USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= -1.12 K(o=-1.9,f=0.19) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.822 K(o=-1.9,f=0.22) USER MOD Single : A 30 SER OG : rot 122:sc= 0.522 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 143:sc= 0.39 USER MOD Single : A 44 GLN : amide:sc= 0.328 X(o=0.33,f=-0.023) USER MOD Single : A 46 SER OG : rot 64:sc= 0.651 USER MOD Single : A 49 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 58 MET CE :methyl -176:sc= -2.31 (180deg=-2.55) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 2.34 (180deg=2.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -115:sc= 1.69 USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 0.932 (180deg=0.872) USER MOD Single : A 86 HIS : no HE2:sc= 0.445 K(o=0.44,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.16) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 100:sc= -0.574 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.942 9.241 7.134 1.00 0.00 N ATOM 36 CA SER A 30 5.772 9.565 5.711 1.00 0.00 C ATOM 37 C SER A 30 4.458 10.273 5.334 1.00 0.00 C ATOM 38 O SER A 30 4.395 10.926 4.293 1.00 0.00 O ATOM 39 CB SER A 30 5.822 8.254 4.923 1.00 0.00 C ATOM 40 OG SER A 30 6.998 7.524 5.223 1.00 0.00 O ATOM 0 HA SER A 30 6.573 10.266 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.945 7.651 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.785 8.466 3.855 1.00 0.00 H new ATOM 0 HG SER A 30 6.755 6.639 5.567 1.00 0.00 H new ATOM 46 N ASN A 31 3.396 10.126 6.138 1.00 0.00 N ATOM 47 CA ASN A 31 1.998 10.534 5.865 1.00 0.00 C ATOM 48 C ASN A 31 1.310 9.901 4.630 1.00 0.00 C ATOM 49 O ASN A 31 0.093 10.039 4.508 1.00 0.00 O ATOM 50 CB ASN A 31 1.817 12.063 5.774 1.00 0.00 C ATOM 51 CG ASN A 31 2.706 12.918 6.654 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.396 13.220 7.798 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.811 13.383 6.118 1.00 0.00 N ATOM 0 H ASN A 31 3.489 9.692 7.056 1.00 0.00 H new ATOM 0 HA ASN A 31 1.497 10.131 6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.979 12.362 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.780 12.295 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.418 14.001 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.062 13.126 5.163 1.00 0.00 H new ATOM 60 N THR A 32 2.029 9.209 3.729 1.00 0.00 N ATOM 61 CA THR A 32 1.499 8.857 2.394 1.00 0.00 C ATOM 62 C THR A 32 1.805 7.447 1.856 1.00 0.00 C ATOM 63 O THR A 32 1.755 7.267 0.629 1.00 0.00 O ATOM 64 CB THR A 32 1.972 9.893 1.351 1.00 0.00 C ATOM 65 OG1 THR A 32 3.349 9.740 1.082 1.00 0.00 O ATOM 66 CG2 THR A 32 1.776 11.354 1.751 1.00 0.00 C ATOM 0 H THR A 32 2.980 8.881 3.898 1.00 0.00 H new ATOM 0 HA THR A 32 0.420 8.865 2.547 1.00 0.00 H new ATOM 0 HB THR A 32 1.344 9.687 0.484 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.517 9.903 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.139 12.002 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.716 11.546 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.332 11.559 2.666 1.00 0.00 H new ATOM 74 N ARG A 33 2.112 6.426 2.680 1.00 0.00 N ATOM 75 CA ARG A 33 2.664 5.154 2.142 1.00 0.00 C ATOM 76 C ARG A 33 2.030 3.878 2.665 1.00 0.00 C ATOM 77 O ARG A 33 1.789 3.687 3.851 1.00 0.00 O ATOM 78 CB ARG A 33 4.169 5.029 2.381 1.00 0.00 C ATOM 79 CG ARG A 33 5.116 5.742 1.441 1.00 0.00 C ATOM 80 CD ARG A 33 6.539 5.880 2.004 1.00 0.00 C ATOM 81 NE ARG A 33 7.493 6.125 0.908 1.00 0.00 N ATOM 82 CZ ARG A 33 8.700 5.624 0.741 1.00 0.00 C ATOM 83 NH1 ARG A 33 9.316 4.915 1.639 1.00 0.00 N ATOM 84 NH2 ARG A 33 9.316 5.845 -0.366 1.00 0.00 N ATOM 0 H ARG A 33 1.994 6.447 3.693 1.00 0.00 H new ATOM 0 HA ARG A 33 2.424 5.237 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.374 5.386 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.420 3.968 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.157 5.199 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.721 6.734 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.577 6.700 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.816 4.973 2.542 1.00 0.00 H new ATOM 0 HE ARG A 33 7.177 6.768 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.864 4.719 2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.251 4.554 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.869 6.400 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.251 5.465 -0.514 1.00 0.00 H new ATOM 98 N LEU A 34 1.865 2.910 1.791 1.00 0.00 N ATOM 99 CA LEU A 34 1.062 1.728 2.066 1.00 0.00 C ATOM 100 C LEU A 34 1.922 0.462 2.096 1.00 0.00 C ATOM 101 O LEU A 34 2.423 0.032 1.060 1.00 0.00 O ATOM 102 CB LEU A 34 -0.114 1.692 1.087 1.00 0.00 C ATOM 103 CG LEU A 34 -0.831 3.043 0.784 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.101 3.958 1.986 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.105 3.809 -0.321 1.00 0.00 C ATOM 0 H LEU A 34 2.285 2.916 0.862 1.00 0.00 H new ATOM 0 HA LEU A 34 0.635 1.775 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.245 1.281 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.856 0.995 1.476 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.824 2.741 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.603 4.865 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.736 3.438 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.156 4.222 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.624 4.748 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.918 4.018 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.090 3.209 -1.231 1.00 0.00 H new ATOM 117 N PHE A 35 2.090 -0.106 3.296 1.00 0.00 N ATOM 118 CA PHE A 35 2.971 -1.231 3.623 1.00 0.00 C ATOM 119 C PHE A 35 2.088 -2.467 3.533 1.00 0.00 C ATOM 120 O PHE A 35 1.242 -2.763 4.379 1.00 0.00 O ATOM 121 CB PHE A 35 3.608 -1.021 4.998 1.00 0.00 C ATOM 122 CG PHE A 35 4.632 -2.030 5.512 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.044 -3.157 4.758 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.249 -1.777 6.750 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.066 -3.996 5.237 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.266 -2.620 7.236 1.00 0.00 C ATOM 127 CZ PHE A 35 6.679 -3.728 6.474 1.00 0.00 C ATOM 0 H PHE A 35 1.582 0.229 4.115 1.00 0.00 H new ATOM 0 HA PHE A 35 3.816 -1.333 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.089 -0.043 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.801 -0.973 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.571 -3.373 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.938 -0.924 7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.381 -4.848 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.728 -2.417 8.191 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.466 -4.372 6.838 1.00 0.00 H new ATOM 137 N VAL A 36 2.258 -3.151 2.428 1.00 0.00 N ATOM 138 CA VAL A 36 1.322 -4.119 1.883 1.00 0.00 C ATOM 139 C VAL A 36 2.107 -5.396 1.620 1.00 0.00 C ATOM 140 O VAL A 36 2.894 -5.486 0.677 1.00 0.00 O ATOM 141 CB VAL A 36 0.722 -3.348 0.685 1.00 0.00 C ATOM 142 CG1 VAL A 36 0.011 -4.049 -0.417 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.326 -2.350 1.225 1.00 0.00 C ATOM 0 H VAL A 36 3.093 -3.046 1.852 1.00 0.00 H new ATOM 0 HA VAL A 36 0.493 -4.469 2.498 1.00 0.00 H new ATOM 0 HB VAL A 36 1.634 -2.963 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.329 -3.320 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.688 -4.758 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.848 -4.584 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.762 -1.795 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.111 -2.895 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.155 -1.655 1.913 1.00 0.00 H new ATOM 153 N ARG A 37 1.947 -6.365 2.528 1.00 0.00 N ATOM 154 CA ARG A 37 2.817 -7.555 2.648 1.00 0.00 C ATOM 155 C ARG A 37 2.213 -8.970 2.858 1.00 0.00 C ATOM 156 O ARG A 37 3.016 -9.900 2.956 1.00 0.00 O ATOM 157 CB ARG A 37 3.843 -7.238 3.750 1.00 0.00 C ATOM 158 CG ARG A 37 3.205 -6.940 5.118 1.00 0.00 C ATOM 159 CD ARG A 37 4.211 -7.086 6.267 1.00 0.00 C ATOM 160 NE ARG A 37 3.553 -6.870 7.572 1.00 0.00 N ATOM 161 CZ ARG A 37 3.301 -5.708 8.147 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.694 -4.570 7.667 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.627 -5.627 9.249 1.00 0.00 N ATOM 0 H ARG A 37 1.195 -6.350 3.217 1.00 0.00 H new ATOM 0 HA ARG