USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 65 LYS NZ :NH3+ 139:sc= -1.41! (180deg=-4.29!) USER MOD Set 1.2: A 83 THR OG1 : rot 91:sc= -2.63 USER MOD Set 2.1: A 53 GLN : amide:sc= -3.73! C(o=-14!,f=-15!) USER MOD Set 2.2: A 69 GLN : amide:sc= -10.7! C(o=-14!,f=-24!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -165:sc= 0.719 (180deg=0) USER MOD Set 3.2: A 37 SER OG : rot 90:sc= -1.84! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.407 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 62:sc= 0.669 USER MOD Single : A 27 HIS : no HE2:sc= -16.7! C(o=-17!,f=-20!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0137 (180deg=-0.227) USER MOD Single : A 34 CYS SG : rot 42:sc= -8.26! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.226 (180deg=-1.17) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= -9.94! (180deg=-10.2!) USER MOD Single : A 56 SER OG : rot -84:sc= 0.67 USER MOD Single : A 70 ASN : amide:sc= -9.8! C(o=-9.8!,f=-21!) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0269 (180deg=-0.403) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -176:sc= -4.86 (180deg=-5.11!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 6.230 -3.796 -0.615 1.00 53.42 N ATOM 30 CA ALA A 2 7.173 -4.482 0.251 1.00 71.53 C ATOM 31 C ALA A 2 7.276 -5.948 -0.176 1.00 32.33 C ATOM 32 O ALA A 2 8.365 -6.437 -0.472 1.00 31.44 O ATOM 33 CB ALA A 2 6.734 -4.329 1.708 1.00 13.42 C ATOM 0 HA ALA A 2 8.166 -4.041 0.162 1.00 71.53 H new ATOM 0 HB1 ALA A 2 7.442 -4.844 2.357 1.00 13.42 H new ATOM 0 HB2 ALA A 2 6.704 -3.271 1.970 1.00 13.42 H new ATOM 0 HB3 ALA A 2 5.742 -4.762 1.837 1.00 13.42 H new ATOM 39 N PHE A 3 6.127 -6.608 -0.193 1.00 61.25 N ATOM 40 CA PHE A 3 6.074 -8.008 -0.579 1.00 21.23 C ATOM 41 C PHE A 3 6.846 -8.249 -1.877 1.00 64.24 C ATOM 42 O PHE A 3 7.276 -9.369 -2.149 1.00 63.14 O ATOM 43 CB PHE A 3 4.601 -8.355 -0.803 1.00 40.14 C ATOM 44 CG PHE A 3 3.885 -8.868 0.448 1.00 54.44 C ATOM 45 CD1 PHE A 3 2.868 -8.147 0.993 1.00 41.14 C ATOM 46 CD2 PHE A 3 4.264 -10.044 1.015 1.00 63.04 C ATOM 47 CE1 PHE A 3 2.203 -8.623 2.154 1.00 43.24 C ATOM 48 CE2 PHE A 3 3.600 -10.520 2.176 1.00 55.14 C ATOM 49 CZ PHE A 3 2.583 -9.799 2.721 1.00 60.24 C ATOM 0 H PHE A 3 5.226 -6.199 0.054 1.00 61.25 H new ATOM 0 HA PHE A 3 6.524 -8.625 0.199 1.00 21.23 H new ATOM 0 HB2 PHE A 3 4.081 -7.469 -1.169 1.00 40.14 H new ATOM 0 HB3 PHE A 3 4.531 -9.111 -1.585 1.00 40.14 H new ATOM 0 HD1 PHE A 3 2.566 -7.213 0.543 1.00 41.14 H new ATOM 0 HD2 PHE A 3 5.071 -10.617 0.582 1.00 63.04 H new ATOM 0 HE1 PHE A 3 1.395 -8.051 2.587 1.00 43.24 H new ATOM 0 HE2 PHE A 3 3.902 -11.454 2.626 1.00 55.14 H new ATOM 0 HZ PHE A 3 2.077 -10.161 3.604 1.00 60.24 H new ATOM 59 N ALA A 4 6.999 -7.180 -2.645 1.00 12.02 N ATOM 60 CA ALA A 4 7.712 -7.261 -3.908 1.00 73.13 C ATOM 61 C ALA A 4 8.981 -8.095 -3.720 1.00 51.43 C ATOM 62 O ALA A 4 9.463 -8.719 -4.664 1.00 22.01 O ATOM 63 CB ALA A 4 8.011 -5.850 -4.417 1.00 41.33 C ATOM 0 H ALA A 4 6.641 -6.253 -2.416 1.00 12.02 H new ATOM 0 HA ALA A 4 7.101 -7.757 -4.663 1.00 73.13 H new ATOM 0 HB1 ALA A 4 8.546 -5.911 -5.365 1.00 41.33 H new ATOM 0 HB2 ALA A 4 7.076 -5.310 -4.562 1.00 41.33 H new ATOM 0 HB3 ALA A 4 8.625 -5.322 -3.687 1.00 41.33 H new ATOM 69 N SER A 5 9.486 -8.077 -2.495 1.00 74.44 N ATOM 70 CA SER A 5 10.689 -8.824 -2.171 1.00 45.15 C ATOM 71 C SER A 5 10.321 -10.130 -1.466 1.00 20.52 C ATOM 72 O SER A 5 10.889 -11.181 -1.760 1.00 45.21 O ATOM 73 CB SER A 5 11.632 -7.996 -1.296 1.00 43.44 C ATOM 74 OG SER A 5 12.490 -7.165 -2.074 1.00 2.32 O ATOM 0 H SER A 5 9.084 -7.557 -1.715 1.00 74.44 H new ATOM 0 HA SER A 5 11.208 -9.055 -3.101 1.00 45.15 H new ATOM 0 HB2 SER A 5 11.046 -7.377 -0.616 1.00 43.44 H new ATOM 0 HB3 SER A 5 12.235 -8.663 -0.680 1.00 43.44 H new ATOM 0 HG SER A 5 13.075 -6.651 -1.479 1.00 2.32 H new ATOM 80 N VAL A 6 9.372 -10.023 -0.548 1.00 13.41 N ATOM 81 CA VAL A 6 8.921 -11.183 0.202 1.00 13.52 C ATOM 82 C VAL A 6 8.283 -12.189 -0.758 1.00 0.21 C ATOM 83 O VAL A 6 8.777 -13.305 -0.911 1.00 34.15 O ATOM 84 CB VAL A 6 7.976 -10.745 1.324 1.00 64.51 C ATOM 85 CG1 VAL A 6 7.649 -11.917 2.252 1.00 11.33 C ATOM 86 CG2 VAL A 6 8.564 -9.571 2.109 1.00 62.20 C ATOM 0 H VAL A 6 8.903 -9.150 -0.306 1.00 13.41 H new ATOM 0 HA VAL A 6 9.765 -11.680 0.681 1.00 13.52 H new ATOM 0 HB VAL A 6 7.045 -10.409 0.867 1.00 64.51 H new ATOM 0 HG11 VAL A 6 6.976 -11.580 3.041 1.00 11.33 H new ATOM 0 HG12 VAL A 6 7.169 -12.711 1.680 1.00 11.33 H new ATOM 0 HG13 VAL A 6 8.569 -12.296 2.697 1.00 11.33 H new ATOM 0 HG21 VAL A 6 7.873 -9.280 2.900 1.00 62.20 H new ATOM 0 HG22 VAL A 6 9.516 -9.868 2.550 1.00 62.20 H new ATOM 0 HG23 VAL A 6 8.723 -8.727 1.437 1.00 62.20 H new ATOM 96 N LEU A 7 7.196 -11.758 -1.380 1.00 52.52 N ATOM 97 CA LEU A 7 6.486 -12.607 -2.321 1.00 55.22 C ATOM 98 C LEU A 7 6.584 -12.001 -3.723 1.00 34.12 C ATOM 99 O LEU A 7 7.252 -10.987 -3.919 1.00 61.44 O ATOM 100 CB LEU A 7 5.048 -12.841 -1.852 1.00 23.51 C ATOM 101 CG LEU A 7 4.874 -13.182 -0.370 1.00 54.15 C ATOM 102 CD1 LEU A 7 3.443 -12.900 0.092 1.00 74.13 C ATOM 103 CD2 LEU A 7 5.294 -14.625 -0.086 1.00 71.33 C ATOM 0 H LEU A 7 6.789 -10.832 -1.251 1.00 52.52 H new ATOM 0 HA LEU A 7 6.947 -13.594 -2.366 1.00 55.22 H new ATOM 0 HB2 LEU A 7 4.465 -11.946 -2.069 1.00 23.51 H new ATOM 0 HB3 LEU A 7 4.621 -13.651 -2.444 1.00 23.51 H new ATOM 0 HG LEU A 7 5.533 -12.536 0.209 1.00 54.15 H new ATOM 0 HD11 LEU A 7 3.346 -13.151 1.148 1.00 74.13 H new ATOM 0 HD12 LEU A 7 3.215 -11.844 -0.053 1.00 74.13 H new ATOM 0 HD13 LEU A 7 2.747 -13.504 -0.490 1.00 74.13 H new ATOM 0 HD21 LEU A 7 5.160 -14.841 0.974 1.00 71.33 H new ATOM 0 HD22 LEU A 7 4.679 -15.306 -0.675 1.00 71.33 H new ATOM 0 HD23 LEU A 7 6.342 -14.758 -0.354 1.00 71.33 H new ATOM 115 N LYS A 8 5.908 -12.648 -4.661 1.00 14.22 N ATOM 116 CA LYS A 8 5.910 -12.186 -6.038 1.00 42.44 C ATOM 117 C LYS A 8 4.868 -11.077 -6.202 1.00 20.41 C ATOM 118 O LYS A 8 3.688 -11.284 -5.924 1.00 72.43 O ATOM 119 CB LYS A 8 5.714 -13.361 -6.998 1.00 50.23 C ATOM 120 CG LYS A 8 6.830 -14.395 -6.835 1.00 11.35 C ATOM 121 CD LYS A 8 8.087 -13.970 -7.596 1.00 41.30 C ATOM 122 CE LYS A 8 9.151 -15.069 -7.555 1.00 54.20 C ATOM 123 NZ LYS A 8 10.280 -14.730 -8.449 1.00 65.31 N ATOM 0 H LYS A 8 5.355 -13.489 -4.494 1.00 14.22 H new ATOM 0 HA LYS A 8 6.878 -11.754 -6.293 1.00 42.44 H new ATOM 0 HB2 LYS A 8 4.748 -13.831 -6.811 1.00 50.23 H new ATOM 0 HB3 LYS A 8 5.698 -12.997 -8.025 1.00 50.23 H new ATOM 0 HG2 LYS A 8 7.065 -14.518 -5.778 1.00 11.35 H new ATOM 0 HG3 LYS A 8 6.489 -15.364 -7.201 1.00 11.35 H new ATOM 0 HD2 LYS A 8 7.831 -13.745 -8.631 1.00 41.30 H new ATOM 0 HD3 LYS A 8 8.488 -13.055 -7.161 1.00 41.30 H new ATOM 0 HE2 LYS A 8 9.513 -15.195 -6.535 1.00 54.20 H new ATOM 0 HE3 LYS A 8 8.712 -16.020 -7.858 1.00 54.20 H new ATOM 0 HZ1 LYS A 8 10.993 -15.486 -8.410 1.00 65.31 H new ATOM 0 HZ2 LYS A 8 9.933 -14.632 -9.425 1.00 65.31 H new ATOM 0 HZ3 LYS A 8 10.709 -13.833 -8.142 1.00 65.31 H new ATOM 136 N ASP A 9 5.342 -9.925 -6.652 1.00 1.12 N ATOM 137 CA ASP A 9 4.466 -8.784 -6.856 1.00 1.34 C ATOM 138 C ASP A 9 3.381 -9.154 -7.869 1.00 12.15 C ATOM 139 O ASP A 9 2.327 -8.522 -7.913 1.00 15.30 O ATOM 140 CB ASP A 9 5.241 -7.586 -7.409 1.00 70.44 C ATOM 141 CG ASP A 9 5.813 -6.641 -6.351 1.00 40.02 C ATOM 142 OD1 ASP A 9 5.310 -6.570 -5.220 1.00 5.41 O ATOM 143 OD2 ASP A 9 6.832 -5.948 -6.733 1.00 23.42 O ATOM 0 H ASP A 9 6.322 -9.757 -6.881 1.00 1.12 H new ATOM 0 HA ASP A 9 4.030 -8.518 -5.893 1.00 1.34 H new ATOM 0 HB2 ASP A 9 6.061 -7.956 -8.025 1.00 70.44 H new ATOM 0 HB3 ASP A 9 4.581 -7.017 -8.064 1.00 70.44 H new ATOM 149 N ALA A 10 3.676 -10.177 -8.657 1.00 43.31 N ATOM 150 CA ALA A 10 2.739 -10.639 -9.667 1.00 11.43 C ATOM 151 C ALA A 10 1.760 -11.629 -9.033 1.00 25.32 C ATOM 152 O ALA A 10 0.683 -11.876 -9.573 1.00 43.43 O ATOM 153 CB ALA A 10 3.510 -11.250 -10.838 1.00 42.53 C ATOM 0 H ALA A 10 4.551 -10.699 -8.617 1.00 43.31 H new ATOM 0 HA ALA A 10 2.157 -9.806 -10.060 1.00 11.43 H new ATOM 0 HB1 ALA A 10 2.807 -11.596 -11.595 1.00 42.53 H new ATOM 0 HB2 ALA A 10 4.169 -10.498 -11.272 1.00 42.53 H new ATOM 0 HB3 ALA A 10 4.104 -12.092 -10.483 1.00 42.53 H new ATOM 159 N GLU A 11 2.170 -12.171 -7.895 1.00 65.03 N ATOM 160 CA GLU A 11 1.344 -13.129 -7.182 1.00 35.50 C ATOM 161 C GLU A 11 0.394 -12.404 -6.227 1.00 11.14 C ATOM 162 O GLU A 11 -0.823 -12.453 -6.399 1.00 41.34 O ATOM 163 CB GLU A 11 2.206 -14.146 -6.431 1.00 11.21 C ATOM 164 CG GLU A 11 2.833 -15.153 -7.397 1.00 35.42 C ATOM 165 CD GLU A 11 1.786 -16.146 -7.908 1.00 45.14 C ATOM 166 OE1 GLU A 11 1.517 -17.159 -7.246 1.00 62.13 O ATOM 167 OE2 GLU A 11 1.245 -15.834 -9.037 1.00 13.33 O ATOM 0 H GLU A 11 3.064 -11.964 -7.450 1.00 65.03 H new ATOM 0 HA GLU A 11 0.747 -13.677 -7.911 1.00 35.50 H new ATOM 0 HB2 GLU A 11 2.991 -13.627 -5.881 1.00 11.21 H new ATOM 0 HB3 GLU A 11 1.597 -14.672 -5.696 1.00 11.21 H new ATOM 0 HG2 GLU A 11 3.280 -14.625 -8.239 1.00 35.42 H new ATOM 0 HG3 GLU A 11 3.637 -15.692 -6.895 1.00 35.42 H new ATOM 175 N VAL A 12 0.986 -11.748 -5.240 1.00 1.43 N ATOM 176 CA VAL A 12 0.208 -11.013 -4.257 1.00 10.13 C ATOM 177 C VAL A 12 -0.945 -10.294 -4.959 1.00 75.25 C ATOM 178 O VAL A 12 -2.103 -10.442 -4.570 1.00 61.23 O ATOM 179 CB VAL A 12 1.117 -10.062 -3.474 1.00 74.44 C ATOM 180 CG1 VAL A 12 2.309 -10.812 -2.877 1.00 44.42 C ATOM 181 CG2 VAL A 12 1.583 -8.901 -4.355 1.00 22.31 C ATOM 0 H VAL A 12 1.996 -11.710 -5.100 1.00 1.43 H new ATOM 0 HA VAL A 12 -0.230 -11.696 -3.529 1.00 10.13 H new ATOM 0 HB VAL A 12 0.538 -9.645 -2.650 1.00 74.44 H new ATOM 0 HG11 VAL A 12 2.939 -10.114 -2.326 1.00 44.42 H new ATOM 0 HG12 VAL A 12 1.949 -11.588 -2.201 1.00 44.42 H new ATOM 0 HG13 VAL A 12 2.889 -11.270 -3.678 1.00 44.42 H new ATOM 0 HG21 VAL A 12 2.227 -8.240 -3.775 1.00 22.31 H new ATOM 0 HG22 VAL A 12 2.138 -9.292 -5.208 1.00 22.31 H new ATOM 0 HG23 VAL A 12 0.717 -8.343 -4.710 1.00 22.31 H new ATOM 191 N THR A 13 -0.590 -9.531 -5.983 1.00 25.35 N ATOM 192 CA THR A 13 -1.581 -8.789 -6.743 1.00 64.22 C ATOM 193 C THR A 13 -2.791 -9.674 -7.047 1.00 53.33 C ATOM 194 O THR A 13 -3.929 -9.286 -6.787 1.00 51.54 O ATOM 195 CB THR A 13 -0.899 -8.240 -7.998 1.00 11.41 C ATOM 196 OG1 THR A 13 -1.599 -7.029 -8.271 1.00 11.21 O ATOM 197 CG2 THR A 13 -1.158 -9.106 -9.232 1.00 61.01 C ATOM 0 H THR A 13 0.371 -9.411 -6.304 1.00 25.35 H new ATOM 0 HA THR A 13 -1.970 -7.946 -6.171 1.00 64.22 H new ATOM 0 HB THR A 13 0.175 -8.167 -7.825 1.00 11.41 H new ATOM 0 HG1 THR A 13 -1.220 -6.605 -9.069 1.00 11.21 H new ATOM 0 HG21 THR A 13 -0.652 -8.672 -10.094 1.00 61.01 H new ATOM 0 HG22 THR A 13 -0.778 -10.112 -9.057 1.00 61.01 H new ATOM 0 HG23 THR A 13 -2.230 -9.152 -9.426 1.00 61.01 H new ATOM 205 N ALA A 14 -2.505 -10.846 -7.594 1.00 21.23 N ATOM 206 CA ALA A 14 -3.556 -11.789 -7.936 1.00 71.20 C ATOM 207 C ALA A 14 -4.403 -12.076 -6.694 1.00 44.51 C ATOM 208 O ALA A 14 -5.623 -12.203 -6.786 1.00 24.40 O ATOM 209 CB ALA A 14 -2.933 -13.058 -8.522 1.00 53.33 C ATOM 0 H ALA A 14 -1.560 -11.164 -7.809 1.00 21.23 H new ATOM 0 HA ALA A 14 -4.216 -11.369 -8.695 1.00 71.20 H new ATOM 0 HB1 ALA A 14 -3.722 -13.765 -8.779 1.00 53.33 H new ATOM 0 HB2 ALA A 14 -2.367 -12.805 -9.418 1.00 53.33 H new ATOM 0 HB3 ALA A 14 -2.266 -13.509 -7.787 1.00 53.33 H new ATOM 215 N ALA A 15 -3.722 -12.168 -5.561 1.00 44.14 N ATOM 216 CA ALA A 15 -4.396 -12.437 -4.303 1.00 3.24 