USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 924 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 37 HIS : no HD1:sc= 1.09 K(o=2,f=-7.6!) USER MOD Set 1.2: A 85 SER OG : rot -90:sc= 0.932 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -155:sc= 0.556 (180deg=-2.2!) USER MOD Set 2.2: A 92 GLN : amide:sc= 0.829 K(o=1.4,f=-6.9!) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.5!) USER MOD Set 3.2: A 27 TYR OH : rot -145:sc= 0.0311 USER MOD Set 4.1: A 18 LYS NZ :NH3+ -146:sc= 1.5 (180deg=1.06) USER MOD Set 4.2: A 73 GLN : amide:sc= -1.44! C(o=0.061!,f=-9.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= 1.42 (180deg=-1.31!) USER MOD Single : A 29 CYS SG : rot -71:sc= 1.46 USER MOD Single : A 40 HIS : no HE2:sc= 0.605 K(o=0.6,f=-2.8!) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 1.41 (180deg=1.34) USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 0.87 (180deg=-0.443) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -72:sc= 1.47 USER MOD Single : A 56 SER OG : rot -66:sc= 1.29 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 35:sc= -0.651 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 63 LYS NZ :NH3+ -101:sc= 0.0524 (180deg=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.02) USER MOD Single : A 71 TYR OH : rot -117:sc= -1.07 USER MOD Single : A 75 ASN : amide:sc= -0.0211 K(o=-0.021,f=-3.7!) USER MOD Single : A 77 LYS NZ :NH3+ -119:sc= -0.0454 (180deg=-0.0858) USER MOD Single : A 81 THR OG1 : rot 70:sc= 1.33 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : A 93 ASN : amide:sc= 0.35 K(o=0.35,f=-4.7!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= 2.04 (180deg=0.878) USER MOD Single : A 100 THR OG1 : rot 33:sc= 0.988 USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.0903!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= 3.52 (180deg=2.22) USER MOD Single : A 113 HIS : no HE2:sc= 0.138 K(o=0.14,f=-6!) USER MOD Single : A 115 LYS NZ :NH3+ 154:sc= 2.3 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -17.985 -2.926 8.515 1.00 0.00 N ATOM 32 CA ASP A 12 -18.688 -3.593 7.374 1.00 0.00 C ATOM 33 C ASP A 12 -18.241 -3.048 5.998 1.00 0.00 C ATOM 34 O ASP A 12 -18.350 -3.706 4.965 1.00 0.00 O ATOM 35 CB ASP A 12 -20.216 -3.419 7.546 1.00 0.00 C ATOM 36 CG ASP A 12 -21.037 -3.935 6.370 1.00 0.00 C ATOM 37 OD1 ASP A 12 -21.055 -5.159 6.142 1.00 0.00 O1- ATOM 38 OD2 ASP A 12 -21.654 -3.103 5.659 1.00 0.00 O ATOM 0 HA ASP A 12 -18.423 -4.650 7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.531 -3.939 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.436 -2.362 7.693 1.00 0.00 H new ATOM 43 N LEU A 13 -17.742 -1.865 6.003 1.00 0.00 N ATOM 44 CA LEU A 13 -17.296 -1.207 4.806 1.00 0.00 C ATOM 45 C LEU A 13 -15.837 -1.474 4.544 1.00 0.00 C ATOM 46 O LEU A 13 -15.345 -1.114 3.514 1.00 0.00 O ATOM 47 CB LEU A 13 -17.539 0.322 4.844 1.00 0.00 C ATOM 48 CG LEU A 13 -18.988 0.816 4.991 1.00 0.00 C ATOM 49 CD1 LEU A 13 -19.527 0.607 6.404 1.00 0.00 C ATOM 50 CD2 LEU A 13 -19.107 2.274 4.589 1.00 0.00 C ATOM 0 H LEU A 13 -17.625 -1.308 6.849 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.891 -1.625 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -16.960 0.732 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.131 0.748 3.927 1.00 0.00 H new ATOM 0 HG LEU A 13 -19.598 0.215 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -20.553 0.971 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -19.505 -0.455 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -18.908 1.156 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -20.141 2.599 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -18.464 2.881 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -18.801 2.391 3.549 1.00 0.00 H new ATOM 62 N THR A 14 -15.125 -2.010 5.509 1.00 0.00 N ATOM 63 CA THR A 14 -13.703 -2.085 5.357 1.00 0.00 C ATOM 64 C THR A 14 -13.087 -3.383 4.742 1.00 0.00 C ATOM 65 O THR A 14 -12.023 -3.296 4.130 1.00 0.00 O ATOM 66 CB THR A 14 -12.938 -1.631 6.590 1.00 0.00 C ATOM 67 OG1 THR A 14 -13.652 -0.549 7.206 1.00 0.00 O ATOM 68 CG2 THR A 14 -11.627 -1.073 6.113 1.00 0.00 C ATOM 0 H THR A 14 -15.499 -2.388 6.380 1.00 0.00 H new ATOM 0 HA THR A 14 -13.557 -1.355 4.560 1.00 0.00 H new ATOM 0 HB THR A 14 -12.810 -2.457 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.168 -0.250 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.043 -0.734 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.074 -1.847 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.811 -0.233 5.443 1.00 0.00 H new ATOM 76 N GLU A 15 -13.714 -4.572 4.887 1.00 0.00 N ATOM 77 CA GLU A 15 -13.067 -5.852 4.413 1.00 0.00 C ATOM 78 C GLU A 15 -12.678 -5.773 2.923 1.00 0.00 C ATOM 79 O GLU A 15 -11.697 -6.381 2.463 1.00 0.00 O ATOM 80 CB GLU A 15 -13.949 -7.099 4.651 1.00 0.00 C ATOM 81 CG GLU A 15 -14.508 -7.240 6.065 1.00 0.00 C ATOM 82 CD GLU A 15 -15.881 -6.627 6.197 1.00 0.00 C ATOM 83 OE1 GLU A 15 -16.063 -5.459 5.810 1.00 0.00 O ATOM 84 OE2 GLU A 15 -16.818 -7.329 6.633 1.00 0.00 O1- ATOM 0 H GLU A 15 -14.634 -4.689 5.311 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.165 -5.963 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.782 -7.074 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.363 -7.988 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.556 -8.296 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.829 -6.763 6.772 1.00 0.00 H new ATOM 91 N VAL A 16 -13.434 -4.978 2.215 1.00 0.00 N ATOM 92 CA VAL A 16 -13.246 -4.669 0.805 1.00 0.00 C ATOM 93 C VAL A 16 -11.874 -4.067 0.485 1.00 0.00 C ATOM 94 O VAL A 16 -11.365 -4.232 -0.620 1.00 0.00 O ATOM 95 CB VAL A 16 -14.313 -3.723 0.320 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.672 -4.399 0.336 1.00 0.00 C ATOM 97 CG2 VAL A 16 -14.288 -2.545 1.212 1.00 0.00 C ATOM 0 H VAL A 16 -14.240 -4.500 2.617 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.315 -5.626 0.287 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.126 -3.419 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.430 -3.700 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.652 -5.273 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.912 -4.710 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.049 -1.832 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.490 -2.860 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.306 -2.073 1.165 1.00 0.00 H new ATOM 107 N LYS A 17 -11.287 -3.377 1.473 1.00 0.00 N ATOM 108 CA LYS A 17 -10.034 -2.625 1.343 1.00 0.00 C ATOM 109 C LYS A 17 -8.901 -3.483 0.779 1.00 0.00 C ATOM 110 O LYS A 17 -7.935 -2.959 0.247 1.00 0.00 O ATOM 111 CB LYS A 17 -9.629 -2.050 2.718 1.00 0.00 C ATOM 112 CG LYS A 17 -8.396 -1.148 2.730 1.00 0.00 C ATOM 113 CD LYS A 17 -8.070 -0.685 4.145 1.00 0.00 C ATOM 114 CE LYS A 17 -6.918 0.310 4.159 1.00 0.00 C ATOM 115 NZ LYS A 17 -6.550 0.709 5.531 1.00 0.00 N1+ ATOM 0 H LYS A 17 -11.684 -3.326 2.411 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.207 -1.813 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.472 -1.485 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.453 -2.882 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.544 -1.686 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.569 -0.282 2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.953 -0.226 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.814 -1.547 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.052 -0.131 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.196 1.195 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.145 1.667 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.397 0.700 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.848 0.042 5.910 1.00 0.00 H new ATOM 129 N LYS A 18 -9.039 -4.792 0.871 1.00 0.00 N ATOM 130 CA LYS A 18 -8.018 -5.677 0.389 1.00 0.00 C ATOM 131 C LYS A 18 -7.882 -5.581 -1.132 1.00 0.00 C ATOM 132 O LYS A 18 -6.787 -5.727 -1.652 1.00 0.00 O ATOM 133 CB LYS A 18 -8.260 -7.116 0.841 1.00 0.00 C ATOM 134 CG LYS A 18 -6.961 -7.840 1.109 1.00 0.00 C ATOM 135 CD LYS A 18 -6.262 -7.205 2.313 1.00 0.00 C ATOM 136 CE LYS A 18 -4.809 -7.577 2.395 1.00 0.00 C ATOM 137 NZ LYS A 18 -4.592 -9.031 2.576 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.851 -5.257 1.276 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.072 -5.359 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.871 -7.117 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.823 -7.649 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.154 -8.895 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.316 -7.789 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.353 -6.121 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.766 -7.517 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.304 -7.251 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.349 -7.041 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.751 -9.185 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.423 -9.451 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.449 -9.479 1.648 1.00 0.00 H new ATOM 151 N ASP A 19 -8.990 -5.294 -1.817 1.00 0.00 N ATOM 152 CA ASP A 19 -8.968 -5.079 -3.276 1.00 0.00 C ATOM 153 C ASP A 19 -8.338 -3.741 -3.560 1.00 0.00 C ATOM 154 O ASP A 19 -7.469 -3.611 -4.429 1.00 0.00 O ATOM 155 CB ASP A 19 -10.381 -5.101 -3.873 1.00 0.00 C ATOM 156 CG ASP A 19 -10.394 -4.680 -5.347 1.00 0.00 C ATOM 157 OD1 ASP A 19 -10.212 -5.547 -6.212 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -10.571 -3.467 -5.627 1.00 0.00 O ATOM 0 H ASP A 19 -9.913 -5.204 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.394 -5.886 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.797 -6.104 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.026 -4.434 -3.301 1.00 0.00 H new ATOM 163 N ALA A 20 -8.747 -2.751 -2.761 1.00 0.00 N ATOM 164 CA ALA A 20 -8.249 -1.393 -2.875 1.00 0.00 C ATOM 165 C ALA A 20 -6.746 -1.363 -2.783 1.00 0.00 C ATOM 166 O ALA A 20 -6.119 -0.678 -3.520 1.00 0.00 O ATOM 167 CB ALA A 20 -8.852 -0.485 -1.811 1.00 0.00 C ATOM 0 H ALA A 20 -9.434 -2.877 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.551 -1.020 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.456 0.524 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.936 -0.465 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.596 -0.864 -0.822 1.00 0.00 H new ATOM 173 N LEU A 21 -6.181 -2.155 -1.893 1.00 0.00 N ATOM 174 CA LEU A 21 -4.732 -2.196 -1.715 1.00 0.00 C ATOM 175 C LEU A 21 -4.032 -2.739 -2.972 1.00 0.00 C ATOM 176 O LEU A 21 -2.941 -2.281 -3.340 1.00 0.00 O ATOM 177 CB LEU A 21 -4.360 -3.048 -0.495 1.00 0.00 C ATOM 178 CG LEU A 21 -4.972 -2.618 0.845 1.00 0.00 C ATOM 179 CD1 LEU A 21 -4.451 -3.477 1.985 1.00 0.00 C ATOM 180 CD2 LEU A 21 -4.735 -1.139 1.117 1.00 0.00 C ATOM 0 H LEU A 21 -6.699 -2.782 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.390 -1.174 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.658 -4.078 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.275 -3.044 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.049 -2.769 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.901 -3.150 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.710 -4.520 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.367 -3.378 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.182 -0.869 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.663 -0.942 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.190 -0.546 0.324 1.00 0.00 H new ATOM 192 N GLU A 22 -4.685 -3.666 -3.644 1.00 0.00 N ATOM 193 CA GLU A 22 -4.136 -4.283 -4.834 1.00 0.00 C ATOM 194 C GLU A 22 -4.193 -3.326 -6.001 1.00 0.00 C ATOM 195 O GLU A 22 -3.196 -3.131 -6.713 1.00 0.00 O ATOM 196 CB GLU A 22 -4.877 -5.578 -5.169 1.00 0.00 C ATOM 197 CG GLU A 22 -4.786 -6.621 -4.076 1.00 0.00 C ATOM 198 CD GLU A 22 -3.361 -6.935 -3.730 1.00 0.00 C ATOM 199 OE1 GLU A 22 -2.772 -7.823 -4.355 1.00 0.00 O ATOM 200 OE2 GLU A 22 -2.787 -6.265 -2.829 1.00 0.00 O1- ATOM 0 H GLU A 22 -5.608 -4.012 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.093 -4.529 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.926 -5.350 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.471 -5.992 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.307 -6.264 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.292 -7.531 -4.398 1.00 0.00 H new ATOM 207 N ASN A 23 -5.342 -2.693 -6.178 1.00 0.00 N ATOM 208 CA ASN A 23 -5.518 -1.736 -7.262 1.00 0.00 C ATOM 209 C ASN A 23 -4.681 -0.479 -6.994 1.00 0.00 C ATOM 210 O ASN A 23 -4.212 0.198 -7.920 1.00 0.00 O ATOM 211 CB ASN A 23 -7.042 -1.441 -7.539 1.00 0.00 C ATOM 212 CG ASN A 23 -7.810 -0.633 -6.470 1.00 0.00 C ATOM 213 OD1 ASN A 23 -7.311 0.342 -5.906 1.00 0.00 O ATOM 214 ND2 ASN A 23 -9.004 -1.080 -6.138 1.00 0.00 N ATOM 0 H ASN A 23 -6.164 -2.823 -5.588 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.144 -2.172 -8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.116 -0.905 -8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.552 -2.395 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.535 -0.617 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.397 -1.889 -6.619 1.00 0.00 H new ATOM 221 N LEU A 24 -4.438 -0.231 -5.720 1.00 0.00 N ATOM 222 CA LEU A 24 -3.627 0.868 -5.252 1.00 0.00 C ATOM 223 C LEU A 24 -2.183 0.645 -5.615 1.00 0.00 C ATOM 224 O LEU A 24 -1.526 1.549 -6.088 1.00 0.00 O ATOM 225 CB LEU A 24 -3.833 1.040 -3.745 1.00 0.00 C ATOM 226 CG LEU A 24 -3.153 2.185 -3.019 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.066 2.625 -1.901 1.00 0.00 C ATOM 228 CD2 LEU A 24 -1.824 1.732 -2.432 1.00 0.00 C ATOM 0 H LEU A 24 -4.811 -0.807 