USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 8 TYR OH : rot 30:sc= -0.0168 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 12 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-7.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -3.83 (180deg=-6.04!) USER MOD Single : A 21 SER OG : rot 17:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= -0.216 (180deg=-0.38) USER MOD Single : A 32 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.754 K(o=0.75,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= 0.924 (180deg=-0.317!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -99:sc= 0.86 USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0.798) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 9.451 0.958 -7.419 1.00 0.00 N ATOM 29 CA LEU A 3 8.075 0.515 -7.467 1.00 0.00 C ATOM 30 C LEU A 3 7.284 1.779 -7.162 1.00 0.00 C ATOM 31 O LEU A 3 7.085 2.137 -5.998 1.00 0.00 O ATOM 32 CB LEU A 3 7.855 -0.636 -6.460 1.00 0.00 C ATOM 33 CG LEU A 3 8.772 -1.855 -6.735 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.974 -2.713 -5.484 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.269 -2.722 -7.892 1.00 0.00 C ATOM 0 HA LEU A 3 7.763 0.092 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.038 -0.269 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.813 -0.954 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 3 9.736 -1.439 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.623 -3.556 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.434 -2.111 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.009 -3.084 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.949 -3.561 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.273 -3.099 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.226 -2.124 -8.803 1.00 0.00 H new ATOM 47 N VAL A 4 6.968 2.515 -8.224 1.00 0.00 N ATOM 48 CA VAL A 4 6.221 3.765 -8.208 1.00 0.00 C ATOM 49 C VAL A 4 5.030 3.540 -9.145 1.00 0.00 C ATOM 50 O VAL A 4 4.841 4.192 -10.178 1.00 0.00 O ATOM 51 CB VAL A 4 7.148 4.950 -8.545 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.392 6.287 -8.592 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.277 5.063 -7.498 1.00 0.00 C ATOM 0 H VAL A 4 7.241 2.239 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 4 5.829 4.040 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 4 7.561 4.751 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.088 7.090 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.615 6.239 -9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.936 6.481 -7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.923 5.904 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.843 5.221 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.863 4.144 -7.494 1.00 0.00 H new ATOM 63 N LEU A 5 4.266 2.518 -8.785 1.00 0.00 N ATOM 64 CA LEU A 5 2.942 2.193 -9.253 1.00 0.00 C ATOM 65 C LEU A 5 2.400 1.158 -8.281 1.00 0.00 C ATOM 66 O LEU A 5 3.084 0.189 -7.964 1.00 0.00 O ATOM 67 CB LEU A 5 2.960 1.648 -10.686 1.00 0.00 C ATOM 68 CG LEU A 5 4.021 0.558 -10.972 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.370 -0.659 -11.619 1.00 0.00 C ATOM 70 CD2 LEU A 5 5.129 1.084 -11.892 1.00 0.00 C ATOM 0 H LEU A 5 4.594 1.840 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 5 2.313 3.082 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.975 1.240 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.126 2.480 -11.370 1.00 0.00 H new ATOM 0 HG LEU A 5 4.464 0.275 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.129 -1.417 -11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.614 -1.067 -10.948 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.901 -0.365 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.858 0.294 -12.073 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.695 1.401 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.624 1.932 -11.418 1.00 0.00 H new ATOM 82 N VAL A 6 1.165 1.338 -7.826 1.00 0.00 N ATOM 83 CA VAL A 6 0.501 0.367 -6.966 1.00 0.00 C ATOM 84 C VAL A 6 -0.986 0.324 -7.329 1.00 0.00 C ATOM 85 O VAL A 6 -1.863 0.185 -6.491 1.00 0.00 O ATOM 86 CB VAL A 6 0.841 0.673 -5.489 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.454 2.095 -5.085 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.232 -0.329 -4.503 1.00 0.00 C ATOM 0 H VAL A 6 0.598 2.158 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 6 0.860 -0.650 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 6 1.925 0.575 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.713 2.259 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.991 2.809 -5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.619 2.232 -5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.511 -0.054 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.854 -0.318 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.605 -1.329 -4.724 1.00 0.00 H new ATOM 98 N LYS A 7 -1.307 0.402 -8.617 1.00 0.00 N ATOM 99 CA LYS A 7 -2.683 0.271 -9.090 1.00 0.00 C ATOM 100 C LYS A 7 -2.833 -1.014 -9.918 1.00 0.00 C ATOM 101 O LYS A 7 -3.687 -1.069 -10.803 1.00 0.00 O ATOM 102 CB LYS A 7 -3.032 1.521 -9.929 1.00 0.00 C ATOM 103 CG LYS A 7 -2.059 1.773 -11.093 1.00 0.00 C ATOM 104 CD LYS A 7 -2.734 2.413 -12.313 1.00 0.00 C ATOM 105 CE LYS A 7 -1.612 2.778 -13.284 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.082 3.369 -14.553 1.00 0.00 N ATOM 0 H LYS A 7 -0.625 0.557 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.371 0.202 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.041 1.411 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.040 2.395 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.252 2.420 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.605 0.828 -11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.438 1.721 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.301 3.298 -12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.938 3.482 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.032 1.882 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.265 3.589 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.702 2.693 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.611 4.242 -14.354 1.00 0.00 H new ATOM 120 N TYR A 8 -2.147 -2.098 -9.542 1.00 0.00 N ATOM 121 CA TYR A 8 -2.271 -3.395 -10.215 1.00 0.00 C ATOM 122 C TYR A 8 -2.147 -4.530 -9.202 1.00 0.00 C ATOM 123 O TYR A 8 -1.574 -5.577 -9.507 1.00 0.00 O ATOM 124 CB TYR A 8 -1.174 -3.563 -11.284 1.00 0.00 C ATOM 125 CG TYR A 8 -1.199 -2.534 -12.393 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.192 -2.619 -13.386 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.240 -1.507 -12.440 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.245 -1.666 -14.416 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.286 -0.554 -13.471 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.294 -0.623 -14.457 1.00 0.00 C ATOM 131 OH TYR A 8 -1.340 0.306 -15.447 1.00 0.00 O ATOM 0 H TYR A 8 -1.490 -2.101 -8.762 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.250 -3.430 -10.693 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.201 -3.523 -10.794 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.268 -4.555 -11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.916 -3.420 -13.356 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.530 -1.451 -11.685 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.011 -1.731 -15.175 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.452 0.234 -13.509 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.268 0.427 -15.739 1.00 0.00 H new ATOM 141 N GLY A 9 -2.704 -4.343 -8.004 1.00 0.00 N ATOM 142 CA GLY A 9 -2.503 -5.249 -6.889 1.00 0.00 C ATOM 143 C GLY A 9 -1.018 -5.414 -6.629 1.00 0.00 C ATOM 144 O GLY A 9 -0.349 -4.548 -6.059 1.00 0.00 O ATOM 0 H GLY A 9 -3.310 -3.552 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.997 -4.861 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.954 -6.217 -7.108 1.00 0.00 H new ATOM 148 N THR A 10 -0.484 -6.517 -7.113 1.00 0.00 N ATOM 149 CA THR A 10 0.599 -7.226 -6.463 1.00 0.00 C ATOM 150 C THR A 10 1.973 -6.817 -6.995 1.00 0.00 C ATOM 151 O THR A 10 2.887 -7.642 -7.048 1.00 0.00 O ATOM 152 CB THR A 10 0.336 -8.738 -6.569 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.320 -9.091 -7.778 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.557 -9.221 -5.418 1.00 0.00 C ATOM 0 H THR A 10 -0.795 -6.952 -7.982 1.00 0.00 H new ATOM 0 HA THR A 10 0.623 -6.951 -5.409 1.00 0.00 H new ATOM 0 HB THR A 10 1.318 -9.210 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.464 -10.060 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.728 -10.293 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.066 -9.017 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.512 -8.696 -5.453 1.00 0.00 H new ATOM 162 N ASP A 11 2.186 -5.531 -7.288 1.00 0.00 N ATOM 163 CA ASP A 11 3.404 -5.102 -7.981 1.00 0.00 C ATOM 164 C ASP A 11 4.140 -4.011 -7.196 1.00 0.00 C ATOM 165 O ASP A 11 4.722 -3.091 -7.763 1.00 0.00 O ATOM 166 CB ASP A 11 3.010 -4.643 -9.396 1.00 0.00 C ATOM 167 CG ASP A 11 4.168 -4.543 -10.396 1.00 0.00 C ATOM 168 OD1 ASP A 11 5.201 -5.242 -10.268 1.00 0.00 O ATOM 169 OD2 ASP A 11 3.950 -3.938 -11.475 1.00 0.00 O ATOM 0 H ASP A 11 1.539 -4.776 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 11 4.106 -5.932 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.268 -5.336 -9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.528 -3.668 -9.323 1.00 0.00 H new ATOM 174 N HIS A 12 4.149 -4.139 -5.865 1.00 0.00 N ATOM 175 CA HIS A 12 4.883 -3.296 -4.921 1.00 0.00 C ATOM 176 C HIS A 12 4.986 -4.059 -3.584 1.00 0.00 C ATOM 177 O HIS A 12 4.352 -5.102 -3.449 1.00 0.00 O ATOM 178 CB HIS A 12 4.206 -1.910 -4.828 1.00 0.00 C ATOM 179 CG HIS A 12 3.278 -1.709 -3.660 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.458 -2.655 -3.088 1.00 0.00 N ATOM 181 CD2 HIS A 12 3.181 -0.570 -2.907 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.903 -2.108 -2.001 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.311 -0.844 -1.851 1.00 0.00 N ATOM 0 H HIS A 12 3.617 -4.871 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 12 5.902 -3.093 -5.250 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.985 -1.149 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.645 -1.739 -5.747 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.302 -3.603 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.684 0.367 