C ATOM 217 C ALA A 15 -5.384 -11.307 -4.006 1.00 45.45 C ATOM 218 O ALA A 15 -6.511 -11.558 -3.583 1.00 42.42 O ATOM 219 CB ALA A 15 -3.356 -12.608 -3.193 1.00 73.41 C ATOM 0 H ALA A 15 -2.710 -12.061 -5.488 1.00 44.14 H new ATOM 0 HA ALA A 15 -4.965 -13.365 -4.364 1.00 3.24 H new ATOM 0 HB1 ALA A 15 -3.862 -12.810 -2.249 1.00 73.41 H new ATOM 0 HB2 ALA A 15 -2.697 -13.441 -3.437 1.00 73.41 H new ATOM 0 HB3 ALA A 15 -2.768 -11.695 -3.102 1.00 73.41 H new ATOM 225 N LEU A 16 -4.924 -10.086 -4.241 1.00 35.12 N ATOM 226 CA LEU A 16 -5.754 -8.916 -4.004 1.00 64.44 C ATOM 227 C LEU A 16 -7.058 -9.054 -4.791 1.00 74.15 C ATOM 228 O LEU A 16 -8.144 -8.958 -4.222 1.00 33.23 O ATOM 229 CB LEU A 16 -4.977 -7.637 -4.320 1.00 51.52 C ATOM 230 CG LEU A 16 -3.796 -7.324 -3.399 1.00 12.11 C ATOM 231 CD1 LEU A 16 -2.746 -6.478 -4.122 1.00 22.34 C ATOM 232 CD2 LEU A 16 -4.272 -6.663 -2.103 1.00 65.13 C ATOM 0 H LEU A 16 -3.989 -9.882 -4.593 1.00 35.12 H new ATOM 0 HA LEU A 16 -6.024 -8.846 -2.950 1.00 64.44 H new ATOM 0 HB2 LEU A 16 -4.606 -7.704 -5.343 1.00 51.52 H new ATOM 0 HB3 LEU A 16 -5.671 -6.797 -4.287 1.00 51.52 H new ATOM 0 HG LEU A 16 -3.318 -8.264 -3.124 1.00 12.11 H new ATOM 0 HD11 LEU A 16 -1.917 -6.270 -3.445 1.00 22.34 H new ATOM 0 HD12 LEU A 16 -2.376 -7.022 -4.991 1.00 22.34 H new ATOM 0 HD13 LEU A 16 -3.195 -5.539 -4.445 1.00 22.34 H new ATOM 0 HD21 LEU A 16 -3.413 -6.451 -1.466 1.00 65.13 H new ATOM 0 HD22 LEU A 16 -4.788 -5.732 -2.338 1.00 65.13 H new ATOM 0 HD23 LEU A 16 -4.954 -7.335 -1.581 1.00 65.13 H new ATOM 244 N ASP A 17 -6.909 -9.277 -6.089 1.00 2.11 N ATOM 245 CA ASP A 17 -8.062 -9.429 -6.960 1.00 41.20 C ATOM 246 C ASP A 17 -8.847 -10.676 -6.547 1.00 43.42 C ATOM 247 O ASP A 17 -9.988 -10.862 -6.966 1.00 51.12 O ATOM 248 CB ASP A 17 -7.632 -9.602 -8.418 1.00 24.21 C ATOM 249 CG ASP A 17 -8.693 -9.227 -9.454 1.00 60.53 C ATOM 250 OD1 ASP A 17 -9.101 -8.061 -9.558 1.00 4.01 O ATOM 251 OD2 ASP A 17 -9.110 -10.205 -10.185 1.00 71.04 O ATOM 0 H ASP A 17 -6.007 -9.356 -6.558 1.00 2.11 H new ATOM 0 HA ASP A 17 -8.674 -8.532 -6.869 1.00 41.20 H new ATOM 0 HB2 ASP A 17 -6.744 -8.995 -8.594 1.00 24.21 H new ATOM 0 HB3 ASP A 17 -7.344 -10.641 -8.575 1.00 24.21 H new ATOM 257 N GLY A 18 -8.204 -11.497 -5.731 1.00 24.23 N ATOM 258 CA GLY A 18 -8.827 -12.721 -5.257 1.00 13.04 C ATOM 259 C GLY A 18 -9.967 -12.414 -4.283 1.00 71.11 C ATOM 260 O GLY A 18 -10.792 -13.280 -3.995 1.00 11.30 O ATOM 0 H GLY A 18 -7.257 -11.339 -5.386 1.00 24.23 H new ATOM 0 HA2 GLY A 18 -9.211 -13.290 -6.104 1.00 13.04 H new ATOM 0 HA3 GLY A 18 -8.082 -13.346 -4.765 1.00 13.04 H new ATOM 264 N CYS A 19 -9.976 -11.179 -3.803 1.00 74.22 N ATOM 265 CA CYS A 19 -11.001 -10.747 -2.868 1.00 73.31 C ATOM 266 C CYS A 19 -11.532 -9.389 -3.331 1.00 32.11 C ATOM 267 O CYS A 19 -11.985 -8.586 -2.517 1.00 53.21 O ATOM 268 CB CYS A 19 -10.472 -10.695 -1.434 1.00 11.45 C ATOM 269 SG CYS A 19 -9.477 -12.189 -1.078 1.00 40.33 S ATOM 0 H CYS A 19 -9.290 -10.464 -4.044 1.00 74.22 H new ATOM 0 HA CYS A 19 -11.817 -11.470 -2.858 1.00 73.31 H new ATOM 0 HB2 CYS A 19 -9.864 -9.801 -1.294 1.00 11.45 H new ATOM 0 HB3 CYS A 19 -11.304 -10.627 -0.733 1.00 11.45 H new ATOM 0 HG CYS A 19 -9.031 -12.133 0.142 1.00 40.33 H new ATOM 275 N LYS A 20 -11.459 -9.174 -4.636 1.00 64.32 N ATOM 276 CA LYS A 20 -11.926 -7.927 -5.217 1.00 32.10 C ATOM 277 C LYS A 20 -13.370 -7.674 -4.777 1.00 63.43 C ATOM 278 O LYS A 20 -13.712 -6.567 -4.365 1.00 71.13 O ATOM 279 CB LYS A 20 -11.739 -7.940 -6.735 1.00 51.14 C ATOM 280 CG LYS A 20 -12.623 -9.005 -7.388 1.00 0.12 C ATOM 281 CD LYS A 20 -12.157 -9.306 -8.814 1.00 22.03 C ATOM 282 CE LYS A 20 -12.943 -10.474 -9.412 1.00 62.32 C ATOM 283 NZ LYS A 20 -12.571 -10.676 -10.831 1.00 33.35 N ATOM 0 H LYS A 20 -11.083 -9.843 -5.308 1.00 64.32 H new ATOM 0 HA LYS A 20 -11.330 -7.090 -4.853 1.00 32.10 H new ATOM 0 HB2 LYS A 20 -11.983 -6.959 -7.143 1.00 51.14 H new ATOM 0 HB3 LYS A 20 -10.693 -8.134 -6.974 1.00 51.14 H new ATOM 0 HG2 LYS A 20 -12.598 -9.918 -6.793 1.00 0.12 H new ATOM 0 HG3 LYS A 20 -13.658 -8.663 -7.404 1.00 0.12 H new ATOM 0 HD2 LYS A 20 -12.284 -8.420 -9.437 1.00 22.03 H new ATOM 0 HD3 LYS A 20 -11.093 -9.543 -8.810 1.00 22.03 H new ATOM 0 HE2 LYS A 20 -12.743 -11.383 -8.845 1.00 62.32 H new ATOM 0 HE3 LYS A 20 -14.012 -10.278 -9.334 1.00 62.32 H new ATOM 0 HZ1 LYS A 20 -13.113 -11.472 -11.222 1.00 33.35 H new ATOM 0 HZ2 LYS A 20 -12.784 -9.814 -11.372 1.00 33.35 H new ATOM 0 HZ3 LYS A 20 -11.554 -10.884 -10.897 1.00 33.35 H new ATOM 296 N ALA A 21 -14.177 -8.720 -4.880 1.00 14.42 N ATOM 297 CA ALA A 21 -15.576 -8.625 -4.498 1.00 11.11 C ATOM 298 C ALA A 21 -15.679 -8.532 -2.974 1.00 71.12 C ATOM 299 O ALA A 21 -14.838 -9.073 -2.258 1.00 12.14 O ATOM 300 CB ALA A 21 -16.342 -9.823 -5.062 1.00 61.31 C ATOM 0 H ALA A 21 -13.889 -9.637 -5.222 1.00 14.42 H new ATOM 0 HA ALA A 21 -16.027 -7.724 -4.915 1.00 11.11 H new ATOM 0 HB1 ALA A 21 -17.391 -9.752 -4.775 1.00 61.31 H new ATOM 0 HB2 ALA A 21 -16.262 -9.827 -6.149 1.00 61.31 H new ATOM 0 HB3 ALA A 21 -15.919 -10.745 -4.664 1.00 61.31 H new ATOM 306 N ALA A 22 -16.717 -7.843 -2.524 1.00 40.40 N ATOM 307 CA ALA A 22 -16.941 -7.672 -1.098 1.00 42.05 C ATOM 308 C ALA A 22 -17.720 -8.874 -0.562 1.00 31.14 C ATOM 309 O ALA A 22 -18.462 -9.519 -1.302 1.00 4.42 O ATOM 310 CB ALA A 22 -17.667 -6.348 -0.850 1.00 61.33 C ATOM 0 H ALA A 22 -17.413 -7.396 -3.122 1.00 40.40 H new ATOM 0 HA ALA A 22 -15.993 -7.628 -0.563 1.00 42.05 H new ATOM 0 HB1 ALA A 22 -17.835 -6.220 0.219 1.00 61.33 H new ATOM 0 HB2 ALA A 22 -17.059 -5.524 -1.223 1.00 61.33 H new ATOM 0 HB3 ALA A 22 -18.625 -6.356 -1.369 1.00 61.33 H new ATOM 316 N GLY A 23 -17.526 -9.140 0.722 1.00 44.42 N ATOM 317 CA GLY A 23 -18.201 -10.253 1.366 1.00 31.05 C ATOM 318 C GLY A 23 -17.704 -11.590 0.813 1.00 34.32 C ATOM 319 O GLY A 23 -18.263 -12.641 1.125 1.00 42.00 O ATOM 0 H GLY A 23 -16.911 -8.603 1.333 1.00 44.42 H new ATOM 0 HA2 GLY A 23 -18.029 -10.214 2.442 1.00 31.05 H new ATOM 0 HA3 GLY A 23 -19.277 -10.169 1.212 1.00 31.05 H new ATOM 323 N SER A 24 -16.660 -11.507 0.002 1.00 74.43 N ATOM 324 CA SER A 24 -16.082 -12.698 -0.598 1.00 32.11 C ATOM 325 C SER A 24 -14.594 -12.787 -0.254 1.00 60.11 C ATOM 326 O SER A 24 -13.821 -13.408 -0.982 1.00 50.22 O ATOM 327 CB SER A 24 -16.278 -12.701 -2.115 1.00 45.23 C ATOM 328 OG SER A 24 -15.150 -12.162 -2.800 1.00 2.33 O ATOM 0 H SER A 24 -16.199 -10.634 -0.254 1.00 74.43 H new ATOM 0 HA SER A 24 -16.595 -13.570 -0.192 1.00 32.11 H new ATOM 0 HB2 SER A 24 -16.456 -13.721 -2.456 1.00 45.23 H new ATOM 0 HB3 SER A 24 -17.166 -12.122 -2.367 1.00 45.23 H new ATOM 0 HG SER A 24 -14.363 -12.717 -2.621 1.00 2.33 H new ATOM 334 N PHE A 25 -14.237 -12.158 0.856 1.00 51.53 N ATOM 335 CA PHE A 25 -12.855 -12.158 1.305 1.00 53.20 C ATOM 336 C PHE A 25 -12.476 -13.511 1.910 1.00 3.21 C ATOM 337 O PHE A 25 -13.277 -14.129 2.609 1.00 72.11 O ATOM 338 CB PHE A 25 -12.735 -11.079 2.383 1.00 52.31 C ATOM 339 CG PHE A 25 -11.368 -11.033 3.068 1.00 41.11 C ATOM 340 CD1 PHE A 25 -11.240 -11.444 4.358 1.00 64.10 C ATOM 341 CD2 PHE A 25 -10.281 -10.581 2.387 1.00 61.00 C ATOM 342 CE1 PHE A 25 -9.971 -11.402 4.994 1.00 44.52 C ATOM 343 CE2 PHE A 25 -9.012 -10.538 3.023 1.00 61.42 C ATOM 344 CZ PHE A 25 -8.884 -10.950 4.313 1.00 44.41 C ATOM 0 H PHE A 25 -14.881 -11.645 1.458 1.00 51.53 H new ATOM 0 HA PHE A 25 -12.190 -11.967 0.463 1.00 53.20 H new ATOM 0 HB2 PHE A 25 -12.938 -10.107 1.934 1.00 52.31 H new ATOM 0 HB3 PHE A 25 -13.503 -11.247 3.138 1.00 52.31 H new ATOM 0 HD1 PHE A 25 -12.103 -11.802 4.899 1.00 64.10 H new ATOM 0 HD2 PHE A 25 -10.383 -10.255 1.363 1.00 61.00 H new ATOM 0 HE1 PHE A 25 -9.869 -11.729 6.018 1.00 44.52 H new ATOM 0 HE2 PHE A 25 -8.149 -10.178 2.483 1.00 61.42 H new ATOM 0 HZ PHE A 25 -7.919 -10.918 4.797 1.00 44.41 H new ATOM 354 N ASP A 26 -11.253 -13.931 1.620 1.00 52.13 N ATOM 355 CA ASP A 26 -10.758 -15.199 2.126 1.00 24.45 C ATOM 356 C ASP A 26 -9.264 -15.072 2.435 1.00 74.01 C ATOM 357 O ASP A 26 -8.427 -15.251 1.552 1.00 51.02 O ATOM 358 CB ASP A 26 -10.933 -16.312 1.092 1.00 73.44 C ATOM 359 CG ASP A 26 -11.042 -17.724 1.672 1.00 12.22 C ATOM 360 OD1 ASP A 26 -11.095 -17.908 2.897 1.00 23.22 O ATOM 361 OD2 ASP A 26 -11.073 -18.672 0.798 1.00 52.01 O ATOM 0 H ASP A 26 -10.591 -13.415 1.041 1.00 52.13 H new ATOM 0 HA ASP A 26 -11.325 -15.448 3.023 1.00 24.45 H new ATOM 0 HB2 ASP A 26 -11.829 -16.106 0.507 1.00 73.44 H new ATOM 0 HB3 ASP A 26 -10.089 -16.283 0.403 1.00 73.44 H new ATOM 367 N HIS A 27 -8.976 -14.764 3.691 1.00 54.22 N ATOM 368 CA HIS A 27 -7.599 -14.610 4.127 1.00 62.42 C ATOM 369 C HIS A 27 -6.848 -15.929 3.929 1.00 50.34 C ATOM 370 O HIS A 27 -5.856 -15.980 3.202 1.00 15.45 O ATOM 371 CB HIS A 27 -7.539 -14.105 5.570 1.00 43.15 C ATOM 372 CG HIS A 27 -8.224 -15.009 6.566 1.00 14.01 C ATOM 373 ND1 HIS A 27 -7.646 -16.171 7.047 1.00 45.44 N ATOM 374 CD2 HIS A 27 -9.444 -14.909 7.168 1.00 75.35 C ATOM 375 CE1 HIS A 27 -8.489 -16.737 7.897 1.00 5.04 C ATOM 376 NE2 HIS A 27 -9.603 -15.954 7.971 1.00 70.04 N ATOM 0 H HIS A 27 -9.673 -14.617 4.421 1.00 54.22 H new ATOM 0 HA HIS A 27 -7.103 -13.854 3.518 1.00 62.42 H new ATOM 0 HB2 HIS A 27 -6.495 -13.987 5.860 1.00 43.15 H new ATOM 0 HB3 HIS A 27 -7.996 -13.117 5.617 1.00 43.15 H new ATOM 0 HD1 HIS A 27 -6.727 -16.530 6.790 1.00 45.44 H new ATOM 0 HD2 HIS A 27 -10.159 -14.114 7.017 1.00 75.35 H new ATOM 0 HE1 HIS A 27 -8.323 -17.657 8.437 1.00 5.04 H new ATOM 384 N LYS A 28 -7.350 -16.963 4.587 1.00 23.12 N ATOM 385 CA LYS A 28 -6.739 -18.278 4.493 1.00 60.14 C ATOM 386 C LYS A 28 -6.300 -18.529 3.049 1.00 72.34 C ATOM 387 O LYS A 28 -5.118 -18.743 2.783 1.00 12.34 O ATOM 388 CB LYS A 28 -7.684 -19.348 5.043 1.00 24.43 C ATOM 389 CG LYS A 28 -9.052 -19.274 4.363 1.00 31.40 C ATOM 390 CD LYS A 28 -10.161 -19.734 5.311 1.00 13.24 C ATOM 391 CE LYS A 28 -11.395 -20.193 4.531 1.00 2.51 C ATOM 392 NZ LYS A 28 -12.161 -21.190 5.312 1.00 42.52 N ATOM 0 H LYS A 28 -8.173 -16.917 5.188 1.00 23.12 H new ATOM 0 HA LYS A 28 -5.843 -18.327 5.112 1.00 60.14 H new ATOM 0 HB2 LYS A 28 -7.250 -20.336 4.888 1.00 24.43 H new ATOM 0 HB3 LYS A 28 -7.801 -19.216 6.119 1.00 24.43 H new ATOM 0 HG2 LYS A 28 -9.246 -18.251 4.039 1.00 31.40 H new ATOM 0 HG3 LYS A 28 -9.052 -19.897 3.469 1.00 31.40 H new ATOM 0 HD2 LYS A 28 -9.796 -20.550 5.934 1.00 13.24 H new ATOM 0 HD3 LYS A 28 -10.433 -18.918 5.981 1.00 13.24 H new ATOM 0 HE2 LYS A 28 -12.029 -19.336 4.304 1.00 2.51 H new ATOM 0 HE3 LYS A 28 -11.090 -20.625 3.578 1.00 2.51 H new ATOM 0 HZ1 LYS A 28 -12.995 -21.491 4.768 1.00 42.52 H new ATOM 0 HZ2 LYS A 28 -11.559 -22.015 5.507 1.00 42.52 H new ATOM 0 HZ3 LYS A 28 -12.468 -20.766 6.210 1.00 42.52 H new ATOM 405 N LYS A 29 -7.276 -18.495 2.153 1.00 61.50 N ATOM 406 CA LYS A 29 -7.005 -18.717 0.743 1.00 52.24 C ATOM 407 C LYS A 29 -5.909 -17.755 0.281 1.00 3.21 C ATOM 408 O LYS A 29 -4.897 -18.181 -0.274 1.00 20.25 O ATOM 409 CB LYS A 29 -8.296 -18.615 -0.073 1.00 63.10 C ATOM 410 CG LYS A 29 -8.929 -19.994 -0.271 1.00 52.31 C ATOM 411 CD LYS A 29 -9.058 -20.735 1.061 1.00 5.44 C ATOM 412 CE LYS A 29 -9.383 -22.213 0.838 1.00 54.35 C ATOM 413 NZ LYS A 29 -8.201 -22.930 0.310 1.00 53.13 N ATOM 0 H LYS A 29 -8.255 -18.317 2.376 1.00 61.50 H new ATOM 0 HA LYS A 29 -6.631 -19.728 0.582 1.00 52.24 H new ATOM 0 HB2 LYS A 29 -9.001 -17.957 0.435 1.00 63.10 H new ATOM 0 HB3 LYS A 29 -8.083 -18.166 -1.043 