USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= 0.221 K(o=0.32,f=-1.7) USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0.0953 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.12) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 30 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.12) USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.979 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=-0.0022) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.44) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 61 THR OG1 : rot 165:sc= 0.0325 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0157) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 72 SER OG : rot 180:sc= 0.114 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -156:sc= -0.0432 (180deg=-0.411) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 111:sc= 0.86 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.544 -0.914 -6.917 1.00 63.41 N ATOM 28 CA HIS A 14 1.410 -1.307 -8.024 1.00 14.40 C ATOM 29 C HIS A 14 0.610 -1.446 -9.316 1.00 13.22 C ATOM 30 O HIS A 14 -0.407 -2.138 -9.355 1.00 13.43 O ATOM 31 CB HIS A 14 2.117 -2.624 -7.704 1.00 40.30 C ATOM 32 CG HIS A 14 1.203 -3.678 -7.160 1.00 11.13 C ATOM 33 ND1 HIS A 14 0.546 -4.590 -7.958 1.00 64.25 N ATOM 34 CD2 HIS A 14 0.839 -3.963 -5.888 1.00 15.03 C ATOM 35 CE1 HIS A 14 -0.184 -5.390 -7.201 1.00 44.25 C ATOM 36 NE2 HIS A 14 -0.024 -5.031 -5.941 1.00 5.44 N ATOM 0 HA HIS A 14 2.158 -0.527 -8.162 1.00 14.40 H new ATOM 0 HB2 HIS A 14 2.594 -3.000 -8.609 1.00 40.30 H new ATOM 0 HB3 HIS A 14 2.910 -2.435 -6.981 1.00 40.30 H new ATOM 0 HD2 HIS A 14 1.166 -3.447 -4.997 1.00 15.03 H new ATOM 0 HE1 HIS A 14 -0.806 -6.200 -7.553 1.00 44.25 H new ATOM 0 HE2 HIS A 14 -0.469 -5.474 -5.137 1.00 5.44 H new ATOM 44 N GLN A 15 1.076 -0.784 -10.369 1.00 45.54 N ATOM 45 CA GLN A 15 0.403 -0.833 -11.662 1.00 1.13 C ATOM 46 C GLN A 15 1.368 -1.261 -12.762 1.00 42.24 C ATOM 47 O GLN A 15 2.474 -0.731 -12.875 1.00 1.34 O ATOM 48 CB GLN A 15 -0.201 0.532 -11.999 1.00 24.45 C ATOM 49 CG GLN A 15 0.790 1.679 -11.887 1.00 40.32 C ATOM 50 CD GLN A 15 0.514 2.575 -10.696 1.00 55.41 C ATOM 51 OE1 GLN A 15 -0.610 3.039 -10.501 1.00 54.10 O ATOM 52 NE2 GLN A 15 1.540 2.824 -9.891 1.00 50.32 N ATOM 0 H GLN A 15 1.917 -0.207 -10.353 1.00 45.54 H new ATOM 0 HA GLN A 15 -0.397 -1.570 -11.599 1.00 1.13 H new ATOM 0 HB2 GLN A 15 -0.599 0.504 -13.014 1.00 24.45 H new ATOM 0 HB3 GLN A 15 -1.042 0.723 -11.332 1.00 24.45 H new ATOM 0 HG2 GLN A 15 1.799 1.275 -11.807 1.00 40.32 H new ATOM 0 HG3 GLN A 15 0.756 2.274 -12.800 1.00 40.32 H new ATOM 0 HE21 GLN A 15 2.455 2.419 -10.090 1.00 50.32 H new ATOM 0 HE22 GLN A 15 1.414 3.421 -9.073 1.00 50.32 H new ATOM 61 N THR A 16 0.943 -2.224 -13.574 1.00 21.31 N ATOM 62 CA THR A 16 1.770 -2.725 -14.665 1.00 12.21 C ATOM 63 C THR A 16 0.912 -3.183 -15.839 1.00 23.53 C ATOM 64 O THR A 16 -0.022 -3.967 -15.669 1.00 51.03 O ATOM 65 CB THR A 16 2.659 -3.896 -14.205 1.00 14.33 C ATOM 66 OG1 THR A 16 2.911 -3.796 -12.799 1.00 31.03 O ATOM 67 CG2 THR A 16 3.978 -3.904 -14.962 1.00 73.14 C ATOM 0 H THR A 16 0.030 -2.673 -13.497 1.00 21.31 H new ATOM 0 HA THR A 16 2.407 -1.900 -14.984 1.00 12.21 H new ATOM 0 HB THR A 16 2.133 -4.827 -14.415 1.00 14.33 H new ATOM 0 HG1 THR A 16 3.475 -4.545 -12.514 1.00 31.03 H new ATOM 0 HG21 THR A 16 4.589 -4.740 -14.620 1.00 73.14 H new ATOM 0 HG22 THR A 16 3.784 -4.009 -16.029 1.00 73.14 H new ATOM 0 HG23 THR A 16 4.508 -2.969 -14.780 1.00 73.14 H new ATOM 75 N VAL A 17 1.236 -2.691 -17.030 1.00 40.02 N ATOM 76 CA VAL A 17 0.496 -3.052 -18.233 1.00 61.15 C ATOM 77 C VAL A 17 1.346 -3.910 -19.165 1.00 13.44 C ATOM 78 O VAL A 17 2.564 -3.744 -19.239 1.00 75.03 O ATOM 79 CB VAL A 17 0.021 -1.801 -18.996 1.00 74.55 C ATOM 80 CG1 VAL A 17 -0.870 -2.195 -20.165 1.00 35.23 C ATOM 81 CG2 VAL A 17 -0.706 -0.850 -18.058 1.00 40.32 C ATOM 0 H VAL A 17 2.006 -2.041 -17.188 1.00 40.02 H new ATOM 0 HA VAL A 17 -0.374 -3.624 -17.910 1.00 61.15 H new ATOM 0 HB VAL A 17 0.895 -1.285 -19.394 1.00 74.55 H new ATOM 0 HG11 VAL A 17 -1.196 -1.298 -20.692 1.00 35.23 H new ATOM 0 HG12 VAL A 17 -0.312 -2.835 -20.848 1.00 35.23 H new ATOM 0 HG13 VAL A 17 -1.741 -2.734 -19.793 1.00 35.23 H new ATOM 0 HG21 VAL A 17 -1.035 0.028 -18.613 1.00 40.32 H new ATOM 0 HG22 VAL A 17 -1.572 -1.353 -17.629 1.00 40.32 H new ATOM 0 HG23 VAL A 17 -0.033 -0.542 -17.258 1.00 40.32 H new ATOM 91 N TYR A 18 0.696 -4.826 -19.873 1.00 53.13 N ATOM 92 CA TYR A 18 1.392 -5.712 -20.799 1.00 53.41 C ATOM 93 C TYR A 18 1.026 -5.386 -22.244 1.00 13.11 C ATOM 94 O TYR A 18 -0.151 -5.328 -22.601 1.00 32.22 O ATOM 95 CB TYR A 18 1.054 -7.172 -20.492 1.00 40.43 C ATOM 96 CG TYR A 18 1.123 -7.513 -19.021 1.00 10.20 C ATOM 97 CD1 TYR A 18 2.294 -8.004 -18.456 1.00 14.10 C ATOM 98 CD2 TYR A 18 0.018 -7.345 -18.196 1.00 72.10 C ATOM 99 CE1 TYR A 18 2.361 -8.318 -17.112 1.00 43.23 C ATOM 100 CE2 TYR A 18 0.077 -7.655 -16.851 1.00 52.11 C ATOM 101 CZ TYR A 18 1.251 -8.141 -16.314 1.00 35.00 C ATOM 102 OH TYR A 18 1.313 -8.452 -14.975 1.00 31.10 O ATOM 0 H TYR A 18 -0.312 -4.975 -19.824 1.00 53.13 H new ATOM 0 HA TYR A 18 2.464 -5.560 -20.672 1.00 53.41 H new ATOM 0 HB2 TYR A 18 0.051 -7.389 -20.860 1.00 40.43 H new ATOM 0 HB3 TYR A 18 1.741 -7.818 -21.039 1.00 40.43 H new ATOM 0 HD1 TYR A 18 3.166 -8.142 -19.078 1.00 14.10 H new ATOM 0 HD2 TYR A 18 -0.903 -6.966 -18.613 1.00 72.10 H new ATOM 0 HE1 TYR A 18 3.278 -8.700 -16.689 1.00 43.23 H new ATOM 0 HE2 TYR A 18 -0.791 -7.518 -16.223 1.00 52.11 H new ATOM 0 HH TYR A 18 0.446 -8.268 -14.556 1.00 31.10 H new ATOM 112 N VAL A 19 2.044 -5.174 -23.072 1.00 73.21 N ATOM 113 CA VAL A 19 1.831 -4.856 -24.479 1.00 62.10 C ATOM 114 C VAL A 19 2.654 -5.771 -25.380 1.00 13.34 C ATOM 115 O VAL A 19 3.751 -6.196 -25.016 1.00 55.12 O ATOM 116 CB VAL A 19 2.195 -3.391 -24.784 1.00 40.13 C ATOM 117 CG1 VAL A 19 1.852 -3.044 -26.225 1.00 63.52 C ATOM 118 CG2 VAL A 19 1.485 -2.454 -23.819 1.00 3.13 C ATOM 0 H VAL A 19 3.024 -5.217 -22.793 1.00 73.21 H new ATOM 0 HA VAL A 19 0.771 -5.009 -24.682 1.00 62.10 H new ATOM 0 HB VAL A 19 3.270 -3.267 -24.651 1.00 40.13 H new ATOM 0 HG11 VAL A 19 2.116 -2.005 -26.422 1.00 63.52 H new ATOM 0 HG12 VAL A 19 2.410 -3.694 -26.899 1.00 63.52 H new ATOM 0 HG13 VAL A 19 0.783 -3.184 -26.388 1.00 63.52 H new ATOM 0 HG21 VAL A 19 1.754 -1.423 -24.049 1.00 3.13 H new ATOM 0 HG22 VAL A 19 0.407 -2.579 -23.918 1.00 3.13 H new ATOM 0 HG23 VAL A 19 1.785 -2.688 -22.798 1.00 3.13 H new ATOM 128 N LYS A 20 2.117 -6.070 -26.558 1.00 22.23 N ATOM 129 CA LYS A 20 2.801 -6.933 -27.513 1.00 61.33 C ATOM 130 C LYS A 20 4.227 -6.451 -27.758 1.00 64.20 C ATOM 131 O LYS A 20 4.557 -5.283 -27.554 1.00 0.33 O ATOM 132 CB LYS A 20 2.032 -6.975 -28.836 1.00 33.35 C ATOM 133 CG LYS A 20 1.559 -5.611 -29.308 1.00 34.45 C ATOM 134 CD LYS A 20 1.590 -5.504 -30.823 1.00 10.11 C ATOM 135 CE LYS A 20 2.999 -5.248 -31.334 1.00 64.55 C ATOM 136 NZ LYS A 20 2.996 -4.475 -32.607 1.00 11.42 N ATOM 0 H LYS A 20 1.210 -5.727 -26.874 1.00 22.23 H new ATOM 0 HA LYS A 20 2.843 -7.937 -27.091 1.00 61.33 H new ATOM 0 HB2 LYS A 20 2.669 -7.415 -29.603 1.00 33.35 H new ATOM 0 HB3 LYS A 20 1.169 -7.631 -28.724 1.00 33.35 H new ATOM 0 HG2 LYS A 20 0.545 -5.433 -28.950 1.00 34.45 H new ATOM 0 HG3 LYS A 20 2.191 -4.836 -28.875 1.00 34.45 H new ATOM 0 HD2 LYS A 20 1.204 -6.424 -31.262 1.00 10.11 H new ATOM 0 HD3 LYS A 20 0.932 -4.697 -31.145 1.00 10.11 H new ATOM 0 HE2 LYS A 20 3.565 -4.702 -30.579 1.00 64.55 H new ATOM 0 HE3 LYS A 20 3.508 -6.200 -31.488 1.00 64.55 H new ATOM 0 HZ1 LYS A 20 3.975 -4.321 -32.922 1.00 11.42 H new ATOM 0 HZ2 LYS A 20 2.477 -5.007 -33.335 1.00 11.42 H new ATOM 0 HZ3 LYS A 20 2.533 -3.556 -32.454 1.00 11.42 H new ATOM 150 N PRO A 21 5.095 -7.370 -28.208 1.00 33.44 N ATOM 151 CA PRO A 21 6.499 -7.061 -28.492 1.00 22.21 C ATOM 152 C PRO A 21 6.660 -6.168 -29.717 1.00 74.13 C ATOM 153 O PRO A 21 5.709 -5.950 -30.468 1.00 74.20 O ATOM 154 CB PRO A 21 7.120 -8.437 -28.748 1.00 4.33 C ATOM 155 CG PRO A 21 5.985 -9.286 -29.204 1.00 32.22 C ATOM 156 CD PRO A 21 4.771 -8.782 -28.474 1.00 31.05 C ATOM 0 HA PRO A 21 6.968 -6.511 -27.676 1.00 22.21 H new ATOM 0 HB2 PRO A 21 7.903 -8.383 -29.504 1.00 4.33 H new ATOM 0 HB3 PRO A 21 7.577 -8.839 -27.844 1.00 4.33 H new ATOM 0 HG2 PRO A 21 5.851 -9.211 -30.283 1.00 32.22 H new ATOM 0 HG3 PRO A 21 6.168 -10.336 -28.978 1.00 32.22 H new ATOM 0 HD2 PRO A 21 3.869 -8.880 -29.078 1.00 31.05 H new ATOM 0 HD3 PRO A 21 4.598 -9.336 -27.551 1.00 31.05 H new ATOM 164 N VAL A 22 7.869 -5.653 -29.915 1.00 23.35 N ATOM 165 CA VAL A 22 8.155 -4.785 -31.050 1.00 54.33 C ATOM 166 C VAL A 22 9.033 -5.492 -32.076 1.00 73.22 C ATOM 167 O VAL A 22 9.772 -6.425 -31.760 1.00 14.21 O ATOM 168 CB VAL A 22 8.852 -3.486 -30.603 1.00 34.24 C ATOM 169 CG1 VAL A 22 7.855 -2.544 -29.946 1.00 15.14 C ATOM 170 CG2 VAL A 22 10.004 -3.798 -29.660 1.00 32.33 C ATOM 0 H VAL A 22 8.667 -5.822 -29.303 1.00 23.35 H new ATOM 0 HA VAL A 22 7.197 -4.536 -31.506 1.00 54.33 H new ATOM 0 HB VAL A 22 9.258 -2.990 -31.484 1.00 34.24 H new ATOM 0 HG11 VAL A 22 8.365 -1.632 -29.637 1.00 15.14 H new ATOM 0 HG12 VAL A 22 7.067 -2.296 -30.656 1.00 15.14 H new ATOM 0 HG13 VAL A 22 7.417 -3.029 -29.073 1.00 15.14 H new ATOM 0 HG21 VAL A 22 10.485 -2.869 -29.354 1.00 32.33 H new ATOM 0 HG22 VAL A 22 9.624 -4.317 -28.780 1.00 32.33 H new ATOM 0 HG23 VAL A 22 10.730 -4.432 -30.169 1.00 32.33 H new ATOM 180 N PRO A 23 8.952 -5.040 -33.336 1.00 42.33 N ATOM 181 CA PRO A 23 9.734 -5.615 -34.435 1.00 52.53 C ATOM 182 C PRO A 23 11.221 -5.302 -34.314 1.00 63.01 C ATOM 183 O PRO A 23 11.641 -4.462 -33.517 1.00 70.44 O ATOM 184 CB PRO A 23 9.146 -4.942 -35.678 1.00 74.23 C ATOM 185 CG PRO A 23 8.578 -3.657 -35.182 1.00 25.35 C ATOM 186 CD PRO A 23 8.093 -3.932 -33.785 1.00 55.42 C ATOM 0 HA PRO A 23 9.673 -6.703 -34.453 1.00 52.53 H new ATOM 0 HB2 PRO A 23 9.912 -4.770 -36.434 1.00 74.23 H new ATOM 0 HB3 PRO A 23 8.377 -5.563 -36.138 1.00 74.23 H new ATOM 0 HG2 PRO A 23 9.332 -2.870 -35.186 1.00 25.35 H new ATOM 0 HG3 PRO A 23 7.761 -3.319 -35.820 1.00 25.35 H new ATOM 0 HD2 PRO A 23 8.198 -3.057 -33.144 1.00 55.42 H new ATOM 0 HD3 PRO A 23 7.039 -4.211 -33.773 1.00 55.42 H new ATOM 194 N PRO A 24 12.040 -5.992 -35.123 1.00 15.14 N ATOM 195 CA PRO A 24 13.493 -5.804 -35.125 1.00 3.10 C ATOM 196 C PRO A 24 13.902 -4.453 -35.702 1.00 3.00 C ATOM 197 O PRO A 24 15.010 -3.973 -35.461 1.00 45.44 O ATOM 198 CB PRO A 24 13.997 -6.941 -36.018 1.00 35.14 C ATOM 199 CG PRO A 24 12.848 -7.258 -36.911 1.00 54.25 C ATOM 200 CD PRO A 24 11.608 -7.008 -36.097 1.00 63.12 C ATOM 0 HA PRO A 24 13.907 -5.820 -34.117 1.00 3.10 H new ATOM 0 HB2 PRO A 24 14.872 -6.636 -36.592 1.00 35.14 H new ATOM 0 HB3 PRO A 24 14.290 -7.809 -35.427 1.00 35.14 H new ATOM 0 HG2 PRO A 24 12.862 -6.631 -37.802 1.00 54.25 H new ATOM 0 HG3 PRO A 24 12.891 -8.293 -37.249 1.00 54.25 H new ATOM 0 HD2 PRO A 24 10.786 -6.648 -36.716 1.00 63.12 H new ATOM 0 HD3 PRO A 24 11.261 -7.916 -35.604 1.00 63.12 H new ATOM 208 N THR A 25 13.000 -3.843 -36.465 1.00 5.11 N ATOM 209 CA THR A 25 13.268 -2.547 -37.077 1.00 33.52 C ATOM 210 C THR A 25 12.997 -1.411 -36.098 1.00 2.32 C