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.220 -2.617 -1.337 1.00 0.00 H new ATOM 191 N PRO A 13 5.776 -3.629 -2.590 1.00 0.00 N ATOM 192 CA PRO A 13 5.931 -4.379 -1.338 1.00 0.00 C ATOM 193 C PRO A 13 4.758 -4.188 -0.379 1.00 0.00 C ATOM 194 O PRO A 13 4.071 -3.203 -0.531 1.00 0.00 O ATOM 195 CB PRO A 13 7.199 -3.784 -0.751 1.00 0.00 C ATOM 196 CG PRO A 13 7.306 -2.355 -1.278 1.00 0.00 C ATOM 197 CD PRO A 13 6.560 -2.404 -2.601 1.00 0.00 C ATOM 0 HA PRO A 13 5.972 -5.455 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.160 -3.792 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.071 -4.369 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.855 -1.639 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.345 -2.055 -1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.916 -1.532 -2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.257 -2.397 -3.439 1.00 0.00 H new ATOM 205 N VAL A 14 4.569 -5.079 0.615 1.00 0.00 N ATOM 206 CA VAL A 14 3.728 -5.024 1.813 1.00 0.00 C ATOM 207 C VAL A 14 3.592 -6.461 2.335 1.00 0.00 C ATOM 208 O VAL A 14 3.819 -6.710 3.511 1.00 0.00 O ATOM 209 CB VAL A 14 2.415 -4.250 1.592 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.220 -4.730 2.410 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.603 -2.776 1.984 1.00 0.00 C ATOM 0 H VAL A 14 5.071 -5.966 0.585 1.00 0.00 H new ATOM 0 HA VAL A 14 4.192 -4.428 2.599 1.00 0.00 H new ATOM 0 HB VAL A 14 2.199 -4.410 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.350 -4.117 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.006 -5.771 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.449 -4.646 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.670 -2.235 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.885 -2.712 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.388 -2.334 1.371 1.00 0.00 H new ATOM 221 N GLU A 15 3.499 -7.473 1.464 1.00 0.00 N ATOM 222 CA GLU A 15 3.411 -8.871 1.948 1.00 0.00 C ATOM 223 C GLU A 15 4.350 -9.839 1.242 1.00 0.00 C ATOM 224 O GLU A 15 4.522 -10.961 1.699 1.00 0.00 O ATOM 225 CB GLU A 15 1.950 -9.364 2.096 1.00 0.00 C ATOM 226 CG GLU A 15 1.157 -8.525 3.126 1.00 0.00 C ATOM 227 CD GLU A 15 -0.057 -9.183 3.795 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.221 -10.405 3.656 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.819 -8.460 4.475 1.00 0.00 O ATOM 0 H GLU A 15 3.482 -7.365 0.450 1.00 0.00 H new ATOM 0 HA GLU A 15 3.802 -8.855 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.451 -9.316 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.950 -10.410 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.847 -8.217 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.815 -7.617 2.628 1.00 0.00 H new ATOM 236 N LYS A 16 5.120 -9.384 0.257 1.00 0.00 N ATOM 237 CA LYS A 16 6.021 -10.234 -0.502 1.00 0.00 C ATOM 238 C LYS A 16 7.167 -9.437 -1.069 1.00 0.00 C ATOM 239 O LYS A 16 8.263 -9.591 -0.562 1.00 0.00 O ATOM 240 CB LYS A 16 5.228 -10.950 -1.591 1.00 0.00 C ATOM 241 CG LYS A 16 5.829 -12.335 -1.859 1.00 0.00 C ATOM 242 CD LYS A 16 5.306 -13.353 -0.829 1.00 0.00 C ATOM 243 CE LYS A 16 5.644 -14.798 -1.202 1.00 0.00 C ATOM 244 NZ LYS A 16 4.804 -15.327 -2.299 1.00 0.00 N ATOM 0 H LYS A 16 5.133 -8.407 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 16 6.461 -10.982 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.186 -11.050 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.237 -10.358 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.572 -12.662 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.917 -12.283 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.731 -13.126 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.225 -13.249 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.692 -14.855 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.524 -15.431 -0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.080 -16.308 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.804 -15.302 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.936 -14.744 -3.150 1.00 0.00 H new ATOM 258 N LEU A 17 6.918 -8.493 -1.976 1.00 0.00 N ATOM 259 CA LEU A 17 7.921 -7.643 -2.612 1.00 0.00 C ATOM 260 C LEU A 17 8.804 -6.968 -1.548 1.00 0.00 C ATOM 261 O LEU A 17 9.995 -6.754 -1.731 1.00 0.00 O ATOM 262 CB LEU A 17 7.270 -6.673 -3.621 1.00 0.00 C ATOM 263 CG LEU A 17 7.768 -6.929 -5.056 1.00 0.00 C ATOM 264 CD1 LEU A 17 6.901 -6.157 -6.053 1.00 0.00 C ATOM 265 CD2 LEU A 17 9.244 -6.534 -5.195 1.00 0.00 C ATOM 0 H LEU A 17 5.972 -8.292 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 17 8.596 -8.256 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.186 -6.784 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.494 -5.645 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 17 7.685 -7.994 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.259 -6.342 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.866 -6.488 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.960 -5.090 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.577 -6.723 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.360 -5.475 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.845 -7.124 -4.503 1.00 0.00 H new ATOM 277 N LYS A 18 8.224 -6.731 -0.368 1.00 0.00 N ATOM 278 CA LYS A 18 8.862 -6.273 0.866 1.00 0.00 C ATOM 279 C LYS A 18 9.978 -7.200 1.361 1.00 0.00 C ATOM 280 O LYS A 18 11.058 -6.739 1.683 1.00 0.00 O ATOM 281 CB LYS A 18 7.815 -6.090 1.970 1.00 0.00 C ATOM 282 CG LYS A 18 6.962 -7.343 2.166 1.00 0.00 C ATOM 283 CD LYS A 18 7.253 -7.982 3.496 1.00 0.00 C ATOM 284 CE LYS A 18 6.652 -9.361 3.571 1.00 0.00 C ATOM 285 NZ LYS A 18 5.511 -9.439 4.482 1.00 0.00 N ATOM 0 H LYS A 18 7.221 -6.865 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 18 9.330 -5.318 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.315 -5.842 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.170 -5.248 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.905 -7.083 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.161 -8.054 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.331 -8.042 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.852 -7.362 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.335 -9.668 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.417 -10.067 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.860 -10.183 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.847 -9.664 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.014 -8.525 4.495 1.00 0.00 H new ATOM 299 N ILE A 19 9.730 -8.506 1.427 1.00 0.00 N ATOM 300 CA ILE A 19 10.689 -9.537 1.810 1.00 0.00 C ATOM 301 C ILE A 19 11.793 -9.626 0.736 1.00 0.00 C ATOM 302 O ILE A 19 12.768 -10.359 0.887 1.00 0.00 O ATOM 303 CB ILE A 19 9.898 -10.854 2.080 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.628 -11.008 3.587 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.504 -12.187 1.603 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.437 -11.949 3.806 1.00 0.00 C ATOM 0 H ILE A 19 8.812 -8.891 1.204 1.00 0.00 H new ATOM 0 HA ILE A 19 11.217 -9.307 2.735 1.00 0.00 H new ATOM 0 HB ILE A 19 9.007 -10.705 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.513 -11.403 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.421 -10.034 4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.834 -13.006 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.637 -12.160 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.470 -12.340 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.249 -12.055 4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.553 -11.535 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.662 -12.926 3.378 1.00 0.00 H new ATOM 318 N ARG A 20 11.637 -8.924 -0.394 1.00 0.00 N ATOM 319 CA ARG A 20 12.646 -8.824 -1.442 1.00 0.00 C ATOM 320 C ARG A 20 13.357 -7.460 -1.436 1.00 0.00 C ATOM 321 O ARG A 20 14.483 -7.378 -1.932 1.00 0.00 O ATOM 322 CB ARG A 20 12.043 -9.170 -2.820 1.00 0.00 C ATOM 323 CG ARG A 20 10.748 -10.011 -2.885 1.00 0.00 C ATOM 324 CD ARG A 20 10.534 -11.295 -2.066 1.00 0.00 C ATOM 325 NE ARG A 20 11.805 -11.858 -1.581 1.00 0.00 N ATOM 326 CZ ARG A 20 12.771 -12.347 -2.353 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.513 -12.746 -3.592 1.00 0.00 N ATOM 328 NH2 ARG A 20 14.008 -12.372 -1.881 1.00 0.00 N ATOM 0 H ARG A 20 10.787 -8.401 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 20 13.418 -9.563 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.851 -8.231 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.807 -9.699 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.931 -9.339 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.612 -10.286 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.885 -11.080 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.020 -12.035 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 20 11.957 -11.874 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.565 -12.679 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.263 -13.119 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.203 -12.021 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.765 -12.743 -2.455 1.00 0.00 H new ATOM 342 N SER A 21 12.755 -6.401 -0.887 1.00 0.00 N ATOM 343 CA SER A 21 13.354 -5.090 -0.647 1.00 0.00 C ATOM 344 C SER A 21 12.456 -4.284 0.303 1.00 0.00 C ATOM 345 O SER A 21 11.562 -3.568 -0.149 1.00 0.00 O ATOM 346 CB SER A 21 13.543 -4.320 -1.966 1.00 0.00 C ATOM 347 OG SER A 21 14.625 -4.835 -2.721 1.00 0.00 O ATOM 0 H SER A 21 11.782 -6.440 -0.582 1.00 0.00 H new ATOM 0 HA SER A 21 14.335 -5.234 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.628 -4.377 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.718 -3.266 -1.751 1.00 0.00 H new ATOM 0 HG SER A 21 14.854 -5.731 -2.396 1.00 0.00 H new ATOM 353 N ALA A 22 12.677 -4.410 1.612 1.00 0.00 N ATOM 354 CA ALA A 22 12.135 -3.569 2.680 1.00 0.00 C ATOM 355 C ALA A 22 12.832 -3.906 3.997 1.00 0.00 C ATOM 356 O ALA A 22 13.571 -4.890 4.091 1.00 0.00 O ATOM 357 CB ALA A 22 10.622 -3.788 2.868 1.00 0.00 C ATOM 0 H ALA A 22 13.277 -5.149 1.978 1.00 0.00 H new ATOM 0 HA ALA A 22 12.308 -2.530 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.258 -3.145 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.101 -3.543 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.434 -4.831 3.125 1.00 0.00 H new ATOM 363 N LYS A 23 12.518 -3.133 5.037 1.00 0.00 N ATOM 364 CA LYS A 23 12.819 -3.415 6.434 