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.932 1.794 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.905 1.136 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.514 0.115 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.960 3.002 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.605 3.450 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.019 2.952 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.235 1.791 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.351 2.567 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.996 0.919 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.172 1.385 -3.233 1.00 0.00 H new ATOM 240 N ARG A 25 -1.705 -0.579 -5.452 1.00 0.00 N ATOM 241 CA ARG A 25 -0.326 -0.920 -5.805 1.00 0.00 C ATOM 242 C ARG A 25 -0.070 -0.654 -7.299 1.00 0.00 C ATOM 243 O ARG A 25 1.055 -0.419 -7.712 1.00 0.00 O ATOM 244 CB ARG A 25 -0.015 -2.378 -5.426 1.00 0.00 C ATOM 245 CG ARG A 25 1.425 -2.815 -5.698 1.00 0.00 C ATOM 246 CD ARG A 25 1.713 -4.191 -5.118 1.00 0.00 C ATOM 247 NE ARG A 25 0.889 -5.247 -5.709 1.00 0.00 N ATOM 248 CZ ARG A 25 -0.090 -5.912 -5.066 1.00 0.00 C ATOM 249 NH1 ARG A 25 -0.400 -5.609 -3.805 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 -0.736 -6.889 -5.679 1.00 0.00 N ATOM 0 H ARG A 25 -2.248 -1.357 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 25 0.350 -0.282 -5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.229 -2.517 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.690 -3.034 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.605 -2.828 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.114 -2.087 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.765 -4.431 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.545 -4.167 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 25 1.070 -5.498 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.106 -4.868 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.143 -6.118 -3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.493 -7.138 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.478 -7.393 -5.193 1.00 0.00 H new ATOM 264 N VAL A 26 -1.135 -0.658 -8.081 1.00 0.00 N ATOM 265 CA VAL A 26 -1.051 -0.361 -9.490 1.00 0.00 C ATOM 266 C VAL A 26 -0.880 1.162 -9.718 1.00 0.00 C ATOM 267 O VAL A 26 0.162 1.601 -10.183 1.00 0.00 O ATOM 268 CB VAL A 26 -2.295 -0.881 -10.266 1.00 0.00 C ATOM 269 CG1 VAL A 26 -2.173 -0.597 -11.759 1.00 0.00 C ATOM 270 CG2 VAL A 26 -2.497 -2.374 -10.025 1.00 0.00 C ATOM 0 H VAL A 26 -2.078 -0.867 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.175 -0.880 -9.878 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.167 -0.346 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.057 -0.972 -12.274 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.088 0.478 -11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.286 -1.093 -12.153 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.372 -2.717 -10.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.617 -2.920 -10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.646 -2.554 -8.960 1.00 0.00 H new ATOM 280 N TYR A 27 -1.877 1.963 -9.331 1.00 0.00 N ATOM 281 CA TYR A 27 -1.832 3.420 -9.611 1.00 0.00 C ATOM 282 C TYR A 27 -0.849 4.193 -8.731 1.00 0.00 C ATOM 283 O TYR A 27 -0.268 5.187 -9.149 1.00 0.00 O ATOM 284 CB TYR A 27 -3.247 4.092 -9.560 1.00 0.00 C ATOM 285 CG TYR A 27 -4.077 3.882 -8.273 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.666 4.379 -7.022 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.277 3.184 -8.325 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.432 4.169 -5.877 1.00 0.00 C ATOM 289 CE2 TYR A 27 -6.042 2.979 -7.194 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.619 3.463 -5.978 1.00 0.00 C ATOM 291 OH TYR A 27 -6.386 3.247 -4.861 1.00 0.00 O ATOM 0 H TYR A 27 -2.710 1.648 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.459 3.481 -10.634 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.119 5.164 -9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.829 3.720 -10.403 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.741 4.932 -6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.619 2.793 -9.272 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.104 4.552 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.974 2.438 -7.264 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.815 2.368 -4.924 1.00 0.00 H new ATOM 301 N LEU A 28 -0.653 3.721 -7.546 1.00 0.00 N ATOM 302 CA LEU A 28 0.081 4.449 -6.551 1.00 0.00 C ATOM 303 C LEU A 28 1.599 4.133 -6.586 1.00 0.00 C ATOM 304 O LEU A 28 2.391 4.882 -6.041 1.00 0.00 O ATOM 305 CB LEU A 28 -0.648 4.223 -5.180 1.00 0.00 C ATOM 306 CG LEU A 28 -0.184 4.901 -3.891 1.00 0.00 C ATOM 307 CD1 LEU A 28 0.898 4.106 -3.238 1.00 0.00 C ATOM 308 CD2 LEU A 28 0.253 6.328 -4.142 1.00 0.00 C ATOM 0 H LEU A 28 -0.998 2.814 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 28 0.078 5.521 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.689 4.509 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.636 3.149 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.032 4.941 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.214 4.605 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.524 3.111 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.747 4.021 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.576 6.780 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.079 6.336 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.582 6.898 -4.550 1.00 0.00 H new ATOM 320 N CYS A 29 2.001 3.081 -7.319 1.00 0.00 N ATOM 321 CA CYS A 29 3.436 2.694 -7.413 1.00 0.00 C ATOM 322 C CYS A 29 4.286 3.799 -8.048 1.00 0.00 C ATOM 323 O CYS A 29 5.476 3.900 -7.779 1.00 0.00 O ATOM 324 CB CYS A 29 3.612 1.387 -8.210 1.00 0.00 C ATOM 325 SG CYS A 29 3.126 1.475 -9.958 1.00 0.00 S ATOM 0 H CYS A 29 1.369 2.484 -7.852 1.00 0.00 H new ATOM 0 HA CYS A 29 3.782 2.538 -6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.658 1.085 -8.155 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.028 0.604 -7.726 1.00 0.00 H new ATOM 0 HG CYS A 29 1.831 1.550 -10.045 1.00 0.00 H new ATOM 331 N GLU A 30 3.652 4.653 -8.847 1.00 0.00 N ATOM 332 CA GLU A 30 4.363 5.712 -9.548 1.00 0.00 C ATOM 333 C GLU A 30 4.608 6.907 -8.602 1.00 0.00 C ATOM 334 O GLU A 30 5.330 7.846 -8.924 1.00 0.00 O ATOM 335 CB GLU A 30 3.562 6.156 -10.789 1.00 0.00 C ATOM 336 CG GLU A 30 4.403 6.864 -11.854 1.00 0.00 C ATOM 337 CD GLU A 30 5.392 5.917 -12.521 1.00 0.00 C ATOM 338 OE1 GLU A 30 6.177 5.260 -11.822 1.00 0.00 O ATOM 339 OE2 GLU A 30 5.379 5.782 -13.749 1.00 0.00 O1- ATOM 0 H GLU A 30 2.648 4.630 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 30 5.330 5.331 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.090 5.281 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.760 6.823 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.745 7.293 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.945 7.692 -11.397 1.00 0.00 H new ATOM 346 N LYS A 31 3.991 6.867 -7.437 1.00 0.00 N ATOM 347 CA LYS A 31 4.174 7.916 -6.457 1.00 0.00 C ATOM 348 C LYS A 31 4.871 7.430 -5.209 1.00 0.00 C ATOM 349 O LYS A 31 5.081 8.188 -4.269 1.00 0.00 O ATOM 350 CB LYS A 31 2.872 8.655 -6.123 1.00 0.00 C ATOM 351 CG LYS A 31 2.487 9.718 -7.128 1.00 0.00 C ATOM 352 CD LYS A 31 3.607 10.724 -7.297 1.00 0.00 C ATOM 353 CE LYS A 31 3.079 12.038 -7.816 1.00 0.00 C ATOM 354 NZ LYS A 31 2.251 12.705 -6.800 1.00 0.00 N1+ ATOM 0 H LYS A 31 3.360 6.120 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 31 4.835 8.643 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.063 7.928 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.972 9.118 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.260 9.254 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.581 10.227 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.107 10.881 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.354 10.330 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.911 12.685 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.490 11.868 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.577 13.344 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.729 11.990 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.861 13.253 -6.160 1.00 0.00 H new ATOM 368 N ILE A 32 5.258 6.190 -5.205 1.00 0.00 N ATOM 369 CA ILE A 32 5.963 5.664 -4.084 1.00 0.00 C ATOM 370 C ILE A 32 7.126 4.829 -4.540 1.00 0.00 C ATOM 371 O ILE A 32 6.979 3.683 -4.973 1.00 0.00 O ATOM 372 CB ILE A 32 5.048 4.867 -3.088 1.00 0.00 C ATOM 373 CG1 ILE A 32 5.868 4.312 -1.903 1.00 0.00 C ATOM 374 CG2 ILE A 32 4.287 3.746 -3.793 1.00 0.00 C ATOM 375 CD1 ILE A 32 5.036 3.582 -0.868 1.00 0.00 C ATOM 0 H ILE A 32 5.097 5.528 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 32 6.337 6.520 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 32 4.311 5.568 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.629 3.633 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.391 5.136 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.665 3.218 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.656 4.170 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.997 3.049 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.684 3.222 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.292 4.262 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.533 2.736 -1.336 1.00 0.00 H new ATOM 387 N ILE A 33 8.289 5.394 -4.513 1.00 0.00 N ATOM 388 CA ILE A 33 9.394 4.583 -4.820 1.00 0.00 C ATOM 389 C ILE A 33 9.790 3.925 -3.518 1.00 0.00 C ATOM 390 O ILE A 33 10.095 4.604 -2.536 1.00 0.00 O ATOM 391 CB ILE A 33 10.577 5.435 -5.374 1.00 0.00 C ATOM 392 CG1 ILE A 33 10.145 6.244 -6.620 1.00 0.00 C ATOM 393 CG2 ILE A 33 11.783 4.562 -5.695 1.00 0.00 C ATOM 394 CD1 ILE A 33 9.651 5.402 -7.789 1.00 0.00 C ATOM 0 H ILE A 33 8.484 6.370 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 33 9.146 3.852 -5.590 1.00 0.00 H new ATOM 0 HB ILE A 33 10.867 6.139 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.355 6.937 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.989 6.846 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.591 5.185 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.115 4.054 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.507 3.822 -6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.371 6.055 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.444 4.728 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.784 4.820 -7.477 1.00 0.00 H new ATOM 406 N ALA A 34 9.829 2.622 -3.522 1.00 0.00 N ATOM 407 CA ALA A 34 10.197 1.870 -2.342 1.00 0.00 C ATOM 408 C ALA A 34 11.662 1.820 -2.216 1.00 0.00 C ATOM 409 O ALA A 34 12.202 1.868 -1.144 1.00 0.00 O ATOM 410 CB ALA A 34 9.668 0.479 -2.417 1.00 0.00 C ATOM 0 H ALA A 34 9.609 2.048 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 34 9.767 2.368 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.956 -0.069 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.581 0.507 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.079 -0.020 -3.295 1.00 0.00 H new ATOM 416 N GLU A 35 12.268 1.759 -3.358 1.00 0.00 N ATOM 417 CA GLU A 35 13.677 1.613 -3.543 1.00 0.00 C ATOM 418 C GLU A 35 14.485 2.671 -2.742 1.00 0.00 C ATOM 419 O GLU A 35 15.383 2.353 -1.980 1.00 0.00 O ATOM 420 CB GLU A 35 13.924 1.715 -5.035 1.00 0.00 C ATOM 421 CG GLU A 35 15.390 1.578 -5.438 1.00 0.00 C ATOM 422 CD GLU A 35 16.023 0.269 -5.019 1.00 0.00 C ATOM 423 OE1 GLU A 35 16.419 0.138 -3.867 1.00 0.00 O1- ATOM 424 OE2 GLU A 35 16.152 -0.614 -5.871 1.00 0.00 O ATOM 0 H GLU A 35 11.761 1.813 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 35 14.020 0.652 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.346 0.942 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.550 2.676 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.470 1.678 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.955 2.400 -4.999 1.00 0.00 H new ATOM 431 N ARG A 36 14.141 3.926 -2.888 1.00 0.00 N ATOM 432 CA ARG A 36 14.818 4.948 -2.116 1.00 0.00 C ATOM 433 C ARG A 36 14.176 5.201 -0.774 1.00 0.00 C ATOM 434 O ARG A 36 14.703 5.920 0.084 1.00 0.00 O ATOM 435 CB ARG A 36 15.186 6.208 -2.893 1.00 0.00 C ATOM 436 CG ARG A 36 16.298 5.969 -3.932 1.00 0.00 C ATOM 437 CD ARG A 36 17.486 5.168 -3.331 1.00 0.00 C ATOM 438 NE ARG A 36 18.004 5.759 -2.069 1.00 0.00 N ATOM 439 CZ ARG A 36 17.989 5.136 -0.853 1.00 0.00 C ATOM 440 NH1 ARG A 36 17.566 3.872 -0.731 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 18.414 5.779 0.232 1.00 0.00 N ATOM 0 H ARG A 36 13.414 4.264 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 36 15.793 4.517 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.299 6.589 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.509 6.979 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.889 5.427 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.658 6.927 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.168 4.143 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 36 18.293 5.121 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 36 18.399 6.698 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.248 3.359 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.561 3.422 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.752 6.739 0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.402 5.312 1.139 1.00 0.00 H new ATOM 455 N HIS A 37 13.031 4.628 -0.594 1.00 0.00 N ATOM 456 CA HIS A 37 12.335 4.715 0.656 1.00 0.00 C ATOM 457 C HIS A 37 12.837 3.570 1.571 1.00 0.00 C ATOM 458 O HIS A 37 12.458 3.504 2.702 1.00 0.00 O ATOM 459 