ATOM 211 O THR A 25 13.722 -0.416 -36.071 1.00 32.50 O ATOM 212 CB THR A 25 12.413 -2.336 -38.340 1.00 52.15 C ATOM 213 OG1 THR A 25 12.177 -3.591 -38.988 1.00 71.02 O ATOM 214 CG2 THR A 25 13.101 -1.383 -39.306 1.00 13.40 C ATOM 0 H THR A 25 12.078 -4.226 -36.674 1.00 5.11 H new ATOM 0 HA THR A 25 14.322 -2.540 -37.355 1.00 33.52 H new ATOM 0 HB THR A 25 11.461 -1.899 -38.038 1.00 52.15 H new ATOM 0 HG1 THR A 25 11.631 -3.448 -39.789 1.00 71.02 H new ATOM 0 HG21 THR A 25 12.478 -1.249 -40.191 1.00 13.40 H new ATOM 0 HG22 THR A 25 13.253 -0.419 -38.820 1.00 13.40 H new ATOM 0 HG23 THR A 25 14.065 -1.797 -39.600 1.00 13.40 H new ATOM 222 N ALA A 26 11.950 -1.565 -35.294 1.00 51.32 N ATOM 223 CA ALA A 26 11.586 -0.552 -34.311 1.00 53.24 C ATOM 224 C ALA A 26 12.726 -0.304 -33.330 1.00 42.00 C ATOM 225 O ALA A 26 13.046 -1.160 -32.504 1.00 43.32 O ATOM 226 CB ALA A 26 10.326 -0.968 -33.566 1.00 24.51 C ATOM 0 H ALA A 26 11.339 -2.382 -35.304 1.00 51.32 H new ATOM 0 HA ALA A 26 11.390 0.380 -34.842 1.00 53.24 H new ATOM 0 HB1 ALA A 26 10.066 -0.202 -32.835 1.00 24.51 H new ATOM 0 HB2 ALA A 26 9.507 -1.086 -34.275 1.00 24.51 H new ATOM 0 HB3 ALA A 26 10.502 -1.914 -33.054 1.00 24.51 H new ATOM 232 N THR A 27 13.338 0.873 -33.425 1.00 71.44 N ATOM 233 CA THR A 27 14.444 1.232 -32.548 1.00 2.25 C ATOM 234 C THR A 27 13.939 1.874 -31.260 1.00 74.34 C ATOM 235 O THR A 27 12.744 2.137 -31.113 1.00 62.52 O ATOM 236 CB THR A 27 15.420 2.201 -33.242 1.00 1.04 C ATOM 237 OG1 THR A 27 14.798 2.781 -34.394 1.00 24.30 O ATOM 238 CG2 THR A 27 16.695 1.481 -33.655 1.00 51.10 C ATOM 0 H THR A 27 13.085 1.593 -34.101 1.00 71.44 H new ATOM 0 HA THR A 27 14.970 0.308 -32.309 1.00 2.25 H new ATOM 0 HB THR A 27 15.680 2.989 -32.535 1.00 1.04 H new ATOM 0 HG1 THR A 27 15.424 3.397 -34.829 1.00 24.30 H new ATOM 0 HG21 THR A 27 17.369 2.185 -34.143 1.00 51.10 H new ATOM 0 HG22 THR A 27 17.181 1.066 -32.772 1.00 51.10 H new ATOM 0 HG23 THR A 27 16.450 0.675 -34.347 1.00 51.10 H new ATOM 246 N LEU A 28 14.854 2.124 -30.331 1.00 12.42 N ATOM 247 CA LEU A 28 14.500 2.737 -29.055 1.00 24.32 C ATOM 248 C LEU A 28 14.079 4.190 -29.246 1.00 45.33 C ATOM 249 O LEU A 28 13.088 4.639 -28.673 1.00 55.32 O ATOM 250 CB LEU A 28 15.681 2.659 -28.085 1.00 41.42 C ATOM 251 CG LEU A 28 15.336 2.326 -26.633 1.00 65.23 C ATOM 252 CD1 LEU A 28 16.496 1.607 -25.961 1.00 50.20 C ATOM 253 CD2 LEU A 28 14.974 3.590 -25.867 1.00 72.33 C ATOM 0 H LEU A 28 15.846 1.912 -30.437 1.00 12.42 H new ATOM 0 HA LEU A 28 13.657 2.187 -28.637 1.00 24.32 H new ATOM 0 HB2 LEU A 28 16.379 1.907 -28.453 1.00 41.42 H new ATOM 0 HB3 LEU A 28 16.204 3.615 -28.103 1.00 41.42 H new ATOM 0 HG LEU A 28 14.471 1.662 -26.628 1.00 65.23 H new ATOM 0 HD11 LEU A 28 16.233 1.378 -24.928 1.00 50.20 H new ATOM 0 HD12 LEU A 28 16.709 0.681 -26.495 1.00 50.20 H new ATOM 0 HD13 LEU A 28 17.379 2.246 -25.977 1.00 50.20 H new ATOM 0 HD21 LEU A 28 14.731 3.334 -24.836 1.00 72.33 H new ATOM 0 HD22 LEU A 28 15.819 4.278 -25.881 1.00 72.33 H new ATOM 0 HD23 LEU A 28 14.112 4.065 -26.335 1.00 72.33 H new ATOM 265 N GLU A 29 14.840 4.919 -30.058 1.00 14.24 N ATOM 266 CA GLU A 29 14.544 6.322 -30.325 1.00 74.34 C ATOM 267 C GLU A 29 13.181 6.472 -30.996 1.00 31.23 C ATOM 268 O GLU A 29 12.409 7.370 -30.660 1.00 60.42 O ATOM 269 CB GLU A 29 15.630 6.935 -31.211 1.00 1.20 C ATOM 270 CG GLU A 29 15.370 8.387 -31.577 1.00 33.25 C ATOM 271 CD GLU A 29 16.645 9.152 -31.870 1.00 3.53 C ATOM 272 OE1 GLU A 29 17.329 8.809 -32.857 1.00 22.23 O ATOM 273 OE2 GLU A 29 16.960 10.094 -31.113 1.00 11.51 O ATOM 0 H GLU A 29 15.664 4.562 -30.541 1.00 14.24 H new ATOM 0 HA GLU A 29 14.521 6.850 -29.372 1.00 74.34 H new ATOM 0 HB2 GLU A 29 16.589 6.865 -30.697 1.00 1.20 H new ATOM 0 HB3 GLU A 29 15.715 6.348 -32.126 1.00 1.20 H new ATOM 0 HG2 GLU A 29 14.718 8.427 -32.450 1.00 33.25 H new ATOM 0 HG3 GLU A 29 14.838 8.874 -30.760 1.00 33.25 H new ATOM 280 N GLN A 30 12.894 5.586 -31.944 1.00 40.45 N ATOM 281 CA GLN A 30 11.626 5.621 -32.663 1.00 14.22 C ATOM 282 C GLN A 30 10.462 5.310 -31.728 1.00 13.24 C ATOM 283 O GLN A 30 9.453 6.017 -31.719 1.00 33.33 O ATOM 284 CB GLN A 30 11.644 4.624 -33.822 1.00 64.52 C ATOM 285 CG GLN A 30 11.345 5.254 -35.173 1.00 11.35 C ATOM 286 CD GLN A 30 12.478 5.077 -36.164 1.00 21.12 C ATOM 287 OE1 GLN A 30 13.648 5.264 -35.827 1.00 54.53 O ATOM 288 NE2 GLN A 30 12.137 4.713 -37.394 1.00 51.14 N ATOM 0 H GLN A 30 13.522 4.836 -32.232 1.00 40.45 H new ATOM 0 HA GLN A 30 11.491 6.627 -33.061 1.00 14.22 H new ATOM 0 HB2 GLN A 30 12.622 4.145 -33.863 1.00 64.52 H new ATOM 0 HB3 GLN A 30 10.913 3.840 -33.627 1.00 64.52 H new ATOM 0 HG2 GLN A 30 10.437 4.812 -35.583 1.00 11.35 H new ATOM 0 HG3 GLN A 30 11.149 6.318 -35.038 1.00 11.35 H new ATOM 0 HE21 GLN A 30 11.155 4.569 -37.629 1.00 51.14 H new ATOM 0 HE22 GLN A 30 12.857 4.577 -38.104 1.00 51.14 H new ATOM 297 N LEU A 31 10.608 4.249 -30.942 1.00 10.00 N ATOM 298 CA LEU A 31 9.568 3.844 -30.002 1.00 63.43 C ATOM 299 C LEU A 31 9.228 4.980 -29.043 1.00 62.21 C ATOM 300 O LEU A 31 8.066 5.365 -28.906 1.00 25.01 O ATOM 301 CB LEU A 31 10.018 2.612 -29.214 1.00 0.53 C ATOM 302 CG LEU A 31 9.440 1.273 -29.672 1.00 53.44 C ATOM 303 CD1 LEU A 31 10.272 0.120 -29.134 1.00 41.03 C ATOM 304 CD2 LEU A 31 7.990 1.139 -29.230 1.00 51.11 C ATOM 0 H LEU A 31 11.436 3.654 -30.937 1.00 10.00 H new ATOM 0 HA LEU A 31 8.673 3.596 -30.572 1.00 63.43 H new ATOM 0 HB2 LEU A 31 11.105 2.551 -29.263 1.00 0.53 H new ATOM 0 HB3 LEU A 31 9.754 2.759 -28.167 1.00 0.53 H new ATOM 0 HG LEU A 31 9.472 1.239 -30.761 1.00 53.44 H new ATOM 0 HD11 LEU A 31 9.845 -0.825 -29.470 1.00 41.03 H new ATOM 0 HD12 LEU A 31 11.295 0.207 -29.501 1.00 41.03 H new ATOM 0 HD13 LEU A 31 10.274 0.150 -28.044 1.00 41.03 H new ATOM 0 HD21 LEU A 31 7.595 0.180 -29.565 1.00 51.11 H new ATOM 0 HD22 LEU A 31 7.934 1.195 -28.143 1.00 51.11 H new ATOM 0 HD23 LEU A 31 7.401 1.946 -29.665 1.00 51.11 H new ATOM 316 N THR A 32 10.250 5.515 -28.382 1.00 13.03 N ATOM 317 CA THR A 32 10.060 6.608 -27.436 1.00 72.23 C ATOM 318 C THR A 32 9.412 7.812 -28.110 1.00 74.44 C ATOM 319 O THR A 32 8.489 8.417 -27.565 1.00 64.03 O ATOM 320 CB THR A 32 11.396 7.044 -26.806 1.00 51.33 C ATOM 321 OG1 THR A 32 12.120 5.897 -26.349 1.00 61.42 O ATOM 322 CG2 THR A 32 11.161 7.998 -25.644 1.00 75.44 C ATOM 0 H THR A 32 11.218 5.209 -28.484 1.00 13.03 H new ATOM 0 HA THR A 32 9.401 6.236 -26.651 1.00 72.23 H new ATOM 0 HB THR A 32 11.979 7.561 -27.568 1.00 51.33 H new ATOM 0 HG1 THR A 32 12.563 5.466 -27.109 1.00 61.42 H new ATOM 0 HG21 THR A 32 12.119 8.292 -25.215 1.00 75.44 H new ATOM 0 HG22 THR A 32 10.636 8.884 -26.001 1.00 75.44 H new ATOM 0 HG23 THR A 32 10.559 7.502 -24.882 1.00 75.44 H new ATOM 330 N GLU A 33 9.900 8.153 -29.299 1.00 32.40 N ATOM 331 CA GLU A 33 9.366 9.285 -30.047 1.00 5.23 C ATOM 332 C GLU A 33 7.856 9.159 -30.221 1.00 13.54 C ATOM 333 O GLU A 33 7.098 10.044 -29.821 1.00 72.21 O ATOM 334 CB GLU A 33 10.042 9.384 -31.416 1.00 40.30 C ATOM 335 CG GLU A 33 9.470 10.481 -32.299 1.00 21.31 C ATOM 336 CD GLU A 33 10.327 10.753 -33.520 1.00 2.22 C ATOM 337 OE1 GLU A 33 11.494 11.163 -33.345 1.00 51.32 O ATOM 338 OE2 GLU A 33 9.832 10.557 -34.649 1.00 72.10 O ATOM 0 H GLU A 33 10.663 7.662 -29.764 1.00 32.40 H new ATOM 0 HA GLU A 33 9.574 10.193 -29.480 1.00 5.23 H new ATOM 0 HB2 GLU A 33 11.108 9.562 -31.274 1.00 40.30 H new ATOM 0 HB3 GLU A 33 9.945 8.428 -31.930 1.00 40.30 H new ATOM 0 HG2 GLU A 33 8.467 10.199 -32.619 1.00 21.31 H new ATOM 0 HG3 GLU A 33 9.373 11.397 -31.717 1.00 21.31 H new ATOM 345 N PHE A 34 7.425 8.055 -30.820 1.00 70.52 N ATOM 346 CA PHE A 34 6.005 7.813 -31.049 1.00 62.31 C ATOM 347 C PHE A 34 5.230 7.841 -29.735 1.00 51.22 C ATOM 348 O PHE A 34 4.110 8.349 -29.673 1.00 71.21 O ATOM 349 CB PHE A 34 5.801 6.466 -31.746 1.00 24.45 C ATOM 350 CG PHE A 34 5.837 6.554 -33.244 1.00 44.25 C ATOM 351 CD1 PHE A 34 6.998 6.930 -33.902 1.00 33.02 C ATOM 352 CD2 PHE A 34 4.711 6.262 -33.996 1.00 54.11 C ATOM 353 CE1 PHE A 34 7.034 7.012 -35.281 1.00 43.11 C ATOM 354 CE2 PHE A 34 4.741 6.342 -35.375 1.00 44.15 C ATOM 355 CZ PHE A 34 5.904 6.719 -36.019 1.00 22.32 C ATOM 0 H PHE A 34 8.039 7.313 -31.156 1.00 70.52 H new ATOM 0 HA PHE A 34 5.626 8.608 -31.691 1.00 62.31 H new ATOM 0 HB2 PHE A 34 6.573 5.773 -31.412 1.00 24.45 H new ATOM 0 HB3 PHE A 34 4.843 6.048 -31.438 1.00 24.45 H new ATOM 0 HD1 PHE A 34 7.884 7.161 -33.330 1.00 33.02 H new ATOM 0 HD2 PHE A 34 3.799 5.968 -33.498 1.00 54.11 H new ATOM 0 HE1 PHE A 34 7.945 7.305 -35.781 1.00 43.11 H new ATOM 0 HE2 PHE A 34 3.856 6.110 -35.949 1.00 44.15 H new ATOM 0 HZ PHE A 34 5.929 6.784 -37.097 1.00 22.32 H new ATOM 365 N PHE A 35 5.834 7.292 -28.687 1.00 31.23 N ATOM 366 CA PHE A 35 5.201 7.252 -27.374 1.00 13.23 C ATOM 367 C PHE A 35 4.846 8.658 -26.898 1.00 42.12 C ATOM 368 O PHE A 35 3.685 8.956 -26.618 1.00 40.05 O ATOM 369 CB PHE A 35 6.125 6.576 -26.359 1.00 13.24 C ATOM 370 CG PHE A 35 5.614 5.249 -25.874 1.00 1.42 C ATOM 371 CD1 PHE A 35 4.351 5.141 -25.314 1.00 24.30 C ATOM 372 CD2 PHE A 35 6.397 4.111 -25.978 1.00 2.04 C ATOM 373 CE1 PHE A 35 3.878 3.921 -24.867 1.00 43.22 C ATOM 374 CE2 PHE A 35 5.929 2.889 -25.533 1.00 63.10 C ATOM 375 CZ PHE A 35 4.669 2.794 -24.976 1.00 51.00 C ATOM 0 H PHE A 35 6.761 6.868 -28.721 1.00 31.23 H new ATOM 0 HA PHE A 35 4.281 6.673 -27.459 1.00 13.23 H new ATOM 0 HB2 PHE A 35 7.107 6.435 -26.811 1.00 13.24 H new ATOM 0 HB3 PHE A 35 6.260 7.239 -25.504 1.00 13.24 H new ATOM 0 HD1 PHE A 35 3.729 6.020 -25.226 1.00 24.30 H new ATOM 0 HD2 PHE A 35 7.384 4.179 -26.411 1.00 2.04 H new ATOM 0 HE1 PHE A 35 2.892 3.849 -24.433 1.00 43.22 H new ATOM 0 HE2 PHE A 35 6.549 2.009 -25.621 1.00 63.10 H new ATOM 0 HZ PHE A 35 4.303 1.840 -24.626 1.00 51.00 H new ATOM 385 N SER A 36 5.856 9.518 -26.809 1.00 14.22 N ATOM 386 CA SER A 36 5.652 10.892 -26.363 1.00 64.31 C ATOM 387 C SER A 36 4.643 11.608 -27.255 1.00 12.34 C ATOM 388 O SER A 36 3.830 12.401 -26.779 1.00 55.34 O ATOM 389 CB SER A 36 6.980 11.652 -26.363 1.00 70.02 C ATOM 390 OG SER A 36 7.494 11.781 -25.049 1.00 21.40 O ATOM 0 H SER A 36 6.823 9.288 -27.039 1.00 14.22 H new ATOM 0 HA SER A 36 5.257 10.864 -25.347 1.00 64.31 H new ATOM 0 HB2 SER A 36 7.702 11.128 -26.989 1.00 70.02 H new ATOM 0 HB3 SER A 36 6.837 12.640 -26.799 1.00 70.02 H new ATOM 0 HG SER A 36 8.344 12.269 -25.076 1.00 21.40 H new ATOM 396 N LYS A 37 4.701 11.324 -28.551 1.00 70.51 N ATOM 397 CA LYS A 37 3.792 11.938 -29.512 1.00 3.35 C ATOM 398 C LYS A 37 2.340 11.625 -29.164 1.00 44.14 C ATOM 399 O LYS A 37 1.449 12.447 -29.379 1.00 41.21 O ATOM 400 CB LYS A 37 4.106 11.449 -30.927 1.00 63.11 C ATOM 401 CG LYS A 37 3.514 12.323 -32.018 1.00 54.44 C ATOM 402 CD LYS A 37 2.998 11.492 -33.181 1.00 63.21 C ATOM 403 CE LYS A 37 4.140 10.924 -34.010 1.00 25.14 C ATOM 404 NZ LYS A 37 4.412 11.749 -35.219 1.00 2.31 N ATOM 0 H LYS A 37 5.369 10.671 -28.961 1.00 70.51 H new ATOM 0 HA LYS A 37 3.933 13.018 -29.469 1.00 3.35 H new ATOM 0 HB2 LYS A 37 5.188 11.405 -31.055 1.00 63.11 H new ATOM 0 HB3 LYS A 37 3.729 10.433 -31.043 1.00 63.11 H new ATOM 0 HG2 LYS A 37 2.700 12.919 -31.606 1.00 54.44 H new ATOM 0 HG3 LYS A 37 4.270 13.021 -32.376 