1.00 0.00 C ATOM 365 C LYS A 23 11.645 -2.926 7.267 1.00 0.00 C ATOM 366 O LYS A 23 10.659 -2.419 6.726 1.00 0.00 O ATOM 367 CB LYS A 23 14.134 -2.727 6.850 1.00 0.00 C ATOM 368 CG LYS A 23 15.099 -3.616 7.651 1.00 0.00 C ATOM 369 CD LYS A 23 15.971 -4.500 6.743 1.00 0.00 C ATOM 370 CE LYS A 23 17.148 -3.711 6.160 1.00 0.00 C ATOM 371 NZ LYS A 23 18.281 -3.543 7.099 1.00 0.00 N ATOM 0 H LYS A 23 12.022 -2.250 4.918 1.00 0.00 H new ATOM 0 HA LYS A 23 12.959 -4.485 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.644 -2.377 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.895 -1.846 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.742 -2.987 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.527 -4.249 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.347 -5.350 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.364 -4.903 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.504 -4.218 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.796 -2.727 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.038 -3.001 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.958 -3.033 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.644 -4.477 7.376 1.00 0.00 H new ATOM 385 N ALA A 24 11.783 -3.034 8.582 1.00 0.00 N ATOM 386 CA ALA A 24 10.841 -2.431 9.517 1.00 0.00 C ATOM 387 C ALA A 24 10.860 -0.906 9.381 1.00 0.00 C ATOM 388 O ALA A 24 9.865 -0.217 9.582 1.00 0.00 O ATOM 389 CB ALA A 24 11.207 -2.814 10.954 1.00 0.00 C ATOM 0 H ALA A 24 12.547 -3.540 9.030 1.00 0.00 H new ATOM 0 HA ALA A 24 9.842 -2.801 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.497 -2.358 11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.173 -3.898 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.212 -2.459 11.180 1.00 0.00 H new ATOM 395 N GLU A 25 12.023 -0.359 9.037 1.00 0.00 N ATOM 396 CA GLU A 25 12.290 1.065 8.864 1.00 0.00 C ATOM 397 C GLU A 25 11.923 1.563 7.480 1.00 0.00 C ATOM 398 O GLU A 25 12.602 2.426 6.909 1.00 0.00 O ATOM 399 CB GLU A 25 13.718 1.456 9.233 1.00 0.00 C ATOM 400 CG GLU A 25 14.697 0.416 8.712 1.00 0.00 C ATOM 401 CD GLU A 25 16.124 0.660 9.157 1.00 0.00 C ATOM 402 OE1 GLU A 25 16.389 0.352 10.341 1.00 0.00 O ATOM 403 OE2 GLU A 25 16.948 1.043 8.299 1.00 0.00 O ATOM 0 H GLU A 25 12.850 -0.930 8.862 1.00 0.00 H new ATOM 0 HA GLU A 25 11.634 1.568 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.956 2.433 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.811 1.544 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.382 -0.571 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.660 0.406 7.623 1.00 0.00 H new ATOM 410 N ASP A 26 10.814 1.071 6.947 1.00 0.00 N ATOM 411 CA ASP A 26 10.395 1.467 5.619 1.00 0.00 C ATOM 412 C ASP A 26 8.989 2.075 5.647 1.00 0.00 C ATOM 413 O ASP A 26 8.377 2.175 6.720 1.00 0.00 O ATOM 414 CB ASP A 26 10.552 0.273 4.676 1.00 0.00 C ATOM 415 CG ASP A 26 11.152 0.695 3.340 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.771 1.764 2.804 1.00 0.00 O ATOM 417 OD2 ASP A 26 12.026 -0.044 2.833 1.00 0.00 O ATOM 0 H ASP A 26 10.197 0.404 7.411 1.00 0.00 H new ATOM 0 HA ASP A 26 11.032 2.263 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.189 -0.479 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.580 -0.192 4.510 1.00 0.00 H new ATOM 422 N LYS A 27 8.469 2.514 4.498 1.00 0.00 N ATOM 423 CA LYS A 27 7.177 3.197 4.392 1.00 0.00 C ATOM 424 C LYS A 27 6.509 2.809 3.079 1.00 0.00 C ATOM 425 O LYS A 27 7.192 2.716 2.060 1.00 0.00 O ATOM 426 CB LYS A 27 7.341 4.727 4.513 1.00 0.00 C ATOM 427 CG LYS A 27 8.397 5.339 3.574 1.00 0.00 C ATOM 428 CD LYS A 27 9.789 5.449 4.204 1.00 0.00 C ATOM 429 CE LYS A 27 10.811 5.667 3.091 1.00 0.00 C ATOM 430 NZ LYS A 27 12.121 6.079 3.624 1.00 0.00 N ATOM 0 H LYS A 27 8.941 2.403 3.601 1.00 0.00 H new ATOM 0 HA LYS A 27 6.539 2.883 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.379 5.199 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.606 4.970 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.463 4.732 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.067 6.332 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.819 6.277 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.025 4.543 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.925 4.747 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.443 6.428 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.500 6.859 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.011 6.396 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.778 5.274 3.591 1.00 0.00 H new ATOM 444 N ILE A 28 5.214 2.482 3.109 1.00 0.00 N ATOM 445 CA ILE A 28 4.491 1.990 1.943 1.00 0.00 C ATOM 446 C ILE A 28 3.013 2.381 2.065 1.00 0.00 C ATOM 447 O ILE A 28 2.508 2.560 3.176 1.00 0.00 O ATOM 448 CB ILE A 28 4.651 0.455 1.812 1.00 0.00 C ATOM 449 CG1 ILE A 28 6.082 -0.117 2.014 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.183 0.072 0.399 1.00 0.00 C ATOM 451 CD1 ILE A 28 6.088 -1.625 2.236 1.00 0.00 C ATOM 0 H ILE A 28 4.639 2.553 3.949 1.00 0.00 H new ATOM 0 HA ILE A 28 4.904 2.442 1.041 1.00 0.00 H new ATOM 0 HB ILE A 28 4.062 0.025 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.690 0.120 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.547 0.374 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.279 -1.005 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.140 0.362 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.797 0.587 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.114 -1.969 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.505 -1.864 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.650 -2.122 1.370 1.00 0.00 H new ATOM 463 N VAL A 29 2.320 2.469 0.925 1.00 0.00 N ATOM 464 CA VAL A 29 0.895 2.779 0.799 1.00 0.00 C ATOM 465 C VAL A 29 0.316 2.053 -0.430 1.00 0.00 C ATOM 466 O VAL A 29 1.024 1.912 -1.427 1.00 0.00 O ATOM 467 CB VAL A 29 0.673 4.306 0.710 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.791 4.670 0.387 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.034 4.989 2.035 1.00 0.00 C ATOM 0 H VAL A 29 2.763 2.318 0.019 1.00 0.00 H new ATOM 0 HA VAL A 29 0.371 2.427 1.687 1.00 0.00 H new ATOM 0 HB VAL A 29 1.319 4.653 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.894 5.754 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.072 4.233 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.444 4.280 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.869 6.063 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.408 4.590 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.082 4.800 2.268 1.00 0.00 H new ATOM 479 N LEU A 30 -0.962 1.638 -0.394 1.00 0.00 N ATOM 480 CA LEU A 30 -1.655 0.908 -1.472 1.00 0.00 C ATOM 481 C LEU A 30 -2.730 1.783 -2.109 1.00 0.00 C ATOM 482 O LEU A 30 -3.417 2.486 -1.371 1.00 0.00 O ATOM 483 CB LEU A 30 -2.352 -0.386 -0.962 1.00 0.00 C ATOM 484 CG LEU A 30 -2.003 -0.971 0.418 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.944 -2.148 0.725 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.572 -1.492 0.486 1.00 0.00 C ATOM 0 H LEU A 30 -1.562 1.807 0.413 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.885 0.641 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.425 -0.197 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.161 -1.166 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.114 -0.164 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.699 -2.564 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.976 -1.797 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.825 -2.918 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.378 -1.894 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.436 -2.279 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.122 -0.677 0.282 1.00 0.00 H new ATOM 498 N ILE A 31 -2.952 1.682 -3.428 1.00 0.00 N ATOM 499 CA ILE A 31 -4.010 2.419 -4.126 1.00 0.00 C ATOM 500 C ILE A 31 -4.790 1.482 -5.054 1.00 0.00 C ATOM 501 O ILE A 31 -4.415 0.328 -5.193 1.00 0.00 O ATOM 502 CB ILE A 31 -3.449 3.707 -4.779 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.138 3.481 -6.269 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.290 4.375 -4.003 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.641 4.718 -7.005 1.00 0.00 C ATOM 0 H ILE A 31 -2.399 1.083 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.751 2.784 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.247 4.447 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.387 2.696 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.038 3.116 -6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.963 5.268 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.632 4.652 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.457 3.677 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.447 4.467 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.398 5.500 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.721 5.073 -6.540 1.00 0.00 H new ATOM 517 N GLN A 32 -5.848 1.967 -5.707 1.00 0.00 N ATOM 518 CA GLN A 32 -6.680 1.311 -6.726 1.00 0.00 C ATOM 519 C GLN A 32 -6.786 -0.201 -6.517 1.00 0.00 C ATOM 520 O GLN A 32 -7.423 -0.627 -5.565 1.00 0.00 O ATOM 521 CB GLN A 32 -6.226 1.683 -8.144 1.00 0.00 C ATOM 522 CG GLN A 32 -6.141 3.196 -8.384 1.00 0.00 C ATOM 523 CD GLN A 32 -7.117 3.664 -9.447 1.00 0.00 C ATOM 524 OE1 GLN A 32 -6.868 3.465 -10.635 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.217 4.278 -9.057 1.00 0.00 N ATOM 0 H GLN A 32 -6.177 2.915 -5.521 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.693 1.694 -6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.249 1.238 -8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.919 1.248 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.343 3.722 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.126 3.458 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.393 4.427 -8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.892 4.604 -9.749 1.00 0.00 H new ATOM 534 N ASN A 33 -6.154 -1.020 -7.367 1.00 0.00 N ATOM 535 CA ASN A 33 -6.154 -2.474 -7.217 1.00 0.00 C ATOM 536 C ASN A 33 -5.086 -2.939 -6.237 1.00 0.00 C ATOM 537 O ASN A 33 -5.245 -3.983 -5.623 1.00 0.00 O ATOM 538 CB ASN A 33 -5.942 -3.183 -8.559 1.00 0.00 C ATOM 539 CG ASN A 33 -6.934 -2.706 -9.602 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.117 -3.018 -9.538 1.00 0.00 O ATOM 541 ND2 ASN A 33 -6.504 -1.874 -10.534 1.00 0.00 N ATOM 0 H ASN A 33 -5.629 -0.690 -8.177 