1.00 63.10 H new ATOM 0 HG2 LYS A 29 -9.913 -19.884 -0.727 1.00 52.31 H new ATOM 0 HG3 LYS A 29 -8.322 -20.581 -0.960 1.00 52.31 H new ATOM 0 HD2 LYS A 29 -8.128 -20.644 1.623 1.00 5.44 H new ATOM 0 HD3 LYS A 29 -9.841 -20.274 1.663 1.00 5.44 H new ATOM 0 HE2 LYS A 29 -9.702 -22.667 1.776 1.00 54.35 H new ATOM 0 HE3 LYS A 29 -10.215 -22.307 0.140 1.00 54.35 H new ATOM 0 HZ1 LYS A 29 -8.340 -23.955 0.418 1.00 53.13 H new ATOM 0 HZ2 LYS A 29 -8.077 -22.701 -0.697 1.00 53.13 H new ATOM 0 HZ3 LYS A 29 -7.354 -22.638 0.838 1.00 53.13 H new ATOM 426 N PHE A 30 -6.147 -16.475 0.527 1.00 4.14 N ATOM 427 CA PHE A 30 -5.192 -15.449 0.144 1.00 2.11 C ATOM 428 C PHE A 30 -3.759 -15.895 0.442 1.00 2.53 C ATOM 429 O PHE A 30 -2.948 -16.043 -0.471 1.00 12.30 O ATOM 430 CB PHE A 30 -5.511 -14.207 0.978 1.00 0.23 C ATOM 431 CG PHE A 30 -4.990 -12.901 0.375 1.00 42.04 C ATOM 432 CD1 PHE A 30 -3.656 -12.637 0.374 1.00 4.11 C ATOM 433 CD2 PHE A 30 -5.861 -12.004 -0.161 1.00 63.43 C ATOM 434 CE1 PHE A 30 -3.172 -11.425 -0.186 1.00 70.11 C ATOM 435 CE2 PHE A 30 -5.377 -10.792 -0.721 1.00 70.44 C ATOM 436 CZ PHE A 30 -4.043 -10.528 -0.722 1.00 22.40 C ATOM 0 H PHE A 30 -6.987 -16.125 0.987 1.00 4.14 H new ATOM 0 HA PHE A 30 -5.267 -15.251 -0.925 1.00 2.11 H new ATOM 0 HB2 PHE A 30 -6.591 -14.133 1.101 1.00 0.23 H new ATOM 0 HB3 PHE A 30 -5.084 -14.331 1.973 1.00 0.23 H new ATOM 0 HD1 PHE A 30 -2.964 -13.349 0.799 1.00 4.11 H new ATOM 0 HD2 PHE A 30 -6.920 -12.214 -0.161 1.00 63.43 H new ATOM 0 HE1 PHE A 30 -2.113 -11.215 -0.186 1.00 70.11 H new ATOM 0 HE2 PHE A 30 -6.069 -10.080 -1.146 1.00 70.44 H new ATOM 0 HZ PHE A 30 -3.675 -9.606 -1.148 1.00 22.40 H new ATOM 446 N PHE A 31 -3.490 -16.096 1.724 1.00 52.20 N ATOM 447 CA PHE A 31 -2.169 -16.522 2.154 1.00 52.40 C ATOM 448 C PHE A 31 -1.713 -17.760 1.380 1.00 34.31 C ATOM 449 O PHE A 31 -0.516 -17.999 1.233 1.00 43.54 O ATOM 450 CB PHE A 31 -2.274 -16.873 3.639 1.00 1.23 C ATOM 451 CG PHE A 31 -2.433 -15.658 4.556 1.00 23.22 C ATOM 452 CD1 PHE A 31 -3.592 -15.471 5.243 1.00 61.24 C ATOM 453 CD2 PHE A 31 -1.415 -14.766 4.685 1.00 43.41 C ATOM 454 CE1 PHE A 31 -3.739 -14.344 6.093 1.00 12.04 C ATOM 455 CE2 PHE A 31 -1.562 -13.638 5.536 1.00 70.33 C ATOM 456 CZ PHE A 31 -2.721 -13.451 6.222 1.00 32.31 C ATOM 0 H PHE A 31 -4.165 -15.972 2.479 1.00 52.20 H new ATOM 0 HA PHE A 31 -1.445 -15.727 1.974 1.00 52.40 H new ATOM 0 HB2 PHE A 31 -3.124 -17.539 3.785 1.00 1.23 H new ATOM 0 HB3 PHE A 31 -1.382 -17.425 3.935 1.00 1.23 H new ATOM 0 HD1 PHE A 31 -4.400 -16.180 5.142 1.00 61.24 H new ATOM 0 HD2 PHE A 31 -0.494 -14.915 4.140 1.00 43.41 H new ATOM 0 HE1 PHE A 31 -4.660 -14.195 6.638 1.00 12.04 H new ATOM 0 HE2 PHE A 31 -0.753 -12.929 5.638 1.00 70.33 H new ATOM 0 HZ PHE A 31 -2.833 -12.594 6.869 1.00 32.31 H new ATOM 466 N LYS A 32 -2.693 -18.516 0.906 1.00 22.33 N ATOM 467 CA LYS A 32 -2.407 -19.724 0.151 1.00 33.52 C ATOM 468 C LYS A 32 -2.245 -19.370 -1.328 1.00 50.22 C ATOM 469 O LYS A 32 -1.592 -20.096 -2.076 1.00 42.42 O ATOM 470 CB LYS A 32 -3.477 -20.787 0.415 1.00 4.53 C ATOM 471 CG LYS A 32 -3.058 -21.713 1.559 1.00 73.34 C ATOM 472 CD LYS A 32 -2.059 -22.765 1.074 1.00 63.31 C ATOM 473 CE LYS A 32 -2.020 -23.964 2.024 1.00 12.21 C ATOM 474 NZ LYS A 32 -0.680 -24.591 2.013 1.00 4.13 N ATOM 0 H LYS A 32 -3.685 -18.315 1.030 1.00 22.33 H new ATOM 0 HA LYS A 32 -1.465 -20.164 0.479 1.00 33.52 H new ATOM 0 HB2 LYS A 32 -4.422 -20.303 0.661 1.00 4.53 H new ATOM 0 HB3 LYS A 32 -3.644 -21.372 -0.489 1.00 4.53 H new ATOM 0 HG2 LYS A 32 -2.612 -21.126 2.362 1.00 73.34 H new ATOM 0 HG3 LYS A 32 -3.937 -22.205 1.974 1.00 73.34 H new ATOM 0 HD2 LYS A 32 -2.334 -23.098 0.073 1.00 63.31 H new ATOM 0 HD3 LYS A 32 -1.066 -22.322 1.001 1.00 63.31 H new ATOM 0 HE2 LYS A 32 -2.269 -23.642 3.035 1.00 12.21 H new ATOM 0 HE3 LYS A 32 -2.772 -24.695 1.728 1.00 12.21 H new ATOM 0 HZ1 LYS A 32 -0.734 -25.533 2.451 1.00 4.13 H new ATOM 0 HZ2 LYS A 32 -0.348 -24.684 1.032 1.00 4.13 H new ATOM 0 HZ3 LYS A 32 -0.015 -23.997 2.548 1.00 4.13 H new ATOM 487 N ALA A 33 -2.851 -18.254 -1.706 1.00 43.31 N ATOM 488 CA ALA A 33 -2.782 -17.794 -3.083 1.00 4.13 C ATOM 489 C ALA A 33 -1.453 -17.069 -3.308 1.00 13.45 C ATOM 490 O ALA A 33 -0.904 -17.099 -4.408 1.00 23.15 O ATOM 491 CB ALA A 33 -3.990 -16.905 -3.386 1.00 23.24 C ATOM 0 H ALA A 33 -3.392 -17.655 -1.083 1.00 43.31 H new ATOM 0 HA ALA A 33 -2.818 -18.638 -3.772 1.00 4.13 H new ATOM 0 HB1 ALA A 33 -3.938 -16.560 -4.419 1.00 23.24 H new ATOM 0 HB2 ALA A 33 -4.907 -17.475 -3.240 1.00 23.24 H new ATOM 0 HB3 ALA A 33 -3.986 -16.045 -2.716 1.00 23.24 H new ATOM 497 N CYS A 34 -0.976 -16.433 -2.247 1.00 61.34 N ATOM 498 CA CYS A 34 0.278 -15.702 -2.315 1.00 54.52 C ATOM 499 C CYS A 34 1.414 -16.662 -1.959 1.00 2.55 C ATOM 500 O CYS A 34 2.548 -16.477 -2.398 1.00 61.33 O ATOM 501 CB CYS A 34 0.264 -14.471 -1.407 1.00 12.45 C ATOM 502 SG CYS A 34 -1.441 -13.824 -1.254 1.00 75.50 S ATOM 0 H CYS A 34 -1.435 -16.409 -1.337 1.00 61.34 H new ATOM 0 HA CYS A 34 0.428 -15.324 -3.326 1.00 54.52 H new ATOM 0 HB2 CYS A 34 0.653 -14.731 -0.422 1.00 12.45 H new ATOM 0 HB3 CYS A 34 0.919 -13.701 -1.815 1.00 12.45 H new ATOM 0 HG CYS A 34 -2.271 -14.816 -1.122 1.00 75.50 H new ATOM 508 N GLY A 35 1.071 -17.665 -1.165 1.00 20.41 N ATOM 509 CA GLY A 35 2.049 -18.655 -0.744 1.00 54.31 C ATOM 510 C GLY A 35 2.428 -18.461 0.726 1.00 55.45 C ATOM 511 O GLY A 35 3.036 -19.339 1.335 1.00 73.23 O ATOM 0 H GLY A 35 0.130 -17.814 -0.802 1.00 20.41 H new ATOM 0 HA2 GLY A 35 1.644 -19.656 -0.890 1.00 54.31 H new ATOM 0 HA3 GLY A 35 2.941 -18.578 -1.366 1.00 54.31 H new ATOM 515 N LEU A 36 2.052 -17.304 1.253 1.00 63.45 N ATOM 516 CA LEU A 36 2.345 -16.984 2.639 1.00 1.32 C ATOM 517 C LEU A 36 2.129 -18.228 3.502 1.00 22.34 C ATOM 518 O LEU A 36 2.789 -18.400 4.526 1.00 20.22 O ATOM 519 CB LEU A 36 1.529 -15.772 3.093 1.00 40.43 C ATOM 520 CG LEU A 36 2.222 -14.413 2.972 1.00 44.01 C ATOM 521 CD1 LEU A 36 1.200 -13.290 2.786 1.00 32.31 C ATOM 522 CD2 LEU A 36 3.142 -14.159 4.168 1.00 41.52 C ATOM 0 H LEU A 36 1.547 -16.578 0.745 1.00 63.45 H new ATOM 0 HA LEU A 36 3.390 -16.696 2.750 1.00 1.32 H new ATOM 0 HB2 LEU A 36 0.608 -15.741 2.511 1.00 40.43 H new ATOM 0 HB3 LEU A 36 1.244 -15.921 4.134 1.00 40.43 H new ATOM 0 HG LEU A 36 2.849 -14.428 2.080 1.00 44.01 H new ATOM 0 HD11 LEU A 36 1.719 -12.335 2.703 1.00 32.31 H new ATOM 0 HD12 LEU A 36 0.623 -13.470 1.879 1.00 32.31 H new ATOM 0 HD13 LEU A 36 0.528 -13.264 3.644 1.00 32.31 H new ATOM 0 HD21 LEU A 36 3.622 -13.187 4.058 1.00 41.52 H new ATOM 0 HD22 LEU A 36 2.556 -14.172 5.087 1.00 41.52 H new ATOM 0 HD23 LEU A 36 3.904 -14.937 4.213 1.00 41.52 H new ATOM 534 N SER A 37 1.203 -19.065 3.058 1.00 52.55 N ATOM 535 CA SER A 37 0.892 -20.288 3.777 1.00 73.24 C ATOM 536 C SER A 37 2.062 -21.268 3.673 1.00 61.23 C ATOM 537 O SER A 37 2.628 -21.675 4.686 1.00 35.24 O ATOM 538 CB SER A 37 -0.389 -20.932 3.240 1.00 4.34 C ATOM 539 OG SER A 37 -0.387 -22.347 3.411 1.00 11.54 O ATOM 0 H SER A 37 0.658 -18.920 2.208 1.00 52.55 H new ATOM 0 HA SER A 37 0.729 -20.037 4.825 1.00 73.24 H new ATOM 0 HB2 SER A 37 -1.251 -20.506 3.753 1.00 4.34 H new ATOM 0 HB3 SER A 37 -0.498 -20.695 2.182 1.00 4.34 H new ATOM 0 HG SER A 37 -0.782 -22.572 4.279 1.00 11.54 H new ATOM 545 N GLY A 38 2.391 -21.619 2.438 1.00 52.20 N ATOM 546 CA GLY A 38 3.484 -22.543 2.188 1.00 34.34 C ATOM 547 C GLY A 38 4.837 -21.869 2.424 1.00 32.45 C ATOM 548 O GLY A 38 5.878 -22.522 2.366 1.00 51.12 O ATOM 0 H GLY A 38 1.919 -21.280 1.600 1.00 52.20 H new ATOM 0 HA2 GLY A 38 3.387 -23.411 2.840 1.00 34.34 H new ATOM 0 HA3 GLY A 38 3.429 -22.907 1.162 1.00 34.34 H new ATOM 552 N LYS A 39 4.778 -20.572 2.687 1.00 60.05 N ATOM 553 CA LYS A 39 5.986 -19.803 2.932 1.00 40.43 C ATOM 554 C LYS A 39 6.597 -20.232 4.267 1.00 61.51 C ATOM 555 O LYS A 39 6.117 -21.172 4.899 1.00 23.13 O ATOM 556 CB LYS A 39 5.693 -18.303 2.844 1.00 64.43 C ATOM 557 CG LYS A 39 5.714 -17.825 1.390 1.00 22.24 C ATOM 558 CD LYS A 39 7.061 -18.132 0.732 1.00 54.45 C ATOM 559 CE LYS A 39 7.420 -17.064 -0.303 1.00 43.52 C ATOM 560 NZ LYS A 39 8.256 -17.644 -1.378 1.00 52.12 N ATOM 0 H LYS A 39 3.913 -20.034 2.736 1.00 60.05 H new ATOM 0 HA LYS A 39 6.729 -20.006 2.161 1.00 40.43 H new ATOM 0 HB2 LYS A 39 4.719 -18.092 3.286 1.00 64.43 H new ATOM 0 HB3 LYS A 39 6.432 -17.750 3.423 1.00 64.43 H new ATOM 0 HG2 LYS A 39 4.913 -18.311 0.832 1.00 22.24 H new ATOM 0 HG3 LYS A 39 5.523 -16.752 1.353 1.00 22.24 H new ATOM 0 HD2 LYS A 39 7.839 -18.182 1.494 1.00 54.45 H new ATOM 0 HD3 LYS A 39 7.021 -19.110 0.252 1.00 54.45 H new ATOM 0 HE2 LYS A 39 6.510 -16.642 -0.730 1.00 43.52 H new ATOM 0 HE3 LYS A 39 7.954 -16.246 0.180 1.00 43.52 H new ATOM 0 HZ1 LYS A 39 8.491 -16.906 -2.072 1.00 52.12 H new ATOM 0 HZ2 LYS A 39 9.133 -18.025 -0.969 1.00 52.12 H new ATOM 0 HZ3 LYS A 39 7.733 -18.409 -1.850 1.00 52.12 H new ATOM 573 N SER A 40 7.647 -19.524 4.656 1.00 32.02 N ATOM 574 CA SER A 40 8.328 -19.821 5.905 1.00 45.43 C ATOM 575 C SER A 40 7.841 -18.875 7.004 1.00 4.33 C ATOM 576 O SER A 40 7.514 -17.720 6.735 1.00 71.12 O ATOM 577 CB SER A 40 9.846 -19.710 5.743 1.00 31.24 C ATOM 578 OG SER A 40 10.389 -20.818 5.030 1.00 52.23 O ATOM 0 H SER A 40 8.043 -18.746 4.129 1.00 32.02 H new ATOM 0 HA SER A 40 8.093 -20.847 6.188 1.00 45.43 H new ATOM 0 HB2 SER A 40 10.088 -18.787 5.217 1.00 31.24 H new ATOM 0 HB3 SER A 40 10.312 -19.648 6.726 1.00 31.24 H new ATOM 0 HG SER A 40 11.359 -20.709 4.946 1.00 52.23 H new ATOM 584 N THR A 41 7.809 -19.400 8.220 1.00 1.54 N ATOM 585 CA THR A 41 7.368 -18.616 9.362 1.00 75.41 C ATOM 586 C THR A 41 8.309 -17.433 9.593 1.00 52.54 C ATOM 587 O THR A 41 7.993 -16.524 10.360 1.00 62.23 O ATOM 588 CB THR A 41 7.264 -19.554 10.567 1.00 54.24 C ATOM 589 OG1 THR A 41 5.939 -20.073 10.489 1.00 12.13 O ATOM 590 CG2 THR A 41 7.292 -18.801 11.898 1.00 33.24 C ATOM 0 H THR A 41 8.081 -20.358 8.440 1.00 1.54 H new ATOM 0 HA THR A 41 6.385 -18.179 9.186 1.00 75.41 H new ATOM 0 HB THR A 41 8.083 -20.273 10.540 1.00 54.24 H new ATOM 0 HG1 THR A 41 5.786 -20.693 11.233 1.00 12.13 H new ATOM 0 HG21 THR A 41 7.215 -19.512 12.720 1.00 33.24 H new ATOM 0 HG22 THR A 41 8.227 -18.247 11.983 1.00 33.24 H new ATOM 0 HG23 THR A 41 6.454 -18.106 11.940 1.00 33.24 H new ATOM 598 N ASP A 42 9.446 -17.481 8.915 1.00 60.13 N ATOM 599 CA ASP A 42 10.435 -16.424 9.036 1.00 4.11 C ATOM 600 C ASP A 42 9.912 -15.160 8.350 1.00 21.41 C ATOM 601 O ASP A 42 9.743 -14.126 8.993 1.00 13.50 O ATOM 602 CB ASP A 42 11.750 -16.819 8.360 1.00 74.22 C ATOM 603 CG ASP A 42 12.647 -15.648 7.955 1.00 14.42 C ATOM 604 OD1 ASP A 42 13.216 -14.954 8.811 1.00 62.11 O ATOM 605 OD2 ASP A 42 12.752 -15.455 6.684 1.00 74.10 O ATOM 0 H ASP A 42 9.704 -18.236 8.280 1.00 60.13 H new ATOM 0 HA ASP A 42 10.613 -16.250 10.097 1.00 4.11 H new ATOM 0 HB2 ASP A 42 12.308 -17.467 9.036 1.00 74.22 H new ATOM 0 HB3 ASP A 42 11.522 -17.406 7.471 1.00 74.22 H new ATOM 611 N GLU A 43 9.671 -15.286 7.053 1.00 33.35 N ATOM 612 CA GLU A 43 9.170 -14.167 6.273 1.00 21.33 C ATOM 613 C GLU A 43 7.857 -13.652 6.866 1.00 20.20 C ATOM 614 O GLU A 43 7.624 -12.445 6.913 1.00 24.32 O ATOM 615 CB GLU A 43 8.993 -14.559 4.805 1.00 54.41 C ATOM 616 CG GLU A 43 7.649 -15.255 4.582 1.00 71.53 C ATOM 617 CD GLU A 43 7.450 -15.602 3.105 1.00 54.33 C ATOM 618 OE1 GLU A 43 8.294 -16.286 2.509 1.00 65.40 O ATOM 619 OE2 GLU A 43 6.370 -15.133 2.576 