1.00 54.44 H new ATOM 0 HD2 LYS A 37 2.382 10.677 -32.802 1.00 63.21 H new ATOM 0 HD3 LYS A 37 2.359 12.107 -33.814 1.00 63.21 H new ATOM 0 HE2 LYS A 37 5.040 10.869 -33.398 1.00 25.14 H new ATOM 0 HE3 LYS A 37 3.897 9.905 -34.313 1.00 25.14 H new ATOM 0 HZ1 LYS A 37 5.197 11.329 -35.757 1.00 2.31 H new ATOM 0 HZ2 LYS A 37 3.561 11.781 -35.816 1.00 2.31 H new ATOM 0 HZ3 LYS A 37 4.669 12.714 -34.930 1.00 2.31 H new ATOM 418 N HIS A 38 2.110 10.432 -28.625 1.00 54.14 N ATOM 419 CA HIS A 38 0.765 10.012 -28.246 1.00 63.44 C ATOM 420 C HIS A 38 0.804 9.118 -27.010 1.00 52.31 C ATOM 421 O HIS A 38 1.287 7.988 -27.063 1.00 43.34 O ATOM 422 CB HIS A 38 0.094 9.272 -29.404 1.00 21.31 C ATOM 423 CG HIS A 38 -1.368 9.566 -29.535 1.00 55.12 C ATOM 424 ND1 HIS A 38 -2.340 8.588 -29.493 1.00 43.24 N ATOM 425 CD2 HIS A 38 -2.024 10.738 -29.707 1.00 22.05 C ATOM 426 CE1 HIS A 38 -3.529 9.146 -29.635 1.00 70.51 C ATOM 427 NE2 HIS A 38 -3.365 10.450 -29.766 1.00 31.42 N ATOM 0 H HIS A 38 2.836 9.740 -28.441 1.00 54.14 H new ATOM 0 HA HIS A 38 0.185 10.904 -28.010 1.00 63.44 H new ATOM 0 HB2 HIS A 38 0.595 9.540 -30.334 1.00 21.31 H new ATOM 0 HB3 HIS A 38 0.230 8.199 -29.266 1.00 21.31 H new ATOM 0 HD2 HIS A 38 -1.576 11.717 -29.784 1.00 22.05 H new ATOM 0 HE1 HIS A 38 -4.475 8.624 -29.643 1.00 70.51 H new ATOM 0 HE2 HIS A 38 -4.113 11.132 -29.891 1.00 31.42 H new ATOM 435 N GLY A 39 0.291 9.634 -25.897 1.00 22.12 N ATOM 436 CA GLY A 39 0.278 8.870 -24.663 1.00 72.21 C ATOM 437 C GLY A 39 1.453 9.199 -23.765 1.00 24.04 C ATOM 438 O GLY A 39 2.573 9.392 -24.239 1.00 63.12 O ATOM 0 H GLY A 39 -0.116 10.567 -25.828 1.00 22.12 H new ATOM 0 HA2 GLY A 39 -0.651 9.067 -24.127 1.00 72.21 H new ATOM 0 HA3 GLY A 39 0.291 7.806 -24.898 1.00 72.21 H new ATOM 442 N THR A 40 1.200 9.265 -22.461 1.00 52.42 N ATOM 443 CA THR A 40 2.245 9.577 -21.494 1.00 71.51 C ATOM 444 C THR A 40 2.499 8.398 -20.561 1.00 14.32 C ATOM 445 O THR A 40 1.624 8.006 -19.788 1.00 63.10 O ATOM 446 CB THR A 40 1.881 10.814 -20.653 1.00 1.44 C ATOM 447 OG1 THR A 40 1.601 11.925 -21.511 1.00 53.34 O ATOM 448 CG2 THR A 40 3.013 11.174 -19.703 1.00 3.55 C ATOM 0 H THR A 40 0.280 9.106 -22.051 1.00 52.42 H new ATOM 0 HA THR A 40 3.150 9.788 -22.063 1.00 71.51 H new ATOM 0 HB THR A 40 0.994 10.578 -20.065 1.00 1.44 H new ATOM 0 HG1 THR A 40 1.369 12.707 -20.968 1.00 53.34 H new ATOM 0 HG21 THR A 40 2.733 12.051 -19.119 1.00 3.55 H new ATOM 0 HG22 THR A 40 3.204 10.337 -19.031 1.00 3.55 H new ATOM 0 HG23 THR A 40 3.914 11.392 -20.277 1.00 3.55 H new ATOM 456 N VAL A 41 3.701 7.837 -20.637 1.00 4.43 N ATOM 457 CA VAL A 41 4.071 6.704 -19.797 1.00 10.42 C ATOM 458 C VAL A 41 5.211 7.069 -18.853 1.00 21.03 C ATOM 459 O VAL A 41 6.082 7.868 -19.196 1.00 13.33 O ATOM 460 CB VAL A 41 4.491 5.490 -20.646 1.00 34.32 C ATOM 461 CG1 VAL A 41 3.371 5.089 -21.595 1.00 22.25 C ATOM 462 CG2 VAL A 41 5.768 5.793 -21.414 1.00 24.45 C ATOM 0 H VAL A 41 4.436 8.149 -21.272 1.00 4.43 H new ATOM 0 HA VAL A 41 3.189 6.442 -19.213 1.00 10.42 H new ATOM 0 HB VAL A 41 4.687 4.652 -19.978 1.00 34.32 H new ATOM 0 HG11 VAL A 41 3.686 4.230 -22.187 1.00 22.25 H new ATOM 0 HG12 VAL A 41 2.483 4.828 -21.020 1.00 22.25 H new ATOM 0 HG13 VAL A 41 3.141 5.922 -22.259 1.00 22.25 H new ATOM 0 HG21 VAL A 41 6.050 4.924 -22.008 1.00 24.45 H new ATOM 0 HG22 VAL A 41 5.603 6.645 -22.073 1.00 24.45 H new ATOM 0 HG23 VAL A 41 6.568 6.027 -20.712 1.00 24.45 H new ATOM 472 N GLN A 42 5.199 6.477 -17.663 1.00 21.12 N ATOM 473 CA GLN A 42 6.233 6.740 -16.669 1.00 31.02 C ATOM 474 C GLN A 42 7.554 6.093 -17.072 1.00 74.24 C ATOM 475 O GLN A 42 8.567 6.773 -17.228 1.00 41.13 O ATOM 476 CB GLN A 42 5.795 6.222 -15.298 1.00 24.33 C ATOM 477 CG GLN A 42 6.636 6.755 -14.149 1.00 64.21 C ATOM 478 CD GLN A 42 7.321 5.652 -13.366 1.00 33.21 C ATOM 479 OE1 GLN A 42 6.739 4.594 -13.123 1.00 60.05 O ATOM 480 NE2 GLN A 42 8.564 5.893 -12.965 1.00 55.33 N ATOM 0 H GLN A 42 4.485 5.813 -17.364 1.00 21.12 H new ATOM 0 HA GLN A 42 6.381 7.818 -16.612 1.00 31.02 H new ATOM 0 HB2 GLN A 42 4.753 6.495 -15.132 1.00 24.33 H new ATOM 0 HB3 GLN A 42 5.843 5.133 -15.298 1.00 24.33 H new ATOM 0 HG2 GLN A 42 7.389 7.438 -14.542 1.00 64.21 H new ATOM 0 HG3 GLN A 42 6.001 7.332 -13.477 1.00 64.21 H new ATOM 0 HE21 GLN A 42 9.008 6.784 -13.188 1.00 55.33 H new ATOM 0 HE22 GLN A 42 9.074 5.187 -12.434 1.00 55.33 H new ATOM 489 N ALA A 43 7.534 4.775 -17.240 1.00 21.54 N ATOM 490 CA ALA A 43 8.730 4.036 -17.627 1.00 34.13 C ATOM 491 C ALA A 43 8.366 2.738 -18.341 1.00 0.43 C ATOM 492 O ALA A 43 7.222 2.287 -18.285 1.00 61.21 O ATOM 493 CB ALA A 43 9.589 3.745 -16.405 1.00 41.53 C ATOM 0 H ALA A 43 6.703 4.197 -17.114 1.00 21.54 H new ATOM 0 HA ALA A 43 9.301 4.654 -18.320 1.00 34.13 H new ATOM 0 HB1 ALA A 43 10.478 3.193 -16.709 1.00 41.53 H new ATOM 0 HB2 ALA A 43 9.887 4.684 -15.938 1.00 41.53 H new ATOM 0 HB3 ALA A 43 9.018 3.150 -15.692 1.00 41.53 H new ATOM 499 N VAL A 44 9.347 2.143 -19.012 1.00 73.02 N ATOM 500 CA VAL A 44 9.130 0.897 -19.737 1.00 71.32 C ATOM 501 C VAL A 44 10.333 -0.031 -19.607 1.00 53.04 C ATOM 502 O VAL A 44 11.474 0.424 -19.526 1.00 72.44 O ATOM 503 CB VAL A 44 8.855 1.157 -21.230 1.00 75.52 C ATOM 504 CG1 VAL A 44 10.051 1.830 -21.885 1.00 10.34 C ATOM 505 CG2 VAL A 44 8.509 -0.143 -21.942 1.00 12.23 C ATOM 0 H VAL A 44 10.299 2.504 -19.069 1.00 73.02 H new ATOM 0 HA VAL A 44 8.257 0.420 -19.292 1.00 71.32 H new ATOM 0 HB VAL A 44 8.001 1.829 -21.312 1.00 75.52 H new ATOM 0 HG11 VAL A 44 9.837 2.005 -22.939 1.00 10.34 H new ATOM 0 HG12 VAL A 44 10.248 2.782 -21.392 1.00 10.34 H new ATOM 0 HG13 VAL A 44 10.926 1.186 -21.794 1.00 10.34 H new ATOM 0 HG21 VAL A 44 8.318 0.059 -22.996 1.00 12.23 H new ATOM 0 HG22 VAL A 44 9.342 -0.840 -21.852 1.00 12.23 H new ATOM 0 HG23 VAL A 44 7.619 -0.580 -21.489 1.00 12.23 H new ATOM 515 N TRP A 45 10.069 -1.332 -19.589 1.00 23.43 N ATOM 516 CA TRP A 45 11.131 -2.325 -19.469 1.00 62.22 C ATOM 517 C TRP A 45 10.638 -3.704 -19.895 1.00 41.43 C ATOM 518 O TRP A 45 9.440 -3.912 -20.089 1.00 43.21 O ATOM 519 CB TRP A 45 11.649 -2.377 -18.031 1.00 62.40 C ATOM 520 CG TRP A 45 13.145 -2.351 -17.937 1.00 52.21 C ATOM 521 CD1 TRP A 45 13.956 -1.261 -18.078 1.00 53.02 C ATOM 522 CD2 TRP A 45 14.007 -3.465 -17.683 1.00 44.03 C ATOM 523 NE1 TRP A 45 15.270 -1.631 -17.927 1.00 45.44 N ATOM 524 CE2 TRP A 45 15.329 -2.977 -17.683 1.00 70.24 C ATOM 525 CE3 TRP A 45 13.792 -4.826 -17.454 1.00 22.53 C ATOM 526 CZ2 TRP A 45 16.427 -3.804 -17.464 1.00 64.23 C ATOM 527 CZ3 TRP A 45 14.883 -5.646 -17.237 1.00 25.02 C ATOM 528 CH2 TRP A 45 16.187 -5.133 -17.242 1.00 64.05 C ATOM 0 H TRP A 45 9.130 -1.724 -19.656 1.00 23.43 H new ATOM 0 HA TRP A 45 11.946 -2.031 -20.131 1.00 62.22 H new ATOM 0 HB2 TRP A 45 11.242 -1.532 -17.475 1.00 62.40 H new ATOM 0 HB3 TRP A 45 11.278 -3.283 -17.551 1.00 62.40 H new ATOM 0 HD1 TRP A 45 13.614 -0.256 -18.279 1.00 53.02 H new ATOM 0 HE1 TRP A 45 16.072 -1.004 -17.987 1.00 45.44 H new ATOM 0 HE3 TRP A 45 12.791 -5.230 -17.447 1.00 22.53 H new ATOM 0 HZ2 TRP A 45 17.433 -3.411 -17.469 1.00 64.23 H new ATOM 0 HZ3 TRP A 45 14.728 -6.700 -17.061 1.00 25.02 H new ATOM 0 HH2 TRP A 45 17.019 -5.799 -17.067 1.00 64.05 H new ATOM 539 N ARG A 46 11.568 -4.642 -20.039 1.00 43.22 N ATOM 540 CA ARG A 46 11.227 -6.000 -20.443 1.00 62.44 C ATOM 541 C ARG A 46 12.333 -6.977 -20.055 1.00 23.10 C ATOM 542 O ARG A 46 13.515 -6.634 -20.080 1.00 2.45 O ATOM 543 CB ARG A 46 10.986 -6.061 -21.953 1.00 12.32 C ATOM 544 CG ARG A 46 12.217 -5.729 -22.780 1.00 71.22 C ATOM 545 CD ARG A 46 12.384 -4.228 -22.953 1.00 3.40 C ATOM 546 NE ARG A 46 12.607 -3.859 -24.348 1.00 55.44 N ATOM 547 CZ ARG A 46 12.653 -2.602 -24.778 1.00 30.50 C ATOM 548 NH1 ARG A 46 12.494 -1.600 -23.925 1.00 30.33 N ATOM 549 NH2 ARG A 46 12.859 -2.347 -26.064 1.00 4.14 N ATOM 0 H ARG A 46 12.564 -4.486 -19.882 1.00 43.22 H new ATOM 0 HA ARG A 46 10.313 -6.287 -19.924 1.00 62.44 H new ATOM 0 HB2 ARG A 46 10.640 -7.060 -22.217 1.00 12.32 H new ATOM 0 HB3 ARG A 46 10.186 -5.368 -22.213 1.00 12.32 H new ATOM 0 HG2 ARG A 46 13.103 -6.141 -22.297 1.00 71.22 H new ATOM 0 HG3 ARG A 46 12.138 -6.202 -23.759 1.00 71.22 H new ATOM 0 HD2 ARG A 46 11.495 -3.719 -22.581 1.00 3.40 H new ATOM 0 HD3 ARG A 46 13.224 -3.885 -22.349 1.00 3.40 H new ATOM 0 HE ARG A 46 12.734 -4.607 -25.030 1.00 55.44 H new ATOM 0 HH11 ARG A 46 12.336 -1.792 -22.936 1.00 30.33 H new ATOM 0 HH12 ARG A 46 12.530 -0.636 -24.258 1.00 30.33 H new ATOM 0 HH21 ARG A 46 12.982 -3.116 -26.723 1.00 4.14 H new ATOM 0 HH22 ARG A 46 12.894 -1.382 -26.393 1.00 4.14 H new ATOM 563 N ARG A 47 11.941 -8.195 -19.696 1.00 71.23 N ATOM 564 CA ARG A 47 12.899 -9.221 -19.301 1.00 15.10 C ATOM 565 C ARG A 47 12.396 -10.610 -19.683 1.00 62.14 C ATOM 566 O ARG A 47 11.210 -10.800 -19.954 1.00 0.25 O ATOM 567 CB ARG A 47 13.154 -9.156 -17.794 1.00 63.31 C ATOM 568 CG ARG A 47 11.978 -9.629 -16.956 1.00 31.22 C ATOM 569 CD ARG A 47 11.847 -8.822 -15.674 1.00 4.03 C ATOM 570 NE ARG A 47 10.771 -9.319 -14.821 1.00 21.40 N ATOM 571 CZ ARG A 47 10.285 -8.647 -13.783 1.00 63.24 C ATOM 572 NH1 ARG A 47 10.777 -7.456 -13.472 1.00 50.10 N ATOM 573 NH2 ARG A 47 9.305 -9.166 -13.055 1.00 61.31 N ATOM 0 H ARG A 47 10.967 -8.496 -19.670 1.00 71.23 H new ATOM 0 HA ARG A 47 13.834 -9.034 -19.830 1.00 15.10 H new ATOM 0 HB2 ARG A 47 14.027 -9.764 -17.555 1.00 63.31 H new ATOM 0 HB3 ARG A 47 13.395 -8.129 -17.519 1.00 63.31 H new ATOM 0 HG2 ARG A 47 11.059 -9.544 -17.536 1.00 31.22 H new ATOM 0 HG3 ARG A 47 12.105 -10.684 -16.712 1.00 31.22 H new ATOM 0 HD2 ARG A 47 12.789 -8.856 -15.126 1.00 4.03 H new ATOM 0 HD3 ARG A 47 11.660 -7.777 -15.921 1.00 4.03 H new ATOM 0 HE ARG A 47 10.370 -10.233 -15.034 1.00 21.40 H new ATOM 0 HH11 ARG A 47 11.530 -7.054 -14.030 1.00 50.10 H new ATOM 0 HH12 ARG A 47 10.402 -6.942 -12.675 1.00 50.10 H new ATOM 0 HH21 ARG A 47 8.924 -10.082 -13.292 1.00 61.31 H new ATOM 0 HH22 ARG A 47 8.933 -8.649 -12.258 1.00 61.31 H new ATOM 587 N TYR A 48 13.306 -11.577 -19.705 1.00 23.35 N ATOM 588 CA TYR A 48 12.957 -12.948 -20.057 1.00 34.33 C ATOM 589 C TYR A 48 13.832 -13.945 -19.302 1.00 54.33 C ATOM 590 O TYR A 48 15.059 -13.900 -19.388 1.00 0.15 O ATOM 591 CB TYR A 48 13.103 -13.163 -21.564 1.00 60.10 C ATOM 592 CG TYR A 48 14.470 -12.800 -22.097 1.00 44.35 C ATOM 593 CD1 TYR A 48 15.447 -13.771 -22.280 1.00 71.30 C ATOM 594 CD2 TYR A 48 14.786 -11.485 -22.418 1.00 22.31 C ATOM 595 CE1 TYR A 48 16.698 -13.444 -22.766 1.00 71.04 C ATOM 596 CE2 TYR A 48 16.034 -11.149 -22.906 1.00 71.22 C ATOM 597 CZ TYR A 48 16.986 -12.132 -23.079 1.00 3.25 C ATOM 598 OH TYR A 48 18.231 -11.801 -23.563 1.00 51.24 O ATOM 0 H TYR A 48 14.292 -11.437 -19.483 1.00 23.35 H new ATOM 0 HA TYR A 48 11.918 -13.116 -19.772 1.00 34.33 H new ATOM 0 HB2 TYR A 48 12.898 -14.208 -21.795 1.00 60.10 H new ATOM 0 HB3 TYR A 48 12.351 -12.568 -22.082 1.00 60.10 H new ATOM 0 HD1 TYR A 48 15.224 -14.800 -22.038 1.00 71.30 H new ATOM 0 HD2 TYR A 48 14.043 -10.713 -22.284 1.00 22.31 H new ATOM 0 HE1 TYR A 48 17.446 -14.211 -22.900 1.00 71.04 H new ATOM 0 HE2 TYR A 48 16.263 -10.122 -23.151 1.00 71.22 H new ATOM 0 HH TYR A 48 18.270 -10.837 -23.734 1.00 51.24 H new ATOM 608 N PHE A 