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.136 -2.739 -6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.927 -3.001 -8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.045 -4.260 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.160 -1.484 -11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.517 -1.622 -10.577 1.00 0.00 H new ATOM 548 N GLY A 34 -4.009 -2.168 -6.058 1.00 0.00 N ATOM 549 CA GLY A 34 -3.001 -2.333 -5.012 1.00 0.00 C ATOM 550 C GLY A 34 -3.586 -2.631 -3.636 1.00 0.00 C ATOM 551 O GLY A 34 -2.941 -3.290 -2.823 1.00 0.00 O ATOM 0 H GLY A 34 -3.809 -1.375 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.328 -3.143 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.400 -1.425 -4.953 1.00 0.00 H new ATOM 555 N VAL A 35 -4.811 -2.178 -3.364 1.00 0.00 N ATOM 556 CA VAL A 35 -5.529 -2.487 -2.131 1.00 0.00 C ATOM 557 C VAL A 35 -5.615 -4.006 -1.836 1.00 0.00 C ATOM 558 O VAL A 35 -5.782 -4.373 -0.673 1.00 0.00 O ATOM 559 CB VAL A 35 -6.907 -1.812 -2.164 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.798 -0.288 -2.353 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.830 -2.423 -3.232 1.00 0.00 C ATOM 0 H VAL A 35 -5.336 -1.580 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.959 -2.081 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.358 -1.999 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.797 0.149 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.229 0.141 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.292 -0.073 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.793 -1.912 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.374 -2.308 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.978 -3.482 -3.022 1.00 0.00 H new ATOM 571 N PHE A 36 -5.409 -4.891 -2.829 1.00 0.00 N ATOM 572 CA PHE A 36 -5.298 -6.341 -2.639 1.00 0.00 C ATOM 573 C PHE A 36 -4.220 -6.731 -1.622 1.00 0.00 C ATOM 574 O PHE A 36 -4.310 -7.789 -1.006 1.00 0.00 O ATOM 575 CB PHE A 36 -5.034 -7.051 -3.985 1.00 0.00 C ATOM 576 CG PHE A 36 -6.249 -7.579 -4.732 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.120 -6.701 -5.405 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.481 -8.967 -4.806 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.215 -7.195 -6.132 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.546 -9.469 -5.574 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.404 -8.581 -6.250 1.00 0.00 C ATOM 0 H PHE A 36 -5.314 -4.608 -3.804 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.255 -6.670 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.509 -6.355 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.359 -7.887 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.944 -5.636 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.837 -9.649 -4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.909 -6.511 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.706 -10.535 -5.645 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.208 -8.966 -6.860 1.00 0.00 H new ATOM 591 N TRP A 37 -3.208 -5.894 -1.397 1.00 0.00 N ATOM 592 CA TRP A 37 -2.187 -6.176 -0.395 1.00 0.00 C ATOM 593 C TRP A 37 -2.744 -6.127 1.037 1.00 0.00 C ATOM 594 O TRP A 37 -2.082 -6.605 1.959 1.00 0.00 O ATOM 595 CB TRP A 37 -1.029 -5.189 -0.507 1.00 0.00 C ATOM 596 CG TRP A 37 -0.105 -5.398 -1.650 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.028 -4.632 -2.756 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.884 -6.448 -1.806 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.889 -5.187 -3.622 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.505 -6.298 -3.075 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.291 -7.531 -1.004 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.484 -7.197 -3.523 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.291 -8.420 -1.438 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.900 -8.243 -2.689 1.00 0.00 C ATOM 0 H TRP A 37 -3.075 -5.015 -1.897 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.835 -7.188 -0.593 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.441 -4.182 -0.578 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.450 -5.232 0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.593 -3.729 -2.935 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.089 -4.823 -4.553 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.828 -7.682 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.915 -7.083 -4.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.591 -9.242 -0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.687 -8.911 -3.008 1.00 0.00 H new ATOM 615 N ALA A 38 -3.936 -5.560 1.253 1.00 0.00 N ATOM 616 CA ALA A 38 -4.637 -5.599 2.530 1.00 0.00 C ATOM 617 C ALA A 38 -5.537 -6.822 2.609 1.00 0.00 C ATOM 618 O ALA A 38 -6.616 -6.728 3.196 1.00 0.00 O ATOM 619 CB ALA A 38 -5.409 -4.285 2.716 1.00 0.00 C ATOM 0 H ALA A 38 -4.445 -5.053 0.529 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.923 -5.690 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.937 -4.305 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.711 -3.448 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.128 -4.168 1.905 1.00 0.00 H new ATOM 625 N LEU A 39 -5.061 -7.963 2.087 1.00 0.00 N ATOM 626 CA LEU A 39 -5.756 -9.243 2.017 1.00 0.00 C ATOM 627 C LEU A 39 -4.868 -10.320 1.372 1.00 0.00 C ATOM 628 O LEU A 39 -5.239 -10.990 0.408 1.00 0.00 O ATOM 629 CB LEU A 39 -7.173 -9.081 1.436 1.00 0.00 C ATOM 630 CG LEU A 39 -7.390 -8.166 0.207 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.370 -8.939 -1.115 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.709 -7.404 0.374 1.00 0.00 C ATOM 0 H LEU A 39 -4.127 -8.012 1.681 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.936 -9.623 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.534 -10.075 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.814 -8.712 2.236 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.559 -7.462 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.527 -8.248 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.406 -9.433 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.163 -9.687 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.867 -6.757 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.532 -8.114 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.667 -6.798 1.279 1.00 0.00 H new ATOM 644 N GLU A 40 -3.673 -10.509 1.943 1.00 0.00 N ATOM 645 CA GLU A 40 -2.656 -11.500 1.578 1.00 0.00 C ATOM 646 C GLU A 40 -2.295 -12.358 2.817 1.00 0.00 C ATOM 647 O GLU A 40 -3.032 -12.347 3.806 1.00 0.00 O ATOM 648 CB GLU A 40 -1.466 -10.734 0.973 1.00 0.00 C ATOM 649 CG GLU A 40 -1.760 -10.128 -0.395 1.00 0.00 C ATOM 650 CD GLU A 40 -1.528 -11.066 -1.589 1.00 0.00 C ATOM 651 OE1 GLU A 40 -0.944 -12.173 -1.443 1.00 0.00 O ATOM 652 OE2 GLU A 40 -1.758 -10.637 -2.741 1.00 0.00 O ATOM 0 H GLU A 40 -3.370 -9.932 2.728 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.013 -12.208 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.171 -9.938 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.616 -11.411 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.798 -9.795 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.138 -9.242 -0.523 1.00 0.00 H new ATOM 659 N GLU A 41 -1.227 -13.165 2.773 1.00 0.00 N ATOM 660 CA GLU A 41 -0.886 -14.191 3.766 1.00 0.00 C ATOM 661 C GLU A 41 0.351 -13.866 4.629 1.00 0.00 C ATOM 662 O GLU A 41 1.172 -14.741 4.918 1.00 0.00 O ATOM 663 CB GLU A 41 -0.749 -15.528 2.997 1.00 0.00 C ATOM 664 CG GLU A 41 -1.831 -16.515 3.418 1.00 0.00 C ATOM 665 CD GLU A 41 -1.507 -17.914 2.896 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.861 -18.224 1.731 1.00 0.00 O ATOM 667 OE2 GLU A 41 -0.885 -18.709 3.639 1.00 0.00 O ATOM 0 H GLU A 41 -0.549 -13.119 2.013 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.682 -14.247 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.818 -15.343 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.234 -15.960 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.911 -16.535 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.798 -16.191 3.033 1.00 0.00 H new ATOM 674 N LEU A 42 0.525 -12.609 5.030 1.00 0.00 N ATOM 675 CA LEU A 42 1.802 -12.065 5.495 1.00 0.00 C ATOM 676 C LEU A 42 1.577 -10.689 6.158 1.00 0.00 C ATOM 677 O LEU A 42 0.520 -10.446 6.737 1.00 0.00 O ATOM 678 CB LEU A 42 2.767 -12.073 4.275 1.00 0.00 C ATOM 679 CG LEU A 42 3.861 -13.158 4.369 1.00 0.00 C ATOM 680 CD1 LEU A 42 3.916 -13.999 3.084 1.00 0.00 C ATOM 681 CD2 LEU A 42 5.246 -12.569 4.658 1.00 0.00 C ATOM 0 H LEU A 42 -0.232 -11.925 5.042 1.00 0.00 H new ATOM 0 HA LEU A 42 2.265 -12.664 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.189 -12.228 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.241 -11.095 4.189 1.00 0.00 H new ATOM 0 HG LEU A 42 3.588 -13.798 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.695 -14.756 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.954 -14.486 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.138 -13.352 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.979 -13.374 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.523 -11.881 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.223 -12.033 5.607 1.00 0.00 H new ATOM 693 N GLU A 43 2.595 -9.810 6.160 1.00 0.00 N ATOM 694 CA GLU A 43 2.602 -8.456 6.741 1.00 0.00 C ATOM 695 C GLU A 43 4.022 -7.874 6.699 1.00 0.00 C ATOM 696 O GLU A 43 4.985 -8.591 6.989 1.00 0.00 O ATOM 697 CB GLU A 43 2.108 -8.421 8.194 1.00 0.00 C ATOM 698 CG GLU A 43 2.716 -9.515 9.074 1.00 0.00 C ATOM 699 CD GLU A 43 2.451 -9.187 10.532 1.00 0.00 C ATOM 700 OE1 GLU A 43 1.343 -9.493 11.017 1.00 0.00 O ATOM 701 OE2 GLU A 43 3.345 -8.568 11.163 1.00 0.00 O ATOM 0 H GLU A 43 3.490 -10.041 5.729 1.00 0.00 H new ATOM 0 HA GLU A 43 1.915 -7.862 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.342 -7.448 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.023 -8.521 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.283 -10.483 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.789 -9.589 8.894 1.00 0.00 H new ATOM 708 N THR A 44 4.213 -6.619 6.302 1.00 0.00 N ATOM 709 CA THR A 44 5.510 -5.938 6.391 1.00 0.00 C ATOM 710 C THR A 44 5.662 -5.393 7.812 1.00 0.00 C ATOM 711 O THR A 44 4.674 -4.956 8.408 1.00 0.00 O ATOM 712 CB THR A 44 5.644 -4.846 5.316 1.00 0.00 C ATOM 713 OG1 THR A 44 6.977 -4.433 5.107 1.00 0.00 O ATOM 714 CG2 THR A 44 4.786 -3.660 5.619 1.00 0.00 C ATOM 0 H THR A 44 3.472 -6.040 5.907 1.00 0.00 H new ATOM 0 HA THR A 44 6.321 -6.639 6.194 1.00 0.00 H new ATOM 0 HB THR A 44 5.296 -5.307 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.000 -3.741 4.414 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.910 -2.912 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.742 -3.969 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.080 -3.233 6.578 1.00 0.00 H new ATOM 722 N PRO A 45 6.894 -5.327 8.332 1.00 0.00 N ATOM 723 CA PRO A 45 7.164 -4.583 9.541 1.00 0.00 C ATOM 724 C PRO A 45 7.249 -3.061 9.288 1.00 0.00 C ATOM 725 O PRO A 45 7.408 -2.296 10.234 1.00 0.00 O ATOM 726 CB PRO A 45 8.460 -5.190 10.057 1.00 0.00 C ATOM 727 CG PRO A 45 9.202 -5.724 8.839 1.00 0.00 C ATOM 728 CD PRO A 45 8.100 -5.968 7.822 1.00 0.00 C ATOM 0 HA PRO A 45 6.363 -4.662 10.276 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.058 -4.443 10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.257 -5.990 10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.935 -5.006 8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.743 -6.641 9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.374 -5.555 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.937 -7.036 7.680 1.00 0.00 H new ATOM 736 N ALA A 46 7.105 -2.596 8.041 1.00 0.00 N ATOM 737 CA ALA A 46 7.049 -1.174 7.694 1.00 0.00 C ATOM 738 C ALA A 46 5.658 -0.613 8.015 1.00 0.00 C ATOM 739 O ALA A 46 4.745 -1.385 8.333 1.00 0.00 O ATOM 740 CB ALA A 46 7.343 -1.029 6.195 1.00 0.00 C ATOM 0 H ALA A 46 7.023 -3.211 7.231 1.00 0.00 H new ATOM 0 HA ALA A 46 7.787 -0.618 8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.306 0.024 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.335 -1.427 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.598 -1.582 5.623 1.00 0.00 H new ATOM 746 N LYS A 47 5.447 0.707 7.883 1.00 0.00 N ATOM 747 CA LYS A 47 4.110 1.241 8.031 1.00 0.00 C ATOM 748 C LYS A 47 3.384 0.966 6.728 1.00 0.00 C ATOM 749 O LYS A 47 3.989 1.023 5.649 1.00 0.00 O ATOM 750 CB LYS A 47 4.132 2.724 8.408 1.00 0.00 C ATOM 751 CG LYS A 47 5.065 3.548 7.521 1.00 0.00 C ATOM 752 CD LYS A 47 4.832 5.051 7.540 1.00 0.00 C ATOM 753 CE LYS A 47 4.482 5.661 8.909 1.00 0.00 C ATOM 754 NZ LYS A 47 5.616 5.779 9.847 1.00 0.00 N ATOM 0 H LYS A 47 6.171 1.396 7.680 1.00 0.00 H new ATOM 0 HA LYS A 47 3.581 0.759 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.122 3.127 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.444 2.825 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.093 3.354 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.966 3.196 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.729 5.543 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.026 5.283 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.056 6.652 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.707 5.052 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.286 6.199 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.012 4.836 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.350 6.386 9.429 1.00 0.00 H new ATOM 768 N VAL A 48 2.107 0.627 6.832 1.00 0.00 N ATOM 769 CA VAL A 48 1.282 0.242 5.714 1.00 0.00 C ATOM 770 C VAL A 48 0.005 0.985 5.921 1.00 0.00 C ATOM 771 O VAL A 48 -0.570 0.964 7.005 1.00 0.00 O ATOM 772 CB VAL A 48 1.022 -1.266 5.704 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.219 -1.688 4.464 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.357 -1.988 5.689 1.00 0.00 C ATOM 0 H VAL A 48 1.610 0.614 7.723 1.00 0.00 H new ATOM 0 HA VAL A 48 1.758 0.473 4.761 1.00 0.00 H new ATOM 0 HB VAL A 48 0.445 -1.524 6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.052 -2.765 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.741 -1.172 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.776 -1.427 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.188 -3.065 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.915 -1.702 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.928 -1.716 6.577 1.00 0.00 H new ATOM 784 N TYR A 49 -0.424 1.630 4.859 1.00 0.00 N ATOM 785 CA TYR A 49 -1.689 2.306 4.827 1.00 0.00 C ATOM 786 C TYR A 49 -2.263 2.073 3.434 1.00 0.00 C ATOM 787 O TYR A 49 -1.521 1.782 2.500 1.00 0.00 O ATOM 788 CB TYR A 49 -1.430 3.778 5.130 1.00 0.00 C ATOM 789 CG TYR A 49 -0.845 4.119 6.508 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.703 4.227 7.622 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.536 4.369 6.694 1.00 0.00 C ATOM 792 CE1 TYR A 49 -1.228 4.611 8.888 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.004 4.811 7.945 1.00 0.00 C ATOM 794 CZ TYR A 49 0.138 4.920 9.053 1.00 0.00 C ATOM 795 OH TYR A 49 0.632 5.320 10.261 1.00 0.00 O ATOM 0 H TYR A 49 0.104 1.697 3.989 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.406 1.943 5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.751 4.165 4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.372 4.316 5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.754 4.009 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.228 4.221 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.904 4.669 9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.046 5.072 8.059 1.00 0.00 H new ATOM 0 HH TYR A 49 1.594 5.487 10.182 1.00 0.00 H new ATOM 805 N ALA A 50 -3.569 2.169 3.248 1.00 0.00 N ATOM 806 CA ALA A 50 -4.204 1.859 1.972 1.00 0.00 C ATOM 807 C ALA A 50 -5.258 2.932 1.691 1.00 0.00 C ATOM 808 O ALA A 50 -5.822 3.497 2.629 1.00 0.00 O ATOM 809 CB ALA A 50 -4.762 0.453 2.097 1.00 0.00 C ATOM 0 H ALA A 50 -4.221 2.464 3.975 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.522 1.873 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.250 0.171 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.950 -0.243 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.487 0.420 2.910 1.00 0.00 H new ATOM 815 N ILE A 51 -5.490 3.276 0.426 1.00 0.00 N ATOM 816 CA ILE A 51 -6.380 4.367 0.067 1.00 0.00 C ATOM 817 C ILE A 51 -7.826 3.900 0.145 1.00 0.00 C ATOM 818 O ILE A 51 -8.314 3.120 -0.678 1.00 0.00 O ATOM 819 CB ILE A 51 -6.003 4.956 -1.308 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.629 5.648 -1.349 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.061 5.966 -1.780 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.364 6.753 -0.323 1.00 0.00 C ATOM 0 H ILE A 51 -5.066 2.805 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.267 5.182 0.782 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.955 4.093 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.863 4.883 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.496 6.073 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.773 6.367 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.027 5.468 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.135 6.780 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.360 7.151 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.093 7.553 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.450 6.343 0.683 1.00 0.00 H new ATOM 834 N LYS A 52 -8.530 4.478 1.117 1.00 0.00 N ATOM 835 CA LYS A 52 -9.935 4.254 1.364 1.00 0.00 C ATOM 836 C LYS A 52 -10.755 4.502 0.112 1.00 0.00 C ATOM 837 O LYS A 52 -11.455 3.601 -0.319 1.00 0.00 O ATOM 838 CB LYS A 52 -10.374 5.087 2.579 1.00 0.00 C ATOM 839 CG LYS A 52 -11.669 4.516 3.161 1.00 0.00 C ATOM 840 CD LYS A 52 -11.881 4.850 4.641 1.00 0.00 C ATOM 841 CE LYS A 52 -12.709 6.122 4.840 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.074 6.295 6.260 1.00 0.00 N ATOM 0 H LYS A 52 -8.113 5.138 1.773 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.113 3.208 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.591 5.081 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.524 6.125 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.514 4.898 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.665 3.433 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.381 4.014 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.912 4.971 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.142 6.988 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.612 6.072 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.999 6.766 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.126 5.364 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.354 6.876 6.735 1.00 0.00 H new ATOM 856 N ASP A 53 -10.643 5.685 -0.490 1.00 0.00 N ATOM 857 CA ASP A 53 -11.415 6.067 -1.676 1.00 0.00 C ATOM 858 C ASP A 53 -11.338 5.013 -2.771 1.00 0.00 C ATOM 859 O ASP A 53 -12.353 4.581 -3.311 1.00 0.00 O ATOM 860 CB ASP A 53 -10.919 7.417 -2.213 1.00 0.00 C ATOM 861 CG ASP A 53 -12.091 8.380 -2.264 1.00 0.00 C ATOM 862 OD1 ASP A 53 -12.415 8.943 -1.194 1.00 0.00 O ATOM 863 OD2 ASP A 53 -12.736 8.527 -3.326 1.00 0.00 O ATOM 0 H ASP A 53 -10.008 6.414 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.459 6.153 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.132 7.813 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.488 7.293 -3.206 1.00 0.00 H new ATOM 868 N ASP A 54 -10.124 4.557 -3.065 1.00 0.00 N ATOM 869 CA ASP A 54 -9.894 3.554 -4.078 1.00 0.00 C ATOM 870 C ASP A 54 -10.489 2.214 -3.679 1.00 0.00 C ATOM 871 O ASP A 54 -11.093 1.581 -4.535 1.00 0.00 O ATOM 872 CB ASP A 54 -8.399 3.406 -4.331 1.00 0.00 C ATOM 873 CG ASP A 54 -7.856 4.411 -5.347 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.565 4.823 -6.295 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.657 4.736 -5.250 1.00 0.00 O ATOM 0 H ASP A 54 -9.275 4.879 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.388 3.880 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.864 3.527 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.196 2.395 -4.685 1.00 0.00 H new ATOM 880 N PHE A 55 -10.351 1.780 -2.422 1.00 0.00 N ATOM 881 CA PHE A 55 -10.886 0.516 -1.901 1.00 0.00 C ATOM 882 C PHE A 55 -12.410 0.486 -1.987 1.00 0.00 C ATOM 883 O PHE A 55 -13.005 -0.509 -2.397 1.00 0.00 O ATOM 884 CB PHE A 55 -10.448 0.374 -0.437 1.00 0.00 C ATOM 885 CG PHE A 55 -10.511 -1.007 0.200 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.935 -2.119 -0.434 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.066 -1.179 1.478 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.897 -3.377 0.188 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.110 -2.452 2.071 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.509 -3.553 1.437 1.00 0.00 C ATOM 0 H PHE A 55 -9.847 2.316 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.502 -0.310 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.421 0.730 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.063 1.046 0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.512 -2.004 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.462 -0.326 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.399 -4.205 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.609 -2.585 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.519 -4.525 1.907 1.00 0.00 H new ATOM 900 N LEU A 56 -13.035 1.611 -1.653 1.00 0.00 N ATOM 901 CA LEU A 56 -14.465 1.848 -1.736 1.00 0.00 C ATOM 902 C LEU A 56 -14.896 1.769 -3.188 1.00 0.00 C ATOM 903 O LEU A 56 -15.918 1.153 -3.501 1.00 0.00 O ATOM 904 CB LEU A 56 -14.766 3.241 -1.169 1.00 0.00 C ATOM 905 CG LEU A 56 -14.536 3.350 0.342 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.538 4.837 0.722 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.652 2.676 1.148 1.00 0.00 C ATOM 0 H LEU A 56 -12.527 2.422 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.011 1.099 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.140 3.974 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.802 3.498 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.591 2.858 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.376 4.939 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.741 5.351 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.498 5.279 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.445 2.779 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.606 3.150 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.700 1.618 0.889 1.00 0.00 H new ATOM 919 N ALA A 57 -14.110 2.355 -4.094 1.00 0.00 N ATOM 920 CA ALA A 57 -14.345 2.213 -5.518 1.00 0.00 C ATOM 921 C ALA A 57 -14.088 0.771 -5.973 1.00 0.00 C ATOM 922 O ALA A 57 -14.695 0.331 -6.952 1.00 0.00 O ATOM 923 CB ALA A 57 -13.495 3.215 -6.306 1.00 0.00 C ATOM 0 H ALA A 57 -13.304 2.933 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.393 2.436 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.685 3.094 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.755 4.230 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.439 3.036 -6.103 1.00 0.00 H new ATOM 929 N ARG A 58 -13.264 0.004 -5.248 1.00 0.00 N ATOM 930 CA ARG A 58 -12.939 -1.385 -5.593 1.00 0.00 C ATOM 931 C ARG A 58 -13.855 -2.318 -4.802 1.00 0.00 C ATOM 932 O ARG A 58 -13.462 -3.443 -4.526 1.00 0.00 O ATOM 933 CB ARG A 58 -11.436 -1.645 -5.274 1.00 0.00 C ATOM 934 CG ARG A 58 -10.552 -2.111 -6.443 1.00 0.00 C ATOM 935 CD ARG A 58 -10.355 -3.630 -6.544 1.00 0.00 C ATOM 936 NE ARG A 58 -11.482 -4.292 -7.234 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.351 -5.226 -6.818 1.00 0.00 C ATOM 938 NH1 ARG A 58 -12.359 -5.684 -5.571 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.222 -5.706 -7.694 1.00 0.00 N ATOM 0 H ARG A 58 -12.801 0.332 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.098 -1.572 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.010 -0.726 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.380 -2.395 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.991 -1.754 -7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.574 -1.639 -6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.429 -3.840 -7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.247 -4.048 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.624 -3.985 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.688 -5.325 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.036 -6.395 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.219 -5.365 -8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.895 -6.417 -7.407 1.00 0.00 H new ATOM 953 N GLY A 59 -15.118 -1.943 -4.597 1.00 0.00 N ATOM 954 CA GLY A 59 -16.142 -2.788 -4.004 1.00 0.00 C ATOM 955 C GLY A 59 -15.692 -3.531 -2.744 1.00 0.00 C ATOM 956 O GLY A 59 -15.780 -4.765 -2.721 1.00 0.00 O ATOM 0 H GLY A 59 -15.461 -1.016 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.008 -2.173 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.469 -3.518 -4.745 1.00 0.00 H new ATOM 960 N TYR A 60 -15.268 -2.800 -1.708 1.00 0.00 N ATOM 961 CA TYR A 60 -15.010 -3.284 -0.371 1.00 0.00 C ATOM 962 C TYR A 60 -15.660 -2.326 0.627 1.00 0.00 C ATOM 963 O TYR A 60 -15.840 -1.138 0.347 1.00 0.00 O ATOM 964 CB TYR A 60 -13.506 -3.281 -0.120 1.00 0.00 C ATOM 965 CG TYR A 60 -12.718 -4.385 -0.791 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.531 -5.614 -0.135 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.072 -4.148 -2.017 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.806 -6.643 -0.751 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.323 -5.168 -2.631 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.234 -6.437 -2.018 1.00 0.00 C ATOM 971 OH TYR A 60 -10.532 -7.440 -2.613 1.00 0.00 O ATOM 0 H TYR A 60 -15.089 -1.800 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.410 -4.292 -0.258 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.105 -2.323 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.337 -3.343 0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.948 -5.766 0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.151 -3.180 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.687 -7.594 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.818 -4.981 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.203 -7.137 -3.485 1.00 0.00 H new ATOM 981 N SER A 61 -15.919 -2.837 1.825 1.00 0.00 N ATOM 982 CA SER A 61 -16.308 -2.116 3.029 1.00 0.00 C ATOM 983 C SER A 61 -15.056 -1.538 3.684 1.00 0.00 C ATOM 984 O SER A 61 -13.951 -2.010 3.407 1.00 0.00 O ATOM 985 CB SER A 61 -16.941 -3.152 3.970 1.00 0.00 C ATOM 986 OG SER A 61 -18.117 -2.701 4.601 1.00 0.00 O ATOM 0 H SER A 61 -15.858 -3.841 1.991 1.00 0.00 H new ATOM 0 HA SER A 61 -17.001 -1.304 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.167 -4.055 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.213 -3.429 4.733 1.00 0.00 H new ATOM 0 HG SER A 61 -18.468 -3.408 5.182 1.00 0.00 H new ATOM 992 N GLU A 62 -15.191 -0.576 4.598 1.00 0.00 N ATOM 993 CA GLU A 62 -14.044 -0.084 5.348 1.00 0.00 C ATOM 994 C GLU A 62 -13.454 -1.208 6.197 1.00 0.00 C ATOM 995 O GLU A 62 -12.244 -1.303 6.397 1.00 0.00 O ATOM 996 CB GLU A 62 -14.405 1.079 6.282 1.00 0.00 C ATOM 997 CG GLU A 62 -15.093 2.271 5.602 1.00 0.00 C ATOM 998 CD GLU A 62 -14.847 3.618 6.308 1.00 0.00 C ATOM 999 OE1 GLU A 62 -13.916 3.750 7.140 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -15.514 4.617 5.953 1.00 0.00 O ATOM 0 H GLU A 62 -16.077 -0.128 4.833 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.323 0.274 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.058 0.703 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.494 1.432 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.742 2.342 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.166 2.084 5.561 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.327 -2.059 6.724 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.968 -3.069 7.702 1.00 0.00 C ATOM 1009 C GLU A 63 -13.303 -4.295 7.048 1.00 0.00 C ATOM 1010 O GLU A 63 -12.781 -5.158 7.755 1.00 0.00 O ATOM 1011 CB GLU A 63 -15.242 -3.388 8.499 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.979 -4.019 9.871 1.00 0.00 C ATOM 1013 CD GLU A 63 -15.911 -3.441 10.942 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -17.152 -3.474 10.780 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.389 -2.906 11.949 1.00 0.00 O ATOM 0 H GLU A 63 -15.317 -2.064 6.478 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.204 -2.705 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.812 -2.469 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.865 -4.064 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.119 -5.098 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.942 -3.848 10.159 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.278 -4.353 5.708 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.799 -5.489 4.914 1.00 0.00 C ATOM 1024 C ASP A 64 -11.277 -5.472 4.695 1.00 0.00 C ATOM 1025 O ASP A 64 -10.728 -6.445 4.166 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.450 -5.476 3.518 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.911 -5.901 3.427 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.425 -6.626 4.305 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.576 -5.543 2.430 1.00 0.00 O ATOM 0 H ASP A 64 -13.604 -3.580 5.128 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.069 -6.379 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.366 -4.467 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.867 -6.128 2.867 1.00 0.00 H new ATOM 1034 N SER A 65 -10.582 -4.379 5.029 1.00 0.00 N ATOM 1035 CA SER A 65 -9.148 -4.230 4.787 1.00 0.00 C ATOM 1036 C SER A 65 -8.383 -4.596 6.051 1.00 0.00 C ATOM 1037 O SER A 65 -8.600 -3.968 7.090 1.00 0.00 O ATOM 1038 CB SER A 65 -8.856 -2.768 4.424 1.00 0.00 C ATOM 1039 OG SER A 65 -7.500 -2.377 4.497 1.00 0.00 O ATOM 0 H SER A 65 -11.006 -3.567 5.479 1.00 0.00 H new ATOM 0 HA SER A 65 -8.839 -4.885 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.213 -2.586 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.436 -2.126 5.086 1.00 0.00 H new ATOM 0 HG SER A 65 -7.340 -1.908 5.342 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.408 -5.508 5.961 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.561 -5.804 7.119 1.00 0.00 C ATOM 1047 C LYS A 66 -5.395 -4.827 7.257 1.00 0.00 C ATOM 1048 O LYS A 66 -4.341 -5.223 7.755 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.093 -7.272 7.032 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.250 -7.612 5.789 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.953 -8.394 6.052 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.719 -9.502 5.017 1.00 0.00 C ATOM 1053 NZ LYS A 66 -4.655 -10.629 5.233 1.00 0.00 N ATOM 0 H LYS A 66 -7.190 -6.042 5.120 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.148 -5.672 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.510 -7.506 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.970 -7.919 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.868 -8.191 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.994 -6.682 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.108 -7.706 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.993 -8.834 