A 37 3.222 -7.684 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.526 -8.082 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.441 -6.380 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.801 -5.928 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.367 -7.617 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.658 -8.080 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.021 -6.368 6.140 1.00 0.00 H new ATOM 0 HE ARG A 37 3.263 -7.705 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.229 -4.540 6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.468 -3.704 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.276 -6.474 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.447 -4.716 9.671 1.00 0.00 H new ATOM 177 N PRO A 38 0.885 -9.219 2.938 1.00 0.00 N ATOM 178 CA PRO A 38 0.325 -10.578 3.050 1.00 0.00 C ATOM 179 C PRO A 38 0.811 -11.602 2.026 1.00 0.00 C ATOM 180 O PRO A 38 0.923 -12.791 2.330 1.00 0.00 O ATOM 181 CB PRO A 38 -1.179 -10.404 2.838 1.00 0.00 C ATOM 182 CG PRO A 38 -1.440 -9.041 3.436 1.00 0.00 C ATOM 183 CD PRO A 38 -0.204 -8.258 3.003 1.00 0.00 C ATOM 0 HA PRO A 38 0.637 -10.977 4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.447 -10.441 1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.752 -11.184 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.359 -8.597 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.536 -9.084 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.363 -7.785 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.021 -7.463 3.713 1.00 0.00 H new ATOM 191 N PHE A 39 1.029 -11.123 0.807 1.00 0.00 N ATOM 192 CA PHE A 39 1.265 -11.910 -0.391 1.00 0.00 C ATOM 193 C PHE A 39 2.680 -12.500 -0.481 1.00 0.00 C ATOM 194 O PHE A 39 3.627 -11.967 0.104 1.00 0.00 O ATOM 195 CB PHE A 39 1.065 -11.020 -1.636 1.00 0.00 C ATOM 196 CG PHE A 39 0.311 -9.723 -1.423 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.997 -8.608 -0.907 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.060 -9.622 -1.731 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.312 -7.407 -0.709 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.719 -8.390 -1.590 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.037 -7.284 -1.079 1.00 0.00 C ATOM 0 H PHE A 39 1.046 -10.120 0.621 1.00 0.00 H new ATOM 0 HA PHE A 39 0.556 -12.737 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.046 -10.781 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.537 -11.602 -2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.047 -8.680 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.603 -10.490 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.825 -6.565 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.756 -8.298 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.545 -6.337 -0.969 1.00 0.00 H new ATOM 211 N PRO A 40 2.847 -13.555 -1.299 1.00 0.00 N ATOM 212 CA PRO A 40 4.156 -14.033 -1.716 1.00 0.00 C ATOM 213 C PRO A 40 4.719 -13.193 -2.879 1.00 0.00 C ATOM 214 O PRO A 40 4.183 -12.135 -3.220 1.00 0.00 O ATOM 215 CB PRO A 40 3.914 -15.500 -2.103 1.00 0.00 C ATOM 216 CG PRO A 40 2.489 -15.478 -2.653 1.00 0.00 C ATOM 217 CD PRO A 40 1.795 -14.440 -1.783 1.00 0.00 C ATOM 0 HA PRO A 40 4.909 -13.945 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.630 -15.844 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.005 -16.165 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.468 -15.199 -3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.012 -16.455 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.051 -13.886 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.271 -14.914 -0.953 1.00 0.00 H new ATOM 225 N LEU A 41 5.786 -13.690 -3.524 1.00 0.00 N ATOM 226 CA LEU A 41 6.447 -13.127 -4.716 1.00 0.00 C ATOM 227 C LEU A 41 5.473 -12.656 -5.809 1.00 0.00 C ATOM 228 O LEU A 41 5.803 -11.778 -6.605 1.00 0.00 O ATOM 229 CB LEU A 41 7.377 -14.188 -5.350 1.00 0.00 C ATOM 230 CG LEU A 41 8.484 -14.874 -4.521 1.00 0.00 C ATOM 231 CD1 LEU A 41 9.318 -13.867 -3.747 1.00 0.00 C ATOM 232 CD2 LEU A 41 7.976 -15.940 -3.546 1.00 0.00 C ATOM 0 H LEU A 41 6.239 -14.548 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 41 6.996 -12.256 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.738 -14.978 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.864 -13.716 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 41 9.097 -15.378 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.085 -14.391 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.792 -13.175 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.676 -13.311 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.819 -16.370 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.285 -15.485 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.462 -16.725 -4.101 1.00 0.00 H new ATOM 244 N ASP A 42 4.294 -13.279 -5.873 1.00 0.00 N ATOM 245 CA ASP A 42 3.265 -13.110 -6.904 1.00 0.00 C ATOM 246 C ASP A 42 2.631 -11.701 -6.974 1.00 0.00 C ATOM 247 O ASP A 42 2.132 -11.344 -8.047 1.00 0.00 O ATOM 248 CB ASP A 42 2.176 -14.174 -6.686 1.00 0.00 C ATOM 249 CG ASP A 42 2.701 -15.613 -6.853 1.00 0.00 C ATOM 250 OD1 ASP A 42 3.447 -16.100 -5.975 1.00 0.00 O ATOM 251 OD2 ASP A 42 2.354 -16.269 -7.867 1.00 0.00 O ATOM 0 H ASP A 42 4.014 -13.956 -5.164 1.00 0.00 H new ATOM 0 HA ASP A 42 3.765 -13.235 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.758 -14.059 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.363 -14.005 -7.393 1.00 0.00 H new ATOM 256 N VAL A 43 2.664 -10.877 -5.915 1.00 0.00 N ATOM 257 CA VAL A 43 2.172 -9.481 -5.978 1.00 0.00 C ATOM 258 C VAL A 43 3.072 -8.601 -6.858 1.00 0.00 C ATOM 259 O VAL A 43 4.296 -8.608 -6.723 1.00 0.00 O ATOM 260 CB VAL A 43 1.969 -8.856 -4.583 1.00 0.00 C ATOM 261 CG1 VAL A 43 3.262 -8.634 -3.788 1.00 0.00 C ATOM 262 CG2 VAL A 43 1.207 -7.521 -4.659 1.00 0.00 C ATOM 0 H VAL A 43 3.026 -11.149 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 43 1.189 -9.526 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 43 1.380 -9.601 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.023 -8.191 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.764 -9.589 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.919 -7.963 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.085 -7.114 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.769 -6.815 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.226 -7.687 -5.105 1.00 0.00 H new ATOM 272 N GLN A 44 2.458 -7.809 -7.737 1.00 0.00 N ATOM 273 CA GLN A 44 3.122 -6.835 -8.619 1.00 0.00 C ATOM 274 C GLN A 44 2.272 -5.557 -8.694 1.00 0.00 C ATOM 275 O GLN A 44 1.169 -5.481 -8.145 1.00 0.00 O ATOM 276 CB GLN A 44 3.355 -7.363 -10.059 1.00 0.00 C ATOM 277 CG GLN A 44 3.633 -8.855 -10.285 1.00 0.00 C ATOM 278 CD GLN A 44 4.890 -9.394 -9.615 1.00 0.00 C ATOM 279 OE1 GLN A 44 5.960 -8.796 -9.620 1.00 0.00 O ATOM 280 NE2 GLN A 44 4.795 -10.570 -9.034 1.00 0.00 N ATOM 0 H GLN A 44 1.446 -7.825 -7.863 1.00 0.00 H new ATOM 0 HA GLN A 44 4.103 -6.639 -8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.475 -7.103 -10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.195 -6.808 -10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.777 -9.425 -9.925 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.708 -9.035 -11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.904 -11.067 -9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.612 -10.985 -8.587 1.00 0.00 H new ATOM 289 N GLU A 45 2.743 -4.552 -9.436 1.00 0.00 N ATOM 290 CA GLU A 45 1.996 -3.314 -9.670 1.00 0.00 C ATOM 291 C GLU A 45 0.599 -3.526 -10.282 1.00 0.00 C ATOM 292 O GLU A 45 -0.264 -2.675 -10.101 1.00 0.00 O ATOM 293 CB GLU A 45 2.844 -2.336 -10.497 1.00 0.00 C ATOM 294 CG GLU A 45 2.841 -2.606 -12.011 1.00 0.00 C ATOM 295 CD GLU A 45 3.372 -4.001 -12.400 1.00 0.00 C ATOM 296 OE1 GLU A 45 4.536 -4.323 -12.072 1.00 0.00 O ATOM 297 OE2 GLU A 45 2.612 -4.787 -13.013 1.00 0.00 O ATOM 0 H GLU A 45 3.655 -4.574 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 45 1.801 -2.877 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.481 -1.323 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.872 -2.373 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.824 -2.498 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.446 -1.847 -12.506 1.00 0.00 H new ATOM 304 N SER A 46 0.344 -4.652 -10.959 1.00 0.00 N ATOM 