49 13.190 -14.845 -18.564 1.00 5.51 N ATOM 609 CA PHE A 49 13.909 -15.853 -17.793 1.00 53.13 C ATOM 610 C PHE A 49 14.320 -17.024 -18.680 1.00 72.44 C ATOM 611 O PHE A 49 13.482 -17.650 -19.329 1.00 35.14 O ATOM 612 CB PHE A 49 13.042 -16.354 -16.636 1.00 72.34 C ATOM 613 CG PHE A 49 13.397 -15.741 -15.312 1.00 32.20 C ATOM 614 CD1 PHE A 49 14.600 -16.043 -14.694 1.00 14.10 C ATOM 615 CD2 PHE A 49 12.527 -14.863 -14.685 1.00 22.53 C ATOM 616 CE1 PHE A 49 14.929 -15.480 -13.475 1.00 65.14 C ATOM 617 CE2 PHE A 49 12.852 -14.297 -13.466 1.00 72.44 C ATOM 618 CZ PHE A 49 14.054 -14.607 -12.860 1.00 52.04 C ATOM 0 H PHE A 49 12.174 -14.897 -18.484 1.00 5.51 H new ATOM 0 HA PHE A 49 14.810 -15.392 -17.389 1.00 53.13 H new ATOM 0 HB2 PHE A 49 11.996 -16.141 -16.857 1.00 72.34 H new ATOM 0 HB3 PHE A 49 13.138 -17.437 -16.563 1.00 72.34 H new ATOM 0 HD1 PHE A 49 15.288 -16.726 -15.170 1.00 14.10 H new ATOM 0 HD2 PHE A 49 11.585 -14.618 -15.154 1.00 22.53 H new ATOM 0 HE1 PHE A 49 15.870 -15.723 -13.004 1.00 65.14 H new ATOM 0 HE2 PHE A 49 12.166 -13.613 -12.988 1.00 72.44 H new ATOM 0 HZ PHE A 49 14.309 -14.167 -11.907 1.00 52.04 H new ATOM 628 N ALA A 50 15.617 -17.315 -18.704 1.00 14.53 N ATOM 629 CA ALA A 50 16.140 -18.411 -19.509 1.00 53.13 C ATOM 630 C ALA A 50 16.006 -19.742 -18.778 1.00 30.13 C ATOM 631 O ALA A 50 15.763 -20.779 -19.394 1.00 41.31 O ATOM 632 CB ALA A 50 17.594 -18.151 -19.874 1.00 53.31 C ATOM 0 H ALA A 50 16.325 -16.806 -18.174 1.00 14.53 H new ATOM 0 HA ALA A 50 15.552 -18.469 -20.425 1.00 53.13 H new ATOM 0 HB1 ALA A 50 17.972 -18.978 -20.475 1.00 53.31 H new ATOM 0 HB2 ALA A 50 17.666 -17.225 -20.444 1.00 53.31 H new ATOM 0 HB3 ALA A 50 18.188 -18.064 -18.964 1.00 53.31 H new ATOM 638 N GLY A 51 16.167 -19.706 -17.458 1.00 71.03 N ATOM 639 CA GLY A 51 16.061 -20.916 -16.665 1.00 23.53 C ATOM 640 C GLY A 51 17.357 -21.702 -16.630 1.00 4.22 C ATOM 641 O GLY A 51 17.775 -22.271 -17.639 1.00 32.25 O ATOM 0 H GLY A 51 16.369 -18.860 -16.925 1.00 71.03 H new ATOM 0 HA2 GLY A 51 15.770 -20.655 -15.647 1.00 23.53 H new ATOM 0 HA3 GLY A 51 15.269 -21.545 -17.072 1.00 23.53 H new ATOM 645 N LYS A 52 17.998 -21.732 -15.466 1.00 72.11 N ATOM 646 CA LYS A 52 19.255 -22.453 -15.302 1.00 53.34 C ATOM 647 C LYS A 52 19.271 -23.227 -13.989 1.00 33.35 C ATOM 648 O LYS A 52 20.157 -23.038 -13.155 1.00 15.13 O ATOM 649 CB LYS A 52 20.434 -21.479 -15.347 1.00 3.32 C ATOM 650 CG LYS A 52 20.343 -20.365 -14.318 1.00 55.12 C ATOM 651 CD LYS A 52 21.660 -20.172 -13.586 1.00 31.21 C ATOM 652 CE LYS A 52 22.047 -18.703 -13.512 1.00 71.11 C ATOM 653 NZ LYS A 52 22.599 -18.341 -12.177 1.00 72.32 N ATOM 0 H LYS A 52 17.667 -21.265 -14.622 1.00 72.11 H new ATOM 0 HA LYS A 52 19.347 -23.164 -16.123 1.00 53.34 H new ATOM 0 HB2 LYS A 52 21.359 -22.034 -15.189 1.00 3.32 H new ATOM 0 HB3 LYS A 52 20.493 -21.039 -16.342 1.00 3.32 H new ATOM 0 HG2 LYS A 52 20.061 -19.435 -14.811 1.00 55.12 H new ATOM 0 HG3 LYS A 52 19.557 -20.596 -13.599 1.00 55.12 H new ATOM 0 HD2 LYS A 52 21.580 -20.579 -12.578 1.00 31.21 H new ATOM 0 HD3 LYS A 52 22.445 -20.731 -14.095 1.00 31.21 H new ATOM 0 HE2 LYS A 52 22.786 -18.483 -14.282 1.00 71.11 H new ATOM 0 HE3 LYS A 52 21.173 -18.086 -13.723 1.00 71.11 H new ATOM 0 HZ1 LYS A 52 22.851 -17.332 -12.167 1.00 72.32 H new ATOM 0 HZ2 LYS A 52 21.885 -18.527 -11.444 1.00 72.32 H new ATOM 0 HZ3 LYS A 52 23.448 -18.911 -11.986 1.00 72.32 H new ATOM 667 N LYS A 53 18.286 -24.102 -13.810 1.00 42.35 N ATOM 668 CA LYS A 53 18.188 -24.908 -12.600 1.00 11.15 C ATOM 669 C LYS A 53 17.462 -26.221 -12.877 1.00 44.42 C ATOM 670 O LYS A 53 17.002 -26.462 -13.993 1.00 74.00 O ATOM 671 CB LYS A 53 17.456 -24.131 -11.503 1.00 4.42 C ATOM 672 CG LYS A 53 16.000 -23.846 -11.827 1.00 30.41 C ATOM 673 CD LYS A 53 15.769 -22.371 -12.108 1.00 71.21 C ATOM 674 CE LYS A 53 14.772 -22.169 -13.239 1.00 42.21 C ATOM 675 NZ LYS A 53 13.417 -21.821 -12.729 1.00 3.23 N ATOM 0 H LYS A 53 17.544 -24.270 -14.489 1.00 42.35 H new ATOM 0 HA LYS A 53 19.199 -25.136 -12.263 1.00 11.15 H new ATOM 0 HB2 LYS A 53 17.508 -24.696 -10.573 1.00 4.42 H new ATOM 0 HB3 LYS A 53 17.973 -23.187 -11.332 1.00 4.42 H new ATOM 0 HG2 LYS A 53 15.697 -24.434 -12.694 1.00 30.41 H new ATOM 0 HG3 LYS A 53 15.373 -24.161 -10.993 1.00 30.41 H new ATOM 0 HD2 LYS A 53 15.402 -21.881 -11.206 1.00 71.21 H new ATOM 0 HD3 LYS A 53 16.715 -21.896 -12.367 1.00 71.21 H new ATOM 0 HE2 LYS A 53 15.126 -21.377 -13.898 1.00 42.21 H new ATOM 0 HE3 LYS A 53 14.712 -23.078 -13.837 1.00 42.21 H new ATOM 0 HZ1 LYS A 53 12.767 -21.692 -13.531 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 13.068 -22.588 -12.120 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 13.469 -20.940 -12.180 1.00 3.23 H new ATOM 689 N ASP A 54 17.363 -27.064 -11.856 1.00 5.03 N ATOM 690 CA ASP A 54 16.691 -28.351 -11.989 1.00 64.33 C ATOM 691 C ASP A 54 15.266 -28.279 -11.451 1.00 11.50 C ATOM 692 O ASP A 54 14.715 -29.277 -10.988 1.00 3.34 O ATOM 693 CB ASP A 54 17.474 -29.438 -11.251 1.00 32.31 C ATOM 694 CG ASP A 54 18.656 -29.947 -12.053 1.00 12.24 C ATOM 695 OD1 ASP A 54 19.716 -29.287 -12.031 1.00 10.41 O ATOM 696 OD2 ASP A 54 18.521 -31.005 -12.701 1.00 61.20 O ATOM 0 H ASP A 54 17.740 -26.879 -10.926 1.00 5.03 H new ATOM 0 HA ASP A 54 16.647 -28.602 -13.049 1.00 64.33 H new ATOM 0 HB2 ASP A 54 17.828 -29.043 -10.299 1.00 32.31 H new ATOM 0 HB3 ASP A 54 16.808 -30.270 -11.023 1.00 32.31 H new ATOM 701 N ALA A 55 14.675 -27.090 -11.515 1.00 13.03 N ATOM 702 CA ALA A 55 13.313 -26.887 -11.035 1.00 24.23 C ATOM 703 C ALA A 55 12.380 -26.502 -12.177 1.00 41.53 C ATOM 704 O ALA A 55 12.812 -26.050 -13.238 1.00 70.33 O ATOM 705 CB ALA A 55 13.290 -25.822 -9.949 1.00 11.41 C ATOM 0 H ALA A 55 15.118 -26.253 -11.894 1.00 13.03 H new ATOM 0 HA ALA A 55 12.958 -27.828 -10.613 1.00 24.23 H new ATOM 0 HB1 ALA A 55 12.267 -25.681 -9.600 1.00 11.41 H new ATOM 0 HB2 ALA A 55 13.917 -26.138 -9.116 1.00 11.41 H new ATOM 0 HB3 ALA A 55 13.669 -24.883 -10.352 1.00 11.41 H new ATOM 711 N PRO A 56 11.069 -26.683 -11.959 1.00 2.15 N ATOM 712 CA PRO A 56 10.048 -26.360 -12.959 1.00 74.11 C ATOM 713 C PRO A 56 9.903 -24.858 -13.176 1.00 44.34 C ATOM 714 O PRO A 56 10.420 -24.043 -12.412 1.00 21.05 O ATOM 715 CB PRO A 56 8.765 -26.939 -12.356 1.00 42.30 C ATOM 716 CG PRO A 56 9.012 -26.957 -10.887 1.00 0.31 C ATOM 717 CD PRO A 56 10.483 -27.216 -10.717 1.00 64.54 C ATOM 0 HA PRO A 56 10.296 -26.766 -13.940 1.00 74.11 H new ATOM 0 HB2 PRO A 56 7.899 -26.326 -12.604 1.00 42.30 H new ATOM 0 HB3 PRO A 56 8.566 -27.941 -12.736 1.00 42.30 H new ATOM 0 HG2 PRO A 56 8.728 -26.008 -10.432 1.00 0.31 H new ATOM 0 HG3 PRO A 56 8.421 -27.733 -10.401 1.00 0.31 H new ATOM 0 HD2 PRO A 56 10.881 -26.712 -9.836 1.00 64.54 H new ATOM 0 HD3 PRO A 56 10.693 -28.279 -10.598 1.00 64.54 H new ATOM 725 N PRO A 57 9.184 -24.480 -14.244 1.00 2.33 N ATOM 726 CA PRO A 57 8.955 -23.073 -14.586 1.00 15.15 C ATOM 727 C PRO A 57 8.028 -22.379 -13.593 1.00 2.21 C ATOM 728 O PRO A 57 6.813 -22.568 -13.628 1.00 51.35 O ATOM 729 CB PRO A 57 8.299 -23.146 -15.967 1.00 45.11 C ATOM 730 CG PRO A 57 7.658 -24.490 -16.011 1.00 54.44 C ATOM 731 CD PRO A 57 8.539 -25.397 -15.199 1.00 3.35 C ATOM 0 HA PRO A 57 9.878 -22.494 -14.567 1.00 15.15 H new ATOM 0 HB2 PRO A 57 7.564 -22.352 -16.098 1.00 45.11 H new ATOM 0 HB3 PRO A 57 9.036 -23.033 -16.762 1.00 45.11 H new ATOM 0 HG2 PRO A 57 6.649 -24.455 -15.599 1.00 54.44 H new ATOM 0 HG3 PRO A 57 7.571 -24.847 -17.037 1.00 54.44 H new ATOM 0 HD2 PRO A 57 7.961 -26.167 -14.689 1.00 3.35 H new ATOM 0 HD3 PRO A 57 9.272 -25.909 -15.822 1.00 3.35 H new ATOM 739 N GLU A 58 8.611 -21.575 -12.709 1.00 21.23 N ATOM 740 CA GLU A 58 7.836 -20.854 -11.706 1.00 41.42 C ATOM 741 C GLU A 58 7.450 -19.466 -12.212 1.00 23.44 C ATOM 742 O GLU A 58 6.302 -19.043 -12.079 1.00 70.15 O ATOM 743 CB GLU A 58 8.632 -20.731 -10.405 1.00 71.30 C ATOM 744 CG GLU A 58 7.826 -20.163 -9.250 1.00 15.25 C ATOM 745 CD GLU A 58 6.554 -20.945 -8.985 1.00 55.23 C ATOM 746 OE1 GLU A 58 5.488 -20.310 -8.837 1.00 71.54 O ATOM 747 OE2 GLU A 58 6.623 -22.190 -8.926 1.00 64.02 O ATOM 0 H GLU A 58 9.616 -21.407 -12.667 1.00 21.23 H new ATOM 0 HA GLU A 58 6.924 -21.419 -11.513 1.00 41.42 H new ATOM 0 HB2 GLU A 58 9.009 -21.715 -10.125 1.00 71.30 H new ATOM 0 HB3 GLU A 58 9.500 -20.095 -10.579 1.00 71.30 H new ATOM 0 HG2 GLU A 58 8.441 -20.161 -8.350 1.00 15.25 H new ATOM 0 HG3 GLU A 58 7.572 -19.125 -9.465 1.00 15.25 H new ATOM 754 N SER A 59 8.419 -18.763 -12.790 1.00 74.43 N ATOM 755 CA SER A 59 8.183 -17.422 -13.312 1.00 34.22 C ATOM 756 C SER A 59 7.704 -17.479 -14.759 1.00 41.34 C ATOM 757 O SER A 59 7.812 -18.512 -15.420 1.00 54.33 O ATOM 758 CB SER A 59 9.458 -16.583 -13.217 1.00 24.32 C ATOM 759 OG SER A 59 10.562 -17.377 -12.816 1.00 51.10 O ATOM 0 H SER A 59 9.374 -19.100 -12.909 1.00 74.43 H new ATOM 0 HA SER A 59 7.405 -16.956 -12.708 1.00 34.22 H new ATOM 0 HB2 SER A 59 9.668 -16.124 -14.183 1.00 24.32 H new ATOM 0 HB3 SER A 59 9.311 -15.772 -12.504 1.00 24.32 H new ATOM 0 HG SER A 59 11.365 -16.818 -12.764 1.00 51.10 H new ATOM 765 N ARG A 60 7.175 -16.360 -15.245 1.00 65.32 N ATOM 766 CA ARG A 60 6.679 -16.282 -16.614 1.00 10.43 C ATOM 767 C ARG A 60 7.663 -15.532 -17.507 1.00 10.42 C ATOM 768 O ARG A 60 7.989 -14.371 -17.253 1.00 62.43 O ATOM 769 CB ARG A 60 5.315 -15.589 -16.645 1.00 63.01 C ATOM 770 CG ARG A 60 4.269 -16.265 -15.774 1.00 52.13 C ATOM 771 CD ARG A 60 3.927 -17.654 -16.291 1.00 55.51 C ATOM 772 NE ARG A 60 2.611 -17.693 -16.925 1.00 3.12 N ATOM 773 CZ ARG A 60 2.211 -18.674 -17.726 1.00 52.32 C ATOM 774 NH1 ARG A 60 3.019 -19.691 -17.990 1.00 5.21 N ATOM 775 NH2 ARG A 60 0.999 -18.639 -18.265 1.00 52.52 N ATOM 0 H ARG A 60 7.079 -15.496 -14.711 1.00 65.32 H new ATOM 0 HA ARG A 60 6.572 -17.298 -16.994 1.00 10.43 H new ATOM 0 HB2 ARG A 60 5.434 -14.556 -16.319 1.00 63.01 H new ATOM 0 HB3 ARG A 60 4.955 -15.559 -17.673 1.00 63.01 H new ATOM 0 HG2 ARG A 60 4.637 -16.337 -14.751 1.00 52.13 H new ATOM 0 HG3 ARG A 60 3.367 -15.654 -15.746 1.00 52.13 H new ATOM 0 HD2 ARG A 60 4.684 -17.971 -17.008 1.00 55.51 H new ATOM 0 HD3 ARG A 60 3.953 -18.365 -15.465 1.00 55.51 H new ATOM 0 HE ARG A 60 1.965 -16.925 -16.743 1.00 3.12 H new ATOM 0 HH11 ARG A 60 3.951 -19.722 -17.578 1.00 5.21 H new ATOM 0 HH12 ARG A 60 2.708 -20.443 -18.606 1.00 5.21 H new ATOM 0 HH21 ARG A 60 0.374 -17.858 -18.064 1.00 52.52 H new ATOM 0 HH22 ARG A 60 0.692 -19.393 -18.880 1.00 52.52 H new ATOM 789 N THR A 61 8.134 -16.202 -18.554 1.00 31.22 N ATOM 790 CA THR A 61 9.082 -15.601 -19.483 1.00 55.34 C ATOM 791 C THR A 61 8.474 -15.462 -20.875 1.00 1.45 C ATOM 792 O THR A 61 8.303 -16.449 -21.590 1.00 55.42 O ATOM 793 CB THR A 61 10.376 -16.430 -19.581 1.00 72.13 C ATOM 794 OG1 THR A 61 11.186 -15.949 -20.660 1.00 15.01 O ATOM 795 CG2 THR A 61 10.060 -17.903 -19.795 1.00 51.34 C ATOM 0 H THR A 61 7.874 -17.162 -18.780 1.00 31.22 H new ATOM 0 HA THR A 61 9.322 -14.612 -19.093 1.00 55.34 H new ATOM 0 HB THR A 61 10.921 -16.324 -18.643 1.00 72.13 H new ATOM 0 HG1 THR A 61 12.093 -16.311 -20.575 1.00 15.01 H new ATOM 0 HG21 THR A 61 10.989 -18.469 -19.861 1.00 51.34 H new ATOM 0 HG22 THR A 61 9.468 -18.274 -18.958 1.00 