CB HIS A 37 10.814 4.615 0.441 1.00 0.00 C ATOM 460 CG HIS A 37 9.975 5.268 1.510 1.00 0.00 C ATOM 461 ND1 HIS A 37 9.682 4.683 2.719 1.00 0.00 N ATOM 462 CD2 HIS A 37 9.355 6.480 1.528 1.00 0.00 C ATOM 463 CE1 HIS A 37 8.922 5.495 3.434 1.00 0.00 C ATOM 464 NE2 HIS A 37 8.712 6.590 2.735 1.00 0.00 N ATOM 0 H HIS A 37 12.547 4.084 -1.309 1.00 0.00 H new ATOM 0 HA HIS A 37 12.534 5.679 1.125 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.568 5.067 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.540 3.562 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.367 7.217 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.539 5.294 4.423 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.160 7.391 3.041 1.00 0.00 H new ATOM 473 N PHE A 38 13.673 2.677 1.003 1.00 0.00 N ATOM 474 CA PHE A 38 14.254 1.458 1.643 1.00 0.00 C ATOM 475 C PHE A 38 14.687 1.656 3.099 1.00 0.00 C ATOM 476 O PHE A 38 14.066 1.109 4.025 1.00 0.00 O ATOM 477 CB PHE A 38 15.443 0.955 0.792 1.00 0.00 C ATOM 478 CG PHE A 38 16.219 -0.209 1.363 1.00 0.00 C ATOM 479 CD1 PHE A 38 15.705 -1.489 1.337 1.00 0.00 C ATOM 480 CD2 PHE A 38 17.481 -0.012 1.909 1.00 0.00 C ATOM 481 CE1 PHE A 38 16.426 -2.549 1.843 1.00 0.00 C ATOM 482 CE2 PHE A 38 18.204 -1.068 2.421 1.00 0.00 C ATOM 483 CZ PHE A 38 17.676 -2.338 2.387 1.00 0.00 C ATOM 0 H PHE A 38 13.983 2.783 0.037 1.00 0.00 H new ATOM 0 HA PHE A 38 13.458 0.714 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.066 0.668 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 38 16.132 1.786 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.726 -1.662 0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 38 17.902 0.982 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 38 16.012 -3.546 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.182 -0.899 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 38 18.239 -3.169 2.786 1.00 0.00 H new ATOM 493 N ASP A 39 15.729 2.433 3.302 1.00 0.00 N ATOM 494 CA ASP A 39 16.274 2.714 4.638 1.00 0.00 C ATOM 495 C ASP A 39 15.253 3.475 5.459 1.00 0.00 C ATOM 496 O ASP A 39 15.093 3.263 6.656 1.00 0.00 O ATOM 497 CB ASP A 39 17.591 3.508 4.510 1.00 0.00 C ATOM 498 CG ASP A 39 17.457 4.742 3.627 1.00 0.00 C ATOM 499 OD1 ASP A 39 17.391 4.578 2.371 1.00 0.00 O1- ATOM 500 OD2 ASP A 39 17.367 5.860 4.148 1.00 0.00 O ATOM 0 H ASP A 39 16.235 2.897 2.547 1.00 0.00 H new ATOM 0 HA ASP A 39 16.491 1.776 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.924 3.812 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.363 2.857 4.101 1.00 0.00 H new ATOM 505 N HIS A 40 14.484 4.248 4.759 1.00 0.00 N ATOM 506 CA HIS A 40 13.447 5.088 5.308 1.00 0.00 C ATOM 507 C HIS A 40 12.237 4.260 5.785 1.00 0.00 C ATOM 508 O HIS A 40 11.374 4.761 6.451 1.00 0.00 O ATOM 509 CB HIS A 40 13.056 6.197 4.306 1.00 0.00 C ATOM 510 CG HIS A 40 14.233 7.065 3.926 1.00 0.00 C ATOM 511 ND1 HIS A 40 14.742 7.157 2.640 1.00 0.00 N ATOM 512 CD2 HIS A 40 15.027 7.848 4.692 1.00 0.00 C ATOM 513 CE1 HIS A 40 15.792 7.950 2.649 1.00 0.00 C ATOM 514 NE2 HIS A 40 15.993 8.379 3.878 1.00 0.00 N ATOM 0 H HIS A 40 14.559 4.320 3.744 1.00 0.00 H new ATOM 0 HA HIS A 40 13.841 5.583 6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.638 5.742 3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.274 6.819 4.742 1.00 0.00 H new ATOM 0 HD1 HIS A 40 14.363 6.686 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.919 8.023 5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.392 8.207 1.788 1.00 0.00 H new ATOM 523 N LEU A 41 12.152 3.008 5.348 1.00 0.00 N ATOM 524 CA LEU A 41 11.083 2.085 5.758 1.00 0.00 C ATOM 525 C LEU A 41 11.316 1.560 7.147 1.00 0.00 C ATOM 526 O LEU A 41 10.392 1.049 7.804 1.00 0.00 O ATOM 527 CB LEU A 41 10.985 0.931 4.802 1.00 0.00 C ATOM 528 CG LEU A 41 10.466 1.266 3.429 1.00 0.00 C ATOM 529 CD1 LEU A 41 10.734 0.122 2.528 1.00 0.00 C ATOM 530 CD2 LEU A 41 8.983 1.523 3.490 1.00 0.00 C ATOM 0 H LEU A 41 12.821 2.597 4.697 1.00 0.00 H new ATOM 0 HA LEU A 41 10.148 2.646 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.974 0.484 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.337 0.173 5.241 1.00 0.00 H new ATOM 0 HG LEU A 41 10.964 2.161 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.363 0.351 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.807 -0.062 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.229 -0.766 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.614 1.765 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.474 0.632 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.786 2.358 4.162 1.00 0.00 H new ATOM 542 N ARG A 42 12.539 1.728 7.633 1.00 0.00 N ATOM 543 CA ARG A 42 12.883 1.323 8.985 1.00 0.00 C ATOM 544 C ARG A 42 12.254 2.288 9.991 1.00 0.00 C ATOM 545 O ARG A 42 12.336 2.101 11.212 1.00 0.00 O ATOM 546 CB ARG A 42 14.409 1.165 9.183 1.00 0.00 C ATOM 547 CG ARG A 42 14.996 -0.163 8.650 1.00 0.00 C ATOM 548 CD ARG A 42 14.823 -0.358 7.138 1.00 0.00 C ATOM 549 NE ARG A 42 15.244 -1.713 6.711 1.00 0.00 N ATOM 550 CZ ARG A 42 14.968 -2.283 5.510 1.00 0.00 C ATOM 551 NH1 ARG A 42 14.382 -1.579 4.545 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 15.314 -3.551 5.272 1.00 0.00 N ATOM 0 H ARG A 42 13.309 2.143 7.108 1.00 0.00 H new ATOM 0 HA ARG A 42 12.467 0.331 9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.914 1.994 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.634 1.245 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.058 -0.202 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.520 -0.994 9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.779 -0.198 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.409 0.391 6.605 1.00 0.00 H new ATOM 0 HE ARG A 42 15.787 -2.264 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.136 -0.602 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.179 -2.016 3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 42 15.787 -4.095 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.105 -3.976 4.368 1.00 0.00 H new ATOM 566 N ALA A 43 11.599 3.300 9.434 1.00 0.00 N ATOM 567 CA ALA A 43 10.804 4.256 10.148 1.00 0.00 C ATOM 568 C ALA A 43 9.722 3.529 10.919 1.00 0.00 C ATOM 569 O ALA A 43 9.619 3.642 12.140 1.00 0.00 O ATOM 570 CB ALA A 43 10.121 5.127 9.110 1.00 0.00 C ATOM 0 H ALA A 43 11.617 3.472 8.429 1.00 0.00 H new ATOM 0 HA ALA A 43 11.423 4.837 10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.503 5.872 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.875 5.629 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.494 4.506 8.470 1.00 0.00 H new ATOM 576 N LYS A 44 8.982 2.690 10.221 1.00 0.00 N ATOM 577 CA LYS A 44 7.901 1.995 10.861 1.00 0.00 C ATOM 578 C LYS A 44 8.188 0.524 11.002 1.00 0.00 C ATOM 579 O LYS A 44 7.623 -0.107 11.869 1.00 0.00 O ATOM 580 CB LYS A 44 6.564 2.220 10.154 1.00 0.00 C ATOM 581 CG LYS A 44 6.107 3.677 10.090 1.00 0.00 C ATOM 582 CD LYS A 44 4.680 3.757 9.575 1.00 0.00 C ATOM 583 CE LYS A 44 4.188 5.174 9.400 1.00 0.00 C ATOM 584 NZ LYS A 44 4.805 5.814 8.225 1.00 0.00 N1+ ATOM 0 H LYS A 44 9.111 2.481 9.231 1.00 0.00 H new ATOM 0 HA LYS A 44 7.816 2.420 11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.637 1.832 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.797 1.636 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.170 4.129 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.769 4.245 9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.616 3.237 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.021 3.234 10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.104 5.174 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.417 5.754 10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.513 6.811 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.841 5.759 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.497 5.324 7.361 1.00 0.00 H new ATOM 598 N LYS A 45 9.120 -0.008 10.169 1.00 0.00 N ATOM 599 CA LYS A 45 9.529 -1.420 10.269 1.00 0.00 C ATOM 600 C LYS A 45 8.343 -2.360 10.073 1.00 0.00 C ATOM 601 O LYS A 45 7.899 -2.989 11.023 1.00 0.00 O ATOM 602 CB LYS A 45 10.233 -1.687 11.608 1.00 0.00 C ATOM 603 CG LYS A 45 11.524 -0.905 11.775 1.00 0.00 C ATOM 604 CD LYS A 45 11.970 -0.835 13.228 1.00 0.00 C ATOM 605 CE LYS A 45 11.008 0.015 14.077 1.00 0.00 C ATOM 606 NZ LYS A 45 10.884 1.415 13.563 1.00 0.00 N1+ ATOM 0 H LYS A 45 9.592 0.517 9.433 1.00 0.00 H new ATOM 0 HA LYS A 45 10.238 -1.620 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.555 -1.434 12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.448 -2.752 11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.308 -1.370 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.387 0.105 11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.027 -1.842 13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.973 -0.412 13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.024 -0.454 14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.361 0.039 15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.041 2.086 14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.593 1.576 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.932 1.557 13.170 1.00 0.00 H new ATOM 620 N ILE A 46 7.753 -2.335 8.857 1.00 0.00 N ATOM 621 CA ILE A 46 6.568 -3.155 8.549 1.00 0.00 C ATOM 622 C ILE A 46 6.815 -4.585 8.975 1.00 0.00 C ATOM 623 O ILE A 46 6.136 -5.125 9.862 1.00 0.00 O ATOM 624 CB ILE A 46 6.198 -3.274 7.026 1.00 0.00 C ATOM 625 CG1 ILE A 46 6.448 -2.005 6.223 1.00 0.00 C ATOM 626 CG2 ILE A 46 4.752 -3.713 6.877 1.00 0.00 C ATOM 627 CD1 ILE A 46 7.867 -1.906 5.711 1.00 0.00 C ATOM 0 H ILE A 46 8.078 -1.759 8.080 1.00 0.00 H new ATOM 0 HA ILE A 46 5.762 -2.643 9.075 1.00 0.00 H new ATOM 0 HB ILE A 46 6.868 -4.026 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.759 -1.973 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.230 -1.137 6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.503 -3.793 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.615 -4.682 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.099 -2.979 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.986 -0.981 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.559 -1.908 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.080 -2.757 5.064 1.00 0.00 H new ATOM 639 N LEU A 47 7.713 -5.177 8.231 1.00 0.00 N ATOM 640 CA LEU A 47 8.206 -6.502 8.351 1.00 0.00 C ATOM 641 C LEU A 47 9.338 -6.588 7.367 1.00 0.00 C ATOM 642 O LEU A 47 9.456 -5.687 6.530 1.00 0.00 O ATOM 643 CB LEU A 47 7.081 -7.545 8.003 1.00 0.00 C ATOM 644 CG LEU A 47 6.123 -7.217 6.801 1.00 0.00 C ATOM 645 CD1 LEU A 47 6.840 -7.081 5.472 1.00 0.00 C ATOM 646 CD2 LEU A 47 5.031 -8.248 6.683 1.00 0.00 C ATOM 0 H LEU A 47 8.153 -4.685 7.453 1.00 0.00 H new ATOM 0 HA LEU A 47 8.533 -6.728 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.563 -8.501 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.467 -7.684 8.893 1.00 0.00 H new ATOM 0 HG LEU A 47 5.690 -6.244 7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.116 -6.855 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.571 -6.275 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.349 -8.015 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.383 -7.997 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.474 -9.230 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.445 -8.264 7.602 1.00 0.00 H new ATOM 658 N SER A 48 10.204 -7.538 7.469 1.00 0.00 N ATOM 659 CA SER A 48 10.967 -7.837 6.308 1.00 0.00 C ATOM 660 C SER A 48 10.468 -9.183 5.907 1.00 0.00 C ATOM 661 O SER A 48 10.503 -10.088 6.733 1.00 0.00 O ATOM 662 CB SER A 48 12.455 -7.863 6.656 1.00 0.00 C ATOM 663 OG SER A 48 12.859 -6.592 7.149 1.00 0.00 O ATOM 0 H SER A 48 10.396 -8.097 8.301 1.00 0.00 H new ATOM 0 HA SER A 48 10.862 -7.105 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.649 -8.631 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 48 13.039 -8.123 5.773 1.00 0.00 H new ATOM 0 HG SER A 48 13.813 -6.616 7.372 1.00 0.00 H new ATOM 669 N ARG A 49 9.943 -9.345 4.701 1.00 0.00 N ATOM 670 CA ARG A 49 9.441 -10.650 4.430 1.00 0.00 C ATOM 671 C ARG A 49 10.514 -11.584 3.828 1.00 0.00 C ATOM 672 O ARG A 49 11.213 -12.286 4.546 1.00 0.00 O ATOM 673 CB ARG A 49 8.240 -10.489 3.527 1.00 0.00 C ATOM 674 CG ARG A 49 7.507 -11.734 3.180 1.00 0.00 C ATOM 675 CD ARG A 49 6.483 -11.403 2.139 1.00 0.00 C ATOM 676 NE ARG A 49 5.809 -12.570 1.649 1.00 0.00 N ATOM 677 CZ ARG A 49 4.506 -12.640 1.535 1.00 0.00 C ATOM 678 NH1 ARG A 49 3.795 -11.530 1.637 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 3.905 -13.784 1.248 1.00 0.00 N ATOM 0 H ARG A 49 9.863 -8.646 3.962 1.00 0.00 H new ATOM 0 HA ARG A 49 9.147 -11.138 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.541 -9.803 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.568 -10.016 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.198 -12.490 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.027 -12.151 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.751 -10.713 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.966 -10.889 1.308 1.00 0.00 H new ATOM 0 HE ARG A 49 6.368 -13.379 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.262 -10.638 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.779 -11.565 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.458 -14.630 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.889 -13.819 1.163 1.00 0.00 H new ATOM 693 N GLU A 50 10.689 -11.519 2.502 1.00 0.00 N ATOM 694 CA GLU A 50 11.845 -12.025 1.824 1.00 0.00 C ATOM 695 C GLU A 50 12.736 -10.866 1.501 1.00 0.00 C ATOM 696 O GLU A 50 13.759 -10.585 2.134 1.00 0.00 O ATOM 