305 CA SER A 46 -0.970 -5.023 -11.507 1.00 0.00 C ATOM 306 C SER A 46 -1.967 -5.488 -10.425 1.00 0.00 C ATOM 307 O SER A 46 -3.175 -5.259 -10.529 1.00 0.00 O ATOM 308 CB SER A 46 -0.795 -6.144 -12.540 1.00 0.00 C ATOM 309 OG SER A 46 -0.109 -5.668 -13.687 1.00 0.00 O ATOM 0 H SER A 46 1.064 -5.350 -11.147 1.00 0.00 H new ATOM 0 HA SER A 46 -1.385 -4.126 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.241 -6.971 -12.096 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.771 -6.534 -12.830 1.00 0.00 H new ATOM 0 HG SER A 46 0.798 -5.395 -13.436 1.00 0.00 H new ATOM 315 N GLU A 47 -1.478 -6.094 -9.346 1.00 0.00 N ATOM 316 CA GLU A 47 -2.264 -6.608 -8.233 1.00 0.00 C ATOM 317 C GLU A 47 -2.539 -5.447 -7.277 1.00 0.00 C ATOM 318 O GLU A 47 -3.652 -5.257 -6.777 1.00 0.00 O ATOM 319 CB GLU A 47 -1.414 -7.694 -7.565 1.00 0.00 C ATOM 320 CG GLU A 47 -1.451 -9.051 -8.287 1.00 0.00 C ATOM 321 CD GLU A 47 -0.877 -9.036 -9.713 1.00 0.00 C ATOM 322 OE1 GLU A 47 0.242 -8.510 -9.909 1.00 0.00 O ATOM 323 OE2 GLU A 47 -1.535 -9.566 -10.642 1.00 0.00 O ATOM 0 H GLU A 47 -0.477 -6.246 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.220 -7.030 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.381 -7.351 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.758 -7.830 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.896 -9.778 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.484 -9.397 -8.329 1.00 0.00 H new ATOM 330 N LEU A 48 -1.529 -4.586 -7.122 1.00 0.00 N ATOM 331 CA LEU A 48 -1.699 -3.305 -6.485 1.00 0.00 C ATOM 332 C LEU A 48 -2.643 -2.437 -7.342 1.00 0.00 C ATOM 333 O LEU A 48 -3.481 -1.749 -6.793 1.00 0.00 O ATOM 334 CB LEU A 48 -0.319 -2.677 -6.301 1.00 0.00 C ATOM 335 CG LEU A 48 0.704 -3.501 -5.504 1.00 0.00 C ATOM 336 CD1 LEU A 48 2.066 -2.856 -5.616 1.00 0.00 C ATOM 337 CD2 LEU A 48 0.463 -3.524 -4.016 1.00 0.00 C ATOM 0 H LEU A 48 -0.577 -4.770 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.158 -3.400 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.099 -2.475 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.445 -1.715 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 48 0.624 -4.505 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.793 -3.440 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.366 -2.819 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.023 -1.843 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.231 -4.128 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.501 -2.507 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.518 -3.954 -3.813 1.00 0.00 H new ATOM 349 N ASN A 49 -2.633 -2.516 -8.674 1.00 0.00 N ATOM 350 CA ASN A 49 -3.673 -1.855 -9.495 1.00 0.00 C ATOM 351 C ASN A 49 -5.086 -2.386 -9.193 1.00 0.00 C ATOM 352 O ASN A 49 -6.021 -1.592 -9.093 1.00 0.00 O ATOM 353 CB ASN A 49 -3.357 -1.913 -10.998 1.00 0.00 C ATOM 354 CG ASN A 49 -2.737 -0.627 -11.520 1.00 0.00 C ATOM 355 OD1 ASN A 49 -3.412 0.247 -12.048 1.00 0.00 O ATOM 356 ND2 ASN A 49 -1.442 -0.470 -11.386 1.00 0.00 N ATOM 0 H ASN A 49 -1.929 -3.023 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.660 -0.804 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.677 -2.743 -11.190 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.274 -2.119 -11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.994 0.383 -11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.883 -1.200 -10.946 1.00 0.00 H new ATOM 363 N GLU A 50 -5.256 -3.693 -8.984 1.00 0.00 N ATOM 364 CA GLU A 50 -6.509 -4.285 -8.525 1.00 0.00 C ATOM 365 C GLU A 50 -7.004 -3.731 -7.169 1.00 0.00 C ATOM 366 O GLU A 50 -8.201 -3.493 -6.995 1.00 0.00 O ATOM 367 CB GLU A 50 -6.297 -5.808 -8.454 1.00 0.00 C ATOM 368 CG GLU A 50 -7.563 -6.508 -8.918 1.00 0.00 C ATOM 369 CD GLU A 50 -7.559 -8.012 -8.587 1.00 0.00 C ATOM 370 OE1 GLU A 50 -7.778 -8.380 -7.406 1.00 0.00 O ATOM 371 OE2 GLU A 50 -7.359 -8.842 -9.506 1.00 0.00 O ATOM 0 H GLU A 50 -4.515 -4.378 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.295 -4.023 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.454 -6.100 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.054 -6.107 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.427 -6.038 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.674 -6.376 -9.994 1.00 0.00 H new ATOM 378 N ILE A 51 -6.085 -3.501 -6.227 1.00 0.00 N ATOM 379 CA ILE A 51 -6.386 -3.050 -4.852 1.00 0.00 C ATOM 380 C ILE A 51 -6.481 -1.516 -4.697 1.00 0.00 C ATOM 381 O ILE A 51 -7.357 -1.023 -3.991 1.00 0.00 O ATOM 382 CB ILE A 51 -5.274 -3.595 -3.925 1.00 0.00 C ATOM 383 CG1 ILE A 51 -5.372 -5.134 -3.790 1.00 0.00 C ATOM 384 CG2 ILE A 51 -5.262 -2.929 -2.529 1.00 0.00 C ATOM 385 CD1 ILE A 51 -4.109 -5.786 -3.210 1.00 0.00 C ATOM 0 H ILE A 51 -5.087 -3.624 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.371 -3.434 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.328 -3.337 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.222 -5.380 -3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.574 -5.564 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.459 -3.356 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.102 -1.856 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.217 -3.104 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.253 -6.865 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.259 -5.572 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.917 -5.386 -2.215 1.00 0.00 H new ATOM 397 N PHE A 52 -5.572 -0.774 -5.339 1.00 0.00 N ATOM 398 CA PHE A 52 -5.320 0.668 -5.179 1.00 0.00 C ATOM 399 C PHE A 52 -5.958 1.527 -6.284 1.00 0.00 C ATOM 400 O PHE A 52 -6.208 2.718 -6.085 1.00 0.00 O ATOM 401 CB PHE A 52 -3.827 0.963 -5.171 1.00 0.00 C ATOM 402 CG PHE A 52 -3.085 0.468 -3.957 1.00 0.00 C ATOM 403 CD1 PHE A 52 -2.764 -0.892 -3.832 1.00 0.00 C ATOM 404 CD2 PHE A 52 -2.645 1.384 -2.993 1.00 0.00 C ATOM 405 CE1 PHE A 52 -1.932 -1.336 -2.803 1.00 0.00 C ATOM 406 CE2 PHE A 52 -1.766 0.945 -2.001 1.00 0.00 C ATOM 407 CZ PHE A 52 -1.370 -0.396 -1.939 1.00 0.00 C ATOM 0 H PHE A 52 -4.949 -1.190 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.778 0.931 -4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.379 0.516 -6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.685 2.041 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.165 -1.603 -4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.979 2.411 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.727 -2.389 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.388 1.648 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.626 -0.704 -1.219 1.00 0.00 H new ATOM 417 N GLY A 53 -6.251 0.922 -7.439 1.00 0.00 N ATOM 418 CA GLY A 53 -7.040 1.515 -8.524 1.00 0.00 C ATOM 419 C GLY A 53 -8.360 2.190 -8.098 1.00 0.00 C ATOM 420 O GLY A 53 -8.686 3.226 -8.686 1.00 0.00 O ATOM 0 H GLY A 53 -5.936 -0.024 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.423 2.254 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.270 0.735 -9.250 1.00 0.00 H new ATOM 424 N PRO A 54 -9.113 1.695 -7.086 1.00 0.00 N ATOM 425 CA PRO A 54 -10.291 2.394 -6.562 1.00 0.00 C ATOM 426 C PRO A 54 -9.989 3.779 -5.960 1.00 0.00 C ATOM 427 O PRO A 54 -10.881 4.630 -5.905 1.00 0.00 O ATOM 428 CB PRO A 54 -10.895 1.462 -5.504 1.00 0.00 C ATOM 429 CG PRO A 54 -10.325 0.086 -5.844 1.00 0.00 C ATOM 430 CD PRO A 54 -8.934 0.457 -6.334 1.00 0.00 C ATOM 0 HA PRO A 54 -10.978 2.604 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.616 1.770 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.984 1.463 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.294 -0.573 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.909 -0.424 -6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.247 0.598 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.515 -0.329 -6.962 1.00 0.00 H new ATOM 438 N PHE A 55 -8.758 4.022 -5.483 1.00 0.00 N ATOM 439 CA PHE A 55 -8.379 5.258 -4.784 1.00 0.00 C ATOM 440 C PHE A 55 -7.986 6.349 -5.771 1.00 0.00 C ATOM 441 O PHE A 55 -8.455 7.487 -5.673 1.00 0.00 O ATOM 442 CB PHE A 55 -7.169 5.033 -3.853 1.00 0.00 C ATOM 443 CG PHE A 55 -7.118 3.766 -3.037 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.293 3.065 -2.725 1.00 0.00 C ATOM 445 CD2 PHE A 55 -5.862 3.245 -2.678 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.219 1.808 -2.119 1.00 0.00 C ATOM 447 CE2 PHE A 55 -5.800 2.033 -1.964 1.00 0.00 C ATOM 448 CZ PHE A 55 -6.977 1.303 -1.718 1.00 0.00 C ATOM 0 H PHE A 55 -7.990 3.357 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.252 5.559 -4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.268 5.070 -4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.120 5.875 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.256 3.498 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.956 3.768 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.117 1.229 -1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.850 1.664 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.922 0.348 -1.217 1.00 0.00 H new ATOM 458 N GLY A 56 -7.109 5.976 -6.707 1.00 0.00 N ATOM 459 CA GLY A 56 -6.745 6.762 -7.870 1.00 0.00 C ATOM 460 C GLY A 56 -5.239 7.035 -8.031 1.00 0.00 C ATOM 461 O GLY A 56 -4.628 6.454 -8.930 1.00 0.00 O ATOM 0 H GLY A 56 -6.619 5.082 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.102 6.248 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.268 7.717 -7.821 1.00 0.00 H new ATOM 465 N PRO A 57 -4.628 7.904 -7.194 1.00 0.00 N ATOM 466 CA PRO A 57 -3.265 8.412 -7.385 1.00 0.00 C ATOM 467 C PRO A 57 -2.147 7.387 -7.615 1.00 0.00 C ATOM 468 O PRO A 57 -1.409 7.527 -8.592 1.00 0.00 O ATOM 469 CB PRO A 57 -2.993 9.329 -6.191 1.00 0.00 C ATOM 470 CG PRO A 57 -4.380 9.894 -5.906 1.00 0.00 C ATOM 471 CD PRO A 57 -5.287 8.689 -6.154 1.00 0.00 C ATOM 0 HA PRO A 57 -3.237 8.934 -8.342 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.592 8.781 -5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.275 10.112 -6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.466 10.262 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.622 10.727 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.416 8.103 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.280 9.006 -6.473 1.00 0.00 H new ATOM 479 N MET A 58 -2.031 6.384 -6.732 1.00 0.00 N ATOM 480 CA MET A 58 -0.960 5.348 -6.668 1.00 0.00 C ATOM 481 C MET A 58 0.352 5.757 -7.349 1.00 0.00 C ATOM 482 O MET A 58 0.812 5.215 -8.364 1.00 0.00 O ATOM 483 CB MET A 58 -1.454 3.991 -7.130 1.00 0.00 C ATOM 484 CG MET A 58 -2.143 4.011 -8.499 1.00 0.00 C ATOM 485 SD MET A 58 -1.800 2.541 -9.500 1.00 0.00 S ATOM 486 CE MET A 58 -2.186 1.294 -8.252 1.00 0.00 C ATOM 0 H MET A 58 -2.721 6.256 -5.992 1.00 0.00 H new ATOM 0 HA MET A 58 -0.708 5.259 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.610 3.303 -7.170 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.151 3.598 -6.390 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.220 4.099 -8.354 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.821 4.897 -9.046 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.969 0.302 -8.649 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.580 1.469 -7.363 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.242 1.357 -7.990 1.00 0.00 H new ATOM 496 N LYS A 59 0.905 6.808 -6.772 1.00 0.00 N ATOM 497 CA LYS A 59 1.987 7.638 -7.253 1.00 0.00 C ATOM 498 C LYS A 59 3.342 6.939 -7.276 1.00 0.00 C ATOM 499 O LYS A 59 4.142 7.190 -8.169 1.00 0.00 O ATOM 500 CB LYS A 59 1.949 8.831 -6.306 1.00 0.00 C ATOM 501 CG LYS A 59 2.636 10.097 -6.749 1.00 0.00 C ATOM 502 CD LYS A 59 4.138 10.157 -6.502 1.00 0.00 C ATOM 503 CE LYS A 59 4.653 9.721 -5.126 1.00 0.00 C ATOM 504 NZ LYS A 59 6.124 9.901 -5.023 1.00 0.00 N ATOM 0 H LYS A 59 0.572 7.131 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 59 1.858 7.916 -8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.904 9.068 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.392 8.522 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.457 10.231 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.169 10.939 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.626 9.538 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.465 11.183 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.157 10.302 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.399 8.675 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.409 9.862 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.604 9.144 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.390 10.823 -5.423 1.00 0.00 H new ATOM 518 N GLU A 60 3.589 6.043 -6.313 1.00 0.00 N ATOM 519 CA GLU A 60 4.755 5.156 -6.348 1.00 0.00 C ATOM 520 C GLU A 60 4.459 3.791 -5.768 1.00 0.00 C ATOM 521 O GLU A 60 3.446 3.586 -5.102 1.00 0.00 O ATOM 522 CB GLU A 60 6.009 5.836 -5.755 1.00 0.00 C ATOM 523 CG GLU A 60 7.136 5.947 -6.786 1.00 0.00 C ATOM 524 CD GLU A 60 8.211 6.946 -6.321 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.923 8.170 -6.305 1.00 0.00 O ATOM 526 OE2 GLU A 60 9.341 6.518 -5.988 1.00 0.00 O ATOM 0 H GLU A 60 2.992 5.914 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 60 4.993 4.967 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.747 6.831 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.359 5.266 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.588 4.968 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.727 6.267 -7.744 1.00 0.00 H new ATOM 533 N VAL A 61 5.321 2.840 -6.117 1.00 0.00 N ATOM 534 CA VAL A 61 5.062 1.410 -5.980 1.00 0.00 C ATOM 535 C VAL A 61 6.391 0.667 -5.826 1.00 0.00 C ATOM 536 O VAL A 61 6.879 0.016 -6.755 1.00 0.00 O ATOM 537 CB VAL A 61 4.278 0.929 -7.243 1.00 0.00 C ATOM 538 CG1 VAL A 61 3.588 -0.398 -6.989 1.00 0.00 C ATOM 539 CG2 VAL A 61 3.178 1.853 -7.798 1.00 0.00 C ATOM 0 H VAL A 61 6.239 3.047 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 61 4.461 1.204 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 61 5.079 0.889 -7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.051 -0.706 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.332 -1.152 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.884 -0.290 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.721 1.390 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.418 2.013 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.616 2.810 -8.081 1.00 0.00 H new ATOM 549 N LYS A 62 7.029 0.797 -4.658 1.00 0.00 N ATOM 550 CA LYS A 62 8.203 -0.027 -4.334 1.00 0.00 C ATOM 551 C LYS A 62 7.716 -1.464 -4.140 1.00 0.00 C ATOM 552 O LYS A 62 6.812 -1.670 -3.335 1.00 0.00 O ATOM 553 CB LYS A 62 8.901 0.482 -3.064 1.00 0.00 C ATOM 554 CG LYS A 62 9.100 2.007 -2.995 1.00 0.00 C ATOM 555 CD LYS A 62 9.905 2.410 -1.752 1.00 0.00 C ATOM 556 CE LYS A 62 11.416 2.212 -1.925 1.00 0.00 C ATOM 557 NZ LYS A 62 12.035 3.344 -2.667 1.00 0.00 N ATOM 0 H LYS A 62 6.758 1.456 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 62 8.933 0.026 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.319 0.168 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.876 0.000 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.617 2.349 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.129 2.502 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.706 3.456 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.563 1.824 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.886 2.118 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.603 1.280 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.057 3.177 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.604 3.418 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.878 4.229 -2.144 1.00 0.00 H new ATOM 571 N ILE A 63 8.275 -2.450 -4.833 1.00 0.00 N ATOM 572 CA ILE A 63 7.916 -3.875 -4.668 1.00 0.00 C ATOM 573 C ILE A 63 9.180 -4.731 -4.526 1.00 0.00 C ATOM 574 O ILE A 63 10.093 -4.669 -5.355 1.00 0.00 O ATOM 575 CB ILE A 63 6.988 -4.407 -5.788 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.835 -3.420 -6.067 1.00 0.00 C ATOM 577 CG2 ILE A 63 6.435 -5.789 -5.382 1.00 0.00 C ATOM 578 CD1 ILE A 63 4.778 -3.925 -7.046 1.00 0.00 C ATOM 0 H ILE A 63 8.998 -2.293 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 63 7.336 -3.952 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 63 7.566 -4.507 -6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.348 -3.177 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.256 -2.493 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.782 -6.165 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.262 -6.483 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.870 -5.697 -4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.010 -3.163 -7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.245 -4.139 -8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.323 -4.834 -6.653 1.00 0.00 H new ATOM 590 N LEU A 64 9.222 -5.514 -3.452 1.00 0.00 N ATOM 591 CA LEU A 64 10.368 -6.256 -2.941 1.00 0.00 C ATOM 592 C LEU A 64 9.946 -7.696 -2.608 1.00 0.00 C ATOM 593 O LEU A 64 9.494 -7.957 -1.500 1.00 0.00 O ATOM 594 CB LEU A 64 10.896 -5.594 -1.656 1.00 0.00 C ATOM 595 CG LEU A 64 11.449 -4.158 -1.663 1.00 0.00 C ATOM 596 CD1 LEU A 64 10.470 -3.061 -2.086 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.992 -3.858 -0.266 1.00 0.00 C ATOM 0 H LEU A 64 8.394 -5.656 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 64 11.148 -6.259 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.083 -5.618 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.687 -6.237 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 64 12.221 -4.134 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.971 -2.094 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.123 -3.255 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.618 -3.052 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.392 -2.844 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.188 -3.949 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.784 -4.566 -0.024 1.00 0.00 H new ATOM 609 N ASN A 65 10.090 -8.635 -3.540 1.00 0.00 N ATOM 610 CA ASN A 65 9.956 -10.095 -3.321 1.00 0.00 C ATOM 611 C ASN A 65 8.839 -10.566 -2.348 1.00 0.00 C ATOM 612 O ASN A 65 9.060 -11.460 -1.523 1.00 0.00 O ATOM 613 CB ASN A 65 11.321 -10.630 -2.854 1.00 0.00 C ATOM 614 CG ASN A 65 12.514 -10.123 -3.645 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.631 -10.329 -4.852 1.00 0.00 O ATOM 616 ND2 ASN A 65 13.431 -9.430 -3.005 1.00 0.00 N ATOM 0 H ASN A 65 10.312 -8.404 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 65 9.638 -10.505 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.459 -10.364 -1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.305 -11.719 -2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.238 -9.064 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.335 -9.259 -2.004 1.00 0.00 H new ATOM 623 N GLY A 66 7.663 -9.934 -2.357 1.00 0.00 N ATOM 624 CA GLY A 66 6.565 -10.222 -1.421 1.00 0.00 C ATOM 625 C GLY A 66 5.960 -8.988 -0.752 1.00 0.00 C ATOM 626 O GLY A 66 4.751 -8.927 -0.519 1.00 0.00 O ATOM 0 H GLY A 66 7.440 -9.195 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.777 -10.752 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.932 -10.896 -0.647 1.00 0.00 H new ATOM 630 N PHE A 67 6.790 -7.984 -0.467 1.00 0.00 N ATOM 631 CA PHE A 67 6.390 -6.723 0.154 1.00 0.00 C ATOM 632 C PHE A 67 6.166 -5.655 -0.915 1.00 0.00 C ATOM 633 O PHE A 67 6.863 -5.604 -1.927 1.00 0.00 O ATOM 634 CB PHE A 67 7.475 -6.271 1.159 1.00 0.00 C ATOM 635 CG PHE A 67 8.016 -7.396 2.032 1.00 0.00 C ATOM 636 CD1 PHE A 67 7.321 -7.802 3.177 1.00 0.00 C ATOM 637 CD2 PHE A 67 9.144 -8.126 1.613 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.678 -8.987 3.846 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.476 -9.335 2.252 1.00 0.00 C ATOM 640 CZ PHE A 67 8.741 -9.770 3.368 1.00 0.00 C ATOM 0 H PHE A 67 7.789 -8.028 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 67 5.453 -6.868 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.302 -5.822 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.060 -5.494 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.505 -7.201 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.754 -7.758 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.134 -9.294 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.298 -9.930 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.992 -10.701 3.855 1.00 0.00 H new ATOM 650 N ALA A 68 5.224 -4.762 -0.659 1.00 0.00 N ATOM 651 CA ALA A 68 4.905 -3.580 -1.441 1.00 0.00 C ATOM 652 C ALA A 68 4.855 -2.384 -0.493 1.00 0.00 C ATOM 653 O ALA A 68 4.353 -2.471 0.623 1.00 0.00 O ATOM 654 CB ALA A 68 3.591 -3.795 -2.190 1.00 0.00 C ATOM 0 H ALA A 68 4.620 -4.851 0.158 1.00 0.00 H new ATOM 0 HA ALA A 68 5.666 -3.387 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.356 -2.906 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.688 -4.652 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.790 -3.980 -1.474 1.00 0.00 H new ATOM 660 N PHE A 69 5.383 -1.265 -0.970 1.00 0.00 N ATOM 661 CA PHE A 69 5.390 0.015 -0.286 1.00 0.00 C ATOM 662 C PHE A 69 4.947 1.032 -1.323 1.00 0.00 C ATOM 663 O PHE A 69 5.732 1.641 -2.059 1.00 0.00 O ATOM 664 CB PHE A 69 6.728 0.365 0.382 1.00 0.00 C ATOM 665 CG PHE A 69 7.455 -0.791 1.039 1.00 0.00 C ATOM 666 CD1 PHE A 69 8.047 -1.769 0.224 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.554 -0.897 2.438 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.710 -2.857 0.796 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.290 -1.960 3.005 1.00 0.00 C ATOM 670 CZ PHE A 69 8.890 -2.929 2.174 1.00 0.00 C ATOM 0 H PHE A 69 5.837 -1.226 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 69 4.710 -0.004 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.385 0.804 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.548 1.132 1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.989 -1.680 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.070 -0.170 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.086 -3.648 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.394 -2.031 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.485 -3.721 2.604 1.00 0.00 H new ATOM 680 N VAL A 70 3.631 1.069 -1.476 1.00 0.00 N ATOM 681 CA VAL A 70 2.960 1.987 -2.387 1.00 0.00 C ATOM 682 C VAL A 70 3.001 3.374 -1.760 1.00 0.00 C ATOM 683 O VAL A 70 3.280 3.525 -0.567 1.00 0.00 O ATOM 684 CB VAL A 70 1.571 1.443 -2.788 1.00 0.00 C ATOM 685 CG1 VAL A 70 1.050 1.847 -4.157 1.00 0.00 C ATOM 686 CG2 VAL A 70 1.653 -0.054 -3.039 1.00 0.00 C ATOM 0 H VAL A 70 2.993 0.457 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 70 3.468 2.075 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 70 0.953 1.815 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.068 1.402 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.969 2.933 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.738 1.497 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.670 -0.430 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.361 -0.250 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.987 -0.557 -2.132 1.00 0.00 H new ATOM 696 N GLU A 71 2.760 4.409 -2.540 1.00 0.00 N ATOM 697 CA GLU A 71 3.002 5.784 -2.121 1.00 0.00 C ATOM 698 C GLU A 71 2.076 6.727 -2.878 1.00 0.00 C ATOM 699 O GLU A 71 1.713 6.480 -4.036 1.00 0.00 O ATOM 700 CB GLU A 71 4.471 6.113 -2.452 1.00 0.00 C ATOM 701 CG GLU A 71 4.901 7.485 -1.909 1.00 0.00 C ATOM 702 CD GLU A 71 6.394 7.789 -2.104 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.241 6.929 -1.783 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.729 8.916 -2.534 1.00 0.00 O ATOM 0 H GLU A 71 2.389 4.325 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 71 2.811 5.902 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.117 5.341 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.610 6.093 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.315 8.260 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.666 7.535 -0.846 1.00 0.00 H new ATOM 711 N PHE A 72 1.782 7.851 -2.238 1.00 0.00 N ATOM 712 CA PHE A 72 1.075 8.986 -2.820 1.00 0.00 C ATOM 713 C PHE A 72 1.824 10.303 -2.568 1.00 0.00 C ATOM 714 O PHE A 72 2.684 10.394 -1.685 1.00 0.00 O ATOM 715 CB PHE A 72 -0.343 9.003 -2.247 1.00 0.00 C ATOM 716 CG PHE A 72 -1.083 7.675 -2.197 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.413 6.974 -3.380 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.514 7.177 -0.958 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.180 5.793 -3.306 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.310 6.025 -0.900 1.00 0.00 C ATOM 721 CZ PHE A 72 -2.637 5.330 -2.068 1.00 0.00 C ATOM 0 H PHE A 72 2.039 8.004 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 72 1.023 8.882 -3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.294 9.402 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.938 9.701 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.078 7.342 -4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.232 7.683 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.415 5.245 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.673 