51.34 H new ATOM 0 HG23 THR A 61 9.495 -18.023 -20.720 1.00 51.34 H new ATOM 803 N LYS A 62 8.151 -14.230 -21.253 1.00 55.22 N ATOM 804 CA LYS A 62 7.564 -13.960 -22.560 1.00 54.04 C ATOM 805 C LYS A 62 8.200 -12.730 -23.199 1.00 41.32 C ATOM 806 O LYS A 62 8.764 -11.870 -22.522 1.00 24.54 O ATOM 807 CB LYS A 62 6.052 -13.757 -22.432 1.00 3.44 C ATOM 808 CG LYS A 62 5.652 -12.920 -21.229 1.00 55.52 C ATOM 809 CD LYS A 62 5.200 -13.791 -20.069 1.00 0.41 C ATOM 810 CE LYS A 62 3.795 -14.330 -20.291 1.00 3.15 C ATOM 811 NZ LYS A 62 3.783 -15.815 -20.406 1.00 50.42 N ATOM 0 H LYS A 62 8.286 -13.402 -20.672 1.00 55.22 H new ATOM 0 HA LYS A 62 7.756 -14.821 -23.201 1.00 54.04 H new ATOM 0 HB2 LYS A 62 5.680 -13.278 -23.338 1.00 3.44 H new ATOM 0 HB3 LYS A 62 5.567 -14.731 -22.364 1.00 3.44 H new ATOM 0 HG2 LYS A 62 6.496 -12.305 -20.916 1.00 55.52 H new ATOM 0 HG3 LYS A 62 4.848 -12.240 -21.509 1.00 55.52 H new ATOM 0 HD2 LYS A 62 5.894 -14.622 -19.945 1.00 0.41 H new ATOM 0 HD3 LYS A 62 5.227 -13.212 -19.146 1.00 0.41 H new ATOM 0 HE2 LYS A 62 3.154 -14.024 -19.464 1.00 3.15 H new ATOM 0 HE3 LYS A 62 3.377 -13.892 -21.197 1.00 3.15 H new ATOM 0 HZ1 LYS A 62 2.855 -16.129 -20.756 1.00 50.42 H new ATOM 0 HZ2 LYS A 62 4.524 -16.118 -21.070 1.00 50.42 H new ATOM 0 HZ3 LYS A 62 3.962 -16.237 -19.472 1.00 50.42 H new ATOM 825 N PRO A 63 8.108 -12.640 -24.534 1.00 74.23 N ATOM 826 CA PRO A 63 8.667 -11.518 -25.293 1.00 50.31 C ATOM 827 C PRO A 63 7.904 -10.219 -25.055 1.00 74.31 C ATOM 828 O PRO A 63 8.399 -9.133 -25.354 1.00 3.01 O ATOM 829 CB PRO A 63 8.520 -11.965 -26.749 1.00 75.54 C ATOM 830 CG PRO A 63 7.384 -12.930 -26.736 1.00 40.31 C ATOM 831 CD PRO A 63 7.449 -13.628 -25.406 1.00 1.22 C ATOM 0 HA PRO A 63 9.695 -11.301 -25.001 1.00 50.31 H new ATOM 0 HB2 PRO A 63 8.313 -11.119 -27.404 1.00 75.54 H new ATOM 0 HB3 PRO A 63 9.434 -12.434 -27.113 1.00 75.54 H new ATOM 0 HG2 PRO A 63 6.432 -12.414 -26.860 1.00 40.31 H new ATOM 0 HG3 PRO A 63 7.469 -13.643 -27.556 1.00 40.31 H new ATOM 0 HD2 PRO A 63 6.456 -13.888 -25.040 1.00 1.22 H new ATOM 0 HD3 PRO A 63 8.019 -14.555 -25.466 1.00 1.22 H new ATOM 839 N SER A 64 6.695 -10.339 -24.515 1.00 71.31 N ATOM 840 CA SER A 64 5.862 -9.175 -24.240 1.00 54.31 C ATOM 841 C SER A 64 6.629 -8.138 -23.426 1.00 0.34 C ATOM 842 O SER A 64 7.515 -8.479 -22.641 1.00 53.34 O ATOM 843 CB SER A 64 4.595 -9.593 -23.491 1.00 21.04 C ATOM 844 OG SER A 64 4.077 -10.808 -24.004 1.00 14.21 O ATOM 0 H SER A 64 6.271 -11.231 -24.259 1.00 71.31 H new ATOM 0 HA SER A 64 5.581 -8.727 -25.193 1.00 54.31 H new ATOM 0 HB2 SER A 64 4.817 -9.708 -22.430 1.00 21.04 H new ATOM 0 HB3 SER A 64 3.843 -8.809 -23.576 1.00 21.04 H new ATOM 0 HG SER A 64 3.269 -11.054 -23.508 1.00 14.21 H new ATOM 850 N VAL A 65 6.282 -6.869 -23.618 1.00 4.14 N ATOM 851 CA VAL A 65 6.937 -5.781 -22.901 1.00 53.30 C ATOM 852 C VAL A 65 6.044 -5.239 -21.790 1.00 51.14 C ATOM 853 O VAL A 65 4.818 -5.321 -21.869 1.00 10.10 O ATOM 854 CB VAL A 65 7.312 -4.628 -23.852 1.00 33.24 C ATOM 855 CG1 VAL A 65 8.410 -5.062 -24.810 1.00 23.21 C ATOM 856 CG2 VAL A 65 6.087 -4.147 -24.614 1.00 75.45 C ATOM 0 H VAL A 65 5.551 -6.569 -24.264 1.00 4.14 H new ATOM 0 HA VAL A 65 7.847 -6.192 -22.464 1.00 53.30 H new ATOM 0 HB VAL A 65 7.690 -3.797 -23.257 1.00 33.24 H new ATOM 0 HG11 VAL A 65 8.662 -4.235 -25.474 1.00 23.21 H new ATOM 0 HG12 VAL A 65 9.294 -5.354 -24.242 1.00 23.21 H new ATOM 0 HG13 VAL A 65 8.063 -5.909 -25.402 1.00 23.21 H new ATOM 0 HG21 VAL A 65 6.370 -3.333 -25.281 1.00 75.45 H new ATOM 0 HG22 VAL A 65 5.677 -4.970 -25.200 1.00 75.45 H new ATOM 0 HG23 VAL A 65 5.335 -3.794 -23.908 1.00 75.45 H new ATOM 866 N PHE A 66 6.667 -4.684 -20.756 1.00 33.43 N ATOM 867 CA PHE A 66 5.929 -4.129 -19.627 1.00 54.34 C ATOM 868 C PHE A 66 6.047 -2.608 -19.596 1.00 52.33 C ATOM 869 O PHE A 66 7.145 -2.057 -19.681 1.00 34.11 O ATOM 870 CB PHE A 66 6.444 -4.719 -18.313 1.00 42.51 C ATOM 871 CG PHE A 66 6.606 -6.211 -18.349 1.00 23.32 C ATOM 872 CD1 PHE A 66 7.755 -6.809 -17.856 1.00 1.33 C ATOM 873 CD2 PHE A 66 5.610 -7.017 -18.876 1.00 60.11 C ATOM 874 CE1 PHE A 66 7.907 -8.182 -17.887 1.00 23.24 C ATOM 875 CE2 PHE A 66 5.756 -8.391 -18.909 1.00 64.03 C ATOM 876 CZ PHE A 66 6.907 -8.974 -18.415 1.00 71.22 C ATOM 0 H PHE A 66 7.681 -4.606 -20.676 1.00 33.43 H new ATOM 0 HA PHE A 66 4.878 -4.392 -19.747 1.00 54.34 H new ATOM 0 HB2 PHE A 66 7.404 -4.263 -18.071 1.00 42.51 H new ATOM 0 HB3 PHE A 66 5.755 -4.456 -17.511 1.00 42.51 H new ATOM 0 HD1 PHE A 66 8.541 -6.194 -17.443 1.00 1.33 H new ATOM 0 HD2 PHE A 66 4.709 -6.566 -19.266 1.00 60.11 H new ATOM 0 HE1 PHE A 66 8.807 -8.635 -17.499 1.00 23.24 H new ATOM 0 HE2 PHE A 66 4.971 -9.008 -19.321 1.00 64.03 H new ATOM 0 HZ PHE A 66 7.024 -10.047 -18.442 1.00 71.22 H new ATOM 886 N VAL A 67 4.907 -1.934 -19.475 1.00 4.12 N ATOM 887 CA VAL A 67 4.882 -0.477 -19.432 1.00 13.21 C ATOM 888 C VAL A 67 4.095 0.024 -18.226 1.00 22.24 C ATOM 889 O VAL A 67 3.037 -0.512 -17.895 1.00 41.40 O ATOM 890 CB VAL A 67 4.263 0.112 -20.714 1.00 64.31 C ATOM 891 CG1 VAL A 67 5.116 -0.235 -21.926 1.00 14.44 C ATOM 892 CG2 VAL A 67 2.838 -0.387 -20.895 1.00 14.21 C ATOM 0 H VAL A 67 3.989 -2.374 -19.405 1.00 4.12 H new ATOM 0 HA VAL A 67 5.917 -0.145 -19.351 1.00 13.21 H new ATOM 0 HB VAL A 67 4.234 1.197 -20.618 1.00 64.31 H new ATOM 0 HG11 VAL A 67 4.664 0.189 -22.823 1.00 14.44 H new ATOM 0 HG12 VAL A 67 6.117 0.175 -21.796 1.00 14.44 H new ATOM 0 HG13 VAL A 67 5.179 -1.318 -22.029 1.00 14.44 H new ATOM 0 HG21 VAL A 67 2.416 0.039 -21.805 1.00 14.21 H new ATOM 0 HG22 VAL A 67 2.840 -1.474 -20.970 1.00 14.21 H new ATOM 0 HG23 VAL A 67 2.235 -0.084 -20.039 1.00 14.21 H new ATOM 902 N VAL A 68 4.619 1.055 -17.571 1.00 3.21 N ATOM 903 CA VAL A 68 3.966 1.630 -16.401 1.00 54.13 C ATOM 904 C VAL A 68 3.590 3.088 -16.643 1.00 21.23 C ATOM 905 O VAL A 68 4.459 3.946 -16.803 1.00 74.41 O ATOM 906 CB VAL A 68 4.867 1.543 -15.155 1.00 51.23 C ATOM 907 CG1 VAL A 68 4.105 1.979 -13.913 1.00 54.33 C ATOM 908 CG2 VAL A 68 5.411 0.132 -14.989 1.00 52.31 C ATOM 0 H VAL A 68 5.494 1.509 -17.831 1.00 3.21 H new ATOM 0 HA VAL A 68 3.061 1.048 -16.226 1.00 54.13 H new ATOM 0 HB VAL A 68 5.711 2.220 -15.290 1.00 51.23 H new ATOM 0 HG11 VAL A 68 4.758 1.911 -13.043 1.00 54.33 H new ATOM 0 HG12 VAL A 68 3.769 3.009 -14.035 1.00 54.33 H new ATOM 0 HG13 VAL A 68 3.241 1.330 -13.770 1.00 54.33 H new ATOM 0 HG21 VAL A 68 6.046 0.089 -14.104 1.00 52.31 H new ATOM 0 HG22 VAL A 68 4.582 -0.567 -14.876 1.00 52.31 H new ATOM 0 HG23 VAL A 68 5.996 -0.138 -15.868 1.00 52.31 H new ATOM 918 N PHE A 69 2.290 3.362 -16.667 1.00 30.11 N ATOM 919 CA PHE A 69 1.798 4.717 -16.889 1.00 63.32 C ATOM 920 C PHE A 69 1.849 5.532 -15.600 1.00 75.13 C ATOM 921 O PHE A 69 1.611 5.008 -14.513 1.00 11.32 O ATOM 922 CB PHE A 69 0.366 4.680 -17.428 1.00 5.44 C ATOM 923 CG PHE A 69 0.291 4.542 -18.921 1.00 50.23 C ATOM 924 CD1 PHE A 69 0.765 3.402 -19.550 1.00 4.33 C ATOM 925 CD2 PHE A 69 -0.254 5.553 -19.697 1.00 20.20 C ATOM 926 CE1 PHE A 69 0.697 3.272 -20.924 1.00 61.21 C ATOM 927 CE2 PHE A 69 -0.325 5.428 -21.072 1.00 33.25 C ATOM 928 CZ PHE A 69 0.152 4.286 -21.686 1.00 11.50 C ATOM 0 H PHE A 69 1.558 2.664 -16.535 1.00 30.11 H new ATOM 0 HA PHE A 69 2.443 5.196 -17.626 1.00 63.32 H new ATOM 0 HB2 PHE A 69 -0.166 3.848 -16.967 1.00 5.44 H new ATOM 0 HB3 PHE A 69 -0.150 5.592 -17.129 1.00 5.44 H new ATOM 0 HD1 PHE A 69 1.193 2.605 -18.959 1.00 4.33 H new ATOM 0 HD2 PHE A 69 -0.627 6.448 -19.222 1.00 20.20 H new ATOM 0 HE1 PHE A 69 1.070 2.378 -21.401 1.00 61.21 H new ATOM 0 HE2 PHE A 69 -0.753 6.222 -21.666 1.00 33.25 H new ATOM 0 HZ PHE A 69 0.099 4.187 -22.760 1.00 11.50 H new ATOM 938 N ASN A 70 2.160 6.817 -15.732 1.00 3.11 N ATOM 939 CA ASN A 70 2.243 7.705 -14.578 1.00 43.53 C ATOM 940 C ASN A 70 0.865 8.242 -14.205 1.00 11.32 C ATOM 941 O ASN A 70 0.513 8.313 -13.027 1.00 41.24 O ATOM 942 CB ASN A 70 3.194 8.868 -14.871 1.00 54.31 C ATOM 943 CG ASN A 70 3.093 9.972 -13.836 1.00 20.11 C ATOM 944 OD1 ASN A 70 3.467 9.788 -12.677 1.00 71.45 O ATOM 945 ND2 ASN A 70 2.586 11.127 -14.250 1.00 53.12 N ATOM 0 H ASN A 70 2.359 7.267 -16.626 1.00 3.11 H new ATOM 0 HA ASN A 70 2.630 7.131 -13.736 1.00 43.53 H new ATOM 0 HB2 ASN A 70 4.218 8.497 -14.904 1.00 54.31 H new ATOM 0 HB3 ASN A 70 2.971 9.276 -15.857 1.00 54.31 H new ATOM 0 HD21 ASN A 70 2.494 11.906 -13.598 1.00 53.12 H new ATOM 0 HD22 ASN A 70 2.289 11.235 -15.220 1.00 53.12 H new ATOM 952 N SER A 71 0.088 8.619 -15.216 1.00 25.40 N ATOM 953 CA SER A 71 -1.250 9.152 -14.994 1.00 54.03 C ATOM 954 C SER A 71 -2.243 8.028 -14.712 1.00 1.33 C ATOM 955 O SER A 71 -2.347 7.070 -15.477 1.00 52.13 O ATOM 956 CB SER A 71 -1.709 9.959 -16.211 1.00 22.23 C ATOM 957 OG SER A 71 -0.629 10.208 -17.094 1.00 1.34 O ATOM 0 H SER A 71 0.363 8.565 -16.197 1.00 25.40 H new ATOM 0 HA SER A 71 -1.213 9.808 -14.124 1.00 54.03 H new ATOM 0 HB2 SER A 71 -2.495 9.416 -16.736 1.00 22.23 H new ATOM 0 HB3 SER A 71 -2.140 10.905 -15.883 1.00 22.23 H new ATOM 0 HG SER A 71 -0.948 10.723 -17.864 1.00 1.34 H new ATOM 963 N SER A 72 -2.970 8.154 -13.606 1.00 72.22 N ATOM 964 CA SER A 72 -3.952 7.148 -13.219 1.00 32.21 C ATOM 965 C SER A 72 -5.012 6.977 -14.303 1.00 42.32 C ATOM 966 O SER A 72 -5.288 5.863 -14.746 1.00 20.24 O ATOM 967 CB SER A 72 -4.617 7.536 -11.897 1.00 21.23 C ATOM 968 OG SER A 72 -4.329 8.881 -11.557 1.00 0.03 O ATOM 0 H SER A 72 -2.897 8.942 -12.963 1.00 72.22 H new ATOM 0 HA SER A 72 -3.432 6.199 -13.091 1.00 32.21 H new ATOM 0 HB2 SER A 72 -5.696 7.400 -11.975 1.00 21.23 H new ATOM 0 HB3 SER A 72 -4.269 6.875 -11.103 1.00 21.23 H new ATOM 0 HG SER A 72 -4.767 9.105 -10.709 1.00 0.03 H new ATOM 974 N GLU A 73 -5.602 8.091 -14.726 1.00 4.21 N ATOM 975 CA GLU A 73 -6.632 8.065 -15.758 1.00 4.23 C ATOM 976 C GLU A 73 -6.116 7.387 -17.024 1.00 13.11 C ATOM 977 O GLU A 73 -6.706 6.420 -17.506 1.00 5.24 O ATOM 978 CB GLU A 73 -7.098 9.486 -16.081 1.00 5.45 C ATOM 979 CG GLU A 73 -8.587 9.589 -16.365 1.00 4.13 C ATOM 980 CD GLU A 73 -8.968 10.906 -17.012 1.00 45.24 C ATOM 981 OE1 GLU A 73 -8.060 11.609 -17.504 1.00 3.44 O ATOM 982 OE2 GLU A 73 -10.172 11.234 -17.028 1.00 33.12 O ATOM 0 H GLU A 73 -5.384 9.022 -14.370 1.00 4.21 H new ATOM 0 HA GLU A 73 -7.477 7.491 -15.378 1.00 4.23 H new ATOM 0 HB2 GLU A 73 -6.850 10.139 -15.244 1.00 5.45 H new ATOM 0 HB3 GLU A 73 -6.546 9.853 -16.946 1.00 5.45 H new ATOM 0 HG2 GLU A 73 -8.886 8.768 -17.017 1.00 4.13 H new ATOM 0 HG3 GLU A 73 -9.140 9.473 -15.433 1.00 4.13 H new ATOM 989 N GLU A 74 -5.013 7.903 -17.557 1.00 71.32 N ATOM 990 CA GLU A 74 -4.419 7.348 -18.768 1.00 75.11 C ATOM 991 C GLU A 74 -4.060 5.878 -18.573 1.00 63.23 C ATOM 992 O GLU A 74 -4.135 5.080 -19.508 1.00 11.44 O ATOM 993 CB GLU A 74 -3.172 8.142 -19.161 1.00 61.10 C ATOM 994 CG GLU A 74 -2.935 8.201 -20.661 1.00 33.22 C ATOM 995 CD GLU A 74 -4.076 8.866 -21.406 1.00 12.02 C ATOM 996 OE1 GLU A 74 -4.582 8.263 -22.375 1.00 74.03 O ATOM 997 OE2 GLU A 74 -4.463 9.989 -21.020 1.00 64.10 O ATOM 0 H GLU A 74 -4.513 8.703 -17.170 1.00 71.32 H new ATOM 0 HA GLU A 74 -5.154 7.421 -19.569 1.00 75.11 H new ATOM 0 HB2 GLU A 74 -3.262 9.158 -18.776 1.00 61.10 H new ATOM 0 HB3 GLU A 74 -2.301 7.695 -18.681 1.00 61.10 H new ATOM 0 HG2 GLU A 74 -2.011 8.745 -20.858 1.00 33.22 H new ATOM 0 HG3 GLU A 74 -2.797 7.190 -21.043 1.00 33.22 H new ATOM 1004 N ALA A 75 -3.668 5.527 -17.353 1.00 1.33 N ATOM 1005 CA ALA A 75 -3.298 4.154 -17.034 1.00 62.12 C ATOM 1006 C ALA A 75 -4.485 3.212 -17.204 1.00 0.04 C ATOM 1007 O ALA A 75 -4.373 2.167 -17.843 1.00 43.05 O ATOM 1008 CB ALA A 75 -2.753 4.070 -15.616 1.00 62.41 C ATOM 0 H ALA A 75 -3.598 6.175 -16.569 1.00 1.33 H new ATOM 0 HA ALA A 75 -2.519 3.843 -17.730 1.00 62.12 H new ATOM 0 HB1 ALA A 75 -2.481 3.039 -15.391 1.00 62.41 H new ATOM 0 HB2 ALA A 75 -1.872 4.706 -15.527 1.00 62.41 H new ATOM 0 HB3 ALA A 75 -3.515 4.405 -14.913 1.00 62.41 H new ATOM 1014 N GLU A 76 -5.621 3.589 -16.625 1.00 50.23 N ATOM 1015 CA GLU A 76 -6.828 2.776 -16.712 1.00 32.21 C ATOM 1016 C GLU A 76 -7.335 2.705 -18.150 1.00 2.53 C ATOM 1017 O GLU A 76 -7.802 1.662 -18.604 1.00 22.50 O ATOM 1018 CB GLU A 76 -7.919 3.344 -15.802 1.00 54.44 C ATOM 1019 CG GLU A 76 -7.748 2.970 -14.340 1.00 15.44 C ATOM 1020 CD GLU A 76 -9.020 2.415 -13.727 1.00 65.33 C ATOM 1021 OE1 GLU A 76 -9.529 3.025 -12.764 1.00 72.10 O ATOM 1022 OE2 GLU A 76 -9.504 1.370 -14.210 1.00 53.34 O ATOM 0 H GLU A 76 -5.730 4.451 -16.091 1.00 50.23 H new ATOM 0 HA GLU A 76 -6.580 1.767 -16.383 1.00 32.21 H new ATOM 0 HB2 GLU A 76 -7.926 4.430 -15.892 1.00 54.44 H new ATOM 0 HB3 GLU A 76 -8.890 2.989 -16.148 1.00 54.44 H new ATOM 0 HG2 GLU A 76 -6.952 2.231 -14.249 1.00 15.44 H new ATOM 0 HG3 GLU A 76 -7.432 3.849 -13.778 1.00 15.44 H new ATOM 1029 N ALA A 77 -7.239 3.825 -18.860 1.00 32.31 N ATOM 1030 CA ALA A 77 -7.686 3.891 -20.246 1.00 21.52 C ATOM 1031 C ALA A 77 -6.914 2.907 -21.119 1.00 21.03 C ATOM 1032 O ALA A 77 -7.506 2.123 -21.861 1.00 2.11 O ATOM 1033 CB ALA A 77 -7.535 5.306 -20.782 1.00 51.33 C ATOM 0 H ALA A 77 -6.856 4.698 -18.498 1.00 32.31 H new ATOM 0 HA ALA A 77 -8.740 3.614 -20.276 1.00 21.52 H new ATOM 0 HB1 ALA A 77 -7.872 5.341 -21.818 1.00 51.33 H new ATOM 0 HB2 ALA A 77 -8.136 5.989 -20.181 1.00 51.33 H new ATOM 0 HB3 ALA A 77 -6.488 5.604 -20.731 1.00 51.33 H new ATOM 1039 N PHE A 78 -5.589 2.954 -21.026 1.00 31.05 N ATOM 1040 CA PHE A 78 -4.736 2.068 -21.808 1.00 63.25 C ATOM 1041 C PHE A 78 -4.935 0.613 -21.392 1.00 42.42 C ATOM 1042 O PHE A 78 -4.948 -0.286 -22.232 1.00 24.43 O ATOM 1043 CB PHE A 78 -3.267 2.461 -21.642 1.00 5.33 C ATOM 1044 CG PHE A 78 -2.771 3.394 -22.710 1.00 22.14 C ATOM 1045 CD1 PHE A 78 -2.024 2.915 -23.774 1.00 3.32 C ATOM 1046 CD2 PHE A 78 -3.051 4.749 -22.649 1.00 14.52 C ATOM 1047 CE1 PHE A 78 -1.566 3.771 -24.758 1.00 73.24 C ATOM 1048 CE2 PHE A 78 -2.597 5.610 -23.631 1.00 31.44 C ATOM 1049 CZ PHE A 78 -1.853 5.120 -24.686 1.00 24.10 C ATOM 0 H PHE A 78 -5.083 3.597 -20.417 1.00 31.05 H new ATOM 0 HA PHE A 78 -5.016 2.169 -22.857 1.00 63.25 H new ATOM 0 HB2 PHE A 78 -3.133 2.932 -20.668 1.00 5.33 H new ATOM 0 HB3 PHE A 78 -2.655 1.559 -21.646 1.00 5.33 H new ATOM 0 HD1 PHE A 78 -1.797 1.861 -23.835 1.00 3.32 H new ATOM 0 HD2 PHE A 78 -3.631 5.138 -21.825 1.00 14.52 H new ATOM 0 HE1 PHE A 78 -0.984 3.385 -25.582 1.00 73.24 H new ATOM 0 HE2 PHE A 78 -2.824 6.664 -23.573 1.00 31.44 H new ATOM 0 HZ PHE A 78 -1.496 5.791 -25.454 1.00 24.10 H new ATOM 1059 N GLN A 79 -5.089 0.392 -20.091 1.00 0.43 N ATOM 1060 CA GLN A 79 -5.286 -0.952 -19.563 1.00 20.43 C ATOM 1061 C GLN A 79 -6.526 -1.600 -20.171 1.00 2.31 C ATOM 1062 O GLN A 79 -6.487 -2.748 -20.612 1.00 64.51 O ATOM 1063 CB GLN A 79 -5.413 -0.911 -18.039 1.00 30.31 C ATOM 1064 CG GLN A 79 -4.174 -1.407 -17.312 1.00 22.55 C ATOM 1065 CD GLN A 79 -4.128 -0.959 -15.864 1.00 71.30 C ATOM 1066 OE1 GLN A 79 -4.341 -1.755 -14.949 1.00 21.03 O ATOM 1067 NE2 GLN A 79 -3.849 0.321 -15.649 1.00 12.00 N ATOM 0 H GLN A 79 -5.081 1.126 -19.383 1.00 0.43 H new ATOM 0 HA GLN A 79 -4.416 -1.551 -19.832 1.00 20.43 H new ATOM 0 HB2 GLN A 79 -5.622 0.113 -17.728 1.00 30.31 H new ATOM 0 HB3 GLN A 79 -6.268 -1.516 -17.738 1.00 30.31 H new ATOM 0 HG2 GLN A 79 -4.145 -2.496 -17.352 1.00 22.55 H new ATOM 0 HG3 GLN A 79 -3.285 -1.045 -17.829 1.00 22.55 H new ATOM 0 HE21 GLN A 79 -3.679 0.945 -16.437 1.00 12.00 H new ATOM 0 HE22 GLN A 79 -3.804 0.680 -14.695 1.00 12.00 H new ATOM 1076 N LYS A 80 -7.626 -0.855 -20.191 1.00 33.42 N ATOM 1077 CA LYS A 80 -8.879 -1.355 -20.745 1.00 63.35 C ATOM 1078 C LYS A 80 -8.706 -1.753 -22.208 1.00 23.01 C ATOM 1079 O LYS A 80 -8.775 -2.932 -22.552 1.00 65.43 O ATOM 1080 CB LYS A 80 -9.975 -0.295 -20.621 1.00 1.15 C ATOM 1081 CG LYS A 80 -11.369 -0.825 -20.907 1.00 52.31 C ATOM 1082 CD LYS A 80 -12.438 0.036 -20.255 1.00 0.40 C ATOM 1083 CE LYS A 80 -12.713 1.293 -21.067 1.00 33.14 C ATOM 1084 NZ LYS A 80 -13.142 2.428 -20.203 1.00 72.04 N ATOM 0 H LYS A 80 -7.675 0.098 -19.830 1.00 33.42 H new ATOM 0 HA LYS A 80 -9.171 -2.239 -20.177 1.00 63.35 H new ATOM 0 HB2 LYS A 80 -9.953 0.122 -19.614 1.00 1.15 H new ATOM 0 HB3 LYS A 80 -9.758 0.522 -21.309 1.00 1.15 H new ATOM 0 HG2 LYS A 80 -11.533 -0.857 -21.984 1.00 52.31 H new ATOM 0 HG3 LYS A 80 -11.452 -1.849 -20.542 1.00 52.31 H new ATOM 0 HD2 LYS A 80 -13.358 -0.540 -20.151 1.00 0.40 H new ATOM 0 HD3 LYS A 80 -12.121 0.313 -19.250 1.00 0.40 H new ATOM 0 HE2 LYS A 80 -11.815 1.574 -21.617 1.00 33.14 H new ATOM 0 HE3 LYS A 80 -13.487 1.086 -21.806 1.00 33.14 H new ATOM 0 HZ1 LYS A 80 -13.320 3.266 -20.793 1.00 72.04 H new ATOM 0 HZ2 LYS A 80 -14.013 2.169 -19.697 1.00 72.04 H new ATOM 0 HZ3 LYS A 80 -12.393 2.642 -19.514 1.00 72.04 H new ATOM 1098 N ALA A 81 -8.480 -0.761 -23.063 1.00 64.43 N ATOM 1099 CA ALA A 81 -8.293 -1.009 -24.488 1.00 13.24 C ATOM 1100 C ALA A 81 -6.978 -0.414 -24.981 1.00 34.34 C ATOM 1101 O ALA A 81 -6.393 0.467 -24.351 1.00 21.11 O ATOM 1102 CB ALA A 81 -9.462 -0.440 -25.279 1.00 65.23 C ATOM 0 H ALA A 81 -8.422 0.221 -22.794 1.00 64.43 H new ATOM 0 HA ALA A 81 -8.254 -2.087 -24.643 1.00 13.24 H new ATOM 0 HB1 ALA A 81 -9.310 -0.632 -26.341 1.00 65.23 H new ATOM 0 HB2 ALA A 81 -10.387 -0.915 -24.953 1.00 65.23 H new ATOM 0 HB3 ALA A 81 -9.527 0.635 -25.110 1.00 65.23 H new ATOM 1108 N PRO A 82 -6.501 -0.906 -26.133 1.00 61.54 N ATOM 1109 CA PRO A 82 -5.249 -0.438 -26.736 1.00 74.01 C ATOM 1110 C PRO A 82 -5.363 0.983 -27.276 1.00 44.43 C ATOM 1111 O PRO A 82 -6.453 1.543 -27.396 1.00 61.31 O ATOM 1112 CB PRO A 82 -5.014 -1.428 -27.880 1.00 14.30 C ATOM 1113 CG PRO A 82 -6.371 -1.936 -28.226 1.00 13.01 C ATOM 1114 CD PRO A 82 -7.146 -1.958 -26.937 1.00 53.25 C ATOM 0 HA PRO A 82 -4.435 -0.403 -26.012 1.00 74.01 H new ATOM 0 HB2 PRO A 82 -4.544 -0.941 -28.734 1.00 14.30 H new ATOM 0 HB3 PRO A 82 -4.354 -2.239 -27.572 1.00 14.30 H new ATOM 0 HG2 PRO A 82 -6.854 -1.291 -28.961 1.00 13.01 H new ATOM 0 HG3 PRO A 82 -6.315 -2.932 -28.665 1.00 13.01 H new ATOM 0 HD2 PRO A 82 -8.203 -1.748 -27.100 1.00 53.25 H new ATOM 0 HD3 PRO A 82 -7.086 -2.931 -26.449 1.00 53.25 H new ATOM 1122 N PRO A 83 -4.211 1.584 -27.611 1.00 62.53 N ATOM 1123 CA PRO A 83 -4.155 2.948 -28.145 1.00 60.54 C ATOM 1124 C PRO A 83 -4.728 3.042 -29.555 1.00 62.25 C ATOM 1125 O PRO A 83 -5.320 4.054 -29.928 1.00 72.13 O ATOM 1126 CB PRO A 83 -2.657 3.264 -28.154 1.00 74.14 C ATOM 1127 CG PRO A 83 -1.990 1.935 -28.243 1.00 60.05 C ATOM 1128 CD PRO A 83 -2.874 0.977 -27.495 1.00 33.51 C ATOM 0 HA PRO A 83 -4.748 3.643 -27.551 1.00 60.54 H new ATOM 0 HB2 PRO A 83 -2.391 3.898 -29.000 1.00 74.14 H new ATOM 0 HB3 PRO A 83 -2.359 3.797 -27.251 1.00 74.14 H new ATOM 0 HG2 PRO A 83 -1.872 1.627 -29.282 1.00 60.05 H new ATOM 0 HG3 PRO A 83 -0.993 1.969 -27.805 1.00 60.05 H new ATOM 0 HD2 PRO A 83 -2.846 -0.021 -27.933 1.00 33.51 H new ATOM 0 HD3 PRO A 83 -2.567 0.877 -26.454 1.00 33.51 H new ATOM 1136 N MET A 84 -4.548 1.980 -30.335 1.00 5.34 N ATOM 1137 CA MET A 84 -5.049 1.944 -31.704 1.00 24.23 C ATOM 1138 C MET A 84 -4.374 3.013 -32.558 1.00 74.40 C ATOM 1139 O MET A 84 -4.810 4.164 -32.587 1.00 22.13 O ATOM 1140 CB MET A 84 -6.565 2.143 -31.720 1.00 14.32 C ATOM 1141 CG MET A 84 -7.335 0.914 -32.176 1.00 11.43 C ATOM 1142 SD MET A 84 -8.320 1.221 -33.654 1.00 74.03 S ATOM 1143 CE MET A 84 -9.437 2.489 -33.060 1.00 42.42 C ATOM 0 H MET A 84 -4.059 1.134 -30.042 1.00 5.34 H new ATOM 0 HA MET A 84 -4.814 0.966 -32.125 1.00 24.23 H new ATOM 0 HB2 MET A 84 -6.897 2.419 -30.719 1.00 14.32 H new ATOM 0 HB3 MET A 84 -6.807 2.978 -32.378 1.00 14.32 H new ATOM 0 HG2 MET A 84 -6.634 0.103 -32.373 1.00 11.43 H new ATOM 0 HG3 MET A 84 -7.989 0.581 -31.371 1.00 11.43 H new ATOM 0 HE1 MET A 84 -10.345 2.486 -33.664 1.00 42.42 H new ATOM 0 HE2 MET A 84 -9.693 2.290 -32.019 1.00 42.42 H new ATOM 0 HE3 MET A 84 -8.954 3.463 -33.135 1.00 42.42 H new ATOM 1153 N TYR A 85 -3.310 2.624 -33.252 1.00 14.40 N ATOM 1154 CA TYR A 85 -2.575 3.550 -34.105 1.00 3.32 C ATOM 1155 C TYR A 85 -2.605 3.092 -35.560 1.00 11.32 C ATOM 1156 O TYR A 85 -2.264 1.951 -35.870 1.00 61.13 O ATOM 1157 CB TYR A 85 -1.127 3.675 -33.628 1.00 24.00 C ATOM 1158 CG TYR A 85 -0.663 5.105 -33.466 1.00 54.11 C ATOM 1159 CD1 TYR A 85 -0.158 5.559 -32.254 1.00 12.31 C ATOM 1160 CD2 TYR A 85 -0.732 6.002 -34.525 1.00 3.54 C ATOM 1161 CE1 TYR A 85 0.266 6.865 -32.101 1.00 14.20 C ATOM 1162 CE2 TYR A 85 -0.309 7.310 -34.381 1.00 61.32 C ATOM 1163 CZ TYR A 85 0.189 7.736 -33.168 1.00 13.44 C ATOM 1164 OH TYR A 85 0.610 9.038 -33.020 1.00 53.23 O ATOM 0 H TYR A 85 -2.938 1.674 -33.241 1.00 14.40 H new ATOM 0 HA TYR A 85 -3.058 4.525 -34.040 1.00 3.32 H new ATOM 0 HB2 TYR A 85 -1.022 3.158 -32.674 1.00 24.00 H new ATOM 0 HB3 TYR A 85 -0.474 3.169 -34.339 1.00 24.00 H new ATOM 0 HD1 TYR A 85 -0.096 4.879 -31.417 1.00 12.31 H new ATOM 0 HD2 TYR A 85 -1.123 5.672 -35.476 1.00 3.54 H new ATOM 0 HE1 TYR A 85 0.655 7.202 -31.152 1.00 14.20 H new ATOM 0 HE2 TYR A 85 -0.368 7.995 -35.214 1.00 61.32 H new ATOM 0 HH TYR A 85 0.490 9.519 -33.865 1.00 53.23 H new ATOM 1174 N ASP A 86 -3.016 3.991 -36.447 1.00 43.34 N ATOM 1175 CA ASP A 86 -3.090 3.682 -37.871 1.00 2.04 C ATOM 1176 C ASP A 86 -1.752 3.159 -38.383 1.00 44.04 C ATOM 1177 O ASP A 86 -1.700 2.177 -39.124 1.00 33.55 O ATOM 1178 CB ASP A 86 -3.504 4.923 -38.663 1.00 60.11 C ATOM 1179 CG ASP A 86 -4.920 4.824 -39.195 1.00 70.14 C ATOM 1180 OD1 ASP A 86 -5.242 3.804 -39.840 1.00 61.31 O ATOM 1181 OD2 ASP A 86 -5.707 5.766 -38.967 1.00 4.24 O ATOM 0 H ASP A 86 -3.303 4.940 -36.206 1.00 43.34 H new ATOM 0 HA ASP A 86 -3.841 2.905 -38.011 1.00 2.04 H new ATOM 0 HB2 ASP A 86 -3.419 5.803 -38.025 1.00 60.11 H new ATOM 0 HB3 ASP A 86 -2.815 5.066 -39.496 1.00 60.11 H new ATOM 1186 N ASP A 87 -0.672 3.822 -37.986 1.00 45.50 N ATOM 1187 CA ASP A 87 0.667 3.425 -38.405 1.00 64.23 C ATOM 1188 C ASP A 87 0.907 1.944 -38.125 1.00 42.52 C ATOM 1189 O ASP A 87 1.074 1.146 -39.048 1.00 0.43 O ATOM 1190 CB ASP A 87 1.722 4.270 -37.688 1.00 75.40 C ATOM 1191 CG ASP A 87 3.127 3.982 -38.180 1.00 35.25 C ATOM 1192 OD1 ASP A 87 3.273 3.567 -39.348 1.00 63.05 O ATOM 1193 OD2 ASP A 87 4.079 4.172 -37.396 1.00 5.35 O ATOM 0 H ASP A 87 -0.697 4.638 -37.374 1.00 45.50 H new ATOM 0 HA ASP A 87 0.749 3.592 -39.479 1.00 64.23 H new ATOM 0 HB2 ASP A 87 1.498 5.327 -37.835 1.00 75.40 H new ATOM 0 HB3 ASP A 87 1.669 4.079 -36.616 1.00 75.40 H new ATOM 1198 N VAL A 88 