1.00 63.32 O ATOM 0 H GLU A 43 9.813 -16.146 6.523 1.00 33.35 H new ATOM 0 HA GLU A 43 9.904 -13.362 6.314 1.00 21.33 H new ATOM 0 HB2 GLU A 43 9.055 -13.670 4.177 1.00 54.41 H new ATOM 0 HB3 GLU A 43 9.804 -15.221 4.501 1.00 54.41 H new ATOM 0 HG2 GLU A 43 7.602 -16.164 5.182 1.00 71.53 H new ATOM 0 HG3 GLU A 43 6.840 -14.608 4.919 1.00 71.53 H new ATOM 627 N VAL A 44 7.033 -14.593 7.303 1.00 11.14 N ATOM 628 CA VAL A 44 5.749 -14.249 7.891 1.00 23.22 C ATOM 629 C VAL A 44 5.925 -13.049 8.823 1.00 1.23 C ATOM 630 O VAL A 44 5.157 -12.091 8.759 1.00 54.50 O ATOM 631 CB VAL A 44 5.152 -15.470 8.594 1.00 0.24 C ATOM 632 CG1 VAL A 44 3.905 -15.086 9.393 1.00 33.51 C ATOM 633 CG2 VAL A 44 4.841 -16.582 7.591 1.00 34.45 C ATOM 0 H VAL A 44 7.229 -15.593 7.262 1.00 11.14 H new ATOM 0 HA VAL A 44 5.040 -13.957 7.116 1.00 23.22 H new ATOM 0 HB VAL A 44 5.895 -15.851 9.295 1.00 0.24 H new ATOM 0 HG11 VAL A 44 3.500 -15.971 9.883 1.00 33.51 H new ATOM 0 HG12 VAL A 44 4.170 -14.344 10.146 1.00 33.51 H new ATOM 0 HG13 VAL A 44 3.156 -14.669 8.720 1.00 33.51 H new ATOM 0 HG21 VAL A 44 4.418 -17.438 8.117 1.00 34.45 H new ATOM 0 HG22 VAL A 44 4.125 -16.218 6.855 1.00 34.45 H new ATOM 0 HG23 VAL A 44 5.759 -16.884 7.086 1.00 34.45 H new ATOM 643 N LYS A 45 6.941 -13.140 9.668 1.00 24.24 N ATOM 644 CA LYS A 45 7.228 -12.074 10.613 1.00 51.54 C ATOM 645 C LYS A 45 7.378 -10.753 9.854 1.00 61.41 C ATOM 646 O LYS A 45 6.845 -9.728 10.274 1.00 10.32 O ATOM 647 CB LYS A 45 8.442 -12.431 11.472 1.00 45.41 C ATOM 648 CG LYS A 45 8.230 -13.763 12.194 1.00 5.53 C ATOM 649 CD LYS A 45 9.563 -14.477 12.428 1.00 32.53 C ATOM 650 CE LYS A 45 9.398 -15.635 13.415 1.00 72.33 C ATOM 651 NZ LYS A 45 8.767 -15.163 14.668 1.00 41.15 N ATOM 0 H LYS A 45 7.576 -13.936 9.718 1.00 24.24 H new ATOM 0 HA LYS A 45 6.400 -11.950 11.310 1.00 51.54 H new ATOM 0 HB2 LYS A 45 9.331 -12.491 10.844 1.00 45.41 H new ATOM 0 HB3 LYS A 45 8.620 -11.642 12.202 1.00 45.41 H new ATOM 0 HG2 LYS A 45 7.734 -13.588 13.149 1.00 5.53 H new ATOM 0 HG3 LYS A 45 7.571 -14.400 11.604 1.00 5.53 H new ATOM 0 HD2 LYS A 45 9.949 -14.854 11.481 1.00 32.53 H new ATOM 0 HD3 LYS A 45 10.297 -13.768 12.812 1.00 32.53 H new ATOM 0 HE2 LYS A 45 8.787 -16.419 12.966 1.00 72.33 H new ATOM 0 HE3 LYS A 45 10.371 -16.075 13.634 1.00 72.33 H new ATOM 0 HZ1 LYS A 45 9.047 -15.785 15.453 1.00 41.15 H new ATOM 0 HZ2 LYS A 45 9.078 -14.191 14.869 1.00 41.15 H new ATOM 0 HZ3 LYS A 45 7.732 -15.181 14.564 1.00 41.15 H new ATOM 664 N LYS A 46 8.106 -10.822 8.749 1.00 24.12 N ATOM 665 CA LYS A 46 8.333 -9.645 7.928 1.00 24.10 C ATOM 666 C LYS A 46 7.061 -9.325 7.141 1.00 43.05 C ATOM 667 O LYS A 46 6.878 -8.199 6.681 1.00 3.30 O ATOM 668 CB LYS A 46 9.570 -9.836 7.048 1.00 71.55 C ATOM 669 CG LYS A 46 10.593 -10.747 7.730 1.00 42.33 C ATOM 670 CD LYS A 46 12.012 -10.429 7.255 1.00 44.14 C ATOM 671 CE LYS A 46 12.034 -10.131 5.754 1.00 24.11 C ATOM 672 NZ LYS A 46 13.403 -10.293 5.214 1.00 73.14 N ATOM 0 H LYS A 46 8.546 -11.675 8.403 1.00 24.12 H new ATOM 0 HA LYS A 46 8.547 -8.779 8.554 1.00 24.10 H new ATOM 0 HB2 LYS A 46 9.276 -10.266 6.090 1.00 71.55 H new ATOM 0 HB3 LYS A 46 10.024 -8.868 6.837 1.00 71.55 H new ATOM 0 HG2 LYS A 46 10.531 -10.624 8.811 1.00 42.33 H new ATOM 0 HG3 LYS A 46 10.358 -11.789 7.514 1.00 42.33 H new ATOM 0 HD2 LYS A 46 12.400 -9.572 7.805 1.00 44.14 H new ATOM 0 HD3 LYS A 46 12.669 -11.271 7.472 1.00 44.14 H new ATOM 0 HE2 LYS A 46 11.350 -10.801 5.234 1.00 24.11 H new ATOM 0 HE3 LYS A 46 11.683 -9.115 5.574 1.00 24.11 H new ATOM 0 HZ1 LYS A 46 13.401 -10.087 4.195 1.00 73.14 H new ATOM 0 HZ2 LYS A 46 14.047 -9.636 5.698 1.00 73.14 H new ATOM 0 HZ3 LYS A 46 13.724 -11.270 5.369 1.00 73.14 H new ATOM 685 N ALA A 47 6.215 -10.336 7.009 1.00 51.21 N ATOM 686 CA ALA A 47 4.965 -10.176 6.285 1.00 62.11 C ATOM 687 C ALA A 47 3.925 -9.537 7.207 1.00 51.12 C ATOM 688 O ALA A 47 2.864 -9.113 6.752 1.00 74.34 O ATOM 689 CB ALA A 47 4.511 -11.534 5.745 1.00 14.25 C ATOM 0 H ALA A 47 6.370 -11.269 7.391 1.00 51.21 H new ATOM 0 HA ALA A 47 5.098 -9.513 5.430 1.00 62.11 H new ATOM 0 HB1 ALA A 47 3.574 -11.415 5.202 1.00 14.25 H new ATOM 0 HB2 ALA A 47 5.272 -11.931 5.073 1.00 14.25 H new ATOM 0 HB3 ALA A 47 4.364 -12.225 6.575 1.00 14.25 H new ATOM 695 N PHE A 48 4.266 -9.488 8.486 1.00 15.52 N ATOM 696 CA PHE A 48 3.374 -8.907 9.476 1.00 22.12 C ATOM 697 C PHE A 48 3.560 -7.391 9.560 1.00 44.23 C ATOM 698 O PHE A 48 2.676 -6.678 10.033 1.00 64.31 O ATOM 699 CB PHE A 48 3.739 -9.529 10.826 1.00 51.14 C ATOM 700 CG PHE A 48 2.945 -8.965 12.006 1.00 43.53 C ATOM 701 CD1 PHE A 48 3.449 -7.930 12.731 1.00 55.10 C ATOM 702 CD2 PHE A 48 1.737 -9.497 12.329 1.00 33.44 C ATOM 703 CE1 PHE A 48 2.712 -7.406 13.826 1.00 20.22 C ATOM 704 CE2 PHE A 48 1.000 -8.974 13.425 1.00 41.33 C ATOM 705 CZ PHE A 48 1.503 -7.939 14.150 1.00 64.00 C ATOM 0 H PHE A 48 5.147 -9.841 8.860 1.00 15.52 H new ATOM 0 HA PHE A 48 2.337 -9.104 9.203 1.00 22.12 H new ATOM 0 HB2 PHE A 48 3.577 -10.606 10.774 1.00 51.14 H new ATOM 0 HB3 PHE A 48 4.802 -9.375 11.010 1.00 51.14 H new ATOM 0 HD1 PHE A 48 4.409 -7.507 12.474 1.00 55.10 H new ATOM 0 HD2 PHE A 48 1.337 -10.318 11.752 1.00 33.44 H new ATOM 0 HE1 PHE A 48 3.111 -6.584 14.402 1.00 20.22 H new ATOM 0 HE2 PHE A 48 0.041 -9.398 13.682 1.00 41.33 H new ATOM 0 HZ PHE A 48 0.943 -7.540 14.983 1.00 64.00 H new ATOM 715 N ALA A 49 4.716 -6.942 9.093 1.00 62.03 N ATOM 716 CA ALA A 49 5.030 -5.523 9.109 1.00 73.34 C ATOM 717 C ALA A 49 4.413 -4.855 7.878 1.00 20.31 C ATOM 718 O ALA A 49 3.841 -3.771 7.977 1.00 1.12 O ATOM 719 CB ALA A 49 6.547 -5.336 9.175 1.00 72.32 C ATOM 0 H ALA A 49 5.447 -7.536 8.701 1.00 62.03 H new ATOM 0 HA ALA A 49 4.604 -5.046 9.992 1.00 73.34 H new ATOM 0 HB1 ALA A 49 6.782 -4.272 9.187 1.00 72.32 H new ATOM 0 HB2 ALA A 49 6.932 -5.803 10.082 1.00 72.32 H new ATOM 0 HB3 ALA A 49 7.009 -5.800 8.304 1.00 72.32 H new ATOM 725 N ILE A 50 4.550 -5.531 6.747 1.00 43.35 N ATOM 726 CA ILE A 50 4.014 -5.016 5.498 1.00 33.10 C ATOM 727 C ILE A 50 2.641 -4.391 5.757 1.00 64.11 C ATOM 728 O ILE A 50 2.365 -3.281 5.304 1.00 25.21 O ATOM 729 CB ILE A 50 3.999 -6.111 4.429 1.00 21.05 C ATOM 730 CG1 ILE A 50 5.348 -6.830 4.363 1.00 70.30 C ATOM 731 CG2 ILE A 50 3.584 -5.545 3.070 1.00 13.11 C ATOM 732 CD1 ILE A 50 6.505 -5.837 4.488 1.00 24.50 C ATOM 0 H ILE A 50 5.024 -6.431 6.669 1.00 43.35 H new ATOM 0 HA ILE A 50 4.655 -4.227 5.105 1.00 33.10 H new ATOM 0 HB ILE A 50 3.252 -6.853 4.710 1.00 21.05 H new ATOM 0 HG12 ILE A 50 5.410 -7.569 5.162 1.00 70.30 H new ATOM 0 HG13 ILE A 50 5.429 -7.372 3.421 1.00 70.30 H new ATOM 0 HG21 ILE A 50 3.582 -6.344 2.329 1.00 13.11 H new ATOM 0 HG22 ILE A 50 2.585 -5.116 3.144 1.00 13.11 H new ATOM 0 HG23 ILE A 50 4.290 -4.771 2.767 1.00 13.11 H new ATOM 0 HD11 ILE A 50 7.452 -6.374 4.438 1.00 24.50 H new ATOM 0 HD12 ILE A 50 6.454 -5.115 3.673 1.00 24.50 H new ATOM 0 HD13 ILE A 50 6.434 -5.314 5.442 1.00 24.50 H new ATOM 744 N ILE A 51 1.817 -5.131 6.484 1.00 4.12 N ATOM 745 CA ILE A 51 0.481 -4.663 6.809 1.00 75.12 C ATOM 746 C ILE A 51 0.577 -3.520 7.821 1.00 13.11 C ATOM 747 O ILE A 51 0.214 -2.384 7.517 1.00 65.52 O ATOM 748 CB ILE A 51 -0.395 -5.827 7.277 1.00 54.02 C ATOM 749 CG1 ILE A 51 -0.276 -7.020 6.327 1.00 65.15 C ATOM 750 CG2 ILE A 51 -1.848 -5.382 7.457 1.00 11.34 C ATOM 751 CD1 ILE A 51 -0.458 -8.340 7.078 1.00 33.21 C ATOM 0 H ILE A 51 2.049 -6.052 6.857 1.00 4.12 H new ATOM 0 HA ILE A 51 -0.008 -4.262 5.921 1.00 75.12 H new ATOM 0 HB ILE A 51 -0.034 -6.154 8.252 1.00 54.02 H new ATOM 0 HG12 ILE A 51 -1.026 -6.939 5.540 1.00 65.15 H new ATOM 0 HG13 ILE A 51 0.699 -7.006 5.840 1.00 65.15 H new ATOM 0 HG21 ILE A 51 -2.449 -6.228 7.790 1.00 11.34 H new ATOM 0 HG22 ILE A 51 -1.896 -4.588 8.202 1.00 11.34 H new ATOM 0 HG23 ILE A 51 -2.236 -5.013 6.508 1.00 11.34 H new ATOM 0 HD11 ILE A 51 -0.369 -9.172 6.379 1.00 33.21 H new ATOM 0 HD12 ILE A 51 0.308 -8.429 7.848 1.00 33.21 H new ATOM 0 HD13 ILE A 51 -1.444 -8.361 7.543 1.00 33.21 H new ATOM 763 N ASP A 52 1.067 -3.860 9.004 1.00 14.53 N ATOM 764 CA ASP A 52 1.215 -2.876 10.063 1.00 10.33 C ATOM 765 C ASP A 52 1.791 -1.585 9.477 1.00 30.03 C ATOM 766 O ASP A 52 2.986 -1.506 9.197 1.00 50.50 O ATOM 767 CB ASP A 52 2.175 -3.373 11.146 1.00 15.33 C ATOM 768 CG ASP A 52 1.736 -4.653 11.861 1.00 41.52 C ATOM 769 OD1 ASP A 52 0.538 -4.879 12.087 1.00 23.33 O ATOM 770 OD2 ASP A 52 2.696 -5.447 12.194 1.00 3.25 O ATOM 0 H ASP A 52 1.367 -4.803 9.253 1.00 14.53 H new ATOM 0 HA ASP A 52 0.233 -2.704 10.503 1.00 10.33 H new ATOM 0 HB2 ASP A 52 3.152 -3.544 10.694 1.00 15.33 H new ATOM 0 HB3 ASP A 52 2.301 -2.585 11.888 1.00 15.33 H new ATOM 776 N GLN A 53 0.914 -0.606 9.310 1.00 61.13 N ATOM 777 CA GLN A 53 1.321 0.677 8.762 1.00 15.12 C ATOM 778 C GLN A 53 1.793 1.606 9.882 1.00 3.30 C ATOM 779 O GLN A 53 2.676 2.430 9.745 1.00 22.13 O ATOM 780 CB GLN A 53 0.184 1.317 7.962 1.00 30.42 C ATOM 781 CG GLN A 53 -0.570 0.266 7.145 1.00 61.15 C ATOM 782 CD GLN A 53 -1.753 0.893 6.404 1.00 60.31 C ATOM 783 OE1 GLN A 53 -1.796 0.950 5.186 1.00 51.30 O ATOM 784 NE2 GLN A 53 -2.708 1.358 7.205 1.00 64.32 N ATOM 0 H GLN A 53 -0.076 -0.675 9.544 1.00 61.13 H new ATOM 0 HA GLN A 53 2.154 0.511 8.078 1.00 15.12 H new ATOM 0 HB2 GLN A 53 -0.506 1.819 8.641 1.00 30.42 H new ATOM 0 HB3 GLN A 53 0.587 2.080 7.296 1.00 30.42 H new ATOM 0 HG2 GLN A 53 0.108 -0.198 6.429 1.00 61.15 H new ATOM 0 HG3 GLN A 53 -0.927 -0.525 7.804 1.00 61.15 H new ATOM 0 HE21 GLN A 53 -2.609 1.278 8.217 1.00 64.32 H new ATOM 0 HE22 GLN A 53 -3.540 1.794 6.807 1.00 64.32 H new ATOM 793 N ASP A 54 1.175 1.456 11.021 1.00 51.33 N ATOM 794 CA ASP A 54 1.548 2.298 12.192 1.00 42.51 C ATOM 795 C ASP A 54 2.502 1.526 13.110 1.00 52.15 C ATOM 796 O ASP A 54 2.993 2.125 14.065 1.00 14.31 O ATOM 797 CB ASP A 54 0.229 2.586 12.909 1.00 53.51 C ATOM 798 CG ASP A 54 -0.308 1.296 13.531 1.00 40.24 C ATOM 799 OD1 ASP A 54 -1.213 0.715 12.954 1.00 15.43 O ATOM 800 OD2 ASP A 54 0.193 0.910 14.574 1.00 64.11 O ATOM 0 H ASP A 54 0.426 0.785 11.191 1.00 51.33 H new ATOM 0 HA ASP A 54 2.059 3.215 11.898 1.00 42.51 H new ATOM 0 HB2 ASP A 54 0.380 3.339 13.682 1.00 53.51 H new ATOM 0 HB3 ASP A 54 -0.498 2.993 12.206 1.00 53.51 H new ATOM 805 N LYS A 55 2.737 0.255 12.820 1.00 71.21 N ATOM 806 CA LYS A 55 3.625 -0.548 13.643 1.00 33.53 C ATOM 807 C LYS A 55 3.233 -0.389 15.114 1.00 42.23 C ATOM 808 O LYS A 55 4.067 -0.037 15.947 1.00 54.51 O ATOM 809 CB LYS A 55 5.086 -0.199 13.354 1.00 10.34 C ATOM 810 CG LYS A 55 5.271 0.220 11.894 1.00 24.44 C ATOM 811 CD LYS A 55 4.882 -0.915 10.945 1.00 31.52 C ATOM 812 CE LYS A 55 5.889 -2.064 11.022 1.00 64.31 C ATOM 813 NZ LYS A 55 5.995 -2.749 9.714 1.00 20.22 N ATOM 0 H LYS A 55 2.328 -0.239 12.027 1.00 71.21 H new ATOM 0 HA LYS A 55 3.520 -1.605 13.397 1.00 33.53 H new ATOM 0 HB2 LYS A 55 5.408 0.609 14.011 1.00 10.34 H new ATOM 0 HB3 LYS A 55 5.719 -1.059 13.572 1.00 10.34 H new ATOM 0 HG2 LYS A 55 4.662 1.099 11.684 1.00 24.44 H new ATOM 0 HG3 LYS A 55 6.309 0.503 11.722 1.00 24.44 H new ATOM 0 HD2 LYS A 55 3.887 -1.281 11.199 1.00 31.52 H new ATOM 0 HD3 LYS A 55 4.832 -0.538 9.923 1.00 31.52 H new ATOM 0 HE2 LYS A 55 6.865 -1.680 11.318 1.00 64.31 H new ATOM 0 HE3 LYS A 55 5.580 -2.775 11.788 1.00 64.31 H new ATOM 0 HZ1 LYS A 55 6.670 -3.537 9.788 1.00 20.22 H new ATOM 0 HZ2 LYS A 55 5.062 -3.117 9.438 1.00 20.22 H new ATOM 0 HZ3 LYS A 55 6.328 -2.075 