5.672 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.242 4.437 -2.014 1.00 0.00 H new ATOM 731 N GLU A 73 1.523 11.332 -3.359 1.00 0.00 N ATOM 732 CA GLU A 73 2.127 12.670 -3.211 1.00 0.00 C ATOM 733 C GLU A 73 1.375 13.568 -2.203 1.00 0.00 C ATOM 734 O GLU A 73 1.869 14.629 -1.819 1.00 0.00 O ATOM 735 CB GLU A 73 2.289 13.344 -4.582 1.00 0.00 C ATOM 736 CG GLU A 73 0.972 13.520 -5.354 1.00 0.00 C ATOM 737 CD GLU A 73 1.204 14.157 -6.739 1.00 0.00 C ATOM 738 OE1 GLU A 73 1.775 13.491 -7.634 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.804 15.328 -6.945 1.00 0.00 O ATOM 0 H GLU A 73 0.852 11.269 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 73 3.120 12.528 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.749 14.322 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.976 12.752 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.489 12.550 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.292 14.145 -4.775 1.00 0.00 H new ATOM 746 N GLU A 74 0.208 13.122 -1.732 1.00 0.00 N ATOM 747 CA GLU A 74 -0.609 13.750 -0.683 1.00 0.00 C ATOM 748 C GLU A 74 -1.156 12.705 0.308 1.00 0.00 C ATOM 749 O GLU A 74 -1.276 11.518 0.002 1.00 0.00 O ATOM 750 CB GLU A 74 -1.755 14.598 -1.286 1.00 0.00 C ATOM 751 CG GLU A 74 -2.334 14.158 -2.637 1.00 0.00 C ATOM 752 CD GLU A 74 -2.701 12.666 -2.733 1.00 0.00 C ATOM 753 OE1 GLU A 74 -3.645 12.238 -2.040 1.00 0.00 O ATOM 754 OE2 GLU A 74 -2.048 11.938 -3.522 1.00 0.00 O ATOM 0 H GLU A 74 -0.218 12.267 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 74 0.043 14.424 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.571 14.621 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.394 15.621 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.226 14.750 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.610 14.390 -3.418 1.00 0.00 H new ATOM 761 N ALA A 75 -1.488 13.148 1.523 1.00 0.00 N ATOM 762 CA ALA A 75 -2.028 12.288 2.578 1.00 0.00 C ATOM 763 C ALA A 75 -3.531 11.960 2.412 1.00 0.00 C ATOM 764 O ALA A 75 -4.074 11.167 3.180 1.00 0.00 O ATOM 765 CB ALA A 75 -1.722 12.945 3.935 1.00 0.00 C ATOM 0 H ALA A 75 -1.388 14.123 1.804 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.539 11.316 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.115 12.322 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.644 13.051 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.190 13.929 3.977 1.00 0.00 H new ATOM 771 N GLU A 76 -4.221 12.530 1.409 1.00 0.00 N ATOM 772 CA GLU A 76 -5.655 12.289 1.177 1.00 0.00 C ATOM 773 C GLU A 76 -5.927 10.901 0.577 1.00 0.00 C ATOM 774 O GLU A 76 -6.825 10.190 1.037 1.00 0.00 O ATOM 775 CB GLU A 76 -6.261 13.362 0.264 1.00 0.00 C ATOM 776 CG GLU A 76 -5.975 14.811 0.688 1.00 0.00 C ATOM 777 CD GLU A 76 -6.372 15.113 2.141 1.00 0.00 C ATOM 778 OE1 GLU A 76 -7.554 14.912 2.514 1.00 0.00 O ATOM 779 OE2 GLU A 76 -5.507 15.578 2.926 1.00 0.00 O ATOM 0 H GLU A 76 -3.800 13.171 0.736 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.130 12.336 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.882 13.214 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.341 13.217 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.912 15.016 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.512 15.488 0.024 1.00 0.00 H new ATOM 786 N SER A 77 -5.129 10.466 -0.400 1.00 0.00 N ATOM 787 CA SER A 77 -5.172 9.081 -0.874 1.00 0.00 C ATOM 788 C SER A 77 -4.721 8.100 0.187 1.00 0.00 C ATOM 789 O SER A 77 -5.269 7.010 0.261 1.00 0.00 O ATOM 790 CB SER A 77 -4.347 8.872 -2.137 1.00 0.00 C ATOM 791 OG SER A 77 -4.676 7.639 -2.751 1.00 0.00 O ATOM 0 H SER A 77 -4.445 11.053 -0.878 1.00 0.00 H new ATOM 0 HA SER A 77 -6.219 8.888 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.526 9.690 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.285 8.890 -1.891 1.00 0.00 H new ATOM 0 HG SER A 77 -3.897 7.045 -2.729 1.00 0.00 H new ATOM 797 N ALA A 78 -3.790 8.478 1.062 1.00 0.00 N ATOM 798 CA ALA A 78 -3.444 7.637 2.203 1.00 0.00 C ATOM 799 C ALA A 78 -4.628 7.490 3.166 1.00 0.00 C ATOM 800 O ALA A 78 -4.998 6.360 3.466 1.00 0.00 O ATOM 801 CB ALA A 78 -2.168 8.168 2.840 1.00 0.00 C ATOM 0 H ALA A 78 -3.268 9.352 1.003 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.234 6.618 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.901 7.546 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.360 8.146 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.327 9.193 3.174 1.00 0.00 H new ATOM 807 N ALA A 79 -5.300 8.584 3.549 1.00 0.00 N ATOM 808 CA ALA A 79 -6.539 8.557 4.338 1.00 0.00 C ATOM 809 C ALA A 79 -7.599 7.618 3.736 1.00 0.00 C ATOM 810 O ALA A 79 -8.102 6.717 4.424 1.00 0.00 O ATOM 811 CB ALA A 79 -7.053 9.991 4.518 1.00 0.00 C ATOM 0 H ALA A 79 -4.993 9.528 3.315 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.320 8.141 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.973 9.977 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.301 10.584 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.251 10.432 3.541 1.00 0.00 H new ATOM 817 N LYS A 80 -7.900 7.761 2.429 1.00 0.00 N ATOM 818 CA LYS A 80 -8.875 6.869 1.795 1.00 0.00 C ATOM 819 C LYS A 80 -8.377 5.433 1.669 1.00 0.00 C ATOM 820 O LYS A 80 -9.133 4.516 1.962 1.00 0.00 O ATOM 821 CB LYS A 80 -9.396 7.439 0.463 1.00 0.00 C ATOM 822 CG LYS A 80 -8.633 7.048 -0.808 1.00 0.00 C ATOM 823 CD LYS A 80 -9.210 7.805 -2.018 1.00 0.00 C ATOM 824 CE LYS A 80 -8.321 8.958 -2.502 1.00 0.00 C ATOM 825 NZ LYS A 80 -8.860 9.590 -3.734 1.00 0.00 N ATOM 0 H LYS A 80 -7.493 8.465 1.813 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.730 6.820 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.434 7.128 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.396 8.526 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.574 7.281 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.707 5.973 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.358 7.103 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.191 8.200 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.238 9.708 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.315 8.585 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.311 10.446 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.790 8.921 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.857 9.847 -3.585 1.00 0.00 H new ATOM 839 N ALA A 81 -7.108 5.230 1.326 1.00 0.00 N ATOM 840 CA ALA A 81 -6.498 3.906 1.247 1.00 0.00 C ATOM 841 C ALA A 81 -6.619 3.191 2.609 1.00 0.00 C ATOM 842 O ALA A 81 -7.025 2.032 2.674 1.00 0.00 O ATOM 843 CB ALA A 81 -5.043 4.019 0.778 1.00 0.00 C ATOM 0 H ALA A 81 -6.467 5.988 1.093 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.027 3.302 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.600 3.025 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.013 4.484 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.479 4.629 1.484 1.00 0.00 H new ATOM 849 N ILE A 82 -6.354 3.895 3.722 1.00 0.00 N ATOM 850 CA ILE A 82 -6.541 3.377 5.086 1.00 0.00 C ATOM 851 C ILE A 82 -7.984 2.908 5.288 1.00 0.00 C ATOM 852 O ILE A 82 -8.238 1.741 5.599 1.00 0.00 O ATOM 853 CB ILE A 82 -6.158 4.422 6.161 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.655 4.766 6.164 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.535 3.978 7.595 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.436 6.218 6.577 1.00 0.00 C ATOM 0 H ILE A 82 -6.000 4.851 3.699 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.870 2.526 5.205 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.735 5.304 5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.126 4.104 6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.236 4.598 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.242 4.752 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.612 3.820 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.018 3.049 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.369 6.441 6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.947 6.877 5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.835 6.376 7.579 1.00 0.00 H new ATOM 868 N GLU A 83 -8.940 3.805 5.041 1.00 0.00 N ATOM 869 CA GLU A 83 -10.370 3.499 5.192 1.00 0.00 C ATOM 870 C GLU A 83 -10.854 2.374 4.247 1.00 0.00 C ATOM 871 O GLU A 83 -11.813 1.671 4.561 1.00 0.00 O ATOM 872 CB GLU A 83 -11.177 4.787 4.992 1.00 