USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 SER N :NH3+ -166:sc= -0.0486 (180deg=-0.269) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -49:sc= 0.924 USER MOD Single : A 8 CYS SG : rot 77:sc= 0.536 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0.994 (180deg=0.838) USER MOD Single : A 17 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.2) USER MOD Single : A 32 THR OG1 : rot -87:sc= 0.792 USER MOD Single : A 35 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 48 SER OG : rot -20:sc= 0.821 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.976) USER MOD Single : A 53 ASN : amide:sc= 0.316 K(o=0.32,f=-6.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 169:sc= -0.606 (180deg=-0.656) USER MOD Single : A 65 MET CE :methyl -164:sc=-0.00659 (180deg=-0.296) USER MOD Single : A 67 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0984 X(o=-0.098,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.123 1.688 4.277 1.00 0.00 N ATOM 2 CA SER A 1 -14.949 0.833 4.154 1.00 0.00 C ATOM 3 C SER A 1 -13.709 1.517 4.716 1.00 0.00 C ATOM 4 O SER A 1 -12.787 0.856 5.193 1.00 0.00 O ATOM 5 CB SER A 1 -14.730 0.452 2.703 1.00 0.00 C ATOM 6 OG SER A 1 -14.419 1.562 1.907 1.00 0.00 O ATOM 0 H1 SER A 1 -16.982 1.125 4.112 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.156 2.098 5.232 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.071 2.453 3.574 1.00 0.00 H new ATOM 0 HA SER A 1 -15.125 -0.072 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.923 -0.277 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.627 -0.031 2.316 1.00 0.00 H new ATOM 0 HG SER A 1 -14.284 1.273 0.980 1.00 0.00 H new ATOM 14 N GLU A 2 -13.692 2.844 4.655 1.00 0.00 N ATOM 15 CA GLU A 2 -12.528 3.616 5.073 1.00 0.00 C ATOM 16 C GLU A 2 -12.235 3.412 6.555 1.00 0.00 C ATOM 17 O GLU A 2 -11.088 3.509 6.989 1.00 0.00 O ATOM 18 CB GLU A 2 -12.737 5.103 4.779 1.00 0.00 C ATOM 19 CG GLU A 2 -12.705 5.461 3.300 1.00 0.00 C ATOM 20 CD GLU A 2 -13.011 6.917 3.083 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.299 7.593 4.042 1.00 0.00 O ATOM 22 OE2 GLU A 2 -12.847 7.381 1.980 1.00 0.00 O ATOM 0 H GLU A 2 -14.473 3.408 4.319 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.670 3.260 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.696 5.412 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.966 5.675 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.723 5.229 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.429 4.851 2.760 1.00 0.00 H new ATOM 29 N GLU A 3 -13.279 3.128 7.326 1.00 0.00 N ATOM 30 CA GLU A 3 -13.125 2.823 8.743 1.00 0.00 C ATOM 31 C GLU A 3 -12.174 1.652 8.954 1.00 0.00 C ATOM 32 O GLU A 3 -11.296 1.701 9.817 1.00 0.00 O ATOM 33 CB GLU A 3 -14.483 2.518 9.376 1.00 0.00 C ATOM 34 CG GLU A 3 -14.429 2.219 10.868 1.00 0.00 C ATOM 35 CD GLU A 3 -15.802 1.965 11.424 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.748 2.039 10.679 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.897 1.587 12.569 1.00 0.00 O ATOM 0 H GLU A 3 -14.243 3.103 6.992 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.698 3.701 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.146 3.368 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.926 1.665 8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.796 1.349 11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.971 3.058 11.393 1.00 0.00 H new ATOM 44 N GLU A 4 -12.353 0.600 8.162 1.00 0.00 N ATOM 45 CA GLU A 4 -11.508 -0.583 8.258 1.00 0.00 C ATOM 46 C GLU A 4 -10.164 -0.358 7.576 1.00 0.00 C ATOM 47 O GLU A 4 -9.142 -0.894 8.005 1.00 0.00 O ATOM 48 CB GLU A 4 -12.211 -1.796 7.644 1.00 0.00 C ATOM 49 CG GLU A 4 -13.443 -2.261 8.410 1.00 0.00 C ATOM 50 CD GLU A 4 -14.116 -3.411 7.713 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.653 -3.802 6.670 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.026 -3.971 8.279 1.00 0.00 O ATOM 0 H GLU A 4 -13.077 0.543 7.446 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.326 -0.776 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.503 -1.553 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.501 -2.621 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.156 -2.561 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.145 -1.433 8.512 1.00 0.00 H new ATOM 59 N LEU A 5 -10.172 0.437 6.513 1.00 0.00 N ATOM 60 CA LEU A 5 -8.957 0.721 5.758 1.00 0.00 C ATOM 61 C LEU A 5 -7.978 1.547 6.582 1.00 0.00 C ATOM 62 O LEU A 5 -6.763 1.424 6.425 1.00 0.00 O ATOM 63 CB LEU A 5 -9.302 1.447 4.452 1.00 0.00 C ATOM 64 CG LEU A 5 -10.063 0.608 3.419 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.484 1.481 2.243 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.183 -0.541 2.949 1.00 0.00 C ATOM 0 H LEU A 5 -11.008 0.898 6.153 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.477 -0.228 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.898 2.328 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.377 1.802 3.997 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.962 0.197 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.024 0.875 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.131 2.283 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.599 1.910 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.725 -1.137 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.276 -0.142 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.917 -1.168 3.800 1.00 0.00 H new ATOM 78 N SER A 6 -8.513 2.389 7.459 1.00 0.00 N ATOM 79 CA SER A 6 -7.688 3.184 8.360 1.00 0.00 C ATOM 80 C SER A 6 -6.994 2.305 9.393 1.00 0.00 C ATOM 81 O SER A 6 -5.942 2.665 9.921 1.00 0.00 O ATