0 H THR A 28 1.206 11.003 8.105 1.00 0.00 H new ATOM 0 HA THR A 28 -1.509 11.061 8.845 1.00 0.00 H new ATOM 0 HB THR A 28 -0.466 11.752 11.108 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.036 10.923 10.276 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.497 9.518 11.481 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.022 9.434 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.537 9.245 9.723 1.00 0.00 H new ATOM 434 N TRP A 29 -0.175 13.956 8.317 1.00 0.00 N ATOM 435 CA TRP A 29 -0.498 15.377 8.221 1.00 0.00 C ATOM 436 C TRP A 29 -1.591 15.604 7.184 1.00 0.00 C ATOM 437 O TRP A 29 -2.255 16.640 7.178 1.00 0.00 O ATOM 438 CB TRP A 29 0.744 16.223 7.886 1.00 0.00 C ATOM 439 CG TRP A 29 1.422 15.876 6.588 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.561 15.142 6.437 1.00 0.00 C ATOM 441 CD2 TRP A 29 1.018 16.265 5.267 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.884 15.040 5.107 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.954 15.719 4.368 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.044 17.014 4.755 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.858 15.900 2.992 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.139 17.192 3.391 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.806 16.636 2.521 1.00 0.00 C ATOM 0 H TRP A 29 0.683 13.679 7.840 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.862 15.699 9.197 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.452 17.273 7.856 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.466 16.116 8.695 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.127 14.704 7.246 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.688 14.539 4.730 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.779 17.447 5.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.588 15.474 2.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.957 17.770 2.987 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.702 16.791 1.457 1.00 0.00 H new ATOM 458 N CYS A 30 -1.780 14.620 6.319 1.00 0.00 N ATOM 459 CA CYS A 30 -2.752 14.716 5.245 1.00 0.00 C ATOM 460 C CYS A 30 -4.143 14.369 5.767 1.00 0.00 C ATOM 461 O CYS A 30 -4.286 13.544 6.670 1.00 0.00 O ATOM 462 CB CYS A 30 -2.355 13.773 4.105 1.00 0.00 C ATOM 463 SG CYS A 30 -3.438 13.840 2.662 1.00 0.00 S ATOM 0 H CYS A 30 -1.267 13.739 6.342 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.771 15.738 4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.339 14.011 3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.340 12.751 4.485 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.621 12.638 2.201 1.00 0.00 H new ATOM 469 N GLY A 31 -5.156 15.008 5.206 1.00 0.00 N ATOM 470 CA GLY A 31 -6.522 14.771 5.632 1.00 0.00 C ATOM 471 C GLY A 31 -7.092 13.452 5.125 1.00 0.00 C ATOM 472 O GLY A 31 -7.393 12.567 5.927 1.00 0.00 O ATOM 0 H GLY A 31 -5.057 15.693 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.562 14.781 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.151 15.589 5.282 1.00 0.00 H new ATOM 476 N PRO A 32 -7.243 13.286 3.792 1.00 0.00 N ATOM 477 CA PRO A 32 -7.893 12.104 3.191 1.00 0.00 C ATOM 478 C PRO A 32 -7.114 10.793 3.350 1.00 0.00 C ATOM 479 O PRO A 32 -7.467 9.782 2.743 1.00 0.00 O ATOM 480 CB PRO A 32 -7.997 12.469 1.707 1.00 0.00 C ATOM 481 CG PRO A 32 -6.919 13.468 1.486 1.00 0.00 C ATOM 482 CD PRO A 32 -6.825 14.256 2.760 1.00 0.00 C ATOM 0 HA PRO A 32 -8.844 11.906 3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.860 11.593 1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.976 12.884 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.972 12.978 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.153 14.116 0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.812 14.618 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.477 15.129 2.742 1.00 0.00 H new ATOM 490 N CYS A 33 -6.072 10.795 4.173 1.00 0.00 N ATOM 491 CA CYS A 33 -5.307 9.579 4.431 1.00 0.00 C ATOM 492 C CYS A 33 -6.172 8.565 5.172 1.00 0.00 C ATOM 493 O CYS A 33 -5.964 7.343 5.091 1.00 0.00 O ATOM 494 CB CYS A 33 -4.062 9.903 5.254 1.00 0.00 C ATOM 495 SG CYS A 33 -4.412 10.640 6.865 1.00 0.00 S ATOM 0 H CYS A 33 -5.738 11.620 4.671 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.997 9.151 3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.490 8.987 5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.431 10.585 4.684 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.646 11.910 6.719 1.00 0.00 H new ATOM 501 N LYS A 34 -7.171 9.089 5.873 1.00 0.00 N ATOM 502 CA LYS A 34 -8.086 8.269 6.646 1.00 0.00 C ATOM 503 C LYS A 34 -8.852 7.314 5.746 1.00 0.00 C ATOM 504 O LYS A 34 -9.357 6.304 6.215 1.00 0.00 O ATOM 505 CB LYS A 34 -9.073 9.143 7.415 1.00 0.00 C ATOM 506 CG LYS A 34 -8.414 10.159 8.329 1.00 0.00 C ATOM 507 CD LYS A 34 -9.454 10.957 9.095 1.00 0.00 C ATOM 508 CE LYS A 34 -8.812 12.029 9.956 1.00 0.00 C ATOM 509 NZ LYS A 34 -8.080 13.032 9.142 1.00 0.00 N ATOM 0 H LYS A 34 -7.366 10.089 5.919 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.493 7.689 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.709 9.669 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.723 8.502 8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.753 9.648 9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.793 10.834 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.148 11.420 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.038 10.285 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.581 12.531 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.124 11.563 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.876 13.870 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.187 12.620 8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.663 13.310 8.327 1.00 0.00 H new ATOM 523 N MET A 35 -8.922 7.625 4.453 1.00 0.00 N ATOM 524 CA MET A 35 -9.639 6.776 3.512 1.00 0.00 C ATOM 525 C MET A 35 -8.898 5.453 3.354 1.00 0.00 C ATOM 526 O MET A 35 -9.501 4.379 3.274 1.00 0.00 O ATOM 527 CB MET A 35 -9.758 7.459 2.147 1.00 0.00 C ATOM 528 CG MET A 35 -11.123 7.285 1.490 1.00 0.00 C ATOM 529 SD MET A 35 -11.730 5.586 1.568 1.00 0.00 S ATOM 530 CE MET A 35 -13.142 5.657 0.470 1.00 0.00 C ATOM 0 H MET A 35 -8.494 8.453 4.038 1.00 0.00 H new ATOM 0 HA MET A 35 -10.641 6.596 3.900 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.555 8.523 2.265 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.992 7.059 1.483 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.841 7.945 1.977 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.061 7.596 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.540 4.653 0.324 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.912 6.292 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.835 6.069 -0.491 1.00 0.00 H new ATOM 540 N ILE A 36 -7.576 5.541 3.354 1.00 0.00 N ATOM 541 CA ILE A 36 -6.739 4.371 3.186 1.00 0.00 C ATOM 542 C ILE A 36 -6.734 3.539 4.453 1.00 0.00 C ATOM 543 O ILE A 36 -6.542 2.325 4.407 1.00 0.00 O ATOM 544 CB ILE A 36 -5.299 4.790 2.791 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.069 4.537 1.304 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.246 4.077 3.622 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.193 5.040 0.436 1.00 0.00 C ATOM 0 H ILE A 36 -7.062 6.415 3.469 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.148 3.760 2.381 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.199 5.856 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.140 5.019 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.942 3.467 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.254 4.403 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.391 4.316 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.337 3.000 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.968 4.829 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.120 4.540 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.305 6.115 0.573 1.00 0.00 H new ATOM 559 N ALA A 37 -6.996 4.192 5.576 1.00 0.00 N ATOM 560 CA ALA A 37 -7.099 3.487 6.844 1.00 0.00 C ATOM 561 C ALA A 37 -8.100 2.310 6.777 1.00 0.00 C ATOM 562 O ALA A 37 -7.675 1.158 6.878 1.00 0.00 O ATOM 563 CB ALA A 37 -7.424 4.448 7.982 1.00 0.00 C ATOM 0 H ALA A 37 -7.140 5.200 5.635 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.123 3.049 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.495 3.893 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.636 5.196 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.374 4.943 7.780 1.00 0.00 H new ATOM 569 N PRO A 38 -9.430 2.529 6.588 1.00 0.00 N ATOM 570 CA PRO A 38 -10.384 1.422 6.636 1.00 0.00 C ATOM 571 C PRO A 38 -10.511 0.645 5.328 1.00 0.00 C ATOM 572 O PRO A 38 -10.754 -0.552 5.358 1.00 0.00 O ATOM 