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.851 -9.101 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.691 -9.859 5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.363 -11.440 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.644 -10.902 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.617 -10.338 4.964 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.583 -3.540 6.952 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.619 -2.456 7.165 1.00 0.00 C ATOM 1069 C VAL A 67 -5.408 -1.152 7.310 1.00 0.00 C ATOM 1070 O VAL A 67 -6.559 -1.093 6.854 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.558 -2.365 6.030 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.002 -3.712 5.569 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.016 -1.550 4.817 1.00 0.00 C ATOM 0 H VAL A 67 -6.451 -3.210 6.530 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.048 -2.655 8.072 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.742 -1.826 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.270 -3.552 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.523 -4.215 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.816 -4.331 5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.223 -1.533 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.908 -2.006 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.243 -0.530 5.128 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.801 -0.092 7.873 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.459 1.180 8.059 1.00 0.00 C ATOM 1085 C PRO A 68 -5.724 1.831 6.718 1.00 0.00 C ATOM 1086 O PRO A 68 -4.820 2.149 5.935 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.579 2.000 9.000 1.00 0.00 C ATOM 1088 CG PRO A 68 -3.196 1.390 8.836 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.449 -0.037 8.399 1.00 0.00 C ATOM 0 HA PRO A 68 -6.443 1.081 8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.584 3.056 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.926 1.932 10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.610 1.933 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.636 1.424 9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.728 -0.340 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.335 -0.722 9.239 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.010 2.038 6.489 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.545 2.777 5.381 1.00 0.00 C ATOM 1099 C LEU A 69 -7.401 4.242 5.740 1.00 0.00 C ATOM 1100 O LEU A 69 -7.869 4.696 6.791 1.00 0.00 O ATOM 1101 CB LEU A 69 -9.023 2.422 5.190 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.308 0.973 4.783 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.811 0.792 4.612 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.607 0.621 3.480 1.00 0.00 C ATOM 0 H LEU A 69 -7.736 1.674 7.106 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.023 2.546 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.551 2.630 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.442 3.083 4.431 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.931 0.312 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.023 -0.237 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.314 1.015 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.173 1.469 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.827 -0.413 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.960 1.281 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.531 0.743 3.601 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.713 4.958 4.867 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.416 6.378 4.975 1.00 0.00 C ATOM 1118 C ILE A 70 -6.963 7.127 3.754 1.00 0.00 C ATOM 1119 O ILE A 70 -7.402 6.507 2.781 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.901 6.589 5.207 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -4.074 6.431 3.906 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.393 5.695 6.360 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.613 6.876 4.024 1.00 0.00 C ATOM 0 H ILE A 70 -6.326 4.544 4.019 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.920 6.801 5.844 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.753 7.624 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.098 5.385 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.553 7.006 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.325 5.860 6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.927 5.945 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.568 4.648 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.110 6.731 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.575 7.930 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.113 6.284 4.791 1.00 0.00 H new ATOM 1135 N THR A 71 -6.925 8.454 3.790 1.00 0.00 N ATOM 1136 CA THR A 71 -7.352 9.291 2.683 1.00 0.00 C ATOM 1137 C THR A 71 -6.212 9.484 1.671 1.00 0.00 C ATOM 1138 O THR A 71 -5.046 9.210 1.972 1.00 0.00 O ATOM 1139 CB THR A 71 -7.832 10.633 3.252 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.806 11.302 3.964 1.00 0.00 O ATOM 1141 CG2 THR A 71 -9.034 10.434 4.180 1.00 0.00 C ATOM 0 H THR A 71 -6.593 8.981 4.598 1.00 0.00 H new ATOM 0 HA THR A 71 -8.170 8.812 2.146 1.00 0.00 H new ATOM 0 HB THR A 71 -8.123 11.248 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.149 12.153 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.356 11.399 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.852 9.977 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.751 9.784 5.008 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.516 10.034 0.487 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.480 10.485 -0.449 1.00 0.00 C ATOM 1151 C TYR A 72 -4.539 11.490 0.231 1.00 0.00 C ATOM 1152 O TYR A 72 -3.343 11.451 -0.024 1.00 0.00 O ATOM 1153 CB TYR A 72 -6.112 11.091 -1.725 1.00 0.00 C ATOM 1154 CG TYR A 72 -5.837 10.348 -3.026 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -6.388 9.070 -3.249 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -5.071 10.951 -4.044 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.137 8.380 -4.452 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -4.842 10.280 -5.260 1.00 0.00 C ATOM 1159 CZ TYR A 72 -5.369 8.987 -5.460 1.00 0.00 C ATOM 1160 OH TYR A 72 -5.101 8.274 -6.587 1.00 0.00 O ATOM 0 H TYR A 72 -7.470 10.177 0.156 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.891 9.618 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.191 11.144 -1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.754 12.115 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.008 8.615 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.656 11.936 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.534 7.386 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.264 10.755 -6.039 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.562 8.818 -7.198 1.00 0.00 H new ATOM 1170 N SER A 73 -5.047 12.365 1.101 1.00 0.00 N ATOM 1171 CA SER A 73 -4.250 13.420 1.717 1.00 0.00 C ATOM 1172 C SER A 73 -3.317 12.876 2.805 1.00 0.00 C ATOM 1173 O SER A 73 -2.179 13.334 2.930 1.00 0.00 O ATOM 1174 CB SER A 73 -5.187 14.479 2.303 1.00 0.00 C ATOM 1175 OG SER A 73 -6.328 14.652 1.471 1.00 0.00 O ATOM 0 H SER A 73 -6.023 12.360 1.396 1.00 0.00 H new ATOM 0 HA SER A 73 -3.618 13.864 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.501 14.181 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.657 15.426 2.404 1.00 0.00 H new ATOM 0 HG SER A 73 -6.917 15.331 1.861 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.771 11.887 3.583 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.946 11.198 4.566 1.00 0.00 C ATOM 1183 C GLU A 74 -1.748 10.552 3.880 1.00 0.00 C ATOM 1184 O GLU A 74 -0.655 10.570 4.436 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.781 10.148 5.304 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.700 10.743 6.381 1.00 0.00 C ATOM 1187 CD GLU A 74 -4.261 10.307 7.778 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -4.672 9.214 8.238 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -3.478 11.032 8.431 1.00 0.00 O ATOM 0 H GLU A 74 -4.731 11.544 3.543 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.577 11.920 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.388 9.603 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.112 9.424 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.687 11.831 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.727 10.425 6.203 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.934 10.024 2.671 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.852 9.443 1.897 1.00 0.00 C ATOM 1198 C PHE A 75 0.194 10.499 1.546 1.00 0.00 C ATOM 1199 O PHE A 75 1.383 10.225 1.694 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.444 8.761 0.664 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.483 8.377 -0.444 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.754 7.766 -0.163 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.862 8.592 -1.782 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.549 7.271 -1.208 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.037 8.146 -2.829 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.141 7.443 -2.538 1.00 0.00 C ATOM 0 H PHE A 75 -2.841 9.990 2.206 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.329 8.689 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.959 7.858 0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.199 9.424 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.092 7.678 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.788 9.101 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.474 6.758 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.310 8.344 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.736 7.033 -3.341 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.222 11.697 1.125 1.00 0.00 N ATOM 1217 CA ILE A 76 0.704 12.762 0.750 1.00 0.00 C ATOM 1218 C ILE A 76 1.642 13.105 1.912 1.00 0.00 C ATOM 1219 O ILE A 76 2.841 13.249 1.684 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.064 13.988 0.197 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.901 13.652 -1.058 1.00 0.00 C ATOM 1222 CG2 ILE A 76 0.887 15.152 -0.133 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.190 12.842 -2.150 1.00 0.00 C ATOM 0 H ILE A 76 -1.206 11.952 1.036 1.00 0.00 H new ATOM 0 HA ILE A 76 1.342 12.410 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.745 14.289 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.785 