8.995 1.00 20.22 H new ATOM 826 N SER A 56 1.965 -0.656 15.387 1.00 13.35 N ATOM 827 CA SER A 56 1.453 -0.546 16.743 1.00 75.12 C ATOM 828 C SER A 56 1.941 -1.727 17.584 1.00 70.21 C ATOM 829 O SER A 56 1.728 -1.762 18.795 1.00 53.12 O ATOM 830 CB SER A 56 -0.076 -0.485 16.751 1.00 72.24 C ATOM 831 OG SER A 56 -0.645 -1.201 15.657 1.00 24.24 O ATOM 0 H SER A 56 1.277 -0.948 14.693 1.00 13.35 H new ATOM 0 HA SER A 56 1.829 0.381 17.176 1.00 75.12 H new ATOM 0 HB2 SER A 56 -0.450 -0.897 17.688 1.00 72.24 H new ATOM 0 HB3 SER A 56 -0.398 0.556 16.710 1.00 72.24 H new ATOM 0 HG SER A 56 -0.661 -0.627 14.863 1.00 24.24 H new ATOM 837 N GLY A 57 2.587 -2.666 16.909 1.00 63.04 N ATOM 838 CA GLY A 57 3.108 -3.846 17.579 1.00 51.34 C ATOM 839 C GLY A 57 2.109 -5.003 17.507 1.00 1.50 C ATOM 840 O GLY A 57 2.412 -6.116 17.932 1.00 21.15 O ATOM 0 H GLY A 57 2.762 -2.634 15.905 1.00 63.04 H new ATOM 0 HA2 GLY A 57 4.050 -4.144 17.118 1.00 51.34 H new ATOM 0 HA3 GLY A 57 3.324 -3.611 18.621 1.00 51.34 H new ATOM 844 N PHE A 58 0.939 -4.699 16.966 1.00 55.13 N ATOM 845 CA PHE A 58 -0.107 -5.700 16.833 1.00 43.40 C ATOM 846 C PHE A 58 -0.991 -5.411 15.618 1.00 13.34 C ATOM 847 O PHE A 58 -0.751 -4.453 14.885 1.00 53.10 O ATOM 848 CB PHE A 58 -0.961 -5.625 18.100 1.00 23.12 C ATOM 849 CG PHE A 58 -0.189 -5.916 19.389 1.00 45.52 C ATOM 850 CD1 PHE A 58 -0.196 -7.168 19.918 1.00 31.24 C ATOM 851 CD2 PHE A 58 0.505 -4.921 20.005 1.00 63.13 C ATOM 852 CE1 PHE A 58 0.520 -7.438 21.114 1.00 4.34 C ATOM 853 CE2 PHE A 58 1.222 -5.191 21.201 1.00 52.43 C ATOM 854 CZ PHE A 58 1.214 -6.443 21.730 1.00 22.23 C ATOM 0 H PHE A 58 0.691 -3.774 16.614 1.00 55.13 H new ATOM 0 HA PHE A 58 0.337 -6.687 16.699 1.00 43.40 H new ATOM 0 HB2 PHE A 58 -1.403 -4.631 18.170 1.00 23.12 H new ATOM 0 HB3 PHE A 58 -1.784 -6.334 18.014 1.00 23.12 H new ATOM 0 HD1 PHE A 58 -0.746 -7.958 19.428 1.00 31.24 H new ATOM 0 HD2 PHE A 58 0.511 -3.926 19.585 1.00 63.13 H new ATOM 0 HE1 PHE A 58 0.514 -8.433 21.535 1.00 4.34 H new ATOM 0 HE2 PHE A 58 1.773 -4.402 21.690 1.00 52.43 H new ATOM 0 HZ PHE A 58 1.759 -6.648 22.640 1.00 22.23 H new ATOM 864 N ILE A 59 -1.996 -6.257 15.443 1.00 2.35 N ATOM 865 CA ILE A 59 -2.917 -6.104 14.330 1.00 34.34 C ATOM 866 C ILE A 59 -4.353 -6.100 14.860 1.00 40.24 C ATOM 867 O ILE A 59 -5.033 -7.124 14.827 1.00 15.12 O ATOM 868 CB ILE A 59 -2.657 -7.175 13.269 1.00 43.54 C ATOM 869 CG1 ILE A 59 -1.370 -6.878 12.496 1.00 62.22 C ATOM 870 CG2 ILE A 59 -3.862 -7.329 12.338 1.00 5.32 C ATOM 871 CD1 ILE A 59 -1.150 -7.905 11.383 1.00 41.33 C ATOM 0 H ILE A 59 -2.192 -7.050 16.053 1.00 2.35 H new ATOM 0 HA ILE A 59 -2.757 -5.148 13.831 1.00 34.34 H new ATOM 0 HB ILE A 59 -2.517 -8.130 13.775 1.00 43.54 H new ATOM 0 HG12 ILE A 59 -1.422 -5.877 12.067 1.00 62.22 H new ATOM 0 HG13 ILE A 59 -0.521 -6.889 13.179 1.00 62.22 H new ATOM 0 HG21 ILE A 59 -3.651 -8.096 11.593 1.00 5.32 H new ATOM 0 HG22 ILE A 59 -4.737 -7.619 12.920 1.00 5.32 H new ATOM 0 HG23 ILE A 59 -4.058 -6.381 11.837 1.00 5.32 H new ATOM 0 HD11 ILE A 59 -0.229 -7.671 10.849 1.00 41.33 H new ATOM 0 HD12 ILE A 59 -1.075 -8.902 11.817 1.00 41.33 H new ATOM 0 HD13 ILE A 59 -1.990 -7.874 10.689 1.00 41.33 H new ATOM 883 N GLU A 60 -4.771 -4.936 15.335 1.00 40.34 N ATOM 884 CA GLU A 60 -6.113 -4.784 15.870 1.00 73.41 C ATOM 885 C GLU A 60 -7.140 -5.382 14.906 1.00 62.42 C ATOM 886 O GLU A 60 -6.786 -5.832 13.817 1.00 42.31 O ATOM 887 CB GLU A 60 -6.425 -3.315 16.161 1.00 72.13 C ATOM 888 CG GLU A 60 -5.754 -2.858 17.458 1.00 71.34 C ATOM 889 CD GLU A 60 -4.237 -2.765 17.286 1.00 5.22 C ATOM 890 OE1 GLU A 60 -3.486 -3.365 18.070 1.00 70.13 O ATOM 891 OE2 GLU A 60 -3.843 -2.038 16.296 1.00 55.42 O ATOM 0 H GLU A 60 -4.203 -4.089 15.360 1.00 40.34 H new ATOM 0 HA GLU A 60 -6.170 -5.327 16.813 1.00 73.41 H new ATOM 0 HB2 GLU A 60 -6.082 -2.696 15.332 1.00 72.13 H new ATOM 0 HB3 GLU A 60 -7.504 -3.177 16.237 1.00 72.13 H new ATOM 0 HG2 GLU A 60 -6.150 -1.887 17.754 1.00 71.34 H new ATOM 0 HG3 GLU A 60 -5.991 -3.557 18.260 1.00 71.34 H new ATOM 899 N GLU A 61 -8.391 -5.369 15.341 1.00 51.30 N ATOM 900 CA GLU A 61 -9.471 -5.904 14.530 1.00 35.10 C ATOM 901 C GLU A 61 -9.748 -4.984 13.339 1.00 3.23 C ATOM 902 O GLU A 61 -10.204 -5.439 12.292 1.00 51.44 O ATOM 903 CB GLU A 61 -10.735 -6.111 15.368 1.00 61.25 C ATOM 904 CG GLU A 61 -11.903 -6.572 14.493 1.00 11.51 C ATOM 905 CD GLU A 61 -13.174 -6.752 15.326 1.00 24.12 C ATOM 906 OE1 GLU A 61 -13.562 -5.839 16.070 1.00 32.31 O ATOM 907 OE2 GLU A 61 -13.764 -7.889 15.180 1.00 75.51 O ATOM 0 H GLU A 61 -8.681 -4.996 16.245 1.00 51.30 H new ATOM 0 HA GLU A 61 -9.164 -6.877 14.148 1.00 35.10 H new ATOM 0 HB2 GLU A 61 -10.544 -6.851 16.145 1.00 61.25 H new ATOM 0 HB3 GLU A 61 -10.998 -5.181 15.872 1.00 61.25 H new ATOM 0 HG2 GLU A 61 -12.081 -5.842 13.704 1.00 11.51 H new ATOM 0 HG3 GLU A 61 -11.647 -7.513 14.005 1.00 11.51 H new ATOM 915 N GLU A 62 -9.459 -3.706 13.540 1.00 34.42 N ATOM 916 CA GLU A 62 -9.671 -2.718 12.496 1.00 31.21 C ATOM 917 C GLU A 62 -8.513 -2.745 11.497 1.00 63.30 C ATOM 918 O GLU A 62 -8.661 -2.308 10.357 1.00 53.10 O ATOM 919 CB GLU A 62 -9.848 -1.320 13.092 1.00 35.31 C ATOM 920 CG GLU A 62 -10.873 -1.334 14.228 1.00 74.51 C ATOM 921 CD GLU A 62 -11.475 0.056 14.441 1.00 74.05 C ATOM 922 OE1 GLU A 62 -11.270 0.665 15.501 1.00 33.21 O ATOM 923 OE2 GLU A 62 -12.178 0.503 13.455 1.00 61.50 O ATOM 0 H GLU A 62 -9.080 -3.333 14.410 1.00 34.42 H new ATOM 0 HA GLU A 62 -10.589 -2.970 11.965 1.00 31.21 H new ATOM 0 HB2 GLU A 62 -8.891 -0.956 13.466 1.00 35.31 H new ATOM 0 HB3 GLU A 62 -10.171 -0.628 12.315 1.00 35.31 H new ATOM 0 HG2 GLU A 62 -11.666 -2.046 13.998 1.00 74.51 H new ATOM 0 HG3 GLU A 62 -10.397 -1.673 15.148 1.00 74.51 H new ATOM 931 N GLU A 63 -7.385 -3.263 11.961 1.00 60.31 N ATOM 932 CA GLU A 63 -6.202 -3.353 11.122 1.00 21.11 C ATOM 933 C GLU A 63 -6.234 -4.640 10.295 1.00 10.01 C ATOM 934 O GLU A 63 -5.586 -4.729 9.253 1.00 1.05 O ATOM 935 CB GLU A 63 -4.926 -3.274 11.963 1.00 12.40 C ATOM 936 CG GLU A 63 -4.708 -1.856 12.495 1.00 43.20 C ATOM 937 CD GLU A 63 -3.216 -1.551 12.647 1.00 60.02 C ATOM 938 OE1 GLU A 63 -2.795 -1.341 13.805 1.00 42.53 O ATOM 939 OE2 GLU A 63 -2.531 -1.536 11.601 1.00 4.45 O ATOM 0 H GLU A 63 -7.265 -3.625 12.907 1.00 60.31 H new ATOM 0 HA GLU A 63 -6.201 -2.504 10.438 1.00 21.11 H new ATOM 0 HB2 GLU A 63 -4.992 -3.973 12.797 1.00 12.40 H new ATOM 0 HB3 GLU A 63 -4.069 -3.576 11.360 1.00 12.40 H new ATOM 0 HG2 GLU A 63 -5.163 -1.135 11.816 1.00 43.20 H new ATOM 0 HG3 GLU A 63 -5.206 -1.745 13.458 1.00 43.20 H new ATOM 946 N LEU A 64 -6.995 -5.605 10.790 1.00 0.02 N ATOM 947 CA LEU A 64 -7.120 -6.883 10.110 1.00 51.10 C ATOM 948 C LEU A 64 -7.713 -6.659 8.717 1.00 2.54 C ATOM 949 O LEU A 64 -7.289 -7.289 7.750 1.00 54.12 O ATOM 950 CB LEU A 64 -7.917 -7.870 10.966 1.00 42.42 C ATOM 951 CG LEU A 64 -7.099 -8.744 11.919 1.00 42.43 C ATOM 952 CD1 LEU A 64 -8.006 -9.463 12.919 1.00 54.34 C ATOM 953 CD2 LEU A 64 -6.213 -9.721 11.143 1.00 53.32 C ATOM 0 H LEU A 64 -7.531 -5.527 11.654 1.00 0.02 H new ATOM 0 HA LEU A 64 -6.139 -7.337 9.970 1.00 51.10 H new ATOM 0 HB2 LEU A 64 -8.643 -7.307 11.553 1.00 42.42 H new ATOM 0 HB3 LEU A 64 -8.482 -8.523 10.301 1.00 42.42 H new ATOM 0 HG LEU A 64 -6.437 -8.096 12.493 1.00 42.43 H new ATOM 0 HD11 LEU A 64 -7.399 -10.077 13.584 1.00 54.34 H new ATOM 0 HD12 LEU A 64 -8.556 -8.727 13.506 1.00 54.34 H new ATOM 0 HD13 LEU A 64 -8.710 -10.098 12.381 1.00 54.34 H new ATOM 0 HD21 LEU A 64 -5.642 -10.330 11.844 1.00 53.32 H new ATOM 0 HD22 LEU A 64 -6.837 -10.367 10.526 1.00 53.32 H new ATOM 0 HD23 LEU A 64 -5.527 -9.163 10.506 1.00 53.32 H new ATOM 965 N LYS A 65 -8.683 -5.759 8.660 1.00 14.53 N ATOM 966 CA LYS A 65 -9.339 -5.443 7.402 1.00 25.23 C ATOM 967 C LYS A 65 -8.343 -4.741 6.476 1.00 75.31 C ATOM 968 O LYS A 65 -8.598 -4.596 5.281 1.00 12.34 O ATOM 969 CB LYS A 65 -10.618 -4.642 7.651 1.00 51.13 C ATOM 970 CG LYS A 65 -10.304 -3.159 7.861 1.00 33.22 C ATOM 971 CD LYS A 65 -11.393 -2.482 8.696 1.00 51.43 C ATOM 972 CE LYS A 65 -12.785 -2.951 8.266 1.00 4.15 C ATOM 973 NZ LYS A 65 -13.191 -4.144 9.042 1.00 60.44 N ATOM 0 H LYS A 65 -9.031 -5.238 9.465 1.00 14.53 H new ATOM 0 HA LYS A 65 -9.656 -6.355 6.897 1.00 25.23 H new ATOM 0 HB2 LYS A 65 -11.295 -4.758 6.804 1.00 51.13 H new ATOM 0 HB3 LYS A 65 -11.133 -5.036 8.527 1.00 51.13 H new ATOM 0 HG2 LYS A 65 -9.340 -3.054 8.360 1.00 33.22 H new ATOM 0 HG3 LYS A 65 -10.219 -2.661 6.895 1.00 33.22 H new ATOM 0 HD2 LYS A 65 -11.240 -2.707 9.751 1.00 51.43 H new ATOM 0 HD3 LYS A 65 -11.320 -1.400 8.587 1.00 51.43 H new ATOM 0 HE2 LYS A 65 -13.508 -2.149 8.415 1.00 4.15 H new ATOM 0 HE3 LYS A 65 -12.784 -3.185 7.201 1.00 4.15 H new ATOM 0 HZ1 LYS A 65 -14.194 -4.063 9.303 1.00 60.44 H new ATOM 0 HZ2 LYS A 65 -13.051 -4.998 8.465 1.00 60.44 H new ATOM 0 HZ3 LYS A 65 -12.613 -4.210 9.904 1.00 60.44 H new ATOM 986 N LEU A 66 -7.231 -4.325 7.062 1.00 4.11 N ATOM 987 CA LEU A 66 -6.196 -3.642 6.304 1.00 10.22 C ATOM 988 C LEU A 66 -5.150 -4.660 5.846 1.00 44.41 C ATOM 989 O LEU A 66 -3.988 -4.311 5.639 1.00 12.04 O ATOM 990 CB LEU A 66 -5.613 -2.484 7.117 1.00 51.35 C ATOM 991 CG LEU A 66 -6.617 -1.659 7.925 1.00 70.40 C ATOM 992 CD1 LEU A 66 -5.912 -0.549 8.706 1.00 42.21 C ATOM 993 CD2 LEU A 66 -7.727 -1.112 7.026 1.00 51.33 C ATOM 0 H LEU A 66 -7.023 -4.447 8.053 1.00 4.11 H new ATOM 0 HA LEU A 66 -6.616 -3.190 5.405 1.00 10.22 H new ATOM 0 HB2 LEU A 66 -4.868 -2.887 7.803 1.00 51.35 H new ATOM 0 HB3 LEU A 66 -5.089 -1.815 6.435 1.00 51.35 H new ATOM 0 HG LEU A 66 -7.089 -2.316 8.655 1.00 70.40 H new ATOM 0 HD11 LEU A 66 -6.648 0.022 9.271 1.00 42.21 H new ATOM 0 HD12 LEU A 66 -5.189 -0.990 9.393 1.00 42.21 H new ATOM 0 HD13 LEU A 66 -5.395 0.113 8.011 1.00 42.21 H new ATOM 0 HD21 LEU A 66 -8.427 -0.530 7.625 1.00 51.33 H new ATOM 0 HD22 LEU A 66 -7.291 -0.475 6.256 1.00 51.33 H new ATOM 0 HD23 LEU A 66 -8.255 -1.941 6.555 1.00 51.33 H new ATOM 1005 N PHE A 67 -5.599 -5.898 5.700 1.00 3.53 N ATOM 1006 CA PHE A 67 -4.716 -6.968 5.270 1.00 24.32 C ATOM 1007 C PHE A 67 -4.317 -6.795 3.803 1.00 12.42 C ATOM 1008 O PHE A 67 -3.417 -7.476 3.316 1.00 65.10 O ATOM 1009 CB PHE A 67 -5.492 -8.277 5.424 1.00 72.40 C ATOM 1010 CG PHE A 67 -4.739 -9.511 4.921 1.00 41.41 C ATOM 1011 CD1 PHE A 67 -3.568 -9.878 5.507 1.00 20.11 C ATOM 1012 CD2 PHE A 67 -5.240 -10.239 3.888 1.00 72.13 C ATOM 1013 CE1 PHE A 67 -2.869 -11.022 5.040 1.00 21.42 C ATOM 1014 CE2 PHE A 67 -4.541 -11.383 3.421 1.00 60.42 C ATOM 1015 CZ PHE A 67 -3.370 -11.751 4.007 1.00 51.01 C ATOM 0 H PHE A 67 -6.563 -6.184 5.872 1.00 3.53 H new ATOM 0 HA PHE A 67 -3.805 -6.962 5.869 1.00 24.32 H new ATOM 0 HB2 PHE A 67 -5.739 -8.419 6.476 1.00 72.40 H new ATOM 0 HB3 PHE A 67 -6.435 -8.194 4.883 1.00 72.40 H new ATOM 0 HD1 PHE A 67 -3.170 -9.299 6.327 1.00 20.11 H new ATOM 0 HD2 PHE A 67 -6.170 -9.947 3.423 1.00 72.13 H new ATOM 0 HE1 PHE A 67 -1.939 -11.313 5.505 1.00 21.42 H new ATOM 0 HE2 PHE A 67 -4.939 -11.961 2.600 1.00 60.42 H new ATOM 0 HZ PHE A 67 -2.838 -12.622 3.652 1.00 51.01 H new ATOM 1025 N LEU A 68 -5.008 -5.879 3.140 1.00 3.31 N ATOM 1026 CA LEU A 68 -4.737 -5.607 1.739 1.00 53.14 C ATOM 1027 C LEU A 68 -3.915 -4.322 1.622 1.00 12.22 C ATOM 1028 O LEU A 68 -3.360 -4.029 0.564 1.00 33.32 O ATOM 1029 CB LEU A 68 -6.040 -5.578 0.937 1.00 34.13 C ATOM 1030 CG LEU A 68 -6.926 -6.820 1.052 1.00 31.33 C ATOM 1031 CD1 