573 CB PRO A 38 -11.695 2.115 6.973 1.00 0.00 C ATOM 574 CG PRO A 38 -11.587 3.435 6.303 1.00 0.00 C ATOM 575 CD PRO A 38 -10.120 3.794 6.313 1.00 0.00 C ATOM 0 HA PRO A 38 -10.069 0.665 7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.551 1.550 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.824 2.223 8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.969 3.386 5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.175 4.187 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.809 4.215 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.900 4.540 7.077 1.00 0.00 H new ATOM 583 N MET A 39 -10.336 1.308 4.179 1.00 0.00 N ATOM 584 CA MET A 39 -10.548 0.644 2.895 1.00 0.00 C ATOM 585 C MET A 39 -9.476 -0.413 2.682 1.00 0.00 C ATOM 586 O MET A 39 -9.733 -1.492 2.142 1.00 0.00 O ATOM 587 CB MET A 39 -10.556 1.698 1.770 1.00 0.00 C ATOM 588 CG MET A 39 -10.518 1.144 0.352 1.00 0.00 C ATOM 589 SD MET A 39 -8.858 0.667 -0.177 1.00 0.00 S ATOM 590 CE MET A 39 -7.893 2.032 0.470 1.00 0.00 C ATOM 0 H MET A 39 -10.053 2.286 4.115 1.00 0.00 H new ATOM 0 HA MET A 39 -11.513 0.138 2.885 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.450 2.312 1.878 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.699 2.357 1.907 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.176 0.277 0.289 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.911 1.893 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.014 2.185 -0.156 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.499 2.938 0.471 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.578 1.805 1.489 1.00 0.00 H new ATOM 600 N ILE A 40 -8.288 -0.113 3.164 1.00 0.00 N ATOM 601 CA ILE A 40 -7.161 -1.007 3.025 1.00 0.00 C ATOM 602 C ILE A 40 -7.180 -2.091 4.095 1.00 0.00 C ATOM 603 O ILE A 40 -6.860 -3.244 3.825 1.00 0.00 O ATOM 604 CB ILE A 40 -5.855 -0.201 3.040 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.400 0.037 1.611 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.762 -0.874 3.857 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.310 1.064 1.493 1.00 0.00 C ATOM 0 H ILE A 40 -8.078 0.753 3.660 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.231 -1.520 2.066 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.052 0.754 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.049 -0.904 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.255 0.355 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.861 -0.261 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.097 -0.988 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.545 -1.855 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.034 1.183 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.664 2.017 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.440 0.738 2.062 1.00 0.00 H new ATOM 619 N GLU A 41 -7.581 -1.745 5.306 1.00 0.00 N ATOM 620 CA GLU A 41 -7.788 -2.773 6.318 1.00 0.00 C ATOM 621 C GLU A 41 -8.934 -3.691 5.892 1.00 0.00 C ATOM 622 O GLU A 41 -9.013 -4.854 6.300 1.00 0.00 O ATOM 623 CB GLU A 41 -8.079 -2.153 7.688 1.00 0.00 C ATOM 624 CG GLU A 41 -6.849 -1.572 8.366 1.00 0.00 C ATOM 625 CD GLU A 41 -7.103 -1.165 9.803 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.294 -2.062 10.648 1.00 0.00 O ATOM 627 OE2 GLU A 41 -7.104 0.049 10.096 1.00 0.00 O ATOM 0 H GLU A 41 -7.766 -0.789 5.610 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.873 -3.358 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.825 -1.367 7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.516 -2.913 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.045 -2.307 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.507 -0.704 7.803 1.00 0.00 H new ATOM 634 N LYS A 42 -9.798 -3.160 5.033 1.00 0.00 N ATOM 635 CA LYS A 42 -10.971 -3.875 4.575 1.00 0.00 C ATOM 636 C LYS A 42 -10.628 -4.912 3.504 1.00 0.00 C ATOM 637 O LYS A 42 -11.233 -5.986 3.481 1.00 0.00 O ATOM 638 CB LYS A 42 -12.014 -2.892 4.041 1.00 0.00 C ATOM 639 CG LYS A 42 -13.342 -3.537 3.691 1.00 0.00 C ATOM 640 CD LYS A 42 -14.097 -3.964 4.937 1.00 0.00 C ATOM 641 CE LYS A 42 -15.420 -4.623 4.590 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.194 -4.990 5.804 1.00 0.00 N ATOM 0 H LYS A 42 -9.700 -2.224 4.639 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.382 -4.410 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.183 -2.116 4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.615 -2.400 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.949 -2.836 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.170 -4.404 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.485 -4.657 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.278 -3.095 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.012 -3.946 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.235 -5.517 3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.963 -5.639 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.565 -5.457 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.596 -4.132 6.232 1.00 0.00 H new ATOM 656 N PHE A 43 -9.675 -4.608 2.613 1.00 0.00 N ATOM 657 CA PHE A 43 -9.321 -5.568 1.560 1.00 0.00 C ATOM 658 C PHE A 43 -8.857 -6.890 2.189 1.00 0.00 C ATOM 659 O PHE A 43 -9.259 -7.965 1.741 1.00 0.00 O ATOM 660 CB PHE A 43 -8.275 -5.009 0.549 1.00 0.00 C ATOM 661 CG PHE A 43 -6.813 -5.129 0.932 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.174 -6.363 0.953 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.074 -4.003 1.253 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.842 -6.469 1.295 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.738 -4.105 1.596 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.123 -5.339 1.618 1.00 0.00 C ATOM 0 H PHE A 43 -9.150 -3.734 2.598 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.220 -5.754 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.418 -5.520 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.496 -3.955 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.729 -7.253 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.547 -3.032 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.363 -7.437 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.176 -3.217 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.080 -5.419 1.888 1.00 0.00 H new ATOM 676 N SER A 44 -8.054 -6.822 3.257 1.00 0.00 N ATOM 677 CA SER A 44 -7.564 -8.039 3.895 1.00 0.00 C ATOM 678 C SER A 44 -8.583 -8.582 4.887 1.00 0.00 C ATOM 679 O SER A 44 -8.494 -9.732 5.310 1.00 0.00 O ATOM 680 CB SER A 44 -6.241 -7.793 4.602 1.00 0.00 C ATOM 681 OG SER A 44 -5.682 -6.548 4.226 1.00 0.00 O ATOM 0 H SER A 44 -7.737 -5.953 3.688 1.00 0.00 H new ATOM 0 HA SER A 44 -7.408 -8.778 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.393 -7.815 5.681 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.543 -8.595 4.362 1.00 0.00 H new ATOM 0 HG SER A 44 -5.584 -6.515 3.252 1.00 0.00 H new ATOM 687 N GLU A 45 -9.540 -7.748 5.280 1.00 0.00 N ATOM 688 CA GLU A 45 -10.655 -8.219 6.086 1.00 0.00 C ATOM 689 C GLU A 45 -11.486 -9.196 5.260 1.00 0.00 C ATOM 690 O GLU A 45 -12.135 -10.096 5.796 1.00 0.00 O ATOM 691 CB GLU A 45 -11.517 -7.046 6.564 1.00 0.00 C ATOM 692 CG GLU A 45 -12.589 -7.448 7.565 1.00 0.00 C ATOM 693 CD GLU A 45 -13.399 -6.269 8.060 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.891 -5.502 8.902 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.555 -6.106 7.613 1.00 0.00 O ATOM 0 H GLU A 45 -9.565 -6.753 5.055 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.270 -8.726 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.872 -6.293 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.993 -6.580 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.258 -8.174 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.119 -7.943 8.415 1.00 0.00 H new ATOM 702 N GLN A 46 -11.441 -9.016 3.943 1.00 0.00 N ATOM 703 CA GLN A 46 -12.105 -9.915 3.025 1.00 0.00 C ATOM 704 C GLN A 46 -11.157 -11.047 2.655 1.00 0.00 C ATOM 705 O GLN A 46 -11.527 -12.221 2.686 1.00 0.00 O ATOM 706 CB GLN A 46 -12.549 -9.173 1.758 1.00 0.00 C ATOM 707 CG GLN A 46 -13.420 -7.955 2.023 1.00 0.00 C ATOM 708 CD GLN A 46 -14.680 -8.283 2.799 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.714 -8.613 2.218 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.604 -8.191 4.117 1.00 0.00 N ATOM 0 H GLN A 46 -10.945 -8.247 3.492 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.992 -10.320 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.664 -8.859 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.096 -9.865 1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.841 -7.216 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.694 -7.498 1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.728 -7.914 