697 CB GLU A 50 11.532 -12.789 0.495 1.00 0.00 C ATOM 698 CG GLU A 50 10.428 -13.845 0.537 1.00 0.00 C ATOM 699 CD GLU A 50 9.053 -13.225 0.598 1.00 0.00 C ATOM 700 OE1 GLU A 50 8.956 -11.979 0.424 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 8.064 -13.950 0.864 1.00 0.00 O ATOM 0 H GLU A 50 10.003 -11.100 1.874 1.00 0.00 H new ATOM 0 HA GLU A 50 12.311 -12.748 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.265 -12.052 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.449 -13.273 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.500 -14.480 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.574 -14.488 1.405 1.00 0.00 H new ATOM 708 N ASP A 51 12.184 -10.122 0.530 1.00 0.00 N ATOM 709 CA ASP A 51 12.838 -9.089 -0.251 1.00 0.00 C ATOM 710 C ASP A 51 13.192 -7.866 0.519 1.00 0.00 C ATOM 711 O ASP A 51 14.108 -7.217 0.155 1.00 0.00 O ATOM 712 CB ASP A 51 11.942 -8.616 -1.410 1.00 0.00 C ATOM 713 CG ASP A 51 11.367 -9.702 -2.284 1.00 0.00 C ATOM 714 OD1 ASP A 51 12.045 -10.180 -3.196 1.00 0.00 O ATOM 715 OD2 ASP A 51 10.193 -10.032 -2.100 1.00 0.00 O1- ATOM 0 H ASP A 51 11.207 -10.242 0.261 1.00 0.00 H new ATOM 0 HA ASP A 51 13.752 -9.569 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.118 -8.037 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.521 -7.939 -2.038 1.00 0.00 H new ATOM 720 N THR A 52 12.469 -7.551 1.575 1.00 0.00 N ATOM 721 CA THR A 52 12.605 -6.262 2.305 1.00 0.00 C ATOM 722 C THR A 52 14.092 -5.876 2.658 1.00 0.00 C ATOM 723 O THR A 52 14.410 -4.706 2.872 1.00 0.00 O ATOM 724 CB THR A 52 11.749 -6.333 3.563 1.00 0.00 C ATOM 725 OG1 THR A 52 10.541 -7.052 3.234 1.00 0.00 O ATOM 726 CG2 THR A 52 11.352 -4.941 4.077 1.00 0.00 C ATOM 0 H THR A 52 11.761 -8.171 1.970 1.00 0.00 H new ATOM 0 HA THR A 52 12.261 -5.469 1.641 1.00 0.00 H new ATOM 0 HB THR A 52 12.328 -6.827 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.969 -6.490 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.743 -5.045 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.250 -4.370 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.781 -4.419 3.309 1.00 0.00 H new ATOM 734 N ARG A 53 14.957 -6.872 2.773 1.00 0.00 N ATOM 735 CA ARG A 53 16.400 -6.659 2.956 1.00 0.00 C ATOM 736 C ARG A 53 17.100 -6.391 1.589 1.00 0.00 C ATOM 737 O ARG A 53 17.922 -5.513 1.448 1.00 0.00 O ATOM 738 CB ARG A 53 17.018 -7.917 3.560 1.00 0.00 C ATOM 739 CG ARG A 53 16.498 -8.321 4.935 1.00 0.00 C ATOM 740 CD ARG A 53 16.955 -9.742 5.286 1.00 0.00 C ATOM 741 NE ARG A 53 16.308 -10.748 4.411 1.00 0.00 N ATOM 742 CZ ARG A 53 16.851 -11.301 3.300 1.00 0.00 C ATOM 743 NH1 ARG A 53 18.110 -11.055 2.955 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 16.138 -12.105 2.543 1.00 0.00 N ATOM 0 H ARG A 53 14.686 -7.855 2.743 1.00 0.00 H new ATOM 0 HA ARG A 53 16.538 -5.798 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.852 -8.746 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.096 -7.771 3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.860 -7.620 5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.409 -8.269 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.038 -9.813 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.716 -9.956 6.328 1.00 0.00 H new ATOM 0 HE ARG A 53 15.369 -11.051 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.686 -10.440 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.501 -11.481 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.171 -12.315 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.552 -12.519 1.707 1.00 0.00 H new ATOM 758 N GLU A 54 16.713 -7.199 0.632 1.00 0.00 N ATOM 759 CA GLU A 54 17.322 -7.360 -0.693 1.00 0.00 C ATOM 760 C GLU A 54 16.762 -6.470 -1.836 1.00 0.00 C ATOM 761 O GLU A 54 17.384 -6.415 -2.873 1.00 0.00 O ATOM 762 CB GLU A 54 17.245 -8.826 -1.105 1.00 0.00 C ATOM 763 CG GLU A 54 18.088 -9.766 -0.257 1.00 0.00 C ATOM 764 CD GLU A 54 17.834 -11.216 -0.590 1.00 0.00 C ATOM 765 OE1 GLU A 54 17.835 -11.573 -1.776 1.00 0.00 O ATOM 766 OE2 GLU A 54 17.597 -12.020 0.344 1.00 0.00 O1- ATOM 0 H GLU A 54 15.907 -7.812 0.754 1.00 0.00 H new ATOM 0 HA GLU A 54 18.348 -7.014 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.205 -9.149 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.560 -8.915 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.144 -9.540 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.872 -9.594 0.797 1.00 0.00 H new ATOM 773 N ILE A 55 15.572 -5.853 -1.656 1.00 0.00 N ATOM 774 CA ILE A 55 14.732 -5.221 -2.760 1.00 0.00 C ATOM 775 C ILE A 55 15.498 -4.571 -3.944 1.00 0.00 C ATOM 776 O ILE A 55 15.100 -4.763 -5.099 1.00 0.00 O ATOM 777 CB ILE A 55 13.641 -4.209 -2.237 1.00 0.00 C ATOM 778 CG1 ILE A 55 14.253 -2.910 -1.690 1.00 0.00 C ATOM 779 CG2 ILE A 55 12.793 -4.863 -1.200 1.00 0.00 C ATOM 780 CD1 ILE A 55 13.223 -1.863 -1.290 1.00 0.00 C ATOM 0 H ILE A 55 15.141 -5.766 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 55 14.247 -6.110 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 55 13.023 -3.930 -3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.870 -3.148 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.914 -2.485 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.043 -4.157 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.297 -5.733 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.418 -5.179 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.733 -0.976 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.621 -1.595 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.577 -2.267 -0.511 1.00 0.00 H new ATOM 792 N SER A 56 16.580 -3.870 -3.675 1.00 0.00 N ATOM 793 CA SER A 56 17.388 -3.243 -4.710 1.00 0.00 C ATOM 794 C SER A 56 17.956 -4.304 -5.714 1.00 0.00 C ATOM 795 O SER A 56 18.134 -4.039 -6.895 1.00 0.00 O ATOM 796 CB SER A 56 18.518 -2.502 -4.015 1.00 0.00 C ATOM 797 OG SER A 56 18.001 -1.758 -2.917 1.00 0.00 O ATOM 0 H SER A 56 16.928 -3.716 -2.729 1.00 0.00 H new ATOM 0 HA SER A 56 16.777 -2.555 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.269 -3.210 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.014 -1.833 -4.718 1.00 0.00 H new ATOM 0 HG SER A 56 17.412 -1.049 -3.250 1.00 0.00 H new ATOM 803 N CYS A 57 18.223 -5.498 -5.213 1.00 0.00 N ATOM 804 CA CYS A 57 18.725 -6.608 -6.015 1.00 0.00 C ATOM 805 C CYS A 57 17.562 -7.457 -6.569 1.00 0.00 C ATOM 806 O CYS A 57 17.719 -8.194 -7.522 1.00 0.00 O ATOM 807 CB CYS A 57 19.662 -7.468 -5.170 1.00 0.00 C ATOM 808 SG CYS A 57 21.027 -6.537 -4.436 1.00 0.00 S ATOM 0 H CYS A 57 18.097 -5.730 -4.228 1.00 0.00 H new ATOM 0 HA CYS A 57 19.278 -6.206 -6.864 1.00 0.00 H new ATOM 0 HB2 CYS A 57 19.088 -7.944 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 57 20.069 -8.266 -5.791 1.00 0.00 H new ATOM 0 HG CYS A 57 21.772 -7.339 -3.735 1.00 0.00 H new ATOM 814 N ARG A 58 16.397 -7.319 -5.951 1.00 0.00 N ATOM 815 CA ARG A 58 15.174 -8.081 -6.314 1.00 0.00 C ATOM 816 C ARG A 58 14.389 -7.338 -7.399 1.00 0.00 C ATOM 817 O ARG A 58 13.247 -7.681 -7.723 1.00 0.00 O ATOM 818 CB ARG A 58 14.284 -8.237 -5.079 1.00 0.00 C ATOM 819 CG ARG A 58 14.899 -9.034 -3.937 1.00 0.00 C ATOM 820 CD ARG A 58 15.003 -10.510 -4.279 1.00 0.00 C ATOM 821 NE ARG A 58 15.522 -11.309 -3.158 1.00 0.00 N ATOM 822 CZ ARG A 58 14.828 -12.228 -2.475 1.00 0.00 C ATOM 823 NH1 ARG A 58 13.495 -12.257 -2.538 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 15.468 -13.017 -1.625 1.00 0.00 N ATOM 0 H ARG A 58 16.256 -6.673 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 58 15.470 -9.061 -6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.024 -7.245 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.354 -8.720 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 58 15.890 -8.641 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.294 -8.910 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.020 -10.884 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.655 -10.635 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 58 16.490 -11.150 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.997 -11.575 -3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.975 -12.961 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.475 -12.920 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.953 -13.722 -1.097 1.00 0.00 H new ATOM 838 N THR A 59 15.006 -6.322 -7.908 1.00 0.00 N ATOM 839 CA THR A 59 14.432 -5.426 -8.857 1.00 0.00 C ATOM 840 C THR A 59 14.155 -6.028 -10.256 1.00 0.00 C ATOM 841 O THR A 59 14.940 -6.791 -10.811 1.00 0.00 O ATOM 842 CB THR A 59 15.333 -4.179 -8.981 1.00 0.00 C ATOM 843 OG1 THR A 59 15.269 -3.425 -7.763 1.00 0.00 O ATOM 844 CG2 THR A 59 14.935 -3.296 -10.158 1.00 0.00 C ATOM 0 H THR A 59 15.967 -6.084 -7.662 1.00 0.00 H new ATOM 0 HA THR A 59 13.446 -5.170 -8.468 1.00 0.00 H new ATOM 0 HB THR A 59 16.353 -4.520 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.185 -4.038 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.597 -2.431 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.016 -3.865 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.907 -2.959 -10.028 1.00 0.00 H new ATOM 852 N SER A 60 13.006 -5.658 -10.772 1.00 0.00 N ATOM 853 CA SER A 60 12.613 -5.858 -12.121 1.00 0.00 C ATOM 854 C SER A 60 12.017 -4.502 -12.521 1.00 0.00 C ATOM 855 O SER A 60 11.498 -3.805 -11.636 1.00 0.00 O ATOM 856 CB SER A 60 11.598 -7.010 -12.238 1.00 0.00 C ATOM 857 OG SER A 60 11.231 -7.248 -13.588 1.00 0.00 O ATOM 0 H SER A 60 12.291 -5.185 -10.220 1.00 0.00 H new ATOM 0 HA SER A 60 13.434 -6.153 -12.775 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.026 -7.917 -11.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.708 -6.772 -11.655 1.00 0.00 H new ATOM 0 HG SER A 60 10.587 -7.986 -13.627 1.00 0.00 H new ATOM 863 N SER A 61 12.082 -4.148 -13.802 1.00 0.00 N ATOM 864 CA SER A 61 11.771 -2.800 -14.335 1.00 0.00 C ATOM 865 C SER A 61 10.627 -2.027 -13.596 1.00 0.00 C ATOM 866 O SER A 61 10.891 -1.064 -12.880 1.00 0.00 O ATOM 867 CB SER A 61 11.474 -2.942 -15.819 1.00 0.00 C ATOM 868 OG SER A 61 12.473 -3.752 -16.425 1.00 0.00 O ATOM 0 H SER A 61 12.361 -4.804 -14.531 1.00 0.00 H new ATOM 0 HA SER A 61 12.648 -2.177 -14.158 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.491 -3.389 -15.963 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.450 -1.960 -16.292 1.00 0.00 H new ATOM 0 HG SER A 61 12.282 -3.846 -17.382 1.00 0.00 H new ATOM 874 N ARG A 62 9.385 -2.457 -13.746 1.00 0.00 N ATOM 875 CA ARG A 62 8.267 -1.778 -13.068 1.00 0.00 C ATOM 876 C ARG A 62 7.980 -2.372 -11.707 1.00 0.00 C ATOM 877 O ARG A 62 7.314 -1.764 -10.881 1.00 0.00 O ATOM 878 CB ARG A 62 6.988 -1.756 -13.912 1.00 0.00 C ATOM 879 CG ARG A 62 7.014 -0.797 -15.100 1.00 0.00 C ATOM 880 CD ARG A 62 7.279 0.649 -14.659 1.00 0.00 C ATOM 881 NE ARG A 62 6.368 1.101 -13.586 1.00 0.00 N ATOM 882 CZ ARG A 62 6.227 2.386 -13.187 1.00 0.00 C ATOM 883 NH1 ARG A 62 6.762 3.374 -13.890 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 5.512 2.684 -12.112 1.00 0.00 N ATOM 0 H ARG A 62 9.117 -3.258 -14.318 1.00 0.00 H new ATOM 0 HA ARG A 62 8.593 -0.747 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.798 -2.763 -14.282 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.150 -1.489 -13.268 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.786 -1.110 -15.803 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.062 -0.847 -15.629 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.309 0.735 -14.314 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.175 1.310 -15.519 1.00 0.00 H new ATOM 0 HE ARG A 62 5.806 0.394 -13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.286 3.169 -14.741 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.650 4.339 -13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.062 1.941 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.412 3.656 -11.819 1.00 0.00 H new ATOM 898 N LYS A 63 8.504 -3.550 -11.485 1.00 0.00 N ATOM 899 CA LYS A 63 8.225 -4.328 -10.287 1.00 0.00 C ATOM 900 C LYS A 63 8.874 -3.699 -9.075 1.00 0.00 C ATOM 901 O LYS A 63 8.408 -3.859 -7.964 1.00 0.00 O ATOM 902 CB LYS A 63 8.769 -5.744 -10.468 1.00 0.00 C ATOM 903 CG LYS A 63 8.164 -6.802 -9.541 1.00 0.00 C ATOM 904 CD LYS A 63 6.650 -6.728 -9.590 1.00 0.00 C ATOM 905 CE LYS A 63 5.963 -7.987 -9.031 1.00 0.00 C ATOM 906 NZ LYS A 63 6.139 -8.163 -7.575 1.00 0.00 N1+ ATOM 0 H LYS A 63 9.145 -4.008 -12.133 1.00 0.00 H new ATOM 0 HA LYS A 63 7.146 -4.354 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.601 -6.051 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.848 -5.723 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.498 -7.795 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.511 -6.645 -8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.317 -5.858 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.333 -6.577 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.898 -7.939 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.358 -8.864 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.881 -8.870 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.415 -7.256 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.245 -8.487 -7.154 1.00 0.00 H new ATOM 920 N ARG A 64 9.944 -3.000 -9.337 1.00 0.00 N ATOM 921 CA ARG A 64 10.844 -2.434 -8.348 1.00 0.00 C ATOM 922 C ARG A 64 10.141 -1.687 -7.194 1.00 0.00 C ATOM 923 O ARG A 64 10.248 -2.092 -6.040 1.00 0.00 O ATOM 924 CB ARG A 64 11.840 -1.519 -9.041 1.00 0.00 C ATOM 925 CG ARG A 64 13.026 -1.125 -8.197 1.00 0.00 C ATOM 926 CD ARG A 64 13.979 -0.237 -8.977 1.00 0.00 C ATOM 927 NE ARG A 64 15.271 -0.162 -8.321 1.00 0.00 N ATOM 928 CZ ARG A 64 16.402 0.303 -8.832 1.00 0.00 C ATOM 929 NH1 ARG A 64 16.435 0.837 -10.067 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 17.500 0.235 -8.092 1.00 0.00 N ATOM 0 H ARG A 64 10.234 -2.795 -10.293 1.00 0.00 H new ATOM 0 HA ARG A 64 11.352 -3.276 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.201 -2.014 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.321 -0.615 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.684 -0.601 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.550 -2.019 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.102 -0.628 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.556 0.763 -9.071 1.00 0.00 H new ATOM 0 HE ARG A 64 15.313 -0.505 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.582 0.888 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.313 1.191 -10.446 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.460 -0.167 -7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.385 0.585 -8.459 1.00 0.00 H new ATOM 944 N ALA A 65 9.432 -0.614 -7.509 1.00 0.00 N ATOM 945 CA ALA A 65 8.783 0.189 -6.472 1.00 0.00 C ATOM 946 C ALA A 65 7.632 -0.592 -5.855 1.00 0.00 C ATOM 947 O ALA A 65 7.436 -0.582 -4.639 1.00 0.00 O ATOM 948 CB ALA A 65 8.259 1.497 -7.057 1.00 0.00 C ATOM 0 H ALA A 65 9.289 -0.278 -8.461 1.00 0.00 H new ATOM 0 HA ALA A 65 9.519 0.419 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.780 2.081 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.089 2.066 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.534 1.280 -7.841 1.00 0.00 H new ATOM 954 N GLY A 66 6.920 -1.309 -6.710 1.00 0.00 N ATOM 955 CA GLY A 66 5.762 -2.060 -6.296 1.00 0.00 C ATOM 956 C GLY A 66 6.091 -3.190 -5.341 1.00 0.00 C ATOM 957 O GLY A 66 5.281 -3.522 -4.507 1.00 0.00 O ATOM 0 H GLY A 66 7.133 -1.382 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.051 -1.385 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.269 -2.470 -7.177 1.00 0.00 H new ATOM 961 N LYS A 67 7.307 -3.740 -5.463 1.00 0.00 N ATOM 962 CA LYS A 67 7.809 -4.883 -4.670 1.00 0.00 C ATOM 963 C LYS A 67 7.547 -4.732 -3.164 1.00 0.00 C ATOM 964 O LYS A 67 7.131 -5.673 -2.517 1.00 0.00 O ATOM 965 CB LYS A 67 9.313 -5.110 -4.966 1.00 0.00 C ATOM 966 CG LYS A 67 10.069 -6.181 -4.131 1.00 0.00 C ATOM 967 CD LYS A 67 9.685 -7.668 -4.396 1.00 0.00 C ATOM 968 CE LYS A 67 8.314 -8.061 -3.845 1.00 0.00 C ATOM 969 NZ LYS A 67 8.157 -9.526 -3.657 1.00 0.00 N1+ ATOM 0 H LYS A 67 7.993 -3.395 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 67 7.248 -5.765 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.409 -5.378 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.827 -4.158 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.137 -6.066 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.904 -5.969 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.700 -7.851 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.443 -8.313 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.156 -7.560 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.540 -7.703 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.152 -9.752 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.506 -10.024 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.703 -9.830 -2.825 1.00 0.00 H new ATOM 983 N LEU A 68 7.745 -3.567 -2.628 1.00 0.00 N ATOM 984 CA LEU A 68 7.487 -3.355 -1.215 1.00 0.00 C ATOM 985 C LEU A 68 6.015 -3.499 -0.880 1.00 0.00 C ATOM 986 O LEU A 68 5.650 -4.259 -0.012 1.00 0.00 O ATOM 987 CB LEU A 68 8.036 -2.024 -0.776 1.00 0.00 C ATOM 988 CG LEU A 68 7.372 -1.336 0.427 1.00 0.00 C ATOM 989 CD1 LEU A 68 7.755 -1.928 1.741 1.00 0.00 C ATOM 990 CD2 LEU A 68 7.564 0.161 0.393 1.00 0.00 C ATOM 0 H LEU A 68 8.082 -2.747 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 68 8.006 -4.134 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.093 -2.158 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.980 -1.342 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 68 6.304 -1.528 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.248 -1.392 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.463 -2.978 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.834 -1.848 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.080 0.610 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.629 0.392 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.122 0.564 -0.518 1.00 0.00 H new ATOM 1002 N LEU A 69 5.191 -2.846 -1.632 1.00 0.00 N ATOM 1003 CA LEU A 69 3.760 -2.841 -1.397 1.00 0.00 C ATOM 1004 C LEU A 69 3.150 -4.201 -1.805 1.00 0.00 C ATOM 1005 O LEU A 69 2.013 -4.529 -1.482 1.00 0.00 O ATOM 1006 CB LEU A 69 3.065 -1.651 -2.118 1.00 0.00 C ATOM 1007 CG LEU A 69 3.943 -0.719 -3.049 1.00 0.00 C ATOM 1008 CD1 LEU A 69 3.052 0.264 -3.776 1.00 0.00 C ATOM 1009 CD2 LEU A 69 4.941 0.089 -2.215 1.00 0.00 C ATOM 0 H LEU A 69 5.481 -2.292 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 69 3.586 -2.699 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.255 -2.057 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.608 -1.022 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 69 4.475 -1.356 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.661 0.903 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.332 -0.280 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.520 0.879 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.535 0.723 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.400 0.711 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.599 -0.592 -1.675 1.00 0.00 H new ATOM 1021 N ASP A 70 3.948 -4.935 -2.547 1.00 0.00 N ATOM 1022 CA ASP A 70 3.687 -6.281 -3.063 1.00 0.00 C ATOM 1023 C ASP A 70 3.877 -7.301 -1.938 1.00 0.00 C ATOM 1024 O ASP A 70 3.046 -8.164 -1.726 1.00 0.00 O ATOM 1025 CB ASP A 70 4.723 -6.500 -4.181 1.00 0.00 C ATOM 1026 CG ASP A 70 4.672 -7.768 -4.988 1.00 0.00 C ATOM 1027 OD1 ASP A 70 4.047 -7.760 -6.060 1.00 0.00 O1- ATOM 1028 OD2 ASP A 70 5.447 -8.706 -4.688 1.00 0.00 O ATOM 0 H ASP A 70 4.865 -4.592 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 70 2.671 -6.396 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.638 -5.665 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.713 -6.438 -3.728 1.00 0.00 H new ATOM 1033 N TYR A 71 4.964 -7.145 -1.172 1.00 0.00 N ATOM 1034 CA TYR A 71 5.266 -8.062 -0.071 1.00 0.00 C ATOM 1035 C TYR A 71 4.398 -7.890 1.183 1.00 0.00 C ATOM 1036 O TYR A 71 4.357 -8.774 2.042 1.00 0.00 O ATOM 1037 CB TYR A 71 6.791 -8.240 0.262 1.00 0.00 C ATOM 1038 CG TYR A 71 7.716 -7.009 0.439 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.553 -6.067 1.456 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.856 -6.881 -0.359 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.471 -5.072 1.646 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.756 -5.860 -0.181 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.562 -4.966 0.823 1.00 0.00 C ATOM 1044 OH TYR A 71 10.479 -3.963 1.035 1.00 0.00 O ATOM 0 H TYR A 71 5.645 -6.395 -1.295 1.00 0.00 H new ATOM 0 HA TYR A 71 4.962 -9.019 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.852 -8.820 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.222 -8.852 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.689 -6.125 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.034 -7.607 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.336 -4.364 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.611 -5.768 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 71 10.497 -3.366 0.258 1.00 0.00 H new ATOM 1054 N LEU A 72 3.718 -6.775 1.278 1.00 0.00 N ATOM 1055 CA LEU A 72 2.922 -6.412 2.469 1.00 0.00 C ATOM 1056 C LEU A 72 1.560 -7.125 2.546 1.00 0.00 C ATOM 1057 O LEU A 72 0.926 -7.084 3.584 1.00 0.00 O ATOM 1058 CB LEU A 72 2.568 -4.943 2.417 1.00 0.00 C ATOM 1059 CG LEU A 72 3.660 -3.940 2.158 1.00 0.00 C ATOM 1060 CD1 LEU A 72 3.020 -2.613 1.983 1.00 0.00 C ATOM 1061 CD2 LEU A 72 4.659 -3.863 3.289 1.00 0.00 C ATOM 0 H LEU A 72 3.688 -6.075 0.537 1.00 0.00 H new ATOM 0 HA LEU A 72 3.545 -6.694 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.811 -4.814 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.100 -4.683 3.367 1.00 0.00 H new ATOM 0 HG LEU A 72 4.209 -4.249 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.786 -1.862 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.331 -2.650 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.472 -2.351 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.424 -3.125 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.148 -3.571 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.127 -4.838 3.428 1.00 0.00 H new ATOM 1073 N GLN A 73 1.118 -7.732 1.448 1.00 0.00 N ATOM 1074 CA GLN A 73 -0.294 -8.168 1.275 1.00 0.00 C ATOM 1075 C GLN A 73 -0.964 -8.888 2.486 1.00 0.00 C ATOM 1076 O GLN A 73 -2.025 -8.461 2.935 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.453 -8.977 -0.012 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.566 -8.458 -0.923 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.928 -8.606 -0.396 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -3.278 -9.549 0.326 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -3.699 -7.634 -0.693 1.00 0.00 N ATOM 0 H GLN A 73 1.714 -7.942 0.647 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.851 -7.233 1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.490 -8.964 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.659 -10.016 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.385 -7.402 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.505 -8.980 -1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.362 -6.881 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.652 -7.610 -0.331 1.00 0.00 H new ATOM 1090 N GLU A 74 -0.374 -9.903 3.038 1.00 0.00 N ATOM 1091 CA GLU A 74 -0.984 -10.597 4.178 1.00 0.00 C ATOM 1092 C GLU A 74 -0.712 -9.926 5.534 1.00 0.00 C ATOM 1093 O GLU A 74 -1.063 -10.458 6.585 1.00 0.00 O ATOM 1094 CB GLU A 74 -0.735 -12.138 4.202 1.00 0.00 C ATOM 1095 CG GLU A 74 0.696 -12.610 3.963 1.00 0.00 C ATOM 1096 CD GLU A 74 1.085 -12.626 2.496 1.00 0.00 C ATOM 1097 OE1 GLU A 74 1.252 -11.540 1.906 1.00 0.00 O ATOM 1098 OE2 GLU A 74 1.302 -13.711 1.934 1.00 0.00 O1- ATOM 0 H GLU A 74 0.523 -10.283 2.736 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.055 -10.486 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.061 -12.519 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.374 -12.597 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.381 -11.960 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.814 -13.613 4.374 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.159 -8.739 5.494 1.00 0.00 N ATOM 1106 CA ASN A 75 0.063 -7.924 6.677 1.00 0.00 C ATOM 1107 C ASN A 75 -0.800 -6.664 6.550 1.00 0.00 C ATOM 1108 O ASN A 75 -0.343 -5.659 6.033 1.00 0.00 O ATOM 1109 CB ASN A 75 1.545 -7.568 6.866 1.00 0.00 C ATOM 1110 CG ASN A 75 1.842 -6.936 8.226 1.00 0.00 C ATOM 1111 OD1 ASN A 75 1.822 -5.713 8.402 1.00 0.00 O ATOM 1112 ND2 ASN A 75 2.127 -7.773 9.202 1.00 0.00 N ATOM 0 H ASN A 75 0.156 -8.300 4.629 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.223 -8.490 7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.146 -8.470 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.850 -6.880 6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.339 -7.417 10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.136 -8.778 9.026 1.00 0.00 H new ATOM 1119 N PRO A 76 -2.108 -6.765 6.939 1.00 0.00 N ATOM 1120 CA PRO A 76 -3.156 -5.728 6.714 1.00 0.00 C ATOM 1121 C PRO A 76 -2.707 -4.256 6.789 1.00 0.00 C ATOM 1122 O PRO A 76 -3.002 -3.478 5.887 1.00 0.00 O ATOM 1123 CB PRO A 76 -4.160 -6.034 7.817 1.00 0.00 C ATOM 1124 CG PRO A 76 -4.107 -7.513 7.951 1.00 0.00 C ATOM 1125 CD PRO A 76 -2.672 -7.912 7.695 1.00 0.00 C ATOM 0 HA PRO A 76 -3.527 -5.793 5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.891 -5.539 8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.161 -5.693 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.425 -7.825 8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.777 -7.992 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.132 -8.080 8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.611 -8.837 7.121 1.00 0.00 H new ATOM 1133 N LYS A 77 -1.971 -3.898 7.832 1.00 0.00 N ATOM 1134 CA LYS A 77 -1.582 -2.501 8.043 1.00 0.00 C ATOM 1135 C LYS A 77 -0.398 -2.066 7.176 1.00 0.00 C ATOM 1136 O LYS A 77 0.023 -0.913 7.238 1.00 0.00 O ATOM 1137 CB LYS A 77 -1.346 -2.194 9.560 1.00 0.00 C ATOM 1138 CG LYS A 77 -0.305 -3.069 10.321 1.00 0.00 C ATOM 1139 CD LYS A 77 1.148 -2.824 9.886 1.00 0.00 C ATOM 1140 CE LYS A 77 2.140 -3.630 10.729 1.00 0.00 C ATOM 1141 NZ LYS A 77 3.540 -3.480 10.242 1.00 0.00 N1+ ATOM 0 H LYS A 77 -1.631 -4.546 8.543 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.426 -1.895 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.037 -1.152 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.303 -2.287 10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.392 -2.874 11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.548 -4.121 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.263 -3.092 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.378 -1.762 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.081 -3.304 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.860 -4.683 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.909 -4.409 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.557 -2.835 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.133 -3.091 11.003 1.00 0.00 H new ATOM 1155 N GLY A 78 0.121 -2.985 6.377 1.00 0.00 N ATOM 