0.924 1.585 -36.846 1.00 23.43 N ATOM 1199 CA VAL A 88 1.144 0.200 -36.444 1.00 12.43 C ATOM 1200 C VAL A 88 0.086 -0.256 -35.445 1.00 62.22 C ATOM 1201 O VAL A 88 -0.167 0.415 -34.445 1.00 75.04 O ATOM 1202 CB VAL A 88 2.539 0.012 -35.819 1.00 61.22 C ATOM 1203 CG1 VAL A 88 2.750 -1.438 -35.410 1.00 72.15 C ATOM 1204 CG2 VAL A 88 3.621 0.464 -36.788 1.00 4.12 C ATOM 0 H VAL A 88 0.788 2.233 -36.070 1.00 23.43 H new ATOM 0 HA VAL A 88 1.074 -0.407 -37.347 1.00 12.43 H new ATOM 0 HB VAL A 88 2.604 0.630 -34.923 1.00 61.22 H new ATOM 0 HG11 VAL A 88 3.741 -1.552 -34.970 1.00 72.15 H new ATOM 0 HG12 VAL A 88 1.994 -1.724 -34.679 1.00 72.15 H new ATOM 0 HG13 VAL A 88 2.667 -2.079 -36.287 1.00 72.15 H new ATOM 0 HG21 VAL A 88 4.600 0.324 -36.331 1.00 4.12 H new ATOM 0 HG22 VAL A 88 3.560 -0.126 -37.702 1.00 4.12 H new ATOM 0 HG23 VAL A 88 3.479 1.518 -37.026 1.00 4.12 H new ATOM 1214 N GLN A 89 -0.527 -1.402 -35.724 1.00 20.15 N ATOM 1215 CA GLN A 89 -1.558 -1.948 -34.849 1.00 21.30 C ATOM 1216 C GLN A 89 -0.984 -2.291 -33.478 1.00 44.13 C ATOM 1217 O GLN A 89 -0.038 -3.073 -33.367 1.00 53.13 O ATOM 1218 CB GLN A 89 -2.183 -3.194 -35.479 1.00 33.01 C ATOM 1219 CG GLN A 89 -3.484 -3.622 -34.818 1.00 62.33 C ATOM 1220 CD GLN A 89 -4.210 -4.698 -35.602 1.00 40.30 C ATOM 1221 OE1 GLN A 89 -3.602 -5.430 -36.383 1.00 52.05 O ATOM 1222 NE2 GLN A 89 -5.518 -4.799 -35.397 1.00 0.12 N ATOM 0 H GLN A 89 -0.328 -1.970 -36.548 1.00 20.15 H new ATOM 0 HA GLN A 89 -2.329 -1.188 -34.720 1.00 21.30 H new ATOM 0 HB2 GLN A 89 -2.368 -3.003 -36.536 1.00 33.01 H new ATOM 0 HB3 GLN A 89 -1.469 -4.016 -35.424 1.00 33.01 H new ATOM 0 HG2 GLN A 89 -3.273 -3.989 -33.814 1.00 62.33 H new ATOM 0 HG3 GLN A 89 -4.135 -2.754 -34.710 1.00 62.33 H new ATOM 0 HE21 GLN A 89 -5.981 -4.171 -34.740 1.00 0.12 H new ATOM 0 HE22 GLN A 89 -6.060 -5.505 -35.896 1.00 0.12 H new ATOM 1231 N LEU A 90 -1.560 -1.701 -32.437 1.00 23.12 N ATOM 1232 CA LEU A 90 -1.105 -1.944 -31.072 1.00 41.40 C ATOM 1233 C LEU A 90 -2.024 -2.930 -30.359 1.00 15.43 C ATOM 1234 O LEU A 90 -3.248 -2.844 -30.467 1.00 33.43 O ATOM 1235 CB LEU A 90 -1.045 -0.629 -30.292 1.00 41.13 C ATOM 1236 CG LEU A 90 0.350 -0.156 -29.880 1.00 35.11 C ATOM 1237 CD1 LEU A 90 1.021 -1.188 -28.987 1.00 14.02 C ATOM 1238 CD2 LEU A 90 1.203 0.124 -31.109 1.00 13.15 C ATOM 0 H LEU A 90 -2.343 -1.051 -32.511 1.00 23.12 H new ATOM 0 HA LEU A 90 -0.106 -2.377 -31.120 1.00 41.40 H new ATOM 0 HB2 LEU A 90 -1.507 0.151 -30.897 1.00 41.13 H new ATOM 0 HB3 LEU A 90 -1.651 -0.735 -29.392 1.00 41.13 H new ATOM 0 HG LEU A 90 0.247 0.771 -29.316 1.00 35.11 H new ATOM 0 HD11 LEU A 90 2.012 -0.834 -28.704 1.00 14.02 H new ATOM 0 HD12 LEU A 90 0.420 -1.339 -28.090 1.00 14.02 H new ATOM 0 HD13 LEU A 90 1.112 -2.131 -29.526 1.00 14.02 H new ATOM 0 HD21 LEU A 90 2.192 0.459 -30.797 1.00 13.15 H new ATOM 0 HD22 LEU A 90 1.299 -0.786 -31.701 1.00 13.15 H new ATOM 0 HD23 LEU A 90 0.730 0.900 -31.711 1.00 13.15 H new ATOM 1250 N THR A 91 -1.427 -3.865 -29.627 1.00 31.01 N ATOM 1251 CA THR A 91 -2.192 -4.867 -28.895 1.00 4.44 C ATOM 1252 C THR A 91 -1.815 -4.874 -27.417 1.00 71.15 C ATOM 1253 O THR A 91 -0.759 -5.380 -27.039 1.00 33.51 O ATOM 1254 CB THR A 91 -1.972 -6.276 -29.476 1.00 34.23 C ATOM 1255 OG1 THR A 91 -1.818 -6.202 -30.897 1.00 42.53 O ATOM 1256 CG2 THR A 91 -3.140 -7.190 -29.135 1.00 11.32 C ATOM 0 H THR A 91 -0.416 -3.949 -29.525 1.00 31.01 H new ATOM 0 HA THR A 91 -3.244 -4.600 -28.998 1.00 4.44 H new ATOM 0 HB THR A 91 -1.065 -6.689 -29.034 1.00 34.23 H new ATOM 0 HG1 THR A 91 -1.677 -7.102 -31.258 1.00 42.53 H new ATOM 0 HG21 THR A 91 -2.962 -8.180 -29.556 1.00 11.32 H new ATOM 0 HG22 THR A 91 -3.237 -7.268 -28.052 1.00 11.32 H new ATOM 0 HG23 THR A 91 -4.059 -6.778 -29.553 1.00 11.32 H new ATOM 1264 N ALA A 92 -2.686 -4.310 -26.587 1.00 3.12 N ATOM 1265 CA ALA A 92 -2.445 -4.254 -25.150 1.00 72.33 C ATOM 1266 C ALA A 92 -3.419 -5.153 -24.396 1.00 24.45 C ATOM 1267 O ALA A 92 -4.590 -5.257 -24.758 1.00 41.21 O ATOM 1268 CB ALA A 92 -2.553 -2.821 -24.652 1.00 52.31 C ATOM 0 H ALA A 92 -3.564 -3.886 -26.885 1.00 3.12 H new ATOM 0 HA ALA A 92 -1.435 -4.617 -24.961 1.00 72.33 H new ATOM 0 HB1 ALA A 92 -2.371 -2.794 -23.578 1.00 52.31 H new ATOM 0 HB2 ALA A 92 -1.814 -2.202 -25.161 1.00 52.31 H new ATOM 0 HB3 ALA A 92 -3.552 -2.438 -24.860 1.00 52.31 H new ATOM 1274 N GLU A 93 -2.925 -5.802 -23.345 1.00 52.12 N ATOM 1275 CA GLU A 93 -3.753 -6.694 -22.541 1.00 44.41 C ATOM 1276 C GLU A 93 -3.954 -6.130 -21.137 1.00 73.23 C ATOM 1277 O GLU A 93 -3.277 -5.186 -20.733 1.00 25.01 O ATOM 1278 CB GLU A 93 -3.114 -8.082 -22.459 1.00 13.35 C ATOM 1279 CG GLU A 93 -3.559 -9.023 -23.566 1.00 4.33 C ATOM 1280 CD GLU A 93 -4.788 -9.826 -23.190 1.00 34.31 C ATOM 1281 OE1 GLU A 93 -5.912 -9.332 -23.420 1.00 72.31 O ATOM 1282 OE2 GLU A 93 -4.628 -10.948 -22.666 1.00 24.13 O ATOM 0 H GLU A 93 -1.957 -5.727 -23.031 1.00 52.12 H new ATOM 0 HA GLU A 93 -4.727 -6.778 -23.023 1.00 44.41 H new ATOM 0 HB2 GLU A 93 -2.030 -7.976 -22.497 1.00 13.35 H new ATOM 0 HB3 GLU A 93 -3.357 -8.528 -21.495 1.00 13.35 H new ATOM 0 HG2 GLU A 93 -3.769 -8.445 -24.466 1.00 4.33 H new ATOM 0 HG3 GLU A 93 -2.744 -9.705 -23.807 1.00 4.33 H new ATOM 1289 N MET A 94 -4.892 -6.717 -20.400 1.00 4.42 N ATOM 1290 CA MET A 94 -5.182 -6.274 -19.041 1.00 55.21 C ATOM 1291 C MET A 94 -4.578 -7.229 -18.017 1.00 3.11 C ATOM 1292 O MET A 94 -4.404 -8.417 -18.288 1.00 24.23 O ATOM 1293 CB MET A 94 -6.694 -6.170 -18.828 1.00 41.34 C ATOM 1294 CG MET A 94 -7.080 -5.365 -17.598 1.00 55.54 C ATOM 1295 SD MET A 94 -8.866 -5.184 -17.419 1.00 64.20 S ATOM 1296 CE MET A 94 -8.997 -3.428 -17.090 1.00 72.54 C ATOM 0 H MET A 94 -5.463 -7.499 -20.720 1.00 4.42 H new ATOM 0 HA MET A 94 -4.733 -5.290 -18.903 1.00 55.21 H new ATOM 0 HB2 MET A 94 -7.146 -5.713 -19.708 1.00 41.34 H new ATOM 0 HB3 MET A 94 -7.110 -7.174 -18.741 1.00 41.34 H new ATOM 0 HG2 MET A 94 -6.677 -5.851 -16.709 1.00 55.54 H new ATOM 0 HG3 MET A 94 -6.623 -4.377 -17.657 1.00 55.54 H new ATOM 0 HE1 MET A 94 -10.045 -3.160 -16.956 1.00 72.54 H new ATOM 0 HE2 MET A 94 -8.441 -3.185 -16.184 1.00 72.54 H new ATOM 0 HE3 MET A 94 -8.584 -2.869 -17.930 1.00 72.54 H new ATOM 1306 N LYS A 95 -4.259 -6.702 -16.840 1.00 23.14 N ATOM 1307 CA LYS A 95 -3.674 -7.507 -15.774 1.00 31.23 C ATOM 1308 C LYS A 95 -4.628 -8.617 -15.344 1.00 72.15 C ATOM 1309 O LYS A 95 -4.202 -9.728 -15.025 1.00 55.30 O ATOM 1310 CB LYS A 95 -3.327 -6.625 -14.572 1.00 72.31 C ATOM 1311 CG LYS A 95 -4.511 -5.843 -14.030 1.00 42.20 C ATOM 1312 CD LYS A 95 -4.062 -4.589 -13.297 1.00 73.54 C ATOM 1313 CE LYS A 95 -5.207 -3.958 -12.521 1.00 34.14 C ATOM 1314 NZ LYS A 95 -4.832 -2.630 -11.962 1.00 15.34 N ATOM 0 H LYS A 95 -4.396 -5.720 -16.600 1.00 23.14 H new ATOM 0 HA LYS A 95 -2.762 -7.964 -16.157 1.00 31.23 H new ATOM 0 HB2 LYS A 95 -2.921 -7.251 -13.777 1.00 72.31 H new ATOM 0 HB3 LYS A 95 -2.541 -5.926 -14.859 1.00 72.31 H new ATOM 0 HG2 LYS A 95 -5.173 -5.568 -14.851 1.00 42.20 H new ATOM 0 HG3 LYS A 95 -5.087 -6.475 -13.354 1.00 42.20 H new ATOM 0 HD2 LYS A 95 -3.250 -4.837 -12.613 1.00 73.54 H new ATOM 0 HD3 LYS A 95 -3.666 -3.869 -14.014 1.00 73.54 H new ATOM 0 HE2 LYS A 95 -6.071 -3.846 -13.176 1.00 34.14 H new ATOM 0 HE3 LYS A 95 -5.506 -4.622 -11.710 1.00 34.14 H new ATOM 0 HZ1 LYS A 95 -5.639 -2.233 -11.440 1.00 15.34 H new ATOM 0 HZ2 LYS A 95 -4.023 -2.740 -11.317 1.00 15.34 H new ATOM 0 HZ3 LYS A 95 -4.571 -1.988 -12.738 1.00 15.34 H new ATOM 1328 N THR A 96 -5.922 -8.311 -15.340 1.00 41.33 N ATOM 1329 CA THR A 96 -6.936 -9.282 -14.951 1.00 32.01 C ATOM 1330 C THR A 96 -6.835 -10.550 -15.791 1.00 43.11 C ATOM 1331 O THR A 96 -6.842 -11.661 -15.261 1.00 74.50 O ATOM 1332 CB THR A 96 -8.355 -8.699 -15.091 1.00 32.31 C ATOM 1333 OG1 THR A 96 -8.314 -7.274 -14.962 1.00 14.24 O ATOM 1334 CG2 THR A 96 -9.286 -9.283 -14.039 1.00 10.34 C ATOM 0 H THR A 96 -6.292 -7.397 -15.602 1.00 41.33 H new ATOM 0 HA THR A 96 -6.753 -9.527 -13.905 1.00 32.01 H new ATOM 0 HB THR A 96 -8.737 -8.963 -16.077 1.00 32.31 H new ATOM 0 HG1 THR A 96 -8.510 -6.861 -15.829 1.00 14.24 H new ATOM 0 HG21 THR A 96 -10.282 -8.857 -14.158 1.00 10.34 H new ATOM 0 HG22 THR A 96 -9.338 -10.365 -14.159 1.00 10.34 H new ATOM 0 HG23 THR A 96 -8.906 -9.046 -13.045 1.00 10.34 H new ATOM 1342 N THR A 97 -6.739 -10.377 -17.106 1.00 25.11 N ATOM 1343 CA THR A 97 -6.636 -11.508 -18.020 1.00 3.42 C ATOM 1344 C THR A 97 -5.512 -12.450 -17.604 1.00 60.14 C ATOM 1345 O THR A 97 -5.741 -13.635 -17.362 1.00 25.41 O ATOM 1346 CB THR A 97 -6.389 -11.040 -19.467 1.00 15.34 C ATOM 1347 OG1 THR A 97 -7.336 -10.025 -19.821 1.00 60.43 O ATOM 1348 CG2 THR A 97 -6.499 -12.205 -20.438 1.00 73.03 C ATOM 0 H THR A 97 -6.730 -9.464 -17.562 1.00 25.11 H new ATOM 0 HA THR A 97 -7.587 -12.039 -17.975 1.00 3.42 H new ATOM 0 HB THR A 97 -5.380 -10.632 -19.527 1.00 15.34 H new ATOM 0 HG1 THR A 97 -7.172 -9.731 -20.741 1.00 60.43 H new ATOM 0 HG21 THR A 97 -6.321 -11.851 -21.453 1.00 73.03 H new ATOM 0 HG22 THR A 97 -5.758 -12.963 -20.183 1.00 73.03 H new ATOM 0 HG23 THR A 97 -7.497 -12.638 -20.375 1.00 73.03 H new ATOM 1356 N TYR A 98 -4.298 -11.916 -17.523 1.00 73.44 N ATOM 1357 CA TYR A 98 -3.138 -12.711 -17.139 1.00 30.15 C ATOM 1358 C TYR A 98 -3.388 -13.437 -15.820 1.00 60.12 C ATOM 1359 O TYR A 98 -3.099 -14.627 -15.688 1.00 60.25 O ATOM 1360 CB TYR A 98 -1.901 -11.820 -17.016 1.00 40.22 C ATOM 1361 CG TYR A 98 -1.148 -11.648 -18.316 1.00 2.52 C ATOM 1362 CD1 TYR A 98 -0.036 -12.429 -18.606 1.00 32.20 C ATOM 1363 CD2 TYR A 98 -1.547 -10.703 -19.253 1.00 43.31 C ATOM 1364 CE1 TYR A 98 0.656 -12.275 -19.792 1.00 34.12 C ATOM 1365 CE2 TYR A 98 -0.862 -10.543 -20.442 1.00 41.40 C ATOM 1366 CZ TYR A 98 0.239 -11.331 -20.707 1.00 14.13 C ATOM 1367 OH TYR A 98 0.924 -11.173 -21.889 1.00 63.54 O ATOM 0 H TYR A 98 -4.092 -10.936 -17.718 1.00 73.44 H new ATOM 0 HA TYR A 98 -2.966 -13.455 -17.916 1.00 30.15 H new ATOM 0 HB2 TYR A 98 -2.205 -10.840 -16.649 1.00 40.22 H new ATOM 0 HB3 TYR A 98 -1.230 -12.246 -16.270 1.00 40.22 H new ATOM 0 HD1 TYR A 98 0.293 -13.169 -17.892 1.00 32.20 H new ATOM 0 HD2 TYR A 98 -2.407 -10.083 -19.048 1.00 43.31 H new ATOM 0 HE1 TYR A 98 1.519 -12.890 -20.001 1.00 34.12 H new ATOM 0 HE2 TYR A 98 -1.187 -9.805 -21.160 1.00 41.40 H new ATOM 0 HH TYR A 98 0.500 -10.468 -22.421 1.00 63.54 H new ATOM 1377 N LEU A 99 -3.928 -12.712 -14.847 1.00 24.35 N ATOM 1378 CA LEU A 99 -4.218 -13.286 -13.537 1.00 54.30 C ATOM 1379 C LEU A 99 -5.094 -14.528 -13.669 1.00 0.33 C ATOM 1380 O LEU A 99 -4.838 -15.549 -13.032 1.00 0.01 O ATOM 1381 CB LEU A 99 -4.911 -12.251 -12.648 1.00 30.41 C ATOM 1382 CG LEU A 99 -4.745 -12.444 -11.140 1.00 54.01 C ATOM 1383 CD1 LEU A 99 -3.851 -11.360 -10.559 1.00 22.34 C ATOM 1384 CD2 LEU A 99 -6.102 -12.445 -10.450 1.00 61.34 C ATOM 0 H LEU A 99 -4.174 -11.726 -14.940 1.00 24.35 H new ATOM 0 HA LEU A 99 -3.274 -13.577 -13.077 1.00 54.30 H new ATOM 0 HB2 LEU A 99 -4.533 -11.263 -12.912 1.00 30.41 H new ATOM 0 HB3 LEU A 99 -5.976 -12.257 -12.880 1.00 30.41 H new ATOM 0 HG LEU A 99 -4.270 -13.410 -10.966 1.00 54.01 H new ATOM 0 HD11 LEU A 99 -3.744 -11.513 -9.485 1.00 22.34 H new ATOM 0 HD12 LEU A 99 -2.870 -11.406 -11.031 1.00 22.34 H