LEU A 68 -8.320 -6.555 0.479 1.00 65.21 C ATOM 1032 CD2 LEU A 68 -6.259 -8.032 0.399 1.00 24.10 C ATOM 0 H LEU A 68 -5.755 -5.316 3.547 1.00 3.31 H new ATOM 0 HA LEU A 68 -4.139 -6.409 1.305 1.00 53.14 H new ATOM 0 HB2 LEU A 68 -6.620 -4.712 1.255 1.00 34.13 H new ATOM 0 HB3 LEU A 68 -5.793 -5.428 -0.114 1.00 34.13 H new ATOM 0 HG LEU A 68 -7.052 -7.052 2.109 1.00 31.33 H new ATOM 0 HD11 LEU A 68 -8.929 -7.454 0.573 1.00 65.21 H new ATOM 0 HD12 LEU A 68 -8.790 -5.739 1.028 1.00 65.21 H new ATOM 0 HD13 LEU A 68 -8.235 -6.283 -0.573 1.00 65.21 H new ATOM 0 HD21 LEU A 68 -6.910 -8.901 0.495 1.00 24.10 H new ATOM 0 HD22 LEU A 68 -6.083 -7.825 -0.657 1.00 24.10 H new ATOM 0 HD23 LEU A 68 -5.309 -8.234 0.893 1.00 24.10 H new ATOM 1044 N GLN A 69 -3.863 -3.589 2.725 1.00 51.34 N ATOM 1045 CA GLN A 69 -3.118 -2.342 2.760 1.00 51.34 C ATOM 1046 C GLN A 69 -1.614 -2.621 2.724 1.00 51.44 C ATOM 1047 O GLN A 69 -0.809 -1.694 2.639 1.00 33.33 O ATOM 1048 CB GLN A 69 -3.493 -1.513 3.990 1.00 22.52 C ATOM 1049 CG GLN A 69 -4.917 -0.967 3.870 1.00 3.43 C ATOM 1050 CD GLN A 69 -5.135 0.209 4.826 1.00 61.55 C ATOM 1051 OE1 GLN A 69 -4.205 0.864 5.267 1.00 54.12 O ATOM 1052 NE2 GLN A 69 -6.412 0.437 5.119 1.00 42.31 N ATOM 0 H GLN A 69 -4.325 -3.835 3.601 1.00 51.34 H new ATOM 0 HA GLN A 69 -3.381 -1.760 1.877 1.00 51.34 H new ATOM 0 HB2 GLN A 69 -3.410 -2.128 4.886 1.00 22.52 H new ATOM 0 HB3 GLN A 69 -2.791 -0.687 4.104 1.00 22.52 H new ATOM 0 HG2 GLN A 69 -5.102 -0.646 2.845 1.00 3.43 H new ATOM 0 HG3 GLN A 69 -5.634 -1.758 4.091 1.00 3.43 H new ATOM 0 HE21 GLN A 69 -7.141 -0.151 4.714 1.00 42.31 H new ATOM 0 HE22 GLN A 69 -6.663 1.199 5.749 1.00 42.31 H new ATOM 1061 N ASN A 70 -1.280 -3.901 2.789 1.00 34.14 N ATOM 1062 CA ASN A 70 0.113 -4.314 2.765 1.00 13.44 C ATOM 1063 C ASN A 70 0.599 -4.369 1.316 1.00 51.32 C ATOM 1064 O ASN A 70 1.687 -3.887 1.004 1.00 71.45 O ATOM 1065 CB ASN A 70 0.285 -5.706 3.375 1.00 23.12 C ATOM 1066 CG ASN A 70 -0.825 -6.650 2.910 1.00 15.10 C ATOM 1067 OD1 ASN A 70 -1.696 -6.291 2.134 1.00 63.33 O ATOM 1068 ND2 ASN A 70 -0.748 -7.873 3.426 1.00 25.04 N ATOM 0 H ASN A 70 -1.950 -4.667 2.858 1.00 34.14 H new ATOM 0 HA ASN A 70 0.689 -3.593 3.345 1.00 13.44 H new ATOM 0 HB2 ASN A 70 1.256 -6.113 3.092 1.00 23.12 H new ATOM 0 HB3 ASN A 70 0.274 -5.634 4.463 1.00 23.12 H new ATOM 0 HD21 ASN A 70 -1.444 -8.576 3.178 1.00 25.04 H new ATOM 0 HD22 ASN A 70 0.007 -8.108 4.070 1.00 25.04 H new ATOM 1075 N PHE A 71 -0.231 -4.960 0.469 1.00 52.51 N ATOM 1076 CA PHE A 71 0.100 -5.084 -0.940 1.00 45.33 C ATOM 1077 C PHE A 71 -0.259 -3.807 -1.703 1.00 12.01 C ATOM 1078 O PHE A 71 -0.226 -3.784 -2.932 1.00 40.33 O ATOM 1079 CB PHE A 71 -0.728 -6.245 -1.494 1.00 42.21 C ATOM 1080 CG PHE A 71 -0.672 -7.512 -0.639 1.00 21.40 C ATOM 1081 CD1 PHE A 71 -1.739 -7.863 0.128 1.00 50.11 C ATOM 1082 CD2 PHE A 71 0.445 -8.289 -0.646 1.00 12.53 C ATOM 1083 CE1 PHE A 71 -1.687 -9.039 0.921 1.00 32.25 C ATOM 1084 CE2 PHE A 71 0.497 -9.465 0.148 1.00 53.10 C ATOM 1085 CZ PHE A 71 -0.570 -9.815 0.915 1.00 74.41 C ATOM 0 H PHE A 71 -1.132 -5.358 0.732 1.00 52.51 H new ATOM 0 HA PHE A 71 1.170 -5.256 -1.056 1.00 45.33 H new ATOM 0 HB2 PHE A 71 -1.766 -5.926 -1.585 1.00 42.21 H new ATOM 0 HB3 PHE A 71 -0.377 -6.481 -2.499 1.00 42.21 H new ATOM 0 HD1 PHE A 71 -2.626 -7.247 0.134 1.00 50.11 H new ATOM 0 HD2 PHE A 71 1.292 -8.011 -1.256 1.00 12.53 H new ATOM 0 HE1 PHE A 71 -2.535 -9.318 1.529 1.00 32.25 H new ATOM 0 HE2 PHE A 71 1.384 -10.081 0.143 1.00 53.10 H new ATOM 0 HZ PHE A 71 -0.530 -10.709 1.519 1.00 74.41 H new ATOM 1095 N LYS A 72 -0.595 -2.776 -0.942 1.00 2.23 N ATOM 1096 CA LYS A 72 -0.960 -1.499 -1.530 1.00 54.43 C ATOM 1097 C LYS A 72 -1.309 -0.510 -0.416 1.00 55.22 C ATOM 1098 O LYS A 72 -1.838 -0.901 0.623 1.00 32.41 O ATOM 1099 CB LYS A 72 -2.076 -1.683 -2.561 1.00 33.34 C ATOM 1100 CG LYS A 72 -1.809 -0.847 -3.814 1.00 15.13 C ATOM 1101 CD LYS A 72 -2.564 0.483 -3.756 1.00 71.24 C ATOM 1102 CE LYS A 72 -4.068 0.268 -3.940 1.00 2.13 C ATOM 1103 NZ LYS A 72 -4.360 -0.208 -5.310 1.00 71.12 N ATOM 0 H LYS A 72 -0.622 -2.799 0.077 1.00 2.23 H new ATOM 0 HA LYS A 72 -0.117 -1.078 -2.078 1.00 54.43 H new ATOM 0 HB2 LYS A 72 -2.155 -2.736 -2.832 1.00 33.34 H new ATOM 0 HB3 LYS A 72 -3.031 -1.394 -2.123 1.00 33.34 H new ATOM 0 HG2 LYS A 72 -0.740 -0.659 -3.909 1.00 15.13 H new ATOM 0 HG3 LYS A 72 -2.114 -1.404 -4.700 1.00 15.13 H new ATOM 0 HD2 LYS A 72 -2.377 0.970 -2.799 1.00 71.24 H new ATOM 0 HD3 LYS A 72 -2.191 1.151 -4.532 1.00 71.24 H new ATOM 0 HE2 LYS A 72 -4.429 -0.458 -3.212 1.00 2.13 H new ATOM 0 HE3 LYS A 72 -4.600 1.200 -3.751 1.00 2.13 H new ATOM 0 HZ1 LYS A 72 -5.360 -0.030 -5.534 1.00 71.12 H new ATOM 0 HZ2 LYS A 72 -3.757 0.299 -5.989 1.00 71.12 H new ATOM 0 HZ3 LYS A 72 -4.168 -1.228 -5.371 1.00 71.12 H new ATOM 1116 N ALA A 73 -1.000 0.753 -0.671 1.00 23.11 N ATOM 1117 CA ALA A 73 -1.274 1.801 0.298 1.00 70.14 C ATOM 1118 C ALA A 73 -2.627 2.442 -0.020 1.00 65.33 C ATOM 1119 O ALA A 73 -2.838 3.622 0.254 1.00 32.25 O ATOM 1120 CB ALA A 73 -0.131 2.817 0.288 1.00 45.32 C ATOM 0 H ALA A 73 -0.563 1.074 -1.535 1.00 23.11 H new ATOM 0 HA ALA A 73 -1.333 1.387 1.305 1.00 70.14 H new ATOM 0 HB1 ALA A 73 -0.336 3.603 1.015 1.00 45.32 H new ATOM 0 HB2 ALA A 73 0.802 2.317 0.548 1.00 45.32 H new ATOM 0 HB3 ALA A 73 -0.043 3.256 -0.706 1.00 45.32 H new ATOM 1126 N GLY A 74 -3.507 1.635 -0.595 1.00 1.42 N ATOM 1127 CA GLY A 74 -4.833 2.109 -0.953 1.00 71.10 C ATOM 1128 C GLY A 74 -5.767 0.938 -1.267 1.00 50.41 C ATOM 1129 O GLY A 74 -6.692 1.075 -2.066 1.00 14.02 O ATOM 0 H GLY A 74 -3.328 0.657 -0.822 1.00 1.42 H new ATOM 0 HA2 GLY A 74 -5.246 2.699 -0.134 1.00 71.10 H new ATOM 0 HA3 GLY A 74 -4.766 2.768 -1.819 1.00 71.10 H new ATOM 1133 N ALA A 75 -5.492 -0.186 -0.622 1.00 51.14 N ATOM 1134 CA ALA A 75 -6.296 -1.380 -0.823 1.00 11.51 C ATOM 1135 C ALA A 75 -7.649 -1.200 -0.131 1.00 23.23 C ATOM 1136 O ALA A 75 -7.779 -0.388 0.783 1.00 14.43 O ATOM 1137 CB ALA A 75 -5.534 -2.601 -0.306 1.00 70.41 C ATOM 0 H ALA A 75 -4.724 -0.295 0.040 1.00 51.14 H new ATOM 0 HA ALA A 75 -6.487 -1.541 -1.884 1.00 11.51 H new ATOM 0 HB1 ALA A 75 -6.137 -3.497 -0.457 1.00 70.41 H new ATOM 0 HB2 ALA A 75 -4.594 -2.700 -0.849 1.00 70.41 H new ATOM 0 HB3 ALA A 75 -5.327 -2.477 0.757 1.00 70.41 H new ATOM 1143 N ARG A 76 -8.621 -1.972 -0.593 1.00 60.50 N ATOM 1144 CA ARG A 76 -9.959 -1.909 -0.030 1.00 21.22 C ATOM 1145 C ARG A 76 -9.985 -2.568 1.351 1.00 13.30 C ATOM 1146 O ARG A 76 -9.102 -3.357 1.683 1.00 12.22 O ATOM 1147 CB ARG A 76 -10.973 -2.606 -0.939 1.00 62.31 C ATOM 1148 CG ARG A 76 -10.864 -4.128 -0.817 1.00 45.42 C ATOM 1149 CD ARG A 76 -11.887 -4.673 0.181 1.00 51.50 C ATOM 1150 NE ARG A 76 -12.176 -6.094 -0.115 1.00 4.41 N ATOM 1151 CZ ARG A 76 -13.310 -6.727 0.250 1.00 75.44 C ATOM 1152 NH1 ARG A 76 -13.463 -8.000 -0.067 1.00 51.33 N ATOM 1153 NH2 ARG A 76 -14.275 -6.070 0.928 1.00 3.11 N ATOM 0 H ARG A 76 -8.509 -2.645 -1.351 1.00 60.50 H new ATOM 0 HA ARG A 76 -10.232 -0.857 0.060 1.00 21.22 H new ATOM 0 HB2 ARG A 76 -11.982 -2.288 -0.676 1.00 62.31 H new ATOM 0 HB3 ARG A 76 -10.805 -2.308 -1.974 1.00 62.31 H new ATOM 0 HG2 ARG A 76 -11.023 -4.587 -1.793 1.00 45.42 H new ATOM 0 HG3 ARG A 76 -9.858 -4.400 -0.497 1.00 45.42 H new ATOM 0 HD2 ARG A 76 -11.504 -4.575 1.197 1.00 51.50 H new ATOM 0 HD3 ARG A 76 -12.805 -4.088 0.129 1.00 51.50 H new ATOM 0 HE ARG A 76 -11.474 -6.628 -0.627 1.00 4.41 H new ATOM 0 HH11 ARG A 76 -12.730 -8.489 -0.580 1.00 51.33 H new ATOM 0 HH12 ARG A 76 -14.314 -8.494 0.201 1.00 51.33 H new ATOM 0 HH21 ARG A 76 -14.150 -5.087 1.168 1.00 3.11 H new ATOM 0 HH22 ARG A 76 -15.129 -6.557 1.200 1.00 3.11 H new ATOM 1166 N ALA A 77 -11.008 -2.219 2.118 1.00 4.13 N ATOM 1167 CA ALA A 77 -11.161 -2.766 3.456 1.00 65.34 C ATOM 1168 C ALA A 77 -12.244 -3.847 3.439 1.00 43.31 C ATOM 1169 O ALA A 77 -13.220 -3.741 2.698 1.00 10.43 O ATOM 1170 CB ALA A 77 -11.479 -1.636 4.437 1.00 72.25 C ATOM 0 H ALA A 77 -11.739 -1.564 1.839 1.00 4.13 H new ATOM 0 HA ALA A 77 -10.234 -3.233 3.788 1.00 65.34 H new ATOM 0 HB1 ALA A 77 -11.594 -2.047 5.440 1.00 72.25 H new ATOM 0 HB2 ALA A 77 -10.665 -0.911 4.433 1.00 72.25 H new ATOM 0 HB3 ALA A 77 -12.405 -1.145 4.138 1.00 72.25 H new ATOM 1176 N LEU A 78 -12.035 -4.862 4.264 1.00 4.12 N ATOM 1177 CA LEU A 78 -12.981 -5.961 4.354 1.00 51.23 C ATOM 1178 C LEU A 78 -14.197 -5.516 5.169 1.00 2.02 C ATOM 1179 O LEU A 78 -14.170 -4.465 5.807 1.00 2.15 O ATOM 1180 CB LEU A 78 -12.297 -7.214 4.904 1.00 43.14 C ATOM 1181 CG LEU A 78 -11.243 -7.854 3.998 1.00 24.43 C ATOM 1182 CD1 LEU A 78 -11.656 -7.766 2.528 1.00 71.31 C ATOM 1183 CD2 LEU A 78 -9.863 -7.240 4.243 1.00 20.15 C ATOM 0 H LEU A 78 -11.224 -4.947 4.877 1.00 4.12 H new ATOM 0 HA LEU A 78 -13.343 -6.233 3.363 1.00 51.23 H new ATOM 0 HB2 LEU A 78 -11.826 -6.960 5.853 1.00 43.14 H new ATOM 0 HB3 LEU A 78 -13.064 -7.958 5.118 1.00 43.14 H new ATOM 0 HG LEU A 78 -11.174 -8.912 4.250 1.00 24.43 H new ATOM 0 HD11 LEU A 78 -10.889 -8.228 1.906 1.00 71.31 H new ATOM 0 HD12 LEU A 78 -12.603 -8.287 2.384 1.00 71.31 H new ATOM 0 HD13 LEU A 78 -11.771 -6.720 2.244 1.00 71.31 H new ATOM 0 HD21 LEU A 78 -9.133 -7.713 3.586 1.00 20.15 H new ATOM 0 HD22 LEU A 78 -9.899 -6.170 4.036 1.00 20.15 H new ATOM 0 HD23 LEU A 78 -9.573 -7.399 5.282 1.00 20.15 H new ATOM 1195 N SER A 79 -15.234 -6.338 5.121 1.00 34.45 N ATOM 1196 CA SER A 79 -16.458 -6.043 5.848 1.00 43.01 C ATOM 1197 C SER A 79 -16.277 -6.369 7.332 1.00 43.11 C ATOM 1198 O SER A 79 -15.301 -7.013 7.715 1.00 14.12 O ATOM 1199 CB SER A 79 -17.641 -6.824 5.274 1.00 55.44 C ATOM 1200 OG SER A 79 -18.891 -6.239 5.631 1.00 3.42 O ATOM 0 H SER A 79 -15.253 -7.209 4.590 1.00 34.45 H new ATOM 0 HA SER A 79 -16.672 -4.980 5.740 1.00 43.01 H new ATOM 0 HB2 SER A 79 -17.556 -6.864 4.188 1.00 55.44 H new ATOM 0 HB3 SER A 79 -17.606 -7.852 5.634 1.00 55.44 H new ATOM 0 HG SER A 79 -19.621 -6.766 5.244 1.00 3.42 H new ATOM 1206 N ASP A 80 -17.232 -5.909 8.127 1.00 61.14 N ATOM 1207 CA ASP A 80 -17.190 -6.144 9.560 1.00 52.40 C ATOM 1208 C ASP A 80 -17.246 -7.649 9.828 1.00 44.11 C ATOM 1209 O ASP A 80 -16.791 -8.114 10.872 1.00 70.32 O ATOM 1210 CB ASP A 80 -18.386 -5.495 10.259 1.00 13.42 C ATOM 1211 CG ASP A 80 -19.690 -5.510 9.459 1.00 71.44 C ATOM 1212 OD1 ASP A 80 -20.670 -6.163 9.847 1.00 31.30 O ATOM 1213 OD2 ASP A 80 -19.675 -4.805 8.378 1.00 32.35 O ATOM 0 H ASP A 80 -18.039 -5.375 7.806 1.00 61.14 H new ATOM 0 HA ASP A 80 -16.267 -5.711 9.946 1.00 52.40 H new ATOM 0 HB2 ASP A 80 -18.554 -6.005 11.208 1.00 13.42 H new ATOM 0 HB3 ASP A 80 -18.133 -4.461 10.493 1.00 13.42 H new ATOM 1219 N ALA A 81 -17.807 -8.368 8.867 1.00 24.32 N ATOM 1220 CA ALA A 81 -17.927 -9.811 8.986 1.00 33.53 C ATOM 1221 C ALA A 81 -16.632 -10.469 8.505 1.00 52.31 C ATOM 1222 O ALA A 81 -16.048 -11.288 9.212 1.00 61.43 O ATOM 1223 CB ALA A 81 -19.150 -10.288 8.200 1.00 33.22 C ATOM 0 H ALA A 81 -18.183 -7.978 8.003 1.00 24.32 H new ATOM 0 HA ALA A 81 -18.075 -10.099 10.027 1.00 33.53 H new ATOM 0 HB1 ALA A 81 -19.240 -11.371 8.289 1.00 33.22 H new ATOM 0 HB2 ALA A 81 -20.047 -9.815 8.600 1.00 33.22 H new ATOM 0 HB3 ALA A 81 -19.035 -10.019 7.150 1.00 33.22 H new ATOM 1229 N GLU A 82 -16.222 -10.084 7.305 1.00 24.43 N ATOM 1230 CA GLU A 82 -15.006 -10.626 6.721 1.00 34.11 C ATOM 1231 C GLU A 82 -13.834 -10.467 7.692 1.00 74.53 C ATOM 1232 O GLU A 82 -13.172 -11.445 8.035 