0.00 C ATOM 873 CG GLU A 83 -10.906 5.852 6.065 1.00 0.00 C ATOM 874 CD GLU A 83 -11.680 5.599 7.380 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.353 4.640 8.113 1.00 0.00 O ATOM 876 OE2 GLU A 83 -12.614 6.376 7.689 1.00 0.00 O ATOM 0 H GLU A 83 -8.751 4.759 4.733 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.529 3.116 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.945 5.203 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.240 4.544 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.838 5.880 6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.178 6.832 5.673 1.00 0.00 H new ATOM 883 N GLU A 84 -10.164 2.148 3.122 1.00 0.00 N ATOM 884 CA GLU A 84 -10.509 1.155 2.096 1.00 0.00 C ATOM 885 C GLU A 84 -9.905 -0.234 2.353 1.00 0.00 C ATOM 886 O GLU A 84 -10.562 -1.243 2.090 1.00 0.00 O ATOM 887 CB GLU A 84 -9.975 1.611 0.719 1.00 0.00 C ATOM 888 CG GLU A 84 -10.757 2.739 0.025 1.00 0.00 C ATOM 889 CD GLU A 84 -12.000 2.212 -0.712 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.013 1.877 -0.045 1.00 0.00 O ATOM 891 OE2 GLU A 84 -11.979 2.143 -1.957 1.00 0.00 O ATOM 0 H GLU A 84 -9.319 2.671 2.893 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.596 1.080 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.942 1.937 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.959 0.747 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.062 3.478 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.105 3.249 -0.684 1.00 0.00 H new ATOM 898 N VAL A 85 -8.669 -0.306 2.869 1.00 0.00 N ATOM 899 CA VAL A 85 -7.890 -1.562 2.902 1.00 0.00 C ATOM 900 C VAL A 85 -6.914 -1.730 4.092 1.00 0.00 C ATOM 901 O VAL A 85 -6.462 -2.843 4.334 1.00 0.00 O ATOM 902 CB VAL A 85 -7.238 -1.761 1.515 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.271 -0.640 1.137 1.00 0.00 C ATOM 904 CG2 VAL A 85 -6.544 -3.110 1.338 1.00 0.00 C ATOM 0 H VAL A 85 -8.181 0.494 3.273 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.588 -2.375 3.103 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.088 -1.734 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.848 -0.841 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.805 0.310 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.469 -0.588 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.113 -3.169 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.753 -3.212 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.270 -3.913 1.468 1.00 0.00 H new ATOM 914 N HIS A 86 -6.658 -0.722 4.929 1.00 0.00 N ATOM 915 CA HIS A 86 -5.887 -0.937 6.177 1.00 0.00 C ATOM 916 C HIS A 86 -6.598 -1.873 7.165 1.00 0.00 C ATOM 917 O HIS A 86 -7.681 -1.561 7.672 1.00 0.00 O ATOM 918 CB HIS A 86 -5.589 0.378 6.908 1.00 0.00 C ATOM 919 CG HIS A 86 -4.627 0.235 8.061 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.333 0.696 8.082 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.856 -0.345 9.287 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.784 0.389 9.272 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.677 -0.254 10.037 1.00 0.00 N ATOM 0 H HIS A 86 -6.963 0.240 4.778 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.957 -1.400 5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.181 1.094 6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.525 0.796 7.279 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.866 1.189 7.321 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.783 -0.792 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.772 0.626 9.567 1.00 0.00 H new ATOM 931 N GLY A 87 -5.977 -3.009 7.477 1.00 0.00 N ATOM 932 CA GLY A 87 -6.412 -3.933 8.540 1.00 0.00 C ATOM 933 C GLY A 87 -7.459 -4.921 8.029 1.00 0.00 C ATOM 934 O GLY A 87 -7.904 -5.805 8.767 1.00 0.00 O ATOM 0 H GLY A 87 -5.138 -3.326 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.551 -4.480 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.824 -3.363 9.373 1.00 0.00 H new ATOM 938 N LYS A 88 -7.831 -4.770 6.760 1.00 0.00 N ATOM 939 CA LYS A 88 -8.612 -5.712 5.984 1.00 0.00 C ATOM 940 C LYS A 88 -7.655 -6.806 5.520 1.00 0.00 C ATOM 941 O LYS A 88 -6.478 -6.533 5.271 1.00 0.00 O ATOM 942 CB LYS A 88 -9.186 -4.945 4.785 1.00 0.00 C ATOM 943 CG LYS A 88 -10.544 -4.277 5.084 1.00 0.00 C ATOM 944 CD LYS A 88 -10.558 -3.098 6.082 1.00 0.00 C ATOM 945 CE LYS A 88 -10.135 -1.781 5.417 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.026 -0.653 6.381 1.00 0.00 N ATOM 0 H LYS A 88 -7.579 -3.940 6.223 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.429 -6.158 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.473 -4.181 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.303 -5.631 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.959 -3.923 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.220 -5.044 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.558 -2.988 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.887 -3.317 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.175 -1.922 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.858 -1.522 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.821 0.226 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.923 -0.550 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.258 -0.846 7.055 1.00 0.00 H new ATOM 960 N SER A 89 -8.147 -8.030 5.398 1.00 0.00 N ATOM 961 CA SER A 89 -7.297 -9.189 5.097 1.00 0.00 C ATOM 962 C SER A 89 -7.272 -9.492 3.612 1.00 0.00 C ATOM 963 O SER A 89 -8.309 -9.764 2.999 1.00 0.00 O ATOM 964 CB SER A 89 -7.721 -10.448 5.856 1.00 0.00 C ATOM 965 OG SER A 89 -7.921 -10.179 7.229 1.00 0.00 O ATOM 0 H SER A 89 -9.137 -8.254 5.502 1.00 0.00 H new ATOM 0 HA SER A 89 -6.297 -8.911 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.640 -10.843 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.958 -11.218 5.742 1.00 0.00 H new ATOM 0 HG SER A 89 -8.193 -11.002 7.687 1.00 0.00 H new ATOM 971 N PHE A 90 -6.069 -9.500 3.042 1.00 0.00 N ATOM 972 CA PHE A 90 -5.810 -9.978 1.685 1.00 0.00 C ATOM 973 C PHE A 90 -5.008 -11.290 1.689 1.00 0.00 C ATOM 974 O PHE A 90 -4.151 -11.492 2.549 1.00 0.00 O ATOM 975 CB PHE A 90 -5.129 -8.850 0.926 1.00 0.00 C ATOM 976 CG PHE A 90 -5.308 -8.982 -0.562 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.574 -9.925 -1.301 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.338 -8.245 -1.188 1.00 0.00 C ATOM 979 CE1 PHE A 90 -4.858 -10.126 -2.667 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.621 -8.446 -2.546 1.00 0.00 C ATOM 981 CZ PHE A 90 -5.885 -9.391 -3.282 1.00 0.00 C ATOM 0 H PHE A 90 -5.231 -9.168 3.519 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.741 -10.231 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.535 -7.894 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.065 -8.844 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.792 -10.496 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.908 -7.526 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.288 -10.843 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.403 -7.876 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.110 -9.553 -4.326 1.00 0.00 H new ATOM 991 N ALA A 91 -5.290 -12.180 0.736 1.00 0.00 N ATOM 992 CA ALA A 91 -4.784 -13.556 0.578 1.00 0.00 C ATOM 993 C ALA A 91 -4.987 -14.491 1.798 1.00 0.00 C ATOM 994 O ALA A 91 -5.649 -15.525 1.679 1.00 0.00 O ATOM 995 CB ALA A 91 -3.322 -13.507 0.102 1.00 0.00 C ATOM 0 H ALA A 91 -5.936 -11.940 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.405 -14.028 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.944 -14.522 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.268 -12.986 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.717 -12.978 0.838 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.449 -14.130 2.965 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.556 -14.849 4.244 1.00 0.00 C ATOM 1003 C ASN A 92 -4.373 -13.957 5.493 1.00 0.00 C ATOM 1004 O ASN A 92 -4.493 -14.472 6.611 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.533 -16.008 4.235 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.085 -15.547 4.136 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.555 -15.309 3.059 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.389 -15.400 5.240 1.00 0.00 N ATOM 0 H ASN A 92 -3.894 -13.279 3.051 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.575 -15.227 4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.656 -16.596 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.753 -16.668 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.418 -15.091 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.819 -15.595 6.144 1.00 0.00 H new ATOM 1015 N GLN A 93 -4.051 -12.658 5.364 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.661 -11.782 6.485 1.00 0.00 C ATOM 1017 C GLN A 93 -3.754 -10.277 6.132 1.00 0.00 C ATOM 1018 O GLN A 93 -3.934 -9.950 4.955 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.250 -12.176 6.990 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.135 -12.054 5.938 1.00 0.00 C ATOM 1021 CD GLN A 93 0.166 -12.757 6.331 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.555 -12.832 7.485 1.00 0.00 O ATOM 1023 NE2 GLN A 93 0.881 -13.332 5.377 1.00 0.00 N ATOM 0 H GLN A 93 -4.054 -12.179 4.464 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.377 -11.933 7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.996 -11.548 7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.281 -13.205 7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.491 -12.470 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.928 -10.998 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.572 -13.280 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.741 -13.827 5.612 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.690 -9.333 7.089 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.979 -7.928 6.800 1.00 0.00 C ATOM 1034 C PRO A 94 -2.846 -7.059 6.253 1.00 0.00 C ATOM 1035 O PRO A 94 -1.654 -7.296 6.464 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.510 -7.311 8.099 1.00 0.00 C ATOM 1037 CG PRO A 94 -4.830 -8.503 8.990 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.816 -9.545 8.525 1.00 0.00 C ATOM 0 HA PRO A 94 -4.690 -7.941 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.768 -6.660 8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.397 -6.704 7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.710 -8.264 10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.856 -8.847 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.858 -9.416 9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.159 -10.556 8.746 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.289 -5.986 5.601 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.506 -4.867 5.099 1.00 0.00 C ATOM 1048 C LEU A 95 -2.198 -3.812 6.178 1.00 0.00 C ATOM 1049 O LEU A 95 -2.996 -3.593 7.090 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.370 -4.230 3.994 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.570 -4.994 2.676 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.379 -5.821 2.236 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.800 -5.871 2.684 1.00 0.00 C ATOM 0 H LEU A 95 -4.282 -5.871 5.396 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.538 -5.222 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.356 -4.037 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.933 -3.262 3.751 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.700 -4.194 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.612 -6.324 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.516 -5.170 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.151 -6.565 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.887 -6.384 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.717 -6.607 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.685 -5.256 2.847 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.099 -3.074 6.003 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.650 -1.949 6.841 1.00 0.00 C ATOM 1067 C GLU A 96 -0.481 -0.678 5.987 1.00 0.00 C ATOM 1068 O GLU A 96 0.557 -0.023 5.877 1.00 0.00 O ATOM 1069 CB GLU A 96 0.594 -2.352 7.651 1.00 0.00 C ATOM 1070 CG GLU A 96 0.775 -1.425 8.861 1.00 0.00 C ATOM 1071 CD GLU A 96 1.976 -1.788 9.753 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.626 -2.837 9.537 1.00 0.00 O ATOM 1073 OE2 GLU A 96 2.265 -1.020 10.707 1.00 0.00 O ATOM 0 H GLU A 96 -0.459 -3.252 5.229 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.411 -1.700 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.496 -3.384 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.479 -2.307 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.895 -0.401 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.133 -1.450 9.464 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.562 -0.371 5.288 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.745 0.767 4.375 1.00 0.00 C ATOM 1082 C VAL A 97 -1.704 2.040 5.209 1.00 0.00 C ATOM 1083 O VAL A 97 -2.691 2.313 5.889 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.117 0.585 3.724 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.609 1.754 2.884 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.108 -0.673 2.835 1.00 0.00 C ATOM 0 H VAL A 97 -2.402 -0.948 5.342 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.974 0.826 3.607 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.808 0.501 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.590 1.518 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.683 2.645 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.907 1.938 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.087 -0.799 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.352 -0.564 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.879 -1.547 3.444 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.585 2.774 5.283 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.448 3.801 6.321 1.00 0.00 C ATOM 1098 C VAL A 98 0.562 4.912 5.952 1.00 0.00 C ATOM 1099 O VAL A 98 0.318 5.726 5.045 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.268 3.011 7.670 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.119 2.655 8.243 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -1.249 3.558 8.694 1.00 0.00 C ATOM 0 H VAL A 98 0.215 2.680 4.657 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.329 4.433 6.437 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.494 1.989 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.997 2.111 9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.659 2.033 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.683 3.570 8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.133 3.018 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.051 4.617 8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.267 3.432 8.326 1.00 0.00 H new ATOM 1112 N TYR A 99 1.749 4.887 6.545 1.00 0.00 N ATOM 1113 CA TYR A 99 2.908 5.761 6.332 1.00 0.00 C ATOM 1114 C TYR A 99 4.171 4.919 5.993 1.00 0.00 C ATOM 1115 O TYR A 99 5.309 5.357 6.102 1.00 0.00 O ATOM 1116 CB TYR A 99 3.044 6.619 7.598 1.00 0.00 C ATOM 1117 CG TYR A 99 1.766 7.288 8.098 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.841 7.824 7.188 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.481 7.350 9.479 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.359 8.406 7.618 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.280 7.939 9.926 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.647 8.467 8.998 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.810 9.032 9.427 1.00 0.00 O ATOM 0 H TYR A 99 1.949 4.186 7.259 1.00 0.00 H new ATOM 0 HA TYR A 99 2.782 6.421 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.437 5.991 8.397 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.786 7.395 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.060 7.787 6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.183 6.946 10.194 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.058 8.805 6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.067 7.987 10.984 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.852 8.992 10.405 1.00 0.00 H new ATOM 1133 N SER A 100 3.928 3.670 5.611 1.00 0.00 N ATOM 1134 CA SER A 100 4.757 2.485 5.357 1.00 0.00 C ATOM 1135 C SER A 100 6.022 2.175 6.179 1.00 0.00 C ATOM 1136 O SER A 100 6.675 1.168 5.902 1.00 0.00 O ATOM 1137 CB SER A 100 4.879 2.167 3.862 1.00 0.00 C ATOM 1138 OG SER A 100 6.050 2.734 3.302 1.00 0.00 O ATOM 0 H SER A 100 2.955 3.418 5.439 1.00 0.00 H new ATOM 0 HA SER A 100 4.132 1.744 5.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.893 1.086 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.003 2.547 3.336 1.00 0.00 H new ATOM 0 HG SER A 100 6.744 2.046 3.230 1.00 0.00 H new