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.422 -8.397 4.691 1.00 0.00 H new ATOM 719 N TYR A 47 -9.927 -10.685 2.309 1.00 0.00 N ATOM 720 CA TYR A 47 -8.923 -11.664 1.942 1.00 0.00 C ATOM 721 C TYR A 47 -7.550 -11.355 2.551 1.00 0.00 C ATOM 722 O TYR A 47 -6.756 -10.604 1.998 1.00 0.00 O ATOM 723 CB TYR A 47 -8.842 -11.811 0.420 1.00 0.00 C ATOM 724 CG TYR A 47 -8.781 -10.520 -0.373 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.642 -9.728 -0.388 1.00 0.00 C ATOM 726 CD2 TYR A 47 -9.867 -10.116 -1.133 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.589 -8.572 -1.134 1.00 0.00 C ATOM 728 CE2 TYR A 47 -9.820 -8.963 -1.888 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.676 -8.197 -1.885 1.00 0.00 C ATOM 730 OH TYR A 47 -8.619 -7.050 -2.632 1.00 0.00 O ATOM 0 H TYR A 47 -9.605 -9.718 2.276 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.236 -12.620 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.959 -12.404 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.709 -12.379 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.782 -10.023 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.766 -10.715 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.697 -7.963 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.674 -8.663 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.190 -7.146 -3.423 1.00 0.00 H new ATOM 740 N PRO A 48 -7.248 -11.925 3.721 1.00 0.00 N ATOM 741 CA PRO A 48 -5.936 -11.767 4.351 1.00 0.00 C ATOM 742 C PRO A 48 -4.841 -12.509 3.573 1.00 0.00 C ATOM 743 O PRO A 48 -3.679 -12.536 3.979 1.00 0.00 O ATOM 744 CB PRO A 48 -6.128 -12.346 5.748 1.00 0.00 C ATOM 745 CG PRO A 48 -7.248 -13.320 5.608 1.00 0.00 C ATOM 746 CD PRO A 48 -8.147 -12.777 4.526 1.00 0.00 C ATOM 0 HA PRO A 48 -5.606 -10.728 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.220 -12.835 6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.371 -11.566 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.873 -14.308 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.791 -13.427 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.583 -13.577 3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.975 -12.204 4.943 1.00 0.00 H new ATOM 754 N GLN A 49 -5.243 -13.114 2.453 1.00 0.00 N ATOM 755 CA GLN A 49 -4.339 -13.851 1.572 1.00 0.00 C ATOM 756 C GLN A 49 -3.279 -12.932 0.978 1.00 0.00 C ATOM 757 O GLN A 49 -2.194 -13.372 0.600 1.00 0.00 O ATOM 758 CB GLN A 49 -5.145 -14.474 0.428 1.00 0.00 C ATOM 759 CG GLN A 49 -4.291 -15.141 -0.639 1.00 0.00 C ATOM 760 CD GLN A 49 -4.797 -14.887 -2.044 1.00 0.00 C ATOM 761 OE1 GLN A 49 -4.696 -15.751 -2.913 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.284 -13.681 -2.301 1.00 0.00 N ATOM 0 H GLN A 49 -6.211 -13.105 2.131 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.844 -14.623 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.833 -15.211 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.752 -13.699 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.266 -14.778 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.264 -16.215 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.353 -12.989 -1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.590 -13.445 -3.245 1.00 0.00 H new ATOM 771 N ALA A 50 -3.583 -11.652 0.927 1.00 0.00 N ATOM 772 CA ALA A 50 -2.655 -10.680 0.388 1.00 0.00 C ATOM 773 C ALA A 50 -1.961 -9.993 1.541 1.00 0.00 C ATOM 774 O ALA A 50 -2.509 -9.941 2.644 1.00 0.00 O ATOM 775 CB ALA A 50 -3.398 -9.680 -0.471 1.00 0.00 C ATOM 0 H ALA A 50 -4.467 -11.260 1.253 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.911 -11.171 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.694 -8.952 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.890 -10.201 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.146 -9.166 0.133 1.00 0.00 H new ATOM 781 N ASP A 51 -0.765 -9.475 1.322 1.00 0.00 N ATOM 782 CA ASP A 51 -0.017 -8.939 2.441 1.00 0.00 C ATOM 783 C ASP A 51 -0.303 -7.473 2.636 1.00 0.00 C ATOM 784 O ASP A 51 -0.140 -6.658 1.726 1.00 0.00 O ATOM 785 CB ASP A 51 1.489 -9.167 2.319 1.00 0.00 C ATOM 786 CG ASP A 51 2.014 -10.010 3.464 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.700 -9.692 4.628 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.721 -11.007 3.208 1.00 0.00 O ATOM 0 H ASP A 51 -0.305 -9.415 0.413 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.356 -9.490 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.709 -9.660 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.004 -8.207 2.306 1.00 0.00 H new ATOM 793 N PHE A 52 -0.742 -7.162 3.837 1.00 0.00 N ATOM 794 CA PHE A 52 -1.119 -5.818 4.211 1.00 0.00 C ATOM 795 C PHE A 52 0.026 -5.103 4.907 1.00 0.00 C ATOM 796 O PHE A 52 0.466 -5.512 5.984 1.00 0.00 O ATOM 797 CB PHE A 52 -2.344 -5.853 5.129 1.00 0.00 C ATOM 798 CG PHE A 52 -2.408 -7.055 6.038 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.827 -7.027 7.296 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.060 -8.209 5.635 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.894 -8.125 8.130 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.132 -9.309 6.466 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.548 -9.267 7.714 1.00 0.00 C ATOM 0 H PHE A 52 -0.848 -7.844 4.588 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.363 -5.269 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.351 -4.950 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.244 -5.829 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.316 -6.135 7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.518 -8.249 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.435 -8.090 9.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.645 -10.201 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.602 -10.127 8.365 1.00 0.00 H new ATOM 813 N TYR A 53 0.514 -4.040 4.290 1.00 0.00 N ATOM 814 CA TYR A 53 1.536 -3.213 4.905 1.00 0.00 C ATOM 815 C TYR A 53 1.258 -1.747 4.638 1.00 0.00 C ATOM 816 O TYR A 53 0.641 -1.401 3.639 1.00 0.00 O ATOM 817 CB TYR A 53 2.930 -3.576 4.391 1.00 0.00 C ATOM 818 CG TYR A 53 3.385 -4.982 4.719 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.956 -5.277 5.950 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.258 -6.008 3.791 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.386 -6.556 6.248 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.688 -7.288 4.080 1.00 0.00 C ATOM 823 CZ TYR A 53 4.251 -7.556 5.310 1.00 0.00 C ATOM 824 OH TYR A 53 4.683 -8.831 5.603 1.00 0.00 O ATOM 0 H TYR A 53 0.219 -3.730 3.364 1.00 0.00 H new ATOM 0 HA TYR A 53 1.509 -3.397 5.979 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.947 -3.448 3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.650 -2.871 4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.066 -4.494 6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.816 -5.801 2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.825 -6.771 7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.584 -8.074 3.347 1.00 0.00 H new ATOM 0 HH TYR A 53 4.515 -9.418 4.836 1.00 0.00 H new ATOM 834 N LYS A 54 1.700 -0.895 5.546 1.00 0.00 N ATOM 835 CA LYS A 54 1.419 0.523 5.467 1.00 0.00 C ATOM 836 C LYS A 54 2.558 1.329 6.081 1.00 0.00 C ATOM 837 O LYS A 54 3.370 0.786 6.834 1.00 0.00 O ATOM 838 CB LYS A 54 0.104 0.815 6.186 1.00 0.00 C ATOM 839 CG LYS A 54 0.177 0.683 7.697 1.00 0.00 C ATOM 840 CD LYS A 54 -1.161 0.996 8.344 1.00 0.00 C ATOM 841 CE LYS A 54 -1.081 0.914 9.858 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.384 1.220 10.497 1.00 0.00 N ATOM 0 H LYS A 54 2.261 -1.167 6.354 1.00 0.00 H new ATOM 0 HA LYS A 54 1.329 0.815 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.217 1.826 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.661 0.136 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.483 -0.329 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.939 1.358 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.484 1.995 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.914 0.297 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.758 -0.085 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.326 1.612 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.288 1.153 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.680 2.183 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.099 0.539 10.171 1.00 0.00 H new ATOM 856 N LEU A 55 2.619 2.615 5.755 1.00 0.00 N ATOM 857 CA LEU A 55 3.653 3.484 6.277 1.00 0.00 C ATOM 858 C LEU A 55 3.215 4.944 6.179 1.00 0.00 C ATOM 859 O LEU A 55 2.518 5.333 5.237 1.00 0.00 O ATOM 860 CB LEU A 55 4.956 3.234 5.505 1.00 0.00 C ATOM 861 CG LEU A 55 6.139 4.141 5.852 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.450 3.416 5.603 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.085 