1156 CA GLY A 78 1.289 -2.737 5.558 1.00 0.00 C ATOM 1157 C GLY A 78 1.137 -1.560 4.622 1.00 0.00 C ATOM 1158 O GLY A 78 1.990 -0.674 4.600 1.00 0.00 O ATOM 0 H GLY A 78 -0.260 -3.926 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.147 -2.565 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.507 -3.630 4.972 1.00 0.00 H new ATOM 1162 N LEU A 79 0.051 -1.528 3.876 1.00 0.00 N ATOM 1163 CA LEU A 79 -0.180 -0.441 2.932 1.00 0.00 C ATOM 1164 C LEU A 79 -0.436 0.885 3.646 1.00 0.00 C ATOM 1165 O LEU A 79 0.006 1.943 3.175 1.00 0.00 O ATOM 1166 CB LEU A 79 -1.304 -0.762 1.924 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.946 -1.610 0.663 1.00 0.00 C ATOM 1168 CD1 LEU A 79 0.071 -0.924 -0.206 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.473 -3.013 0.990 1.00 0.00 C ATOM 0 H LEU A 79 -0.684 -2.235 3.901 1.00 0.00 H new ATOM 0 HA LEU A 79 0.739 -0.334 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.095 -1.284 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.723 0.184 1.581 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.883 -1.702 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.291 -1.549 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.325 0.035 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.985 -0.760 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.242 -3.544 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.421 -2.960 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.257 -3.545 1.528 1.00 0.00 H new ATOM 1181 N ASP A 80 -1.097 0.824 4.802 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.379 2.031 5.602 1.00 0.00 C ATOM 1183 C ASP A 80 -0.088 2.624 6.122 1.00 0.00 C ATOM 1184 O ASP A 80 0.093 3.850 6.166 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.335 1.745 6.762 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.721 1.376 6.299 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -4.489 2.273 5.861 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -4.093 0.183 6.357 1.00 0.00 O1- ATOM 0 H ASP A 80 -1.449 -0.042 5.210 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.871 2.749 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.931 0.934 7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.393 2.624 7.404 1.00 0.00 H new ATOM 1193 N THR A 81 0.827 1.731 6.454 1.00 0.00 N ATOM 1194 CA THR A 81 2.163 2.054 6.914 1.00 0.00 C ATOM 1195 C THR A 81 2.905 2.919 5.856 1.00 0.00 C ATOM 1196 O THR A 81 3.715 3.824 6.199 1.00 0.00 O ATOM 1197 CB THR A 81 2.941 0.711 7.163 1.00 0.00 C ATOM 1198 OG1 THR A 81 2.304 -0.049 8.203 1.00 0.00 O ATOM 1199 CG2 THR A 81 4.389 0.919 7.538 1.00 0.00 C ATOM 0 H THR A 81 0.653 0.727 6.409 1.00 0.00 H new ATOM 0 HA THR A 81 2.108 2.628 7.839 1.00 0.00 H new ATOM 0 HB THR A 81 2.917 0.172 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.444 -0.389 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.867 -0.048 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.900 1.450 6.735 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.447 1.506 8.455 1.00 0.00 H new ATOM 1207 N LEU A 82 2.586 2.671 4.593 1.00 0.00 N ATOM 1208 CA LEU A 82 3.238 3.329 3.486 1.00 0.00 C ATOM 1209 C LEU A 82 2.536 4.616 3.067 1.00 0.00 C ATOM 1210 O LEU A 82 3.179 5.666 2.980 1.00 0.00 O ATOM 1211 CB LEU A 82 3.352 2.394 2.291 1.00 0.00 C ATOM 1212 CG LEU A 82 4.062 1.061 2.528 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.304 0.384 1.225 1.00 0.00 C ATOM 1214 CD2 LEU A 82 5.358 1.231 3.308 1.00 0.00 C ATOM 0 H LEU A 82 1.865 2.005 4.314 1.00 0.00 H new ATOM 0 HA LEU A 82 4.235 3.598 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.347 2.184 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.876 2.922 1.495 1.00 0.00 H new ATOM 0 HG LEU A 82 3.412 0.436 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.810 -0.566 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.352 0.203 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.928 1.019 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.826 0.257 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.034 1.881 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.142 1.677 4.279 1.00 0.00 H new ATOM 1226 N VAL A 83 1.217 4.539 2.829 1.00 0.00 N ATOM 1227 CA VAL A 83 0.421 5.694 2.339 1.00 0.00 C ATOM 1228 C VAL A 83 0.523 6.905 3.273 1.00 0.00 C ATOM 1229 O VAL A 83 0.432 8.059 2.835 1.00 0.00 O ATOM 1230 CB VAL A 83 -1.082 5.324 2.085 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -1.723 4.763 3.333 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -1.872 6.534 1.598 1.00 0.00 C ATOM 0 H VAL A 83 0.670 3.689 2.966 1.00 0.00 H new ATOM 0 HA VAL A 83 0.860 5.969 1.380 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.100 4.559 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.764 4.515 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.191 3.864 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.677 5.505 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.910 6.247 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.830 7.322 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.441 6.898 0.665 1.00 0.00 H new ATOM 1242 N GLU A 84 0.742 6.640 4.544 1.00 0.00 N ATOM 1243 CA GLU A 84 0.903 7.682 5.537 1.00 0.00 C ATOM 1244 C GLU A 84 2.073 8.622 5.125 1.00 0.00 C ATOM 1245 O GLU A 84 1.952 9.846 5.184 1.00 0.00 O ATOM 1246 CB GLU A 84 1.101 7.008 6.929 1.00 0.00 C ATOM 1247 CG GLU A 84 1.252 7.918 8.164 1.00 0.00 C ATOM 1248 CD GLU A 84 2.589 8.623 8.252 1.00 0.00 C ATOM 1249 OE1 GLU A 84 3.605 8.035 7.829 1.00 0.00 O1- ATOM 1250 OE2 GLU A 84 2.637 9.769 8.702 1.00 0.00 O ATOM 0 H GLU A 84 0.814 5.694 4.919 1.00 0.00 H new ATOM 0 HA GLU A 84 0.017 8.314 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.251 6.348 7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.988 6.377 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.459 8.666 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.109 7.319 9.063 1.00 0.00 H new ATOM 1257 N SER A 85 3.133 8.030 4.591 1.00 0.00 N ATOM 1258 CA SER A 85 4.323 8.760 4.183 1.00 0.00 C ATOM 1259 C SER A 85 4.016 9.651 2.961 1.00 0.00 C ATOM 1260 O SER A 85 4.575 10.740 2.819 1.00 0.00 O ATOM 1261 CB SER A 85 5.455 7.746 3.865 1.00 0.00 C ATOM 1262 OG SER A 85 6.691 8.372 3.494 1.00 0.00 O ATOM 0 H SER A 85 3.190 7.025 4.428 1.00 0.00 H new ATOM 0 HA SER A 85 4.649 9.413 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.623 7.115 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.130 7.092 3.056 1.00 0.00 H new ATOM 0 HG SER A 85 6.714 8.501 2.523 1.00 0.00 H new ATOM 1268 N ILE A 86 3.095 9.197 2.128 1.00 0.00 N ATOM 1269 CA ILE A 86 2.720 9.887 0.889 1.00 0.00 C ATOM 1270 C ILE A 86 1.752 11.035 1.198 1.00 0.00 C ATOM 1271 O ILE A 86 1.627 11.982 0.446 1.00 0.00 O ATOM 1272 CB ILE A 86 2.043 8.894 -0.097 1.00 0.00 C ATOM 1273 CG1 ILE A 86 2.928 7.659 -0.282 1.00 0.00 C ATOM 1274 CG2 ILE A 86 1.772 9.558 -1.456 1.00 0.00 C ATOM 1275 CD1 ILE A 86 2.315 6.606 -1.164 1.00 0.00 C ATOM 0 H ILE A 86 2.578 8.332 2.287 1.00 0.00 H new ATOM 0 HA ILE A 86 3.624 10.288 0.430 1.00 0.00 H new ATOM 0 HB ILE A 86 1.085 8.592 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.883 7.967 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.140 7.225 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.298 8.839 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.112 10.414 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.713 9.893 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.998 5.761 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.374 6.270 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.128 7.024 -2.153 1.00 0.00 H new ATOM 1287 N ARG A 87 1.126 10.965 2.364 1.00 0.00 N ATOM 1288 CA ARG A 87 0.097 11.923 2.791 1.00 0.00 C ATOM 1289 C ARG A 87 0.641 13.391 2.916 1.00 0.00 C ATOM 1290 O ARG A 87 -0.115 14.337 3.185 1.00 0.00 O ATOM 1291 CB ARG A 87 -0.579 11.409 4.073 1.00 0.00 C ATOM 1292 CG ARG A 87 -1.908 12.069 4.397 1.00 0.00 C ATOM 1293 CD ARG A 87 -2.703 11.249 5.412 1.00 0.00 C ATOM 1294 NE ARG A 87 -2.934 9.856 4.941 1.00 0.00 N ATOM 1295 CZ ARG A 87 -4.071 9.387 4.362 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -5.081 10.218 4.067 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -4.179 8.086 4.059 1.00 0.00 N ATOM 0 H ARG A 87 1.315 10.237 3.053 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.663 11.987 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.736 10.334 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.101 11.560 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.733 13.070 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.491 12.185 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.167 11.227 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.662 11.733 5.599 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.169 9.193 5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.001 11.213 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.930 9.855 3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.409 7.449 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.032 7.733 3.625 1.00 0.00 H new ATOM 1311 N ARG A 88 1.958 13.558 2.734 1.00 0.00 N ATOM 1312 CA ARG A 88 2.591 14.883 2.684 1.00 0.00 C ATOM 1313 C ARG A 88 2.280 15.573 1.348 1.00 0.00 C ATOM 1314 O ARG A 88 2.215 16.792 1.283 1.00 0.00 O ATOM 1315 CB ARG A 88 4.125 14.817 2.888 1.00 0.00 C ATOM 1316 CG ARG A 88 4.605 14.666 4.338 1.00 0.00 C ATOM 1317 CD ARG A 88 4.170 13.364 4.981 1.00 0.00 C ATOM 1318 NE ARG A 88 4.608 13.276 6.383 1.00 0.00 N ATOM 1319 CZ ARG A 88 4.171 12.354 7.257 1.00 0.00 C ATOM 1320 NH1 ARG A 88 3.338 11.436 6.874 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 4.588 12.351 8.517 1.00 0.00 N ATOM 0 H ARG A 88 2.611 12.783 2.618 1.00 0.00 H new ATOM 0 HA ARG A 88 2.173 15.462 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.513 13.979 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.566 15.723 2.473 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.693 14.729 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.224 15.500 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.084 13.279 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.580 12.525 4.418 1.00 0.00 H new ATOM 0 HE ARG A 88 5.288 13.960 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.013 11.413 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.008 10.737 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.251 13.057 8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.245 11.643 9.166 1.00 0.00 H new ATOM 1335 N GLU A 89 2.030 14.758 0.317 1.00 0.00 N ATOM 1336 CA GLU A 89 1.690 15.193 -1.055 1.00 0.00 C ATOM 1337 C GLU A 89 0.443 16.045 -1.159 1.00 0.00 C ATOM 1338 O GLU A 89 0.195 16.588 -2.212 1.00 0.00 O ATOM 1339 CB GLU A 89 1.623 14.069 -2.084 1.00 0.00 C ATOM 1340 CG GLU A 89 2.953 13.445 -2.443 1.00 0.00 C ATOM 1341 CD GLU A 89 2.945 12.965 -3.873 1.00 0.00 C ATOM 1342 OE1 GLU A 89 2.253 11.980 -4.200 1.00 0.00 O1- ATOM 1343 OE2 GLU A 89 3.568 13.631 -4.742 1.00 0.00 O ATOM 0 H GLU A 89 2.058 13.743 0.411 1.00 0.00 H new ATOM 0 HA GLU A 89 2.546 15.821 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.964 13.288 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.165 14.457 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.752 14.173 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.161 12.610 -1.774 1.00 0.00 H new ATOM 1350 N LYS A 90 -0.342 16.083 -0.064 1.00 0.00 N ATOM 1351 CA LYS A 90 -1.727 16.651 0.090 1.00 0.00 C ATOM 1352 C LYS A 90 -2.142 17.859 -0.814 1.00 0.00 C ATOM 1353 O LYS A 90 -3.341 18.121 -0.939 1.00 0.00 O ATOM 1354 CB LYS A 90 -1.953 17.031 1.561 1.00 0.00 C ATOM 1355 CG LYS A 90 -0.980 18.102 2.071 1.00 0.00 C ATOM 1356 CD LYS A 90 -1.238 18.495 3.524 1.00 0.00 C ATOM 1357 CE LYS A 90 -0.995 17.341 4.488 1.00 0.00 C ATOM 1358 NZ LYS A 90 -1.194 17.759 5.904 1.00 0.00 N1+ ATOM 0 H LYS A 90 -0.011 15.689 0.817 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.368 15.842 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.974 17.392 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.855 16.138 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.041 17.733 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.059 18.988 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.592 19.331 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.266 18.841 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.672 16.520 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.020 16.965 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.020 16.949 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.531 18.526 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.170 18.094 6.033 1.00 0.00 H new ATOM 1372 N THR A 91 -1.210 18.588 -1.387 1.00 0.00 N ATOM 1373 CA THR A 91 -1.534 19.585 -2.386 1.00 0.00 C ATOM 1374 C THR A 91 -2.145 18.839 -3.611 1.00 0.00 C ATOM 1375 O THR A 91 -3.100 19.291 -4.239 1.00 0.00 O ATOM 1376 CB THR A 91 -0.247 20.312 -2.807 1.00 0.00 C ATOM 1377 OG1 THR A 91 0.463 20.710 -1.622 1.00 0.00 O ATOM 1378 CG2 THR A 91 -0.566 21.550 -3.639 1.00 0.00 C ATOM 0 H THR A 91 -0.215 18.509 -1.177 1.00 0.00 H new ATOM 0 HA THR A 91 -2.240 20.318 -1.996 1.00 0.00 H new ATOM 0 HB THR A 91 0.359 19.638 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.288 21.174 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.362 22.046 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.110 21.255 -4.536 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.178 22.235 -3.052 1.00 0.00 H new ATOM 1386 N GLN A 92 -1.599 17.661 -3.883 1.00 0.00 N ATOM 1387 CA GLN A 92 -2.092 16.765 -4.902 