1.00 21.25 O ATOM 1233 CB GLU A 82 -14.700 -9.961 5.378 1.00 2.40 C ATOM 1234 CG GLU A 82 -15.639 -10.474 4.285 1.00 62.24 C ATOM 1235 CD GLU A 82 -15.667 -9.517 3.092 1.00 42.44 C ATOM 1236 OE1 GLU A 82 -15.403 -9.935 1.955 1.00 50.15 O ATOM 1237 OE2 GLU A 82 -15.977 -8.298 3.378 1.00 15.21 O ATOM 0 H GLU A 82 -16.710 -9.404 6.722 1.00 24.43 H new ATOM 0 HA GLU A 82 -15.157 -11.690 6.536 1.00 34.11 H new ATOM 0 HB2 GLU A 82 -14.802 -8.880 5.472 1.00 2.40 H new ATOM 0 HB3 GLU A 82 -13.666 -10.160 5.097 1.00 2.40 H new ATOM 0 HG2 GLU A 82 -15.315 -11.461 3.956 1.00 62.24 H new ATOM 0 HG3 GLU A 82 -16.645 -10.587 4.689 1.00 62.24 H new ATOM 1245 N THR A 83 -13.614 -9.228 8.106 1.00 33.52 N ATOM 1246 CA THR A 83 -12.534 -8.929 9.030 1.00 23.35 C ATOM 1247 C THR A 83 -12.677 -9.762 10.306 1.00 15.52 C ATOM 1248 O THR A 83 -11.683 -10.105 10.943 1.00 63.43 O ATOM 1249 CB THR A 83 -12.534 -7.421 9.286 1.00 40.22 C ATOM 1250 OG1 THR A 83 -12.261 -6.852 8.008 1.00 60.41 O ATOM 1251 CG2 THR A 83 -11.355 -6.973 10.152 1.00 21.42 C ATOM 0 H THR A 83 -14.165 -8.420 7.818 1.00 33.52 H new ATOM 0 HA THR A 83 -11.567 -9.202 8.608 1.00 23.35 H new ATOM 0 HB THR A 83 -13.468 -7.136 9.770 1.00 40.22 H new ATOM 0 HG1 THR A 83 -13.104 -6.681 7.539 1.00 60.41 H new ATOM 0 HG21 THR A 83 -11.403 -5.895 10.303 1.00 21.42 H new ATOM 0 HG22 THR A 83 -11.401 -7.477 11.118 1.00 21.42 H new ATOM 0 HG23 THR A 83 -10.420 -7.228 9.654 1.00 21.42 H new ATOM 1259 N LYS A 84 -13.924 -10.061 10.642 1.00 63.23 N ATOM 1260 CA LYS A 84 -14.211 -10.847 11.830 1.00 5.40 C ATOM 1261 C LYS A 84 -13.713 -12.279 11.622 1.00 12.50 C ATOM 1262 O LYS A 84 -12.829 -12.743 12.340 1.00 35.04 O ATOM 1263 CB LYS A 84 -15.696 -10.757 12.186 1.00 61.12 C ATOM 1264 CG LYS A 84 -15.952 -9.631 13.190 1.00 74.15 C ATOM 1265 CD LYS A 84 -15.772 -10.126 14.626 1.00 12.31 C ATOM 1266 CE LYS A 84 -16.353 -9.125 15.627 1.00 34.43 C ATOM 1267 NZ LYS A 84 -17.805 -9.354 15.805 1.00 1.10 N ATOM 0 H LYS A 84 -14.747 -9.773 10.112 1.00 63.23 H new ATOM 0 HA LYS A 84 -13.676 -10.446 12.691 1.00 5.40 H new ATOM 0 HB2 LYS A 84 -16.280 -10.583 11.282 1.00 61.12 H new ATOM 0 HB3 LYS A 84 -16.031 -11.706 12.605 1.00 61.12 H new ATOM 0 HG2 LYS A 84 -15.267 -8.805 12.998 1.00 74.15 H new ATOM 0 HG3 LYS A 84 -16.963 -9.245 13.059 1.00 74.15 H new ATOM 0 HD2 LYS A 84 -16.262 -11.092 14.746 1.00 12.31 H new ATOM 0 HD3 LYS A 84 -14.713 -10.279 14.832 1.00 12.31 H new ATOM 0 HE2 LYS A 84 -15.843 -9.222 16.585 1.00 34.43 H new ATOM 0 HE3 LYS A 84 -16.180 -8.108 15.276 1.00 34.43 H new ATOM 0 HZ1 LYS A 84 -18.184 -8.667 16.487 1.00 1.10 H new ATOM 0 HZ2 LYS A 84 -18.289 -9.238 14.892 1.00 1.10 H new ATOM 0 HZ3 LYS A 84 -17.963 -10.318 16.161 1.00 1.10 H new ATOM 1280 N ALA A 85 -14.303 -12.938 10.636 1.00 64.23 N ATOM 1281 CA ALA A 85 -13.931 -14.308 10.324 1.00 5.21 C ATOM 1282 C ALA A 85 -12.407 -14.410 10.234 1.00 4.20 C ATOM 1283 O ALA A 85 -11.840 -15.484 10.428 1.00 73.32 O ATOM 1284 CB ALA A 85 -14.621 -14.743 9.030 1.00 15.12 C ATOM 0 H ALA A 85 -15.036 -12.549 10.043 1.00 64.23 H new ATOM 0 HA ALA A 85 -14.261 -14.984 11.113 1.00 5.21 H new ATOM 0 HB1 ALA A 85 -14.342 -15.770 8.796 1.00 15.12 H new ATOM 0 HB2 ALA A 85 -15.702 -14.680 9.155 1.00 15.12 H new ATOM 0 HB3 ALA A 85 -14.312 -14.089 8.215 1.00 15.12 H new ATOM 1290 N PHE A 86 -11.786 -13.277 9.940 1.00 50.31 N ATOM 1291 CA PHE A 86 -10.339 -13.225 9.822 1.00 43.02 C ATOM 1292 C PHE A 86 -9.679 -13.147 11.200 1.00 64.01 C ATOM 1293 O PHE A 86 -8.659 -13.792 11.441 1.00 12.22 O ATOM 1294 CB PHE A 86 -9.999 -11.958 9.034 1.00 13.25 C ATOM 1295 CG PHE A 86 -8.613 -11.980 8.387 1.00 31.11 C ATOM 1296 CD1 PHE A 86 -8.239 -10.979 7.546 1.00 53.11 C ATOM 1297 CD2 PHE A 86 -7.755 -13.001 8.653 1.00 62.01 C ATOM 1298 CE1 PHE A 86 -6.953 -11.000 6.945 1.00 1.41 C ATOM 1299 CE2 PHE A 86 -6.468 -13.022 8.052 1.00 54.30 C ATOM 1300 CZ PHE A 86 -6.095 -12.021 7.211 1.00 44.52 C ATOM 0 H PHE A 86 -12.259 -12.388 9.780 1.00 50.31 H new ATOM 0 HA PHE A 86 -9.974 -14.123 9.324 1.00 43.02 H new ATOM 0 HB2 PHE A 86 -10.749 -11.814 8.256 1.00 13.25 H new ATOM 0 HB3 PHE A 86 -10.063 -11.099 9.702 1.00 13.25 H new ATOM 0 HD1 PHE A 86 -8.920 -10.168 7.335 1.00 53.11 H new ATOM 0 HD2 PHE A 86 -8.052 -13.796 9.321 1.00 62.01 H new ATOM 0 HE1 PHE A 86 -6.656 -10.205 6.277 1.00 1.41 H new ATOM 0 HE2 PHE A 86 -5.786 -13.833 8.263 1.00 54.30 H new ATOM 0 HZ PHE A 86 -5.117 -12.037 6.754 1.00 44.52 H new ATOM 1310 N LEU A 87 -10.287 -12.352 12.068 1.00 43.01 N ATOM 1311 CA LEU A 87 -9.771 -12.181 13.416 1.00 63.45 C ATOM 1312 C LEU A 87 -9.765 -13.534 14.130 1.00 71.41 C ATOM 1313 O LEU A 87 -8.704 -14.058 14.466 1.00 33.42 O ATOM 1314 CB LEU A 87 -10.556 -11.098 14.157 1.00 52.31 C ATOM 1315 CG LEU A 87 -10.180 -10.882 15.624 1.00 1.41 C ATOM 1316 CD1 LEU A 87 -8.692 -10.555 15.766 1.00 21.30 C ATOM 1317 CD2 LEU A 87 -11.065 -9.811 16.265 1.00 32.13 C ATOM 0 H LEU A 87 -11.132 -11.819 11.864 1.00 43.01 H new ATOM 0 HA LEU A 87 -8.739 -11.830 13.388 1.00 63.45 H new ATOM 0 HB2 LEU A 87 -10.425 -10.155 13.626 1.00 52.31 H new ATOM 0 HB3 LEU A 87 -11.616 -11.347 14.107 1.00 52.31 H new ATOM 0 HG LEU A 87 -10.359 -11.813 16.163 1.00 1.41 H new ATOM 0 HD11 LEU A 87 -8.451 -10.406 16.819 1.00 21.30 H new ATOM 0 HD12 LEU A 87 -8.099 -11.380 15.371 1.00 21.30 H new ATOM 0 HD13 LEU A 87 -8.465 -9.646 15.210 1.00 21.30 H new ATOM 0 HD21 LEU A 87 -10.777 -9.677 17.308 1.00 32.13 H new ATOM 0 HD22 LEU A 87 -10.941 -8.869 15.730 1.00 32.13 H new ATOM 0 HD23 LEU A 87 -12.108 -10.123 16.214 1.00 32.13 H new ATOM 1329 N LYS A 88 -10.962 -14.061 14.341 1.00 74.24 N ATOM 1330 CA LYS A 88 -11.109 -15.343 15.009 1.00 61.11 C ATOM 1331 C LYS A 88 -10.264 -16.392 14.283 1.00 42.45 C ATOM 1332 O LYS A 88 -9.766 -17.331 14.902 1.00 52.42 O ATOM 1333 CB LYS A 88 -12.587 -15.720 15.128 1.00 51.52 C ATOM 1334 CG LYS A 88 -13.168 -15.244 16.461 1.00 74.11 C ATOM 1335 CD LYS A 88 -14.670 -15.526 16.536 1.00 53.22 C ATOM 1336 CE LYS A 88 -14.937 -17.005 16.820 1.00 31.31 C ATOM 1337 NZ LYS A 88 -16.336 -17.204 17.262 1.00 25.20 N ATOM 0 H LYS A 88 -11.840 -13.623 14.061 1.00 74.24 H new ATOM 0 HA LYS A 88 -10.736 -15.284 16.031 1.00 61.11 H new ATOM 0 HB2 LYS A 88 -13.147 -15.277 14.304 1.00 51.52 H new ATOM 0 HB3 LYS A 88 -12.698 -16.801 15.044 1.00 51.52 H new ATOM 0 HG2 LYS A 88 -12.659 -15.746 17.284 1.00 74.11 H new ATOM 0 HG3 LYS A 88 -12.989 -14.175 16.579 1.00 74.11 H new ATOM 0 HD2 LYS A 88 -15.120 -14.915 17.319 1.00 53.22 H new ATOM 0 HD3 LYS A 88 -15.144 -15.241 15.597 1.00 53.22 H new ATOM 0 HE2 LYS A 88 -14.746 -17.594 15.923 1.00 31.31 H new ATOM 0 HE3 LYS A 88 -14.252 -17.363 17.589 1.00 31.31 H new ATOM 0 HZ1 LYS A 88 -16.500 -18.213 17.451 1.00 25.20 H new ATOM 0 HZ2 LYS A 88 -16.507 -16.657 18.130 1.00 25.20 H new ATOM 0 HZ3 LYS A 88 -16.985 -16.881 16.516 1.00 25.20 H new ATOM 1350 N ALA A 89 -10.128 -16.196 12.979 1.00 22.12 N ATOM 1351 CA ALA A 89 -9.352 -17.113 12.162 1.00 64.01 C ATOM 1352 C ALA A 89 -7.926 -17.198 12.711 1.00 12.45 C ATOM 1353 O ALA A 89 -7.310 -18.262 12.687 1.00 43.31 O ATOM 1354 CB ALA A 89 -9.388 -16.653 10.703 1.00 3.32 C ATOM 0 H ALA A 89 -10.542 -15.416 12.469 1.00 22.12 H new ATOM 0 HA ALA A 89 -9.780 -18.115 12.199 1.00 64.01 H new ATOM 0 HB1 ALA A 89 -8.806 -17.341 10.090 1.00 3.32 H new ATOM 0 HB2 ALA A 89 -10.420 -16.638 10.352 1.00 3.32 H new ATOM 0 HB3 ALA A 89 -8.964 -15.652 10.627 1.00 3.32 H new ATOM 1360 N GLY A 90 -7.444 -16.062 13.194 1.00 10.05 N ATOM 1361 CA GLY A 90 -6.103 -15.994 13.749 1.00 22.32 C ATOM 1362 C GLY A 90 -6.145 -15.888 15.275 1.00 31.50 C ATOM 1363 O GLY A 90 -5.805 -16.840 15.976 1.00 35.15 O ATOM 0 H GLY A 90 -7.958 -15.181 13.212 1.00 10.05 H new ATOM 0 HA2 GLY A 90 -5.540 -16.881 13.458 1.00 22.32 H new ATOM 0 HA3 GLY A 90 -5.578 -15.133 13.336 1.00 22.32 H new ATOM 1367 N ASP A 91 -6.565 -14.723 15.744 1.00 11.30 N ATOM 1368 CA ASP A 91 -6.656 -14.480 17.174 1.00 72.22 C ATOM 1369 C ASP A 91 -7.314 -15.685 17.850 1.00 14.40 C ATOM 1370 O ASP A 91 -8.454 -16.029 17.540 1.00 64.31 O ATOM 1371 CB ASP A 91 -7.511 -13.246 17.470 1.00 71.43 C ATOM 1372 CG ASP A 91 -7.124 -12.480 18.736 1.00 31.23 C ATOM 1373 OD1 ASP A 91 -5.950 -12.456 19.134 1.00 10.23 O ATOM 1374 OD2 ASP A 91 -8.100 -11.882 19.331 1.00 31.33 O ATOM 0 H ASP A 91 -6.846 -13.936 15.159 1.00 11.30 H new ATOM 0 HA ASP A 91 -5.647 -14.319 17.554 1.00 72.22 H new ATOM 0 HB2 ASP A 91 -7.449 -12.567 16.619 1.00 71.43 H new ATOM 0 HB3 ASP A 91 -8.552 -13.556 17.555 1.00 71.43 H new ATOM 1380 N SER A 92 -6.569 -16.292 18.761 1.00 4.45 N ATOM 1381 CA SER A 92 -7.065 -17.450 19.484 1.00 34.22 C ATOM 1382 C SER A 92 -7.552 -17.031 20.873 1.00 72.41 C ATOM 1383 O SER A 92 -8.211 -17.749 21.600 1.00 54.54 O ATOM 1384 CB SER A 92 -5.987 -18.529 19.603 1.00 72.23 C ATOM 1385 OG SER A 92 -4.675 -17.974 19.616 1.00 50.54 O ATOM 0 H SER A 92 -5.624 -16.003 19.015 1.00 4.45 H new ATOM 0 HA SER A 92 -7.901 -17.870 18.924 1.00 34.22 H new ATOM 0 HB2 SER A 92 -6.147 -19.102 20.516 1.00 72.23 H new ATOM 0 HB3 SER A 92 -6.078 -19.225 18.769 1.00 72.23 H new ATOM 0 HG SER A 92 -4.016 -18.695 19.695 1.00 50.54 H new ATOM 1391 N ASP A 93 -7.208 -15.827 21.238 1.00 63.51 N ATOM 1392 CA ASP A 93 -7.626 -15.300 22.567 1.00 11.41 C ATOM 1393 C ASP A 93 -8.774 -14.299 22.395 1.00 4.05 C ATOM 1394 O ASP A 93 -9.345 -13.899 23.409 1.00 70.04 O ATOM 1395 CB ASP A 93 -6.385 -14.602 23.125 1.00 64.54 C ATOM 1396 CG ASP A 93 -6.168 -13.278 22.390 1.00 31.53 C ATOM 1397 OD1 ASP A 93 -5.461 -12.437 22.921 1.00 32.12 O ATOM 1398 OD2 ASP A 93 -6.714 -13.126 21.310 1.00 44.55 O ATOM 0 H ASP A 93 -6.654 -15.184 20.672 1.00 63.51 H new ATOM 0 HA ASP A 93 -7.983 -16.086 23.232 1.00 11.41 H new ATOM 0 HB2 ASP A 93 -6.506 -14.421 24.193 1.00 64.54 H new ATOM 0 HB3 ASP A 93 -5.511 -15.243 23.007 1.00 64.54 H new ATOM 1403 N GLY A 94 -9.079 -13.921 21.163 1.00 42.40 N ATOM 1404 CA GLY A 94 -10.150 -12.971 20.915 1.00 14.03 C ATOM 1405 C GLY A 94 -10.035 -11.760 21.843 1.00 41.41 C ATOM 1406 O GLY A 94 -10.921 -11.511 22.659 1.00 73.23 O ATOM 0 H GLY A 94 -8.603 -14.255 20.325 1.00 42.40 H new ATOM 0 HA2 GLY A 94 -10.116 -12.642 19.876 1.00 14.03 H new ATOM 0 HA3 GLY A 94 -11.114 -13.457 21.064 1.00 14.03 H new ATOM 1410 N ASP A 95 -8.935 -11.038 21.687 1.00 41.22 N ATOM 1411 CA ASP A 95 -8.692 -9.859 22.500 1.00 1.51 C ATOM 1412 C ASP A 95 -8.933 -8.605 21.657 1.00 4.52 C ATOM 1413 O ASP A 95 -9.202 -7.532 22.196 1.00 23.22 O ATOM 1414 CB ASP A 95 -7.246 -9.822 23.000 1.00 73.24 C ATOM 1415 CG ASP A 95 -6.182 -9.986 21.912 1.00 12.33 C ATOM 1416 OD1 ASP A 95 -6.353 -10.766 20.964 1.00 61.01 O ATOM 1417 OD2 ASP A 95 -5.127 -9.261 22.069 1.00 2.41 O ATOM 0 H ASP A 95 -8.202 -11.247 21.009 1.00 41.22 H new ATOM 0 HA ASP A 95 -9.368 -9.894 23.354 1.00 1.51 H new ATOM 0 HB2 ASP A 95 -7.078 -8.874 23.512 1.00 73.24 H new ATOM 0 HB3 ASP A 95 -7.113 -10.611 23.740 1.00 73.24 H new ATOM 1423 N GLY A 96 -8.827 -8.781 20.348 1.00 1.14 N ATOM 1424 CA GLY A 96 -9.030 -7.677 19.426 1.00 43.13 C ATOM 1425 C GLY A 96 -7.739 -7.346 18.674 1.00 5.04 C ATOM 1426 O GLY A 96 -7.716 -6.444 17.838 1.00 34.21 O ATOM 0 H GLY A 96 -8.603 -9.672 19.904 1.00 1.14 H new ATOM 0 HA2 GLY A 96 -9.814 -7.933 18.714 1.00 43.13 H new ATOM 0 HA3 GLY A 96 -9.371 -6.799 19.974 1.00 43.13 H new ATOM 1430 N LYS A 97 -6.694 -8.094 19.000 1.00 52.44 N ATOM 1431 CA LYS A 97 -5.402 -7.891 18.366 