5.407 5.017 1.00 0.00 C ATOM 0 H LEU A 55 1.959 3.075 5.128 1.00 0.00 H new ATOM 0 HA LEU A 55 3.826 3.265 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.258 2.200 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.747 3.338 4.440 1.00 0.00 H new ATOM 0 HG LEU A 55 6.078 4.405 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.283 4.073 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.494 2.521 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.515 3.133 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.931 6.046 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.131 5.147 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.155 5.938 5.221 1.00 0.00 H new ATOM 875 N ASP A 56 3.622 5.738 7.161 1.00 0.00 N ATOM 876 CA ASP A 56 3.334 7.168 7.175 1.00 0.00 C ATOM 877 C ASP A 56 4.460 7.935 6.493 1.00 0.00 C ATOM 878 O ASP A 56 5.601 7.927 6.959 1.00 0.00 O ATOM 879 CB ASP A 56 3.153 7.654 8.617 1.00 0.00 C ATOM 880 CG ASP A 56 2.966 9.159 8.738 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.573 9.811 7.746 1.00 0.00 O ATOM 882 OD2 ASP A 56 3.192 9.695 9.844 1.00 0.00 O ATOM 0 H ASP A 56 4.158 5.413 7.966 1.00 0.00 H new ATOM 0 HA ASP A 56 2.409 7.349 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.289 7.153 9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.023 7.357 9.203 1.00 0.00 H new ATOM 887 N VAL A 57 4.130 8.594 5.386 1.00 0.00 N ATOM 888 CA VAL A 57 5.112 9.325 4.592 1.00 0.00 C ATOM 889 C VAL A 57 5.712 10.474 5.396 1.00 0.00 C ATOM 890 O VAL A 57 6.821 10.927 5.121 1.00 0.00 O ATOM 891 CB VAL A 57 4.478 9.890 3.302 1.00 0.00 C ATOM 892 CG1 VAL A 57 5.542 10.486 2.392 1.00 0.00 C ATOM 893 CG2 VAL A 57 3.686 8.813 2.577 1.00 0.00 C ATOM 0 H VAL A 57 3.180 8.636 5.016 1.00 0.00 H new ATOM 0 HA VAL A 57 5.899 8.620 4.323 1.00 0.00 H new ATOM 0 HB VAL A 57 3.790 10.687 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.072 10.877 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.056 11.294 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.262 9.714 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.248 9.232 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.349 7.990 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.893 8.445 3.227 1.00 0.00 H new ATOM 903 N ASP A 58 4.978 10.935 6.403 1.00 0.00 N ATOM 904 CA ASP A 58 5.464 12.006 7.261 1.00 0.00 C ATOM 905 C ASP A 58 6.638 11.507 8.091 1.00 0.00 C ATOM 906 O ASP A 58 7.585 12.243 8.368 1.00 0.00 O ATOM 907 CB ASP A 58 4.347 12.517 8.171 1.00 0.00 C ATOM 908 CG ASP A 58 4.776 13.709 9.002 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.199 14.727 8.418 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.697 13.634 10.246 1.00 0.00 O ATOM 0 H ASP A 58 4.050 10.586 6.643 1.00 0.00 H new ATOM 0 HA ASP A 58 5.797 12.834 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.485 12.793 7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.026 11.713 8.833 1.00 0.00 H new ATOM 915 N GLU A 59 6.573 10.239 8.461 1.00 0.00 N ATOM 916 CA GLU A 59 7.640 9.606 9.216 1.00 0.00 C ATOM 917 C GLU A 59 8.801 9.223 8.307 1.00 0.00 C ATOM 918 O GLU A 59 9.962 9.412 8.664 1.00 0.00 O ATOM 919 CB GLU A 59 7.116 8.364 9.936 1.00 0.00 C ATOM 920 CG GLU A 59 6.188 8.676 11.096 1.00 0.00 C ATOM 921 CD GLU A 59 6.895 9.400 12.223 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.857 8.832 12.780 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.484 10.529 12.568 1.00 0.00 O ATOM 0 H GLU A 59 5.787 9.625 8.249 1.00 0.00 H new ATOM 0 HA GLU A 59 8.000 10.324 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.588 7.735 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.962 7.785 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.358 9.287 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.761 7.748 11.476 1.00 0.00 H new ATOM 930 N LEU A 60 8.491 8.688 7.129 1.00 0.00 N ATOM 931 CA LEU A 60 9.527 8.217 6.217 1.00 0.00 C ATOM 932 C LEU A 60 9.252 8.639 4.770 1.00 0.00 C ATOM 933 O LEU A 60 8.802 7.840 3.936 1.00 0.00 O ATOM 934 CB LEU A 60 9.651 6.697 6.323 1.00 0.00 C ATOM 935 CG LEU A 60 10.176 6.182 7.667 1.00 0.00 C ATOM 936 CD1 LEU A 60 10.034 4.674 7.755 1.00 0.00 C ATOM 937 CD2 LEU A 60 11.631 6.586 7.863 1.00 0.00 C ATOM 0 H LEU A 60 7.538 8.571 6.786 1.00 0.00 H new ATOM 0 HA LEU A 60 10.470 8.679 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.672 6.254 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.314 6.346 5.532 1.00 0.00 H new ATOM 0 HG LEU A 60 9.580 6.633 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.413 4.328 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.983 4.401 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.604 4.207 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.986 6.211 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.237 6.163 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.712 7.673 7.845 1.00 0.00 H new ATOM 949 N GLY A 61 9.554 9.900 4.476 1.00 0.00 N ATOM 950 CA GLY A 61 9.347 10.434 3.144 1.00 0.00 C ATOM 951 C GLY A 61 10.297 9.835 2.126 1.00 0.00 C ATOM 952 O GLY A 61 9.940 9.670 0.958 1.00 0.00 O ATOM 0 H GLY A 61 9.942 10.566 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.320 10.242 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.477 11.516 3.165 1.00 0.00 H new ATOM 956 N ASP A 62 11.507 9.506 2.570 1.00 0.00 N ATOM 957 CA ASP A 62 12.506 8.871 1.709 1.00 0.00 C ATOM 958 C ASP A 62 12.014 7.530 1.205 1.00 0.00 C ATOM 959 O ASP A 62 12.255 7.155 0.058 1.00 0.00 O ATOM 960 CB ASP A 62 13.825 8.697 2.462 1.00 0.00 C ATOM 961 CG ASP A 62 14.804 7.801 1.728 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.404 8.257 0.732 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.976 6.636 2.145 1.00 0.00 O ATOM 0 H ASP A 62 11.823 9.669 3.526 1.00 0.00 H new ATOM 0 HA ASP A 62 12.672 9.521 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.281 9.675 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.623 8.277 3.448 1.00 0.00 H new ATOM 968 N VAL A 63 11.304 6.824 2.060 1.00 0.00 N ATOM 969 CA VAL A 63 10.727 5.549 1.686 1.00 0.00 C ATOM 970 C VAL A 63 9.697 5.750 0.592 1.00 0.00 C ATOM 971 O VAL A 63 9.739 5.066 -0.421 1.00 0.00 O ATOM 972 CB VAL A 63 10.070 4.846 2.880 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.450 3.530 2.443 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.082 4.608 3.987 1.00 0.00 C ATOM 0 H VAL A 63 11.112 7.111 3.020 1.00 0.00 H new ATOM 0 HA VAL A 63 11.538 4.916 1.326 1.00 0.00 H new ATOM 0 HB VAL A 63 9.283 5.493 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.988 3.043 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.693 3.719 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.224 2.882 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.595 4.108 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.891 3.982 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.488 5.563 4.321 1.00 0.00 H new ATOM 984 N ALA A 64 8.788 6.703 0.788 1.00 0.00 N ATOM 985 CA ALA A 64 7.810 7.036 -0.237 1.00 0.00 C ATOM 986 C ALA A 64 8.489 7.312 -1.576 1.00 0.00 C ATOM 987 O ALA A 64 8.000 6.899 -2.628 1.00 0.00 O ATOM 988 CB ALA A 64 6.989 8.234 0.194 1.00 0.00 C ATOM 0 H ALA A 64 8.711 7.254 1.643 1.00 0.00 H new ATOM 0 HA ALA A 64 7.148 6.180 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.261 8.474 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.468 8.003 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.647 9.089 0.350 1.00 0.00 H new ATOM 994 N GLN A 65 9.642 7.968 -1.523 1.00 0.00 N ATOM 995 CA GLN A 65 10.382 8.306 -2.739 1.00 0.00 C ATOM 996 C GLN A 65 10.974 7.052 -3.366 1.00 0.00 C ATOM 997 O GLN A 65 11.061 6.934 -4.588 1.00 0.00 O ATOM 998 CB GLN A 65 11.495 9.311 -2.438 1.00 0.00 C ATOM 999 CG GLN A 65 10.997 10.632 -1.877 1.00 0.00 C ATOM 1000 CD GLN A 65 12.120 11.620 -1.612 1.00 0.00 C ATOM 1001 OE1 GLN A 65 11.928 12.832 -1.696 1.00 0.00 O ATOM 1002 NE2 GLN A 65 13.301 11.112 -1.294 1.00 0.00 N ATOM 0 H GLN A 65 10.085 8.276 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 65 9.684 8.760 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.191 8.865 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.054 9.504 -3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.288 11.074 -2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.456 10.447 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.422 10.101 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.090 11.732 -1.109 1.00 0.00 H new ATOM 1011 N LYS A 66 11.366 6.115 -2.515 1.00 0.00 N ATOM 1012 CA LYS A 66 11.884 4.837 -2.944 1.00 0.00 C ATOM 1013 C LYS A 66 10.833 4.052 -3.744 1.00 0.00 C ATOM 1014 O LYS A 66 11.171 3.224 -4.591 1.00 0.00 O ATOM 1015 CB LYS A 66 12.338 4.059 -1.694 1.00 0.00 C ATOM 1016 