1.00 0.00 C ATOM 1388 C GLN A 92 -2.981 15.773 -4.168 1.00 0.00 C ATOM 1389 O GLN A 92 -2.639 14.604 -3.984 1.00 0.00 O ATOM 1390 CB GLN A 92 -0.936 16.022 -5.578 1.00 0.00 C ATOM 1391 CG GLN A 92 0.179 16.924 -6.077 1.00 0.00 C ATOM 1392 CD GLN A 92 1.313 16.147 -6.709 1.00 0.00 C ATOM 1393 OE1 GLN A 92 1.112 15.088 -7.311 1.00 0.00 O ATOM 1394 NE2 GLN A 92 2.513 16.635 -6.548 1.00 0.00 N ATOM 0 H GLN A 92 -0.784 17.301 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 92 -2.627 17.305 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.518 15.304 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.329 15.450 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.225 17.627 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.565 17.513 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.643 17.513 -6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.320 16.138 -6.925 1.00 0.00 H new ATOM 1403 N ASN A 93 -4.109 16.272 -3.732 1.00 0.00 N ATOM 1404 CA ASN A 93 -5.010 15.571 -2.804 1.00 0.00 C ATOM 1405 C ASN A 93 -5.674 14.323 -3.414 1.00 0.00 C ATOM 1406 O ASN A 93 -6.271 13.530 -2.699 1.00 0.00 O ATOM 1407 CB ASN A 93 -6.069 16.556 -2.299 1.00 0.00 C ATOM 1408 CG ASN A 93 -6.447 16.344 -0.841 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -7.354 15.618 -0.512 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -5.741 16.998 0.041 1.00 0.00 N ATOM 0 H ASN A 93 -4.449 17.193 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.404 15.204 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.698 17.573 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.963 16.464 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.950 16.902 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.980 17.605 -0.263 1.00 0.00 H new ATOM 1417 N PHE A 94 -5.506 14.135 -4.720 1.00 0.00 N ATOM 1418 CA PHE A 94 -6.123 13.025 -5.462 1.00 0.00 C ATOM 1419 C PHE A 94 -5.834 11.649 -4.823 1.00 0.00 C ATOM 1420 O PHE A 94 -6.751 10.885 -4.557 1.00 0.00 O ATOM 1421 CB PHE A 94 -5.662 13.041 -6.933 1.00 0.00 C ATOM 1422 CG PHE A 94 -6.251 11.936 -7.781 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -7.538 12.043 -8.283 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -5.518 10.789 -8.069 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -8.084 11.034 -9.053 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -6.059 9.778 -8.838 1.00 0.00 C ATOM 1427 CZ PHE A 94 -7.345 9.900 -9.330 1.00 0.00 C ATOM 0 H PHE A 94 -4.936 14.749 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.202 13.175 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.926 14.002 -7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.575 12.965 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.122 12.926 -8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.513 10.688 -7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.088 11.132 -9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.478 8.893 -9.055 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.772 9.110 -9.930 1.00 0.00 H new ATOM 1437 N LEU A 95 -4.565 11.362 -4.554 1.00 0.00 N ATOM 1438 CA LEU A 95 -4.173 10.063 -3.972 1.00 0.00 C ATOM 1439 C LEU A 95 -4.614 9.959 -2.525 1.00 0.00 C ATOM 1440 O LEU A 95 -4.916 8.872 -2.023 1.00 0.00 O ATOM 1441 CB LEU A 95 -2.657 9.875 -4.032 1.00 0.00 C ATOM 1442 CG LEU A 95 -2.024 9.686 -5.410 1.00 0.00 C ATOM 1443 CD1 LEU A 95 -0.531 9.704 -5.283 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -2.438 8.365 -6.028 1.00 0.00 C ATOM 0 H LEU A 95 -3.788 12.000 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.664 9.287 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.192 10.743 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.401 9.008 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.366 10.499 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.081 9.569 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.213 10.660 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.212 8.896 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.972 8.260 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.118 7.546 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.522 8.338 -6.138 1.00 0.00 H new ATOM 1456 N ILE A 96 -4.701 11.100 -1.890 1.00 0.00 N ATOM 1457 CA ILE A 96 -4.985 11.183 -0.475 1.00 0.00 C ATOM 1458 C ILE A 96 -6.452 10.829 -0.243 1.00 0.00 C ATOM 1459 O ILE A 96 -6.803 10.165 0.742 1.00 0.00 O ATOM 1460 CB ILE A 96 -4.719 12.621 0.065 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -3.467 13.251 -0.587 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -4.529 12.594 1.580 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -2.163 12.521 -0.346 1.00 0.00 C ATOM 0 H ILE A 96 -4.576 12.006 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.333 10.487 0.053 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.588 13.227 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.633 13.314 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.364 14.272 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.344 13.606 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.428 12.198 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.679 11.959 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.352 13.049 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.961 12.480 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.235 11.508 -0.741 1.00 0.00 H new ATOM 1475 N GLN A 97 -7.292 11.269 -1.172 1.00 0.00 N ATOM 1476 CA GLN A 97 -8.722 11.005 -1.135 1.00 0.00 C ATOM 1477 C GLN A 97 -9.030 9.641 -1.720 1.00 0.00 C ATOM 1478 O GLN A 97 -9.969 8.975 -1.287 1.00 0.00 O ATOM 1479 CB GLN A 97 -9.476 12.052 -1.949 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.286 13.468 -1.469 1.00 0.00 C ATOM 1481 CD GLN A 97 -9.967 14.488 -2.361 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -10.125 14.284 -3.557 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -10.342 15.602 -1.793 1.00 0.00 N ATOM 0 H GLN A 97 -6.997 11.822 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.037 11.040 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.155 11.987 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.539 11.814 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.678 13.559 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.220 13.690 -1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.195 15.739 -0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.782 16.335 -2.349 1.00 0.00 H new ATOM 1492 N LYS A 98 -8.221 9.229 -2.694 1.00 0.00 N ATOM 1493 CA LYS A 98 -8.434 7.990 -3.440 1.00 0.00 C ATOM 1494 C LYS A 98 -8.571 6.766 -2.541 1.00 0.00 C ATOM 1495 O LYS A 98 -9.489 5.957 -2.736 1.00 0.00 O ATOM 1496 CB LYS A 98 -7.332 7.772 -4.511 1.00 0.00 C ATOM 1497 CG LYS A 98 -7.469 6.493 -5.377 1.00 0.00 C ATOM 1498 CD LYS A 98 -8.550 6.556 -6.495 1.00 0.00 C ATOM 1499 CE LYS A 98 -9.935 6.896 -5.977 1.00 0.00 C ATOM 1500 NZ LYS A 98 -11.000 6.672 -6.964 1.00 0.00 N1+ ATOM 0 H LYS A 98 -7.394 9.748 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.389 8.109 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.322 8.637 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.365 7.745 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.505 6.283 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.698 5.653 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.254 7.300 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.588 5.595 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.140 6.296 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.952 7.941 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.869 7.151 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.705 7.054 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.181 5.652 -7.054 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.702 6.654 -1.554 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.728 5.514 -0.651 1.00 0.00 C ATOM 1516 C ILE A 99 -9.066 5.436 0.124 1.00 0.00 C ATOM 1517 O ILE A 99 -9.636 4.362 0.286 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.495 5.496 0.320 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.550 4.266 1.256 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -6.382 6.801 1.117 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.358 4.130 2.185 1.00 0.00 C ATOM 0 H ILE A 99 -6.970 7.336 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.653 4.619 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 99 -5.595 5.415 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.458 4.322 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.625 3.365 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.517 6.750 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.265 7.638 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.284 6.944 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.479 3.242 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.446 4.039 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.292 5.011 2.823 1.00 0.00 H new ATOM 1533 N THR A 100 -9.579 6.571 0.545 1.00 0.00 N ATOM 1534 CA THR A 100 -10.824 6.611 1.266 1.00 0.00 C ATOM 1535 C THR A 100 -12.038 6.496 0.332 1.00 0.00 C ATOM 1536 O THR A 100 -13.041 5.869 0.688 1.00 0.00 O ATOM 1537 CB THR A 100 -10.897 7.870 2.141 1.00 0.00 C ATOM 1538 OG1 THR A 100 -10.256 8.963 1.458 1.00 0.00 O ATOM 1539 CG2 THR A 100 -10.214 7.636 3.480 1.00 0.00 C ATOM 0 H THR A 100 -9.146 7.483 0.397 1.00 0.00 H new ATOM 0 HA THR A 100 -10.857 5.740 1.920 1.00 0.00 H new ATOM 0 HB THR A 100 -11.945 8.109 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.387 8.867 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.278 8.541 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.708 6.816 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.167 7.383 3.315 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.915 7.072 -0.866 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.975 7.023 -1.884 1.00 0.00 C ATOM 1549 C ASP A 101 -13.302 5.598 -2.243 1.00 0.00 C ATOM 1550 O ASP A 101 -14.458 5.211 -2.240 1.00 0.00 O ATOM 1551 CB ASP A 101 -12.590 7.841 -3.145 1.00 0.00 C ATOM 1552 CG ASP A 101 -13.486 7.582 -4.373 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -14.704 7.457 -4.250 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -12.951 7.487 -5.495 1.00 0.00 O1- ATOM 0 H ASP A 101 -11.083 7.584 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.867 7.481 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.629 8.902 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.558 7.613 -3.410 1.00 0.00 H new ATOM 1559 N GLU A 102 -12.283 4.798 -2.500 1.00 0.00 N ATOM 1560 CA GLU A 102 -12.528 3.422 -2.849 1.00 0.00 C ATOM 1561 C GLU A 102 -13.097 2.616 -1.687 1.00 0.00 C ATOM 1562 O GLU A 102 -14.195 2.126 -1.792 1.00 0.00 O ATOM 1563 CB GLU A 102 -11.314 2.725 -3.477 1.00 0.00 C ATOM 1564 CG GLU A 102 -10.920 3.274 -4.848 1.00 0.00 C ATOM 1565 CD GLU A 102 -12.119 3.428 -5.778 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -12.918 2.517 -5.895 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -12.272 4.512 -6.398 1.00 0.00 O1- ATOM 0 H GLU A 102 -11.301 5.074 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.294 3.458 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.464 2.820 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.528 1.660 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.434 4.241 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.190 2.607 -5.307 1.00 0.00 H new ATOM 1574 N VAL A 103 -12.384 2.574 -0.559 1.00 0.00 N ATOM 1575 CA VAL A 103 -12.746 1.706 0.593 1.00 0.00 C ATOM 1576 C VAL A 103 -14.230 1.767 1.019 1.00 0.00 C ATOM 1577 O VAL A 103 -14.926 0.761 0.961 1.00 0.00 O ATOM 1578 CB VAL A 103 -11.825 1.948 1.830 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -12.275 1.118 3.032 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -10.392 1.600 1.490 1.00 0.00 C ATOM 0 H VAL A 103 -11.544 3.131 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.581 0.698 0.213 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.896 3.004 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.612 1.310 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -13.295 1.392 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.239 0.059 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.759 1.773 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.331 0.551 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.052 2.225 0.664 1.00 0.00 H new ATOM 1590 N LEU A 104 -14.720 2.937 1.380 1.00 0.00 N ATOM 1591 CA LEU A 104 -16.079 3.037 1.940 1.00 0.00 C ATOM 1592 C LEU A 104 -17.167 2.787 0.880 1.00 0.00 C ATOM 1593 O LEU A 104 -18.264 2.301 1.183 1.00 0.00 O ATOM 1594 CB LEU A 104 -16.315 4.378 2.685 1.00 0.00 C ATOM 1595 CG LEU A 104 -15.459 4.673 3.959 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -15.507 3.529 4.957 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -14.019 5.049 3.628 1.00 0.00 C ATOM 0 H LEU A 104 -14.220 3.822 1.303 1.00 0.00 H new ATOM 0 HA LEU A 104 -16.159 2.241 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -16.146 5.188 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.366 4.419 2.972 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.916 5.544 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.898 3.778 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -16.537 3.364 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -15.120 2.623 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.472 5.243 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.543 4.229 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.010 5.944 3.006 1.00 