new ATOM 0 HD13 LEU A 99 -4.297 -10.383 -10.743 1.00 22.34 H new ATOM 0 HD21 LEU A 99 -5.965 -12.583 -9.378 1.00 61.34 H new ATOM 0 HD22 LEU A 99 -6.603 -11.494 -10.632 1.00 61.34 H new ATOM 0 HD23 LEU A 99 -6.711 -13.258 -10.846 1.00 61.34 H new ATOM 1396 N GLU A 100 -6.126 -14.432 -14.501 1.00 34.32 N ATOM 1397 CA GLU A 100 -7.038 -15.549 -14.717 1.00 35.35 C ATOM 1398 C GLU A 100 -6.320 -16.716 -15.389 1.00 34.13 C ATOM 1399 O GLU A 100 -6.566 -17.879 -15.067 1.00 15.42 O ATOM 1400 CB GLU A 100 -8.228 -15.108 -15.572 1.00 10.54 C ATOM 1401 CG GLU A 100 -9.405 -16.067 -15.519 1.00 11.11 C ATOM 1402 CD GLU A 100 -9.723 -16.675 -16.871 1.00 51.01 C ATOM 1403 OE1 GLU A 100 -10.091 -15.915 -17.791 1.00 14.41 O ATOM 1404 OE2 GLU A 100 -9.604 -17.910 -17.010 1.00 30.24 O ATOM 0 H GLU A 100 -6.351 -13.593 -15.036 1.00 34.32 H new ATOM 0 HA GLU A 100 -7.402 -15.880 -13.744 1.00 35.35 H new ATOM 0 HB2 GLU A 100 -8.557 -14.123 -15.240 1.00 10.54 H new ATOM 0 HB3 GLU A 100 -7.902 -15.003 -16.607 1.00 10.54 H new ATOM 0 HG2 GLU A 100 -9.188 -16.864 -14.808 1.00 11.11 H new ATOM 0 HG3 GLU A 100 -10.283 -15.539 -15.147 1.00 11.11 H new ATOM 1411 N ARG A 101 -5.432 -16.397 -16.324 1.00 53.43 N ATOM 1412 CA ARG A 101 -4.680 -17.417 -17.044 1.00 24.35 C ATOM 1413 C ARG A 101 -3.842 -18.254 -16.081 1.00 64.02 C ATOM 1414 O ARG A 101 -3.998 -19.473 -16.002 1.00 53.34 O ATOM 1415 CB ARG A 101 -3.775 -16.769 -18.093 1.00 70.33 C ATOM 1416 CG ARG A 101 -4.537 -16.118 -19.236 1.00 13.35 C ATOM 1417 CD ARG A 101 -5.391 -17.129 -19.984 1.00 62.42 C ATOM 1418 NE ARG A 101 -5.727 -16.672 -21.330 1.00 34.31 N ATOM 1419 CZ ARG A 101 -6.708 -15.815 -21.591 1.00 42.10 C ATOM 1420 NH1 ARG A 101 -7.444 -15.324 -20.604 1.00 10.12 N ATOM 1421 NH2 ARG A 101 -6.953 -15.447 -22.842 1.00 51.30 N ATOM 0 H ARG A 101 -5.215 -15.439 -16.601 1.00 53.43 H new ATOM 0 HA ARG A 101 -5.392 -18.073 -17.545 1.00 24.35 H new ATOM 0 HB2 ARG A 101 -3.152 -16.017 -17.608 1.00 70.33 H new ATOM 0 HB3 ARG A 101 -3.104 -17.526 -18.499 1.00 70.33 H new ATOM 0 HG2 ARG A 101 -5.172 -15.323 -18.845 1.00 13.35 H new ATOM 0 HG3 ARG A 101 -3.833 -15.654 -19.926 1.00 13.35 H new ATOM 0 HD2 ARG A 101 -4.859 -18.078 -20.046 1.00 62.42 H new ATOM 0 HD3 ARG A 101 -6.308 -17.314 -19.424 1.00 62.42 H new ATOM 0 HE ARG A 101 -5.179 -17.030 -22.112 1.00 34.31 H new ATOM 0 HH11 ARG A 101 -7.258 -15.604 -19.641 1.00 10.12 H new ATOM 0 HH12 ARG A 101 -8.196 -14.666 -20.807 1.00 10.12 H new ATOM 0 HH21 ARG A 101 -6.388 -15.822 -23.604 1.00 51.30 H new ATOM 0 HH22 ARG A 101 -7.706 -14.789 -23.042 1.00 51.30 H new ATOM 1435 N LYS A 102 -2.951 -17.592 -15.351 1.00 42.41 N ATOM 1436 CA LYS A 102 -2.088 -18.272 -14.393 1.00 62.41 C ATOM 1437 C LYS A 102 -2.914 -19.007 -13.343 1.00 34.43 C ATOM 1438 O LYS A 102 -2.584 -20.126 -12.951 1.00 23.05 O ATOM 1439 CB LYS A 102 -1.155 -17.268 -13.712 1.00 70.23 C ATOM 1440 CG LYS A 102 -1.887 -16.135 -13.014 1.00 22.23 C ATOM 1441 CD LYS A 102 -0.923 -15.066 -12.526 1.00 54.14 C ATOM 1442 CE LYS A 102 0.023 -15.609 -11.467 1.00 34.15 C ATOM 1443 NZ LYS A 102 0.045 -14.750 -10.250 1.00 71.13 N ATOM 0 H LYS A 102 -2.808 -16.584 -15.405 1.00 42.41 H new ATOM 0 HA LYS A 102 -1.490 -19.003 -14.937 1.00 62.41 H new ATOM 0 HB2 LYS A 102 -0.538 -17.794 -12.984 1.00 70.23 H new ATOM 0 HB3 LYS A 102 -0.480 -16.848 -14.458 1.00 70.23 H new ATOM 0 HG2 LYS A 102 -2.609 -15.690 -13.699 1.00 22.23 H new ATOM 0 HG3 LYS A 102 -2.451 -16.531 -12.169 1.00 22.23 H new ATOM 0 HD2 LYS A 102 -0.347 -14.683 -13.368 1.00 54.14 H new ATOM 0 HD3 LYS A 102 -1.486 -14.227 -12.117 1.00 54.14 H new ATOM 0 HE2 LYS A 102 -0.280 -16.619 -11.193 1.00 34.15 H new ATOM 0 HE3 LYS A 102 1.029 -15.679 -11.880 1.00 34.15 H new ATOM 0 HZ1 LYS A 102 0.702 -15.154 -9.552 1.00 71.13 H new ATOM 0 HZ2 LYS A 102 0.359 -13.792 -10.507 1.00 71.13 H new ATOM 0 HZ3 LYS A 102 -0.910 -14.703 -9.841 1.00 71.13 H new ATOM 1457 N ALA A 103 -3.991 -18.372 -12.893 1.00 12.14 N ATOM 1458 CA ALA A 103 -4.867 -18.967 -11.891 1.00 24.33 C ATOM 1459 C ALA A 103 -5.414 -20.308 -12.367 1.00 60.43 C ATOM 1460 O ALA A 103 -5.453 -21.277 -11.610 1.00 31.14 O ATOM 1461 CB ALA A 103 -6.008 -18.018 -11.556 1.00 23.32 C ATOM 0 H ALA A 103 -4.278 -17.445 -13.207 1.00 12.14 H new ATOM 0 HA ALA A 103 -4.280 -19.143 -10.990 1.00 24.33 H new ATOM 0 HB1 ALA A 103 -6.654 -18.476 -10.807 1.00 23.32 H new ATOM 0 HB2 ALA A 103 -5.602 -17.085 -11.164 1.00 23.32 H new ATOM 0 HB3 ALA A 103 -6.587 -17.812 -12.457 1.00 23.32 H new ATOM 1467 N GLU A 104 -5.836 -20.356 -13.627 1.00 70.20 N ATOM 1468 CA GLU A 104 -6.383 -21.579 -14.203 1.00 23.21 C ATOM 1469 C GLU A 104 -5.288 -22.623 -14.402 1.00 61.42 C ATOM 1470 O GLU A 104 -5.516 -23.819 -14.221 1.00 14.23 O ATOM 1471 CB GLU A 104 -7.066 -21.279 -15.539 1.00 20.33 C ATOM 1472 CG GLU A 104 -7.736 -22.491 -16.165 1.00 41.33 C ATOM 1473 CD GLU A 104 -7.973 -22.321 -17.653 1.00 74.43 C ATOM 1474 OE1 GLU A 104 -6.989 -22.377 -18.421 1.00 14.55 O ATOM 1475 OE2 GLU A 104 -9.142 -22.134 -18.051 1.00 12.34 O ATOM 0 H GLU A 104 -5.810 -19.563 -14.268 1.00 70.20 H new ATOM 0 HA GLU A 104 -7.121 -21.979 -13.508 1.00 23.21 H new ATOM 0 HB2 GLU A 104 -7.812 -20.499 -15.389 1.00 20.33 H new ATOM 0 HB3 GLU A 104 -6.326 -20.883 -16.235 1.00 20.33 H new ATOM 0 HG2 GLU A 104 -7.116 -23.372 -15.998 1.00 41.33 H new ATOM 0 HG3 GLU A 104 -8.689 -22.673 -15.667 1.00 41.33 H new ATOM 1482 N GLU A 105 -4.099 -22.162 -14.777 1.00 51.33 N ATOM 1483 CA GLU A 105 -2.970 -23.056 -15.003 1.00 5.13 C ATOM 1484 C GLU A 105 -2.632 -23.836 -13.735 1.00 62.04 C ATOM 1485 O GLU A 105 -2.679 -25.066 -13.720 1.00 73.43 O ATOM 1486 CB GLU A 105 -1.747 -22.262 -15.467 1.00 43.11 C ATOM 1487 CG GLU A 105 -0.688 -23.116 -16.144 1.00 41.34 C ATOM 1488 CD GLU A 105 0.354 -22.286 -16.870 1.00 73.51 C ATOM 1489 OE1 GLU A 105 1.009 -22.827 -17.786 1.00 34.10 O ATOM 1490 OE2 GLU A 105 0.514 -21.098 -16.523 1.00 3.04 O ATOM 0 H GLU A 105 -3.893 -21.175 -14.931 1.00 51.33 H new ATOM 0 HA GLU A 105 -3.251 -23.765 -15.782 1.00 5.13 H new ATOM 0 HB2 GLU A 105 -2.070 -21.484 -16.158 1.00 43.11 H new ATOM 0 HB3 GLU A 105 -1.302 -21.760 -14.607 1.00 43.11 H new ATOM 0 HG2 GLU A 105 -0.196 -23.738 -15.396 1.00 41.34 H new ATOM 0 HG3 GLU A 105 -1.169 -23.790 -16.853 1.00 41.34 H new ATOM 1497 N ILE A 106 -2.290 -23.112 -12.675 1.00 55.52 N ATOM 1498 CA ILE A 106 -1.945 -23.735 -11.404 1.00 13.14 C ATOM 1499 C ILE A 106 -3.067 -24.644 -10.915 1.00 35.42 C ATOM 1500 O ILE A 106 -2.817 -25.690 -10.316 1.00 4.43 O ATOM 1501 CB ILE A 106 -1.647 -22.680 -10.322 1.00 41.11 C ATOM 1502 CG1 ILE A 106 -1.290 -23.361 -8.999 1.00 45.23 C ATOM 1503 CG2 ILE A 106 -2.840 -21.754 -10.142 1.00 14.21 C ATOM 1504 CD1 ILE A 106 -0.280 -22.591 -8.177 1.00 30.02 C ATOM 0 H ILE A 106 -2.244 -22.093 -12.671 1.00 55.52 H new ATOM 0 HA ILE A 106 -1.048 -24.329 -11.578 1.00 13.14 H new ATOM 0 HB ILE A 106 -0.794 -22.083 -10.643 1.00 41.11 H new ATOM 0 HG12 ILE A 106 -2.198 -23.495 -8.412 1.00 45.23 H new ATOM 0 HG13 ILE A 106 -0.895 -24.356 -9.206 1.00 45.23 H new ATOM 0 HG21 ILE A 106 -2.614 -21.014 -9.374 1.00 14.21 H new ATOM 0 HG22 ILE A 106 -3.052 -21.247 -11.083 1.00 14.21 H new ATOM 0 HG23 ILE A 106 -3.710 -22.336 -9.839 1.00 14.21 H new ATOM 0 HD11 ILE A 106 -0.074 -23.132 -7.253 1.00 30.02 H new ATOM 0 HD12 ILE A 106 0.643 -22.480 -8.746 1.00 30.02 H new ATOM 0 HD13 ILE A 106 -0.680 -21.606 -7.939 1.00 30.02 H new ATOM 1516 N ALA A 107 -4.306 -24.240 -11.176 1.00 50.34 N ATOM 1517 CA ALA A 107 -5.467 -25.020 -10.767 1.00 11.14 C ATOM 1518 C ALA A 107 -5.455 -26.402 -11.411 1.00 52.12 C ATOM 1519 O ALA A 107 -5.785 -27.399 -10.770 1.00 55.10 O ATOM 1520 CB ALA A 107 -6.750 -24.282 -11.119 1.00 50.15 C ATOM 0 H ALA A 107 -4.531 -23.376 -11.669 1.00 50.34 H new ATOM 0 HA ALA A 107 -5.422 -25.152 -9.686 1.00 11.14 H new ATOM 0 HB1 ALA A 107 -7.609 -24.877 -10.808 1.00 50.15 H new ATOM 0 HB2 ALA A 107 -6.769 -23.320 -10.606 1.00 50.15 H new ATOM 0 HB3 ALA A 107 -6.792 -24.119 -12.196 1.00 50.15 H new ATOM 1526 N ALA A 108 -5.073 -26.453 -12.683 1.00 71.20 N ATOM 1527 CA ALA A 108 -5.017 -27.713 -13.414 1.00 31.35 C ATOM 1528 C ALA A 108 -4.014 -28.671 -12.780 1.00 20.22 C ATOM 1529 O ALA A 108 -4.308 -29.849 -12.574 1.00 55.22 O ATOM 1530 CB ALA A 108 -4.662 -27.463 -14.872 1.00 10.34 C ATOM 0 H ALA A 108 -4.798 -25.636 -13.229 1.00 71.20 H new ATOM 0 HA ALA A 108 -6.003 -28.176 -13.366 1.00 31.35 H new ATOM 0 HB1 ALA A 108 -4.624 -28.413 -15.405 1.00 10.34 H new ATOM 0 HB2 ALA A 108 -5.418 -26.822 -15.326 1.00 10.34 H new ATOM 0 HB3 ALA A 108 -3.689 -26.974 -14.931 1.00 10.34 H new ATOM 1536 N LYS A 109 -2.827 -28.159 -12.473 1.00 20.24 N ATOM 1537 CA LYS A 109 -1.779 -28.968 -11.862 1.00 32.35 C ATOM 1538 C LYS A 109 -2.195 -29.437 -10.471 1.00 30.11 C ATOM 1539 O LYS A 109 -2.227 -30.636 -10.192 1.00 52.11 O ATOM 1540 CB LYS A 109 -0.476 -28.171 -11.774 1.00 51.30 C ATOM 1541 CG LYS A 109 -0.015 -27.611 -13.108 1.00 42.15 C ATOM 1542 CD LYS A 109 1.336 -28.177 -13.514 1.00 75.41 C ATOM 1543 CE LYS A 109 1.189 -29.521 -14.212 1.00 4.10 C ATOM 1544 NZ LYS A 109 2.390 -30.380 -14.019 1.00 4.13 N ATOM 0 H LYS A 109 -2.567 -27.187 -12.637 1.00 20.24 H new ATOM 0 HA LYS A 109 -1.620 -29.845 -12.490 1.00 32.35 H new ATOM 0 HB2 LYS A 109 -0.609 -27.349 -11.071 1.00 51.30 H new ATOM 0 HB3 LYS A 109 0.306 -28.813 -11.369 1.00 51.30 H new ATOM 0 HG2 LYS A 109 -0.753 -27.843 -13.876 1.00 42.15 H new ATOM 0 HG3 LYS A 109 0.049 -26.525 -13.045 1.00 42.15 H new ATOM 0 HD2 LYS A 109 1.842 -27.475 -14.177 1.00 75.41 H new ATOM 0 HD3 LYS A 109 1.964 -28.291 -12.631 1.00 75.41 H new ATOM 0 HE2 LYS A 109 0.309 -30.036 -13.827 1.00 4.10 H new ATOM 0 HE3 LYS A 109 1.024 -29.361 -15.278 1.00 4.10 H new ATOM 0 HZ1 LYS A 109 2.251 -31.286 -14.509 1.00 4.13 H new ATOM 0 HZ2 LYS A 109 3.226 -29.900 -14.409 1.00 4.13 H new ATOM 0 HZ3 LYS A 109 2.533 -30.554 -13.004 1.00 4.13 H new ATOM 1558 N LYS A 110 -2.514 -28.484 -9.601 1.00 73.53 N ATOM 1559 CA LYS A 110 -2.931 -28.799 -8.240 1.00 12.00 C ATOM 1560 C LYS A 110 -4.437 -29.033 -8.172 1.00 40.04 C ATOM 1561 O LYS A 110 -4.933 -29.685 -7.253 1.00 71.03 O ATOM 1562 CB LYS A 110 -2.537 -27.666 -7.289 1.00 73.24 C ATOM 1563 CG LYS A 110 -1.160 -27.840 -6.674 1.00 24.12 C ATOM 1564 CD LYS A 110 -0.093 -27.121 -7.482 1.00 42.22 C ATOM 1565 CE LYS A 110 1.306 -27.543 -7.059 1.00 50.42 C ATOM 1566 NZ LYS A 110 1.822 -28.666 -7.890 1.00 54.32 N ATOM 0 H LYS A 110 -2.492 -27.487 -9.815 1.00 73.53 H new ATOM 0 HA LYS A 110 -2.425 -29.715 -7.935 1.00 12.00 H new ATOM 0 HB2 LYS A 110 -2.567 -26.721 -7.831 1.00 73.24 H new ATOM 0 HB3 LYS A 110 -3.276 -27.599 -6.491 1.00 73.24 H new ATOM 0 HG2 LYS A 110 -1.165 -27.456 -5.654 1.00 24.12 H new ATOM 0 HG3 LYS A 110 -0.919 -28.901 -6.614 1.00 24.12 H new ATOM 0 HD2 LYS A 110 -0.233 -27.333 -8.542 1.00 42.22 H new ATOM 0 HD3 LYS A 110 -0.203 -26.044 -7.355 1.00 42.22 H new ATOM 0 HE2 LYS A 110 1.982 -26.692 -7.139 1.00 50.42 H new ATOM 0 HE3 LYS A 110 1.294 -27.843 -6.011 1.00 50.42 H new ATOM 0 HZ1 LYS A 110 2.777 -28.924 -7.570 1.00 54.32 H new ATOM 0 HZ2 LYS A 110 1.191 -29.487 -7.794 1.00 54.32 H new ATOM 0 HZ3 LYS A 110 1.858 -28.372 -8.887 1.00 54.32 H new