13.098 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.250 14.587 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.312 15.994 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.416 15.457 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.608 14.831 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.876 12.668 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.678 13.396 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.134 11.885 -1.740 1.00 0.00 H new ATOM 1235 N ASP A 77 1.135 13.158 3.149 1.00 0.00 N ATOM 1236 CA ASP A 77 1.944 13.428 4.352 1.00 0.00 C ATOM 1237 C ASP A 77 3.024 12.377 4.587 1.00 0.00 C ATOM 1238 O ASP A 77 4.075 12.673 5.163 1.00 0.00 O ATOM 1239 CB ASP A 77 1.018 13.475 5.566 1.00 0.00 C ATOM 1240 CG ASP A 77 1.708 13.549 6.937 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.224 14.631 7.300 1.00 0.00 O ATOM 1242 OD2 ASP A 77 1.553 12.592 7.739 1.00 0.00 O ATOM 0 H ASP A 77 0.145 13.014 3.349 1.00 0.00 H new ATOM 0 HA ASP A 77 2.450 14.381 4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.362 14.340 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.383 12.589 5.548 1.00 0.00 H new ATOM 1247 N LEU A 78 2.782 11.150 4.121 1.00 0.00 N ATOM 1248 CA LEU A 78 3.762 10.095 4.245 1.00 0.00 C ATOM 1249 C LEU A 78 4.854 10.227 3.176 1.00 0.00 C ATOM 1250 O LEU A 78 5.891 9.583 3.322 1.00 0.00 O ATOM 1251 CB LEU A 78 3.100 8.710 4.163 1.00 0.00 C ATOM 1252 CG LEU A 78 2.057 8.433 5.263 1.00 0.00 C ATOM 1253 CD1 LEU A 78 1.281 7.155 4.921 1.00 0.00 C ATOM 1254 CD2 LEU A 78 2.693 8.287 6.652 1.00 0.00 C ATOM 0 H LEU A 78 1.916 10.873 3.658 1.00 0.00 H new ATOM 0 HA LEU A 78 4.227 10.195 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.619 8.609 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.876 7.947 4.216 1.00 0.00 H new ATOM 0 HG LEU A 78 1.386 9.291 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.543 6.958 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.775 7.282 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.973 6.315 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.915 8.093 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.400 7.457 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.217 9.207 6.911 1.00 0.00 H new ATOM 1266 N LEU A 79 4.648 11.031 2.125 1.00 0.00 N ATOM 1267 CA LEU A 79 5.630 11.271 1.077 1.00 0.00 C ATOM 1268 C LEU A 79 6.540 12.411 1.513 1.00 0.00 C ATOM 1269 O LEU A 79 7.666 12.157 1.918 1.00 0.00 O ATOM 1270 CB LEU A 79 4.969 11.585 -0.285 1.00 0.00 C ATOM 1271 CG LEU A 79 3.971 10.540 -0.811 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.604 10.857 -2.270 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.532 9.120 -0.712 1.00 0.00 C ATOM 0 H LEU A 79 3.775 11.539 1.983 1.00 0.00 H new ATOM 0 HA LEU A 79 6.213 10.361 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.453 12.541 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.757 11.711 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 79 3.078 10.589 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.897 10.113 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.151 11.847 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.504 10.836 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.797 8.411 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.446 9.048 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.753 8.888 0.330 1.00 0.00 H new ATOM 1285 N GLU A 80 6.068 13.653 1.382 1.00 0.00 N ATOM 1286 CA GLU A 80 6.750 14.934 1.602 1.00 0.00 C ATOM 1287 C GLU A 80 8.280 14.820 1.426 1.00 0.00 C ATOM 1288 O GLU A 80 9.075 14.929 2.367 1.00 0.00 O ATOM 1289 CB GLU A 80 6.294 15.571 2.938 1.00 0.00 C ATOM 1290 CG GLU A 80 4.761 15.598 3.162 1.00 0.00 C ATOM 1291 CD GLU A 80 3.953 16.444 2.160 1.00 0.00 C ATOM 1292 OE1 GLU A 80 4.202 16.384 0.935 1.00 0.00 O ATOM 1293 OE2 GLU A 80 3.025 17.173 2.591 1.00 0.00 O ATOM 0 H GLU A 80 5.102 13.803 1.090 1.00 0.00 H new ATOM 0 HA GLU A 80 6.448 15.632 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.756 15.025 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.671 16.593 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.389 14.574 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.566 15.974 4.166 1.00 0.00 H new ATOM 1300 N GLY A 81 8.701 14.574 0.180 1.00 0.00 N ATOM 1301 CA GLY A 81 10.100 14.498 -0.234 1.00 0.00 C ATOM 1302 C GLY A 81 10.649 13.078 -0.367 1.00 0.00 C ATOM 1303 O GLY A 81 11.872 12.929 -0.461 1.00 0.00 O ATOM 0 H GLY A 81 8.052 14.418 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.210 15.007 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.709 15.042 0.488 1.00 0.00 H new ATOM 1307 N GLU A 82 9.806 12.038 -0.359 1.00 0.00 N ATOM 1308 CA GLU A 82 10.233 10.652 -0.187 1.00 0.00 C ATOM 1309 C GLU A 82 9.646 9.728 -1.264 1.00 0.00 C ATOM 1310 O GLU A 82 8.980 8.735 -0.979 1.00 0.00 O ATOM 1311 CB GLU A 82 9.937 10.218 1.255 1.00 0.00 C ATOM 1312 CG GLU A 82 10.788 9.018 1.639 1.00 0.00 C ATOM 1313 CD GLU A 82 10.973 8.926 3.148 1.00 0.00 C ATOM 1314 OE1 GLU A 82 9.996 8.661 3.876 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.134 8.982 3.608 1.00 0.00 O ATOM 0 H GLU A 82 8.798 12.141 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 82 11.310 10.572 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.136 11.045 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.881 9.969 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.318 8.105 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.762 9.092 1.156 1.00 0.00 H new ATOM 1322 N GLU A 83 9.947 10.016 -2.530 1.00 0.00 N ATOM 1323 CA GLU A 83 9.340 9.327 -3.662 1.00 0.00 C ATOM 1324 C GLU A 83 9.965 7.963 -3.954 1.00 0.00 C ATOM 1325 O GLU A 83 10.831 7.827 -4.815 1.00 0.00 O ATOM 1326 CB GLU A 83 9.343 10.232 -4.891 1.00 0.00 C ATOM 1327 CG GLU A 83 8.151 11.174 -4.819 1.00 0.00 C ATOM 1328 CD GLU A 83 8.111 12.094 -6.038 1.00 0.00 C ATOM 1329 OE1 GLU A 83 8.923 13.046 -6.110 1.00 0.00 O ATOM 1330 OE2 GLU A 83 7.221 11.916 -6.895 1.00 0.00 O ATOM 0 H GLU A 83 10.620 10.735 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 83 8.307 9.111 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.271 10.802 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.294 9.632 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.228 10.596 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.208 11.771 -3.909 1.00 0.00 H new ATOM 1337 N LYS A 84 9.510 6.920 -3.252 1.00 0.00 N ATOM 1338 CA LYS A 84 9.938 5.540 -3.499 1.00 0.00 C ATOM 1339 C LYS A 84 8.927 4.476 -3.064 1.00 0.00 C ATOM 1340 O LYS A 84 9.342 3.406 -2.611 1.00 0.00 O ATOM 1341 CB LYS A 84 11.301 5.342 -2.809 1.00 0.00 C ATOM 1342 CG LYS A 84 11.257 5.630 -1.289 1.00 0.00 C ATOM 1343 CD LYS A 84 12.513 6.366 -0.820 1.00 0.00 C ATOM 1344 CE LYS A 84 12.419 7.797 -1.361 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.584 8.623 -1.004 1.00 0.00 N ATOM 0 H LYS A 84 8.833 7.010 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 84 10.019 5.399 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.638 4.318 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.037 5.997 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.376 6.228 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.159 4.692 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.576 6.368 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.411 5.872 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.322 7.764 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.515 8.267 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.465 9.579 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.664 8.681 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.447 8.193 -1.395 1.00 0.00 H new ATOM 1359 N PHE A 85 7.621 4.694 -3.249 1.00 0.00 N ATOM 1360 CA PHE A 85 6.585 3.678 -2.995 1.00 0.00 C ATOM 1361 C PHE A 85 5.207 4.126 -3.484 1.00 0.00 C ATOM 1362 O PHE A 85 4.186 3.893 -2.841 1.00 0.00 O ATOM 1363 CB PHE A 85 6.544 3.317 -1.493 1.00 0.00 C ATOM 1364 CG PHE A 85 6.337 4.497 -0.547 1.00 0.00 C ATOM 1365 CD1 PHE A 85 7.424 5.311 -0.171 1.00 0.00 C ATOM 1366 CD2 PHE A 85 5.055 4.795 -0.044 1.00 0.00 C ATOM 1367 CE1 PHE A 85 7.228 6.424 0.661 1.00 0.00 C ATOM 1368 CE2 PHE A 85 4.863 5.890 0.815 1.00 0.00 C ATOM 1369 CZ PHE A 85 5.952 6.701 1.171 1.00 0.00 C ATOM 0 H PHE A 85 7.247 5.583 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 85 6.852 2.788 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.742 2.597 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.478 2.820 -1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.417 5.076 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.214 4.177 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.060 7.067 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.878 6.108 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.807 7.538 1.838 1.00 0.00 H new ATOM 1379 N ILE A 86 5.175 4.787 -4.635 1.00 0.00 N ATOM 1380 CA ILE A 86 4.058 5.641 -5.025 1.00 0.00 C ATOM 1381 C ILE A 86 3.205 4.906 -6.073 1.00 0.00 C ATOM 1382 O ILE A 86 3.498 3.761 -6.418 1.00 0.00 O ATOM 1383 CB ILE A 86 4.592 7.019 -5.493 1.00 0.00 C ATOM 1384 CG1 ILE A 86 5.992 7.414 -4.943 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.614 8.134 -5.111 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.046 7.636 -3.421 1.00 0.00 C ATOM 0 H ILE A 86 5.924 4.746 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 86 3.402 5.847 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 86 4.691 6.908 -6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.705 6.633 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.319 8.327 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.006 9.093 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.650 7.950 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.489 8.153 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.060 7.908 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.362 8.439 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.754 6.719 -2.909 1.00 0.00 H new ATOM 1398 N GLY A 87 2.190 5.552 -6.640 1.00 0.00 N ATOM 1399 CA GLY A 87 1.525 5.152 -7.869 1.00 0.00 C ATOM 1400 C GLY A 87 0.480 6.189 -8.202 1.00 0.00 C ATOM 1401 O GLY A 87 0.636 7.323 -7.704 1.00 0.00 O ATOM 0 H GLY A 87 1.795 6.402 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.247 5.066 -8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.063 4.172 -7.749 1.00 0.00 H new