0.00 H new ATOM 1609 N LYS A 105 -16.835 3.083 -0.344 1.00 0.00 N ATOM 1610 CA LYS A 105 -17.724 2.919 -1.487 1.00 0.00 C ATOM 1611 C LYS A 105 -17.732 1.450 -1.938 1.00 0.00 C ATOM 1612 O LYS A 105 -18.747 0.912 -2.400 1.00 0.00 O ATOM 1613 CB LYS A 105 -17.169 3.810 -2.584 1.00 0.00 C ATOM 1614 CG LYS A 105 -17.828 3.751 -3.952 1.00 0.00 C ATOM 1615 CD LYS A 105 -17.090 4.682 -4.923 1.00 0.00 C ATOM 1616 CE LYS A 105 -15.621 4.263 -5.100 1.00 0.00 C ATOM 1617 NZ LYS A 105 -14.840 5.242 -5.872 1.00 0.00 N1+ ATOM 0 H LYS A 105 -15.919 3.455 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 105 -18.751 3.190 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.218 4.841 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.114 3.566 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -17.812 2.729 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -18.875 4.046 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.591 4.671 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -17.135 5.706 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.164 4.132 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.581 3.296 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.825 5.072 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.063 5.144 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.080 6.204 -5.557 1.00 0.00 H new ATOM 1631 N LEU A 106 -16.610 0.812 -1.722 1.00 0.00 N ATOM 1632 CA LEU A 106 -16.322 -0.544 -2.153 1.00 0.00 C ATOM 1633 C LEU A 106 -17.148 -1.573 -1.371 1.00 0.00 C ATOM 1634 O LEU A 106 -17.198 -2.724 -1.758 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.812 -0.790 -1.970 1.00 0.00 C ATOM 1636 CG LEU A 106 -14.133 -1.865 -2.828 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -14.305 -1.562 -4.310 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -12.653 -1.916 -2.499 1.00 0.00 C ATOM 0 H LEU A 106 -15.832 1.238 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 106 -16.597 -0.661 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -14.298 0.154 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.643 -1.046 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 106 -14.599 -2.826 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.815 -2.337 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -15.367 -1.536 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.856 -0.595 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.171 -2.680 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.200 -0.947 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.523 -2.158 -1.444 1.00 0.00 H new ATOM 1650 N ARG A 107 -17.820 -1.134 -0.280 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.650 -2.018 0.596 1.00 0.00 C ATOM 1652 C ARG A 107 -19.583 -2.933 -0.222 1.00 0.00 C ATOM 1653 O ARG A 107 -19.766 -4.110 0.109 1.00 0.00 O ATOM 1654 CB ARG A 107 -19.545 -1.197 1.541 1.00 0.00 C ATOM 1655 CG ARG A 107 -20.271 -2.076 2.565 1.00 0.00 C ATOM 1656 CD ARG A 107 -21.663 -1.569 2.916 1.00 0.00 C ATOM 1657 NE ARG A 107 -21.701 -0.194 3.444 1.00 0.00 N ATOM 1658 CZ ARG A 107 -22.413 0.167 4.529 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -22.774 -0.758 5.423 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -22.635 1.464 4.787 1.00 0.00 N ATOM 0 H ARG A 107 -17.807 -0.160 0.023 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.937 -2.617 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.936 -0.460 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -20.279 -0.645 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.350 -3.090 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.673 -2.132 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -22.289 -1.619 2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -22.104 -2.240 3.654 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.159 0.523 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -22.510 -1.733 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.313 -0.489 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.265 2.179 4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.174 1.735 5.609 1.00 0.00 H new ATOM 1674 N ASN A 108 -20.152 -2.392 -1.300 1.00 0.00 N ATOM 1675 CA ASN A 108 -21.106 -3.136 -2.143 1.00 0.00 C ATOM 1676 C ASN A 108 -20.442 -4.358 -2.779 1.00 0.00 C ATOM 1677 O ASN A 108 -21.062 -5.409 -2.951 1.00 0.00 O ATOM 1678 CB ASN A 108 -21.718 -2.223 -3.216 1.00 0.00 C ATOM 1679 CG ASN A 108 -22.752 -2.936 -4.077 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -22.437 -3.492 -5.111 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -23.994 -2.920 -3.646 1.00 0.00 N ATOM 0 H ASN A 108 -19.972 -1.439 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.913 -3.490 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.184 -1.364 -2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -20.923 -1.837 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.726 -3.383 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.225 -2.444 -2.774 1.00 0.00 H new ATOM 1688 N ILE A 109 -19.154 -4.228 -3.016 1.00 0.00 N ATOM 1689 CA ILE A 109 -18.328 -5.267 -3.590 1.00 0.00 C ATOM 1690 C ILE A 109 -18.257 -6.476 -2.650 1.00 0.00 C ATOM 1691 O ILE A 109 -18.133 -7.638 -3.096 1.00 0.00 O ATOM 1692 CB ILE A 109 -16.908 -4.708 -4.007 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -16.969 -3.929 -5.351 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -15.825 -5.772 -4.059 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -17.828 -2.673 -5.352 1.00 0.00 C ATOM 0 H ILE A 109 -18.639 -3.372 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 109 -18.789 -5.617 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 109 -16.628 -4.017 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -15.954 -3.652 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -17.343 -4.602 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -14.880 -5.315 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -15.717 -6.230 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -16.100 -6.535 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -17.797 -2.212 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -18.857 -2.936 -5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -17.446 -1.971 -4.611 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.381 -6.217 -1.361 1.00 0.00 N ATOM 1708 CA LYS A 110 -18.420 -7.281 -0.396 1.00 0.00 C ATOM 1709 C LYS A 110 -19.802 -7.900 -0.425 1.00 0.00 C ATOM 1710 O LYS A 110 -19.932 -9.095 -0.570 1.00 0.00 O ATOM 1711 CB LYS A 110 -18.148 -6.780 1.013 1.00 0.00 C ATOM 1712 CG LYS A 110 -17.919 -7.912 2.009 1.00 0.00 C ATOM 1713 CD LYS A 110 -17.753 -7.407 3.424 1.00 0.00 C ATOM 1714 CE LYS A 110 -19.052 -6.859 3.997 1.00 0.00 C ATOM 1715 NZ LYS A 110 -18.860 -6.322 5.345 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.456 -5.279 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.647 -8.005 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -17.272 -6.131 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.990 -6.173 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.760 -8.604 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.031 -8.473 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.393 -8.218 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.992 -6.626 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.437 -6.076 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -19.802 -7.650 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.786 -6.177 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.301 -6.993 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.357 -5.414 5.288 1.00 0.00 H new ATOM 1729 N LEU A 111 -20.825 -7.036 -0.345 1.00 0.00 N ATOM 1730 CA LEU A 111 -22.252 -7.437 -0.298 1.00 0.00 C ATOM 1731 C LEU A 111 -22.611 -8.386 -1.434 1.00 0.00 C ATOM 1732 O LEU A 111 -23.293 -9.371 -1.219 1.00 0.00 O ATOM 1733 CB LEU A 111 -23.159 -6.201 -0.391 1.00 0.00 C ATOM 1734 CG LEU A 111 -22.957 -5.105 0.661 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -23.916 -3.952 0.403 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -23.152 -5.656 2.070 1.00 0.00 C ATOM 0 H LEU A 111 -20.690 -6.026 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 111 -22.406 -7.949 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -23.021 -5.754 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -24.195 -6.537 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.933 -4.738 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.765 -3.178 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.728 -3.537 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -24.943 -4.314 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -23.003 -4.857 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -24.162 -6.053 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -22.430 -6.452 2.252 1.00 0.00 H new ATOM 1748 N GLU A 112 -22.121 -8.085 -2.634 1.00 0.00 N ATOM 1749 CA GLU A 112 -22.386 -8.898 -3.823 1.00 0.00 C ATOM 1750 C GLU A 112 -21.838 -10.326 -3.611 1.00 0.00 C ATOM 1751 O GLU A 112 -22.438 -11.290 -3.979 1.00 0.00 O ATOM 1752 CB GLU A 112 -21.726 -8.221 -5.059 1.00 0.00 C ATOM 1753 CG GLU A 112 -22.218 -8.675 -6.457 1.00 0.00 C ATOM 1754 CD GLU A 112 -21.943 -10.129 -6.798 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -20.772 -10.459 -7.136 1.00 0.00 O ATOM 1756 OE2 GLU A 112 -22.887 -10.950 -6.720 1.00 0.00 O1- ATOM 0 H GLU A 112 -21.530 -7.273 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 112 -23.460 -8.971 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -21.881 -7.145 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -20.651 -8.393 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -23.292 -8.500 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.747 -8.046 -7.212 1.00 0.00 H new ATOM 1763 N HIS A 113 -20.748 -10.434 -2.949 1.00 0.00 N ATOM 1764 CA HIS A 113 -20.105 -11.728 -2.780 1.00 0.00 C ATOM 1765 C HIS A 113 -20.540 -12.410 -1.506 1.00 0.00 C ATOM 1766 O HIS A 113 -20.291 -13.582 -1.298 1.00 0.00 O ATOM 1767 CB HIS A 113 -18.594 -11.618 -2.969 1.00 0.00 C ATOM 1768 CG HIS A 113 -18.305 -11.153 -4.361 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -17.946 -9.860 -4.668 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -18.470 -11.782 -5.540 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -17.917 -9.719 -5.975 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -18.239 -10.868 -6.532 1.00 0.00 N ATOM 0 H HIS A 113 -20.263 -9.654 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 113 -20.445 -12.396 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -18.175 -10.919 -2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -18.122 -12.584 -2.790 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -17.736 -9.128 -3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -18.736 -12.820 -5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -17.670 -8.811 -6.504 1.00 0.00 H new ATOM 1781 N LEU A 114 -21.116 -11.618 -0.650 1.00 0.00 N ATOM 1782 CA LEU A 114 -21.651 -12.033 0.619 1.00 0.00 C ATOM 1783 C LEU A 114 -23.019 -12.753 0.455 1.00 0.00 C ATOM 1784 O LEU A 114 -23.359 -13.604 1.271 1.00 0.00 O ATOM 1785 CB LEU A 114 -21.704 -10.761 1.540 1.00 0.00 C ATOM 1786 CG LEU A 114 -22.430 -10.779 2.909 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -23.942 -10.706 2.738 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -22.017 -11.981 3.755 1.00 0.00 C ATOM 0 H LEU A 114 -21.232 -10.619 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 114 -21.013 -12.780 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -20.672 -10.467 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -22.158 -9.963 0.952 1.00 0.00 H new ATOM 0 HG LEU A 114 -22.119 -9.886 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -24.420 -10.721 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -24.205 -9.784 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -24.284 -11.561 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -22.548 -11.956 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -22.264 -12.901 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -20.943 -11.945 3.938 1.00 0.00 H new ATOM 1800 N LYS A 115 -23.789 -12.415 -0.580 1.00 0.00 N ATOM 1801 CA LYS A 115 -25.089 -13.057 -0.737 1.00 0.00 C ATOM 1802 C LYS A 115 -25.024 -14.168 -1.812 1.00 0.00 C ATOM 1803 O LYS A 115 -24.673 -13.853 -2.996 1.00 0.00 O ATOM 1804 CB LYS A 115 -26.281 -12.056 -1.006 1.00 0.00 C ATOM 1805 CG LYS A 115 -26.555 -11.683 -2.474 1.00 0.00 C ATOM 1806 CD LYS A 115 -25.521 -10.754 -3.076 1.00 0.00 C ATOM 1807 CE LYS A 115 -25.468 -10.921 -4.594 1.00 0.00 C ATOM 1808 NZ LYS A 115 -24.741 -12.162 -4.975 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -25.363 -15.305 -1.505 1.00 0.00 O1- ATOM 0 H LYS A 115 -23.547 -11.728 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 115 -25.317 -13.510 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -27.190 -12.491 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -26.085 -11.137 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -26.598 -12.596 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -27.535 -11.212 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.763 -9.721 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.541 -10.964 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -26.481 -10.953 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -24.976 -10.057 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -25.075 -12.489 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -23.721 -11.966 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.918 -12.900 -4.264 1.00 0.00 H new