CG LYS A 66 12.031 2.578 -1.730 1.00 0.00 C ATOM 1017 CD LYS A 66 13.015 1.809 -2.597 1.00 0.00 C ATOM 1018 CE LYS A 66 12.512 0.407 -2.903 1.00 0.00 C ATOM 1019 NZ LYS A 66 11.261 0.435 -3.710 1.00 0.00 N ATOM 0 H LYS A 66 11.331 6.227 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 66 12.733 4.986 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.413 4.191 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.860 4.495 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.054 2.179 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.020 2.427 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.179 2.349 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.978 1.748 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.281 -0.146 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.331 -0.127 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.337 -0.247 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.453 0.182 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.119 1.390 -4.097 1.00 0.00 H new ATOM 1033 N ASN A 67 9.559 4.331 -3.494 1.00 0.00 N ATOM 1034 CA ASN A 67 8.483 3.530 -4.050 1.00 0.00 C ATOM 1035 C ASN A 67 7.759 4.261 -5.156 1.00 0.00 C ATOM 1036 O ASN A 67 6.962 3.661 -5.875 1.00 0.00 O ATOM 1037 CB ASN A 67 7.473 3.225 -2.970 1.00 0.00 C ATOM 1038 CG ASN A 67 8.101 2.813 -1.672 1.00 0.00 C ATOM 1039 OD1 ASN A 67 9.039 2.017 -1.634 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.614 3.403 -0.602 1.00 0.00 N ATOM 0 H ASN A 67 9.249 5.107 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 67 8.928 2.619 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.853 4.106 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.811 2.430 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.016 3.208 0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.835 4.055 -0.689 1.00 0.00 H new ATOM 1047 N GLU A 68 8.024 5.562 -5.250 1.00 0.00 N ATOM 1048 CA GLU A 68 7.389 6.430 -6.233 1.00 0.00 C ATOM 1049 C GLU A 68 5.983 6.836 -5.777 1.00 0.00 C ATOM 1050 O GLU A 68 5.078 7.049 -6.584 1.00 0.00 O ATOM 1051 CB GLU A 68 7.355 5.757 -7.608 1.00 0.00 C ATOM 1052 CG GLU A 68 6.965 6.680 -8.752 1.00 0.00 C ATOM 1053 CD GLU A 68 7.817 7.929 -8.799 1.00 0.00 C ATOM 1054 OE1 GLU A 68 9.036 7.819 -9.047 1.00 0.00 O ATOM 1055 OE2 GLU A 68 7.274 9.032 -8.579 1.00 0.00 O ATOM 0 H GLU A 68 8.688 6.043 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 68 7.984 7.339 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.338 5.336 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.652 4.924 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.058 6.144 -9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.917 6.962 -8.647 1.00 0.00 H new ATOM 1062 N VAL A 69 5.803 6.939 -4.470 1.00 0.00 N ATOM 1063 CA VAL A 69 4.571 7.482 -3.916 1.00 0.00 C ATOM 1064 C VAL A 69 4.814 8.886 -3.372 1.00 0.00 C ATOM 1065 O VAL A 69 5.581 9.079 -2.430 1.00 0.00 O ATOM 1066 CB VAL A 69 3.939 6.567 -2.829 1.00 0.00 C ATOM 1067 CG1 VAL A 69 4.988 5.845 -1.999 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.022 7.372 -1.919 1.00 0.00 C ATOM 0 H VAL A 69 6.492 6.655 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 69 3.848 7.531 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 69 3.356 5.810 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.496 5.219 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.601 5.221 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.621 6.576 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.589 6.715 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.595 8.159 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.224 7.820 -2.511 1.00 0.00 H new ATOM 1078 N SER A 70 4.175 9.866 -3.990 1.00 0.00 N ATOM 1079 CA SER A 70 4.349 11.254 -3.595 1.00 0.00 C ATOM 1080 C SER A 70 3.019 11.869 -3.167 1.00 0.00 C ATOM 1081 O SER A 70 2.991 12.893 -2.483 1.00 0.00 O ATOM 1082 CB SER A 70 4.958 12.051 -4.755 1.00 0.00 C ATOM 1083 OG SER A 70 5.264 13.382 -4.372 1.00 0.00 O ATOM 0 H SER A 70 3.530 9.726 -4.768 1.00 0.00 H new ATOM 0 HA SER A 70 5.026 11.291 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.864 11.554 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.261 12.064 -5.593 1.00 0.00 H new ATOM 0 HG SER A 70 5.652 13.861 -5.134 1.00 0.00 H new ATOM 1089 N ALA A 71 1.920 11.247 -3.573 1.00 0.00 N ATOM 1090 CA ALA A 71 0.597 11.750 -3.241 1.00 0.00 C ATOM 1091 C ALA A 71 0.020 11.003 -2.049 1.00 0.00 C ATOM 1092 O ALA A 71 0.422 9.876 -1.758 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.329 11.633 -4.441 1.00 0.00 C ATOM 0 H ALA A 71 1.920 10.394 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 71 0.687 12.802 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.316 12.013 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.075 12.214 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.410 10.587 -4.737 1.00 0.00 H new ATOM 1099 N MET A 72 -0.913 11.632 -1.351 1.00 0.00 N ATOM 1100 CA MET A 72 -1.561 10.998 -0.216 1.00 0.00 C ATOM 1101 C MET A 72 -3.073 11.043 -0.375 1.00 0.00 C ATOM 1102 O MET A 72 -3.645 12.107 -0.608 1.00 0.00 O ATOM 1103 CB MET A 72 -1.171 11.673 1.106 1.00 0.00 C ATOM 1104 CG MET A 72 0.310 11.607 1.434 1.00 0.00 C ATOM 1105 SD MET A 72 1.282 12.846 0.560 1.00 0.00 S ATOM 1106 CE MET A 72 2.915 12.474 1.188 1.00 0.00 C ATOM 0 H MET A 72 -1.237 12.578 -1.551 1.00 0.00 H new ATOM 0 HA MET A 72 -1.225 9.962 -0.188 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.476 12.719 1.069 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.731 11.206 1.917 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.445 11.739 2.508 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.688 10.615 1.185 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.632 12.484 0.367 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.200 13.222 1.927 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.910 11.488 1.653 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.748 9.893 -0.250 1.00 0.00 N ATOM 1117 CA PRO A 73 -3.116 8.606 0.014 1.00 0.00 C ATOM 1118 C PRO A 73 -2.720 7.870 -1.270 1.00 0.00 C ATOM 1119 O PRO A 73 -3.173 8.220 -2.359 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.207 7.837 0.765 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.503 8.557 0.511 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.201 9.758 -0.350 1.00 0.00 C ATOM 0 HA PRO A 73 -2.184 8.711 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.263 6.806 0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.988 7.800 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.215 7.899 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.959 8.866 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.520 9.603 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.713 10.650 0.011 1.00 0.00 H new ATOM 1130 N THR A 74 -1.865 6.861 -1.132 1.00 0.00 N ATOM 1131 CA THR A 74 -1.405 6.071 -2.269 1.00 0.00 C ATOM 1132 C THR A 74 -1.284 4.598 -1.906 1.00 0.00 C ATOM 1133 O THR A 74 -0.721 4.237 -0.873 1.00 0.00 O ATOM 1134 CB THR A 74 -0.040 6.579 -2.785 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.189 7.868 -3.391 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.593 5.606 -3.779 1.00 0.00 C ATOM 0 H THR A 74 -1.474 6.570 -0.236 1.00 0.00 H new ATOM 0 HA THR A 74 -2.150 6.183 -3.056 1.00 0.00 H new ATOM 0 HB THR A 74 0.626 6.655 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.189 8.558 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.551 6.002 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.749 4.642 -3.295 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.069 5.479 -4.636 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.836 3.757 -2.757 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.680 2.324 -2.633 1.00 0.00 C ATOM 1146 C LEU A 75 -0.653 1.839 -3.636 1.00 0.00 C ATOM 1147 O LEU A 75 -0.680 2.257 -4.794 1.00 0.00 O ATOM 1148 CB LEU A 75 -2.989 1.610 -2.935 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.173 1.936 -2.036 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.118 2.926 -2.713 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -4.894 0.651 -1.681 1.00 0.00 C ATOM 0 H LEU A 75 -2.404 4.048 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.367 2.107 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.271 1.838 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.810 0.536 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.811 2.408 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.955 3.142 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.582 3.849 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.493 2.495 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.744 0.877 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.247 