1.00 54.11 C ATOM 1432 C LYS A 97 -4.859 -9.237 17.884 1.00 23.51 C ATOM 1433 O LYS A 97 -5.211 -10.283 18.427 1.00 72.41 O ATOM 1434 CB LYS A 97 -4.454 -7.147 19.308 1.00 13.52 C ATOM 1435 CG LYS A 97 -5.158 -5.959 19.969 1.00 71.42 C ATOM 1436 CD LYS A 97 -4.267 -5.317 21.034 1.00 41.14 C ATOM 1437 CE LYS A 97 -4.346 -6.088 22.353 1.00 55.41 C ATOM 1438 NZ LYS A 97 -5.460 -5.579 23.184 1.00 13.31 N ATOM 0 H LYS A 97 -6.716 -8.841 19.694 1.00 52.44 H new ATOM 0 HA LYS A 97 -5.504 -7.255 17.487 1.00 54.11 H new ATOM 0 HB2 LYS A 97 -4.088 -7.830 20.075 1.00 13.52 H new ATOM 0 HB3 LYS A 97 -3.585 -6.796 18.752 1.00 13.52 H new ATOM 0 HG2 LYS A 97 -5.418 -5.219 19.212 1.00 71.42 H new ATOM 0 HG3 LYS A 97 -6.092 -6.292 20.423 1.00 71.42 H new ATOM 0 HD2 LYS A 97 -3.235 -5.293 20.684 1.00 41.14 H new ATOM 0 HD3 LYS A 97 -4.573 -4.283 21.194 1.00 41.14 H new ATOM 0 HE2 LYS A 97 -4.489 -7.150 22.153 1.00 55.41 H new ATOM 0 HE3 LYS A 97 -3.406 -5.990 22.895 1.00 55.41 H new ATOM 0 HZ1 LYS A 97 -5.500 -6.113 24.076 1.00 13.31 H new ATOM 0 HZ2 LYS A 97 -5.307 -4.571 23.390 1.00 13.31 H new ATOM 0 HZ3 LYS A 97 -6.357 -5.695 22.671 1.00 13.31 H new ATOM 1451 N ILE A 98 -4.009 -9.168 16.870 1.00 1.30 N ATOM 1452 CA ILE A 98 -3.413 -10.368 16.309 1.00 70.31 C ATOM 1453 C ILE A 98 -1.899 -10.179 16.202 1.00 44.44 C ATOM 1454 O ILE A 98 -1.423 -9.415 15.362 1.00 30.25 O ATOM 1455 CB ILE A 98 -4.083 -10.729 14.982 1.00 72.13 C ATOM 1456 CG1 ILE A 98 -5.412 -11.451 15.217 1.00 42.23 C ATOM 1457 CG2 ILE A 98 -3.139 -11.542 14.094 1.00 43.34 C ATOM 1458 CD1 ILE A 98 -5.863 -12.192 13.957 1.00 74.03 C ATOM 0 H ILE A 98 -3.719 -8.299 16.422 1.00 1.30 H new ATOM 0 HA ILE A 98 -3.582 -11.220 16.967 1.00 70.31 H new ATOM 0 HB ILE A 98 -4.308 -9.804 14.451 1.00 72.13 H new ATOM 0 HG12 ILE A 98 -5.306 -12.157 16.040 1.00 42.23 H new ATOM 0 HG13 ILE A 98 -6.175 -10.730 15.512 1.00 42.23 H new ATOM 0 HG21 ILE A 98 -3.640 -11.785 13.157 1.00 43.34 H new ATOM 0 HG22 ILE A 98 -2.243 -10.958 13.885 1.00 43.34 H new ATOM 0 HG23 ILE A 98 -2.861 -12.463 14.606 1.00 43.34 H new ATOM 0 HD11 ILE A 98 -6.810 -12.697 14.151 1.00 74.03 H new ATOM 0 HD12 ILE A 98 -5.992 -11.479 13.142 1.00 74.03 H new ATOM 0 HD13 ILE A 98 -5.109 -12.929 13.679 1.00 74.03 H new ATOM 1470 N GLY A 99 -1.183 -10.886 17.063 1.00 32.24 N ATOM 1471 CA GLY A 99 0.268 -10.805 17.076 1.00 74.30 C ATOM 1472 C GLY A 99 0.870 -11.572 15.897 1.00 72.12 C ATOM 1473 O GLY A 99 0.172 -11.883 14.933 1.00 42.04 O ATOM 0 H GLY A 99 -1.581 -11.518 17.758 1.00 32.24 H new ATOM 0 HA2 GLY A 99 0.578 -9.761 17.032 1.00 74.30 H new ATOM 0 HA3 GLY A 99 0.650 -11.212 18.012 1.00 74.30 H new ATOM 1477 N ILE A 100 2.159 -11.855 16.013 1.00 51.14 N ATOM 1478 CA ILE A 100 2.863 -12.579 14.968 1.00 30.41 C ATOM 1479 C ILE A 100 2.647 -14.082 15.161 1.00 53.31 C ATOM 1480 O ILE A 100 2.563 -14.830 14.189 1.00 64.35 O ATOM 1481 CB ILE A 100 4.337 -12.170 14.932 1.00 13.20 C ATOM 1482 CG1 ILE A 100 4.891 -12.243 13.508 1.00 63.01 C ATOM 1483 CG2 ILE A 100 5.162 -13.006 15.912 1.00 2.43 C ATOM 1484 CD1 ILE A 100 5.285 -13.676 13.146 1.00 63.40 C ATOM 0 H ILE A 100 2.734 -11.596 16.815 1.00 51.14 H new ATOM 0 HA ILE A 100 2.460 -12.321 13.989 1.00 30.41 H new ATOM 0 HB ILE A 100 4.412 -11.131 15.254 1.00 13.20 H new ATOM 0 HG12 ILE A 100 4.143 -11.879 12.804 1.00 63.01 H new ATOM 0 HG13 ILE A 100 5.759 -11.590 13.418 1.00 63.01 H new ATOM 0 HG21 ILE A 100 6.206 -12.695 15.866 1.00 2.43 H new ATOM 0 HG22 ILE A 100 4.783 -12.859 16.924 1.00 2.43 H new ATOM 0 HG23 ILE A 100 5.085 -14.060 15.645 1.00 2.43 H new ATOM 0 HD11 ILE A 100 5.676 -13.700 12.129 1.00 63.40 H new ATOM 0 HD12 ILE A 100 6.051 -14.028 13.837 1.00 63.40 H new ATOM 0 HD13 ILE A 100 4.410 -14.322 13.214 1.00 63.40 H new ATOM 1496 N ASP A 101 2.562 -14.478 16.422 1.00 10.24 N ATOM 1497 CA ASP A 101 2.357 -15.877 16.755 1.00 20.32 C ATOM 1498 C ASP A 101 0.940 -16.291 16.353 1.00 51.43 C ATOM 1499 O ASP A 101 0.695 -17.453 16.034 1.00 23.22 O ATOM 1500 CB ASP A 101 2.509 -16.114 18.259 1.00 43.10 C ATOM 1501 CG ASP A 101 3.479 -15.166 18.968 1.00 63.53 C ATOM 1502 OD1 ASP A 101 3.122 -14.509 19.957 1.00 64.51 O ATOM 1503 OD2 ASP A 101 4.663 -15.117 18.457 1.00 1.54 O ATOM 0 H ASP A 101 2.631 -13.854 17.226 1.00 10.24 H new ATOM 0 HA ASP A 101 3.104 -16.463 16.220 1.00 20.32 H new ATOM 0 HB2 ASP A 101 1.529 -16.023 18.727 1.00 43.10 H new ATOM 0 HB3 ASP A 101 2.845 -17.139 18.418 1.00 43.10 H new ATOM 1509 N GLU A 102 0.043 -15.316 16.380 1.00 3.50 N ATOM 1510 CA GLU A 102 -1.343 -15.563 16.022 1.00 60.30 C ATOM 1511 C GLU A 102 -1.545 -15.372 14.518 1.00 40.35 C ATOM 1512 O GLU A 102 -2.354 -16.065 13.903 1.00 31.00 O ATOM 1513 CB GLU A 102 -2.285 -14.661 16.821 1.00 53.10 C ATOM 1514 CG GLU A 102 -2.693 -15.324 18.138 1.00 0.54 C ATOM 1515 CD GLU A 102 -2.970 -14.274 19.217 1.00 31.31 C ATOM 1516 OE1 GLU A 102 -4.160 -14.124 19.570 1.00 23.34 O ATOM 1517 OE2 GLU A 102 -1.986 -13.646 19.664 1.00 71.11 O ATOM 0 H GLU A 102 0.250 -14.353 16.645 1.00 3.50 H new ATOM 0 HA GLU A 102 -1.584 -16.596 16.273 1.00 60.30 H new ATOM 0 HB2 GLU A 102 -1.796 -13.709 17.025 1.00 53.10 H new ATOM 0 HB3 GLU A 102 -3.174 -14.442 16.229 1.00 53.10 H new ATOM 0 HG2 GLU A 102 -3.583 -15.934 17.982 1.00 0.54 H new ATOM 0 HG3 GLU A 102 -1.901 -15.995 18.472 1.00 0.54 H new ATOM 1524 N PHE A 103 -0.796 -14.428 13.968 1.00 44.44 N ATOM 1525 CA PHE A 103 -0.882 -14.136 12.547 1.00 73.13 C ATOM 1526 C PHE A 103 -0.155 -15.201 11.723 1.00 33.12 C ATOM 1527 O PHE A 103 -0.548 -15.494 10.595 1.00 53.21 O ATOM 1528 CB PHE A 103 -0.201 -12.784 12.325 1.00 32.22 C ATOM 1529 CG PHE A 103 0.219 -12.529 10.876 1.00 32.02 C ATOM 1530 CD1 PHE A 103 -0.721 -12.483 9.894 1.00 41.40 C ATOM 1531 CD2 PHE A 103 1.532 -12.349 10.570 1.00 14.23 C ATOM 1532 CE1 PHE A 103 -0.331 -12.246 8.549 1.00 11.13 C ATOM 1533 CE2 PHE A 103 1.921 -12.112 9.226 1.00 64.15 C ATOM 1534 CZ PHE A 103 0.982 -12.066 8.243 1.00 13.33 C ATOM 0 H PHE A 103 -0.126 -13.855 14.481 1.00 44.44 H new ATOM 0 HA PHE A 103 -1.926 -14.122 12.233 1.00 73.13 H new ATOM 0 HB2 PHE A 103 -0.879 -11.991 12.641 1.00 32.22 H new ATOM 0 HB3 PHE A 103 0.680 -12.723 12.964 1.00 32.22 H new ATOM 0 HD1 PHE A 103 -1.763 -12.627 10.137 1.00 41.40 H new ATOM 0 HD2 PHE A 103 2.278 -12.386 11.350 1.00 14.23 H new ATOM 0 HE1 PHE A 103 -1.077 -12.209 7.769 1.00 11.13 H new ATOM 0 HE2 PHE A 103 2.964 -11.968 8.983 1.00 64.15 H new ATOM 0 HZ PHE A 103 1.279 -11.887 7.220 1.00 13.33 H new ATOM 1544 N ALA A 104 0.892 -15.752 12.319 1.00 0.43 N ATOM 1545 CA ALA A 104 1.677 -16.778 11.655 1.00 5.10 C ATOM 1546 C ALA A 104 1.048 -18.147 11.920 1.00 23.12 C ATOM 1547 O ALA A 104 1.508 -19.158 11.391 1.00 34.24 O ATOM 1548 CB ALA A 104 3.128 -16.700 12.134 1.00 65.31 C ATOM 0 H ALA A 104 1.215 -15.507 13.255 1.00 0.43 H new ATOM 0 HA ALA A 104 1.681 -16.621 10.576 1.00 5.10 H new ATOM 0 HB1 ALA A 104 3.717 -17.470 11.636 1.00 65.31 H new ATOM 0 HB2 ALA A 104 3.538 -15.718 11.896 1.00 65.31 H new ATOM 0 HB3 ALA A 104 3.164 -16.856 13.212 1.00 65.31 H new ATOM 1554 N ALA A 105 0.007 -18.136 12.739 1.00 12.41 N ATOM 1555 CA ALA A 105 -0.690 -19.364 13.081 1.00 51.11 C ATOM 1556 C ALA A 105 -1.742 -19.663 12.011 1.00 63.33 C ATOM 1557 O ALA A 105 -1.755 -20.750 11.435 1.00 22.21 O ATOM 1558 CB ALA A 105 -1.301 -19.233 14.478 1.00 44.03 C ATOM 0 H ALA A 105 -0.371 -17.295 13.176 1.00 12.41 H new ATOM 0 HA ALA A 105 0.004 -20.204 13.106 1.00 51.11 H new ATOM 0 HB1 ALA A 105 -1.824 -20.154 14.734 1.00 44.03 H new ATOM 0 HB2 ALA A 105 -0.510 -19.050 15.205 1.00 44.03 H new ATOM 0 HB3 ALA A 105 -2.005 -18.401 14.491 1.00 44.03 H new ATOM 1564 N MET A 106 -2.598 -18.680 11.776 1.00 1.35 N ATOM 1565 CA MET A 106 -3.651 -18.824 10.786 1.00 62.14 C ATOM 1566 C MET A 106 -3.081 -19.291 9.444 1.00 13.13 C ATOM 1567 O MET A 106 -3.807 -19.836 8.614 1.00 43.22 O ATOM 1568 CB MET A 106 -4.364 -17.483 10.599 1.00 63.32 C ATOM 1569 CG MET A 106 -3.367 -16.376 10.249 1.00 21.43 C ATOM 1570 SD MET A 106 -4.048 -14.784 10.680 1.00 4.42 S ATOM 1571 CE MET A 106 -5.771 -15.075 10.320 1.00 73.33 C ATOM 0 H MET A 106 -2.584 -17.780 12.255 1.00 1.35 H new ATOM 0 HA MET A 106 -4.358 -19.574 11.141 1.00 62.14 H new ATOM 0 HB2 MET A 106 -5.109 -17.570 9.808 1.00 63.32 H new ATOM 0 HB3 MET A 106 -4.898 -17.221 11.512 1.00 63.32 H new ATOM 0 HG2 MET A 106 -2.430 -16.537 10.783 1.00 21.43 H new ATOM 0 HG3 MET A 106 -3.136 -16.406 9.184 1.00 21.43 H new ATOM 0 HE1 MET A 106 -6.334 -14.153 10.467 1.00 73.33 H new ATOM 0 HE2 MET A 106 -5.876 -15.403 9.286 1.00 73.33 H new ATOM 0 HE3 MET A 106 -6.157 -15.846 10.987 1.00 73.33 H new ATOM 1581 N ILE A 107 -1.788 -19.060 9.275 1.00 42.15 N ATOM 1582 CA ILE A 107 -1.113 -19.450 8.048 1.00 4.14 C ATOM 1583 C ILE A 107 -0.415 -20.795 8.261 1.00 11.00 C ATOM 1584 O ILE A 107 -0.471 -21.670 7.399 1.00 65.25 O ATOM 1585 CB ILE A 107 -0.173 -18.338 7.577 1.00 55.11 C ATOM 1586 CG1 ILE A 107 0.674 -17.808 8.735 1.00 20.04 C ATOM 1587 CG2 ILE A 107 -0.953 -17.221 6.879 1.00 23.22 C ATOM 1588 CD1 ILE A 107 1.811 -16.922 8.223 1.00 40.04 C ATOM 0 H ILE A 107 -1.190 -18.608 9.966 1.00 42.15 H new ATOM 0 HA ILE A 107 -1.835 -19.588 7.243 1.00 4.14 H new ATOM 0 HB ILE A 107 0.514 -18.759 6.843 1.00 55.11 H new ATOM 0 HG12 ILE A 107 0.045 -17.239 9.419 1.00 20.04 H new ATOM 0 HG13 ILE A 107 1.086 -18.644 9.301 1.00 20.04 H new ATOM 0 HG21 ILE A 107 -0.262 -16.443 6.554 1.00 23.22 H new ATOM 0 HG22 ILE A 107 -1.475 -17.628 6.013 1.00 23.22 H new ATOM 0 HG23 ILE A 107 -1.678 -16.795 7.573 1.00 23.22 H new ATOM 0 HD11 ILE A 107 2.397 -16.559 9.067 1.00 40.04 H new ATOM 0 HD12 ILE A 107 2.452 -17.501 7.558 1.00 40.04 H new ATOM 0 HD13 ILE A 107 1.395 -16.074 7.679 1.00 40.04 H new ATOM 1600 N LYS A 108 0.225 -20.917 9.414 1.00 24.43 N ATOM 1601 CA LYS A 108 0.933 -22.141 9.751 1.00 10.02 C ATOM 1602 C LYS A 108 -0.077 -23.276 9.932 1.00 51.21 C ATOM 1603 O LYS A 108 0.295 -24.448 9.932 1.00 34.35 O ATOM 1604 CB LYS A 108 1.835 -21.921 10.967 1.00 12.15 C ATOM 1605 CG LYS A 108 2.446 -23.241 11.443 1.00 13.40 C ATOM 1606 CD LYS A 108 3.829 -23.015 12.056 1.00 2.22 C ATOM 1607 CE LYS A 108 4.576 -24.339 12.226 1.00 22.23 C ATOM 1608 NZ LYS A 108 4.261 -24.947 13.538 1.00 34.42 N ATOM 0 H LYS A 108 0.268 -20.189 10.127 1.00 24.43 H new ATOM 0 HA LYS A 108 1.598 -22.432 8.938 1.00 10.02 H new ATOM 0 HB2 LYS A 108 2.629 -21.219 10.713 1.00 12.15 H new ATOM 0 HB3 LYS A 108 1.259 -21.471 11.775 1.00 12.15 H new ATOM 0 HG2 LYS A 108 1.790 -23.705 12.179 1.00 13.40 H new ATOM 0 HG3 LYS A 108 2.525 -23.933 10.604 1.00 13.40 H new ATOM 0 HD2 LYS A 108 4.408 -22.346 11.420 1.00 2.22 H new ATOM 0 HD3 LYS A 108 3.726 -22.524 13.024 1.00 2.22 H new ATOM 0 HE2 LYS A 108 4.300 -25.025 11.425 1.00 22.23 H new ATOM 0 HE3 LYS A 108 5.650 -24.171 12.145 1.00 22.23 H new ATOM 0 HZ1 LYS A 108 4.776 -25.845 13.637 1.00 34.42 H new ATOM 0 HZ2 LYS A 108 4.547 -24.298 14.299 1.00 34.42 H new ATOM 0 HZ3 LYS A 108 3.238 -25.126 13.601 1.00 34.42 H new ATOM 1621 N GLY A 109 -1.335 -22.887 10.081 1.00 60.30 N ATOM 1622 CA GLY A 109 -2.401 -23.858 10.262 1.00 15.51 C ATOM 1623 C GLY A 109 -3.773 -23.182 10.204 1.00 50.11 C ATOM 1624 O GLY A 109 -3.931 -22.050 10.659 1.00 33.32 O ATOM 0 H GLY A 109 -1.640 -21.914 10.080 1.00 60.30 H new ATOM 0 HA2 GLY A 109 -2.336 -24.624 9.489 1.00 15.51 H new ATOM 0 HA3 GLY A 109 -2.280 -24.362 11.221 1.00 15.51 H new