0.168 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.210 -0.018 -1.158 1.00 0.00 H new ATOM 1163 N LEU A 76 0.245 0.971 -3.216 1.00 0.00 N ATOM 1164 CA LEU A 76 1.149 0.341 -4.155 1.00 0.00 C ATOM 1165 C LEU A 76 1.067 -1.174 -4.042 1.00 0.00 C ATOM 1166 O LEU A 76 1.419 -1.758 -3.018 1.00 0.00 O ATOM 1167 CB LEU A 76 2.587 0.828 -3.955 1.00 0.00 C ATOM 1168 CG LEU A 76 3.212 1.463 -5.202 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.578 2.060 -4.882 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.311 0.432 -6.322 1.00 0.00 C ATOM 0 H LEU A 76 0.367 0.689 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 76 0.842 0.627 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.603 1.555 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.204 -0.014 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 76 2.569 2.276 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.001 2.504 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.469 2.827 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.242 1.276 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.756 0.894 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.933 -0.401 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.314 0.066 -6.569 1.00 0.00 H new ATOM 1182 N LEU A 77 0.568 -1.790 -5.101 1.00 0.00 N ATOM 1183 CA LEU A 77 0.470 -3.236 -5.200 1.00 0.00 C ATOM 1184 C LEU A 77 1.706 -3.750 -5.911 1.00 0.00 C ATOM 1185 O LEU A 77 2.071 -3.245 -6.977 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.773 -3.658 -6.007 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.158 -3.494 -5.352 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.330 -2.134 -4.690 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.227 -3.682 -6.413 1.00 0.00 C ATOM 0 H LEU A 77 0.217 -1.297 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 77 0.387 -3.651 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.775 -3.089 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.654 -4.708 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.251 -4.247 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.322 -2.069 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.574 -2.009 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.217 -1.349 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.212 -3.568 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.098 -2.934 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.139 -4.679 -6.845 1.00 0.00 H new ATOM 1201 N PHE A 78 2.349 -4.740 -5.334 1.00 0.00 N ATOM 1202 CA PHE A 78 3.523 -5.334 -5.943 1.00 0.00 C ATOM 1203 C PHE A 78 3.384 -6.847 -6.018 1.00 0.00 C ATOM 1204 O PHE A 78 2.645 -7.443 -5.230 1.00 0.00 O ATOM 1205 CB PHE A 78 4.770 -5.011 -5.134 1.00 0.00 C ATOM 1206 CG PHE A 78 5.345 -3.646 -5.374 1.00 0.00 C ATOM 1207 CD1 PHE A 78 6.283 -3.442 -6.374 1.00 0.00 C ATOM 1208 CD2 PHE A 78 4.972 -2.577 -4.589 1.00 0.00 C ATOM 1209 CE1 PHE A 78 6.836 -2.196 -6.584 1.00 0.00 C ATOM 1210 CE2 PHE A 78 5.519 -1.331 -4.796 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.452 -1.138 -5.792 1.00 0.00 C ATOM 0 H PHE A 78 2.080 -5.153 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 78 3.613 -4.920 -6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.533 -5.108 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.534 -5.755 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.585 -4.270 -6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.244 -2.718 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.567 -2.051 -7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.216 -0.501 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.880 -0.159 -5.950 1.00 0.00 H new ATOM 1221 N LYS A 79 4.081 -7.468 -6.963 1.00 0.00 N ATOM 1222 CA LYS A 79 4.241 -8.912 -6.945 1.00 0.00 C ATOM 1223 C LYS A 79 5.700 -9.285 -7.208 1.00 0.00 C ATOM 1224 O LYS A 79 6.287 -8.855 -8.201 1.00 0.00 O ATOM 1225 CB LYS A 79 3.334 -9.579 -7.973 1.00 0.00 C ATOM 1226 CG LYS A 79 3.348 -11.097 -7.887 1.00 0.00 C ATOM 1227 CD LYS A 79 2.518 -11.729 -8.988 1.00 0.00 C ATOM 1228 CE LYS A 79 2.644 -13.244 -8.981 1.00 0.00 C ATOM 1229 NZ LYS A 79 4.045 -13.694 -9.215 1.00 0.00 N ATOM 0 H LYS A 79 4.539 -6.997 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 79 3.954 -9.271 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.313 -9.223 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.644 -9.275 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.375 -11.456 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.964 -11.410 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.472 -11.449 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.838 -11.341 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.295 -13.631 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.996 -13.664 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.079 -14.296 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.657 -12.865 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.378 -14.236 -8.392 1.00 0.00 H new ATOM 1243 N ASN A 80 6.268 -10.073 -6.291 1.00 0.00 N ATOM 1244 CA ASN A 80 7.648 -10.592 -6.378 1.00 0.00 C ATOM 1245 C ASN A 80 8.680 -9.526 -6.759 1.00 0.00 C ATOM 1246 O ASN A 80 9.519 -9.737 -7.636 1.00 0.00 O ATOM 1247 CB ASN A 80 7.755 -11.814 -7.316 1.00 0.00 C ATOM 1248 CG ASN A 80 7.298 -11.577 -8.748 1.00 0.00 C ATOM 1249 OD1 ASN A 80 6.124 -11.745 -9.073 1.00 0.00 O ATOM 1250 ND2 ASN A 80 8.225 -11.211 -9.618 1.00 0.00 N ATOM 0 H ASN A 80 5.778 -10.377 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 80 7.891 -10.917 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.792 -12.148 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.165 -12.628 -6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.976 -11.059 -10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.189 -11.081 -9.312 1.00 0.00 H new ATOM 1257 N GLY A 81 8.638 -8.394 -6.073 1.00 0.00 N ATOM 1258 CA GLY A 81 9.620 -7.348 -6.303 1.00 0.00 C ATOM 1259 C GLY A 81 9.291 -6.487 -7.504 1.00 0.00 C ATOM 1260 O GLY A 81 10.009 -5.536 -7.808 1.00 0.00 O ATOM 0 H GLY A 81 7.942 -8.178 -5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.686 -6.717 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.601 -7.802 -6.445 1.00 0.00 H new ATOM 1264 N LYS A 82 8.208 -6.813 -8.186 1.00 0.00 N ATOM 1265 CA LYS A 82 7.771 -6.038 -9.329 1.00 0.00 C ATOM 1266 C LYS A 82 6.439 -5.418 -8.984 1.00 0.00 C ATOM 1267 O LYS A 82 5.777 -5.881 -8.068 1.00 0.00 O ATOM 1268 CB LYS A 82 7.633 -6.922 -10.574 1.00 0.00 C ATOM 1269 CG LYS A 82 8.820 -7.844 -10.811 1.00 0.00 C ATOM 1270 CD LYS A 82 8.792 -8.456 -12.204 1.00 0.00 C ATOM 1271 CE LYS A 82 7.503 -9.219 -12.472 1.00 0.00 C ATOM 1272 NZ LYS A 82 7.524 -9.895 -13.796 1.00 0.00 N ATOM 0 H LYS A 82 7.614 -7.613 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 82 8.508 -5.268 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.730 -7.525 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.501 -6.284 -11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.746 -7.285 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.817 -8.639 -10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.906 -7.667 -12.948 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.641 -9.129 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.351 -9.961 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.658 -8.531 -12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.628 -10.403 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.644 -9.185 -14.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.314 -10.570 -13.829 1.00 0.00 H new ATOM 1286 N GLU A 83 6.043 -4.377 -9.684 1.00 0.00 N ATOM 1287 CA GLU A 83 4.760 -3.752 -9.423 1.00 0.00 C ATOM 1288 C GLU A 83 3.637 -4.667 -9.913 1.00 0.00 C ATOM 1289 O GLU A 83 3.892 -5.792 -10.349 1.00 0.00 O ATOM 1290 CB GLU A 83 4.705 -2.387 -10.125 1.00 0.00 C ATOM 1291 CG GLU A 83 3.581 -1.479 -9.645 1.00 0.00 C ATOM 1292 CD GLU A 83 3.678 -0.080 -10.216 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.541 0.694 -9.755 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.900 0.246 -11.140 1.00 0.00 O ATOM 0 H GLU A 83 6.585 -3.946 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 83 4.632 -3.595 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.657 -1.877 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.593 -2.548 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.622 -1.916 -9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.602 -1.425 -8.557 1.00 0.00 H new ATOM 1301 N VAL A 84 2.406 -4.220 -9.732 1.00 0.00 N ATOM 1302 CA VAL A 84 1.254 -4.774 -10.424 1.00 0.00 C ATOM 1303 C VAL A 84 0.195 -3.693 -10.593 1.00 0.00 C ATOM 1304 O VAL A 84 -0.527 -3.672 -11.589 1.00 0.00 O ATOM 1305 CB VAL A 84 0.633 -6.003 -9.726 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.294 -7.295 -10.176 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.733 -5.870 -8.228 1.00 0.00 C ATOM 0 H VAL A 84 2.176 -3.457 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 84 1.615 -5.123 -11.391 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.418 -6.043 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.831 -8.138 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.169 -7.412 -11.253 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.357 -7.263 -9.935 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.290 -6.746 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.781 -5.792 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.201 -4.975 -7.906 1.00 0.00 H new ATOM 1317 N ALA A 85 0.124 -2.781 -9.620 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.805 -1.655 -9.682 1.00 0.00 C ATOM 1319 C ALA A 85 -0.551 -0.655 -8.560 1.00 0.00 C ATOM 1320 O ALA A 85 -0.256 -1.041 -7.441 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.242 -2.149 -9.627 1.00 0.00 C ATOM 0 H ALA A 85 0.701 -2.803 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.639 -1.144 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.921 -1.298 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.431 -2.812 -10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.405 -2.692 -8.696 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.655 0.631 -8.865 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.563 1.664 -7.840 1.00 0.00 C ATOM 1329 C LYS A 86 -1.663 2.697 -8.044 1.00 0.00 C ATOM 1330 O LYS A 86 -1.941 3.106 -9.173 1.00 0.00 O ATOM 1331 CB LYS A 86 0.817 2.336 -7.840 1.00 0.00 C ATOM 1332 CG LYS A 86 1.120 3.164 -9.075 1.00 0.00 C ATOM 1333 CD LYS A 86 2.489 3.814 -8.979 1.00 0.00 C ATOM 1334 CE LYS A 86 2.754 4.742 -10.151 1.00 0.00 C ATOM 1335 NZ LYS A 86 1.799 5.884 -10.187 1.00 0.00 N ATOM 0 H LYS A 86 -0.803 0.984 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.695 1.190 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.894 2.977 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.581 1.565 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.077 2.530 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.357 3.933 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.561 4.375 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.257 3.041 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.773 5.124 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.682 4.180 -11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.167 6.625 -10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.878 5.555 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.684 6.271 -9.229 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.308 3.096 -6.957 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.440 4.010 -7.036 1.00 0.00 C ATOM 1351 C VAL A 87 -3.301 5.129 -6.017 1.00 0.00 C ATOM 1352 O VAL A 87 -3.174 4.878 -4.820 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.788 3.287 -6.816 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.947 4.251 -7.018 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.925 2.089 -7.746 1.00 0.00 C ATOM 0 H VAL A 87 -2.068 2.802 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.435 4.427 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.812 2.922 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.889 3.726 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.865 5.073 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.919 4.646 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.883 1.599 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.875 2.425 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.116 1.384 -7.553 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.335 6.359 -6.494 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.228 7.517 -5.621 1.00 0.00 C ATOM 1367 C VAL A 88 -4.600 7.953 -5.106 1.00 0.00 C ATOM 1368 O VAL A 88 -5.030 9.088 -5.322 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.534 8.699 -6.334 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.044 8.435 -6.469 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.152 8.949 -7.705 1.00 0.00 C ATOM 0 H VAL A 88 -3.436 6.584 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.616 7.219 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.680 9.592 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.570 9.277 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.605 8.311 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.887 7.527 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.645 9.786 -8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.043 8.057 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.210 9.183 -7.590 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.292 7.048 -4.427 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.582 7.376 -3.871 1.00 0.00 C ATOM 1383 C GLY A 89 -7.389 6.142 -3.551 1.00 0.00 C ATOM 1384 O GLY A 89 -7.402 5.185 -4.324 1.00 0.00 O ATOM 0 H GLY A 89 -4.979 6.093 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.447 7.966 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.134 7.997 -4.577 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.042 6.148 -2.402 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.889 5.046 -2.006 1.00 0.00 C ATOM 1390 C ALA A 90 -10.115 4.963 -2.882 1.00 0.00 C ATOM 1391 O ALA A 90 -10.912 5.900 -2.950 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.311 5.202 -0.567 1.00 0.00 C ATOM 0 H ALA A 90 -7.999 6.911 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.315 4.126 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.949 4.365 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.428 5.219 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.862 6.135 -0.449 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.248 3.856 -3.569 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.429 3.599 -4.353 1.00 0.00 C ATOM 1400 C ASN A 91 -12.131 2.371 -3.789 1.00 0.00 C ATOM 1401 O ASN A 91 -11.848 1.258 -4.218 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.042 3.373 -5.810 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.070 3.933 -6.772 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -11.742 4.305 -7.899 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.318 4.013 -6.335 1.00 0.00 N ATOM 0 H ASN A 91 -9.548 3.115 -3.601 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.104 4.454 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.076 3.838 -6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.923 2.305 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.047 4.393 -6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.550 3.694 -5.394 1.00 0.00 H new ATOM 1412 N PRO A 92 -13.055 2.577 -2.825 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.685 1.532 -2.015 1.00 0.00 C ATOM 1414 C PRO A 92 -13.677 0.129 -2.626 1.00 0.00 C ATOM 1415 O PRO A 92 -12.816 -0.684 -2.297 1.00 0.00 O ATOM 1416 CB PRO A 92 -15.104 2.067 -1.862 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.962 3.560 -1.877 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.585 3.886 -2.420 1.00 0.00 C ATOM 0 HA PRO A 92 -13.143 1.370 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.745 1.724 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.557 1.723 -0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.735 4.012 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.083 3.966 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.639 4.575 -3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.957 4.356 -1.664 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.604 -0.147 -3.529 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.750 -1.493 -4.068 1.00 0.00 C ATOM 1428 C ALA A 93 -13.790 -1.750 -5.221 1.00 0.00 C ATOM 1429 O ALA A 93 -13.380 -2.886 -5.452 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.185 -1.733 -4.505 1.00 0.00 C ATOM 0 H ALA A 93 -15.263 0.536 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.498 -2.195 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.279 -2.742 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.850 -1.619 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.457 -1.010 -5.275 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.419 -0.694 -5.930 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.536 -0.825 -7.083 1.00 0.00 C ATOM 1438 C ALA A 94 -11.142 -1.262 -6.658 1.00 0.00 C ATOM 1439 O ALA A 94 -10.482 -2.016 -7.368 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.468 0.480 -7.858 1.00 0.00 C ATOM 0 H ALA A 94 -13.714 0.262 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.950 -1.595 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.804 0.361 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.465 0.748 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.086 1.269 -7.210 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.703 -0.799 -5.495 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.396 -1.174 -4.977 1.00 0.00 C ATOM 1448 C ILE A 95 -9.414 -2.617 -4.507 1.00 0.00 C ATOM 1449 O ILE A 95 -8.527 -3.399 -4.843 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.937 -0.262 -3.819 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.692 1.161 -4.317 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.680 -0.816 -3.173 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.681 1.254 -5.439 1.00 0.00 C ATOM 0 H ILE A 95 -11.231 -0.165 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.684 -1.055 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.730 -0.234 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.637 1.584 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.351 1.774 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.370 -0.161 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.882 -1.813 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.884 -0.873 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.563 2.296 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.722 0.863 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.029 0.670 -6.291 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.450 -2.973 -3.758 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.603 -4.334 -3.262 1.00 0.00 C ATOM 1467 C LYS A 96 -10.782 -5.296 -4.434 1.00 0.00 C ATOM 1468 O LYS A 96 -10.533 -6.493 -4.318 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.796 -4.426 -2.312 1.00 0.00 C ATOM 1470 CG LYS A 96 -11.805 -3.352 -1.240 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.124 -3.346 -0.490 1.00 0.00 C ATOM 1472 CE LYS A 96 -13.236 -2.157 0.446 1.00 0.00 C ATOM 1473 NZ LYS A 96 -14.589 -2.066 1.057 1.00 0.00 N ATOM 0 H LYS A 96 -11.198 -2.337 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.704 -4.611 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.717 -4.357 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.793 -5.405 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.986 -3.523 -0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.637 -2.376 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.948 -3.325 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.221 -4.269 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.486 -2.241 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.022 -1.240 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.561 -1.414 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.266 -1.712 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.888 -3.008 1.381 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.238 -4.764 -5.559 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.295 -5.530 -6.792 1.00 0.00 C ATOM 1489 C GLN A 97 -9.926 -5.571 -7.459 1.00 0.00 C ATOM 1490 O GLN A 97 -9.557 -6.574 -8.065 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.310 -4.928 -7.770 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.436 -5.732 -9.057 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.878 -4.908 -10.252 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.563 -5.411 -11.143 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.462 -3.650 -10.304 1.00 0.00 N ATOM 0 H GLN A 97 -11.574 -3.804 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.607 -6.542 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.285 -4.871 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.014 -3.907 -8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.475 -6.194 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.150 -6.541 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.896 -3.268 -9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.708 -3.064 -11.102 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.164 -4.493 -7.319 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.891 -4.373 -8.006 1.00 0.00 C ATOM 1506 C ALA A 98 -6.926 -5.381 -7.445 1.00 0.00 C ATOM 1507 O ALA A 98 -6.355 -6.184 -8.165 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.337 -2.965 -7.876 1.00 0.00 C ATOM 0 H ALA A 98 -9.408 -3.692 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.038 -4.572 -9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.383 -2.900 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.040 -2.256 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.190 -2.728 -6.822 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.786 -5.350 -6.144 1.00 0.00 N ATOM 1515 CA ILE A 99 -5.922 -6.270 -5.433 1.00 0.00 C ATOM 1516 C ILE A 99 -6.206 -7.722 -5.821 1.00 0.00 C ATOM 1517 O ILE A 99 -5.282 -8.502 -6.050 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.096 -6.083 -3.929 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.827 -4.625 -3.591 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.156 -7.004 -3.180 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -6.680 -4.115 -2.472 1.00 0.00 C ATOM 0 H ILE A 99 -7.269 -4.684 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.891 -6.050 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.113 -6.337 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.777 -4.508 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.999 -4.015 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.287 -6.864 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.377 -8.039 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.126 -6.773 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.440 -3.069 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.731 -4.201 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.491 -4.702 -1.573 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.486 -8.067 -5.937 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.878 -9.415 -6.330 1.00 0.00 C ATOM 1535 C ALA A 100 -7.557 -9.670 -7.804 1.00 0.00 C ATOM 1536 O ALA A 100 -7.324 -10.806 -8.211 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.358 -9.630 -6.061 1.00 0.00 C ATOM 0 H ALA A 100 -8.266 -7.433 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.307 -10.126 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.639 -10.640 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.558 -9.496 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.940 -8.908 -6.633 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.536 -8.602 -8.591 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.239 -8.687 -10.017 1.00 0.00 C ATOM 1545 C ALA A 101 -5.744 -8.875 -10.267 1.00 0.00 C ATOM 1546 O ALA A 101 -5.342 -9.583 -11.190 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.729 -7.431 -10.729 1.00 0.00 C ATOM 0 H ALA A 101 -7.724 -7.655 -8.261 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.760 -9.558 -10.415 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.503 -7.504 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.806 -7.332 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.229 -6.557 -10.311 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.928 -8.231 -9.442 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.475 -8.261 -9.606 1.00 0.00 C ATOM 1555 C ASN A 102 -2.875 -9.504 -8.969 1.00 0.00 C ATOM 1556 O ASN A 102 -1.775 -9.924 -9.326 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.844 -7.003 -9.005 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.305 -5.743 -9.708 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.758 -5.351 -10.735 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.302 -5.088 -9.141 1.00 0.00 N ATOM 0 H ASN A 102 -5.248 -7.678 -8.647 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.259 -8.290 -10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.098 -6.941 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.758 -7.077 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.645 -4.222 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.729 -5.448 -8.288 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.607 -10.086 -8.029 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.173 -11.302 -7.358 1.00 0.00 C ATOM 1569 C ALA A 103 -3.160 -12.481 -8.326 1.00 0.00 C ATOM 1570 O ALA A 103 -2.059 -12.953 -8.679 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.069 -11.597 -6.165 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.251 -12.920 -8.749 1.00 0.00 O ATOM 0 H ALA A 103 -4.510 -9.732 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.156 -11.150 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.732 -12.510 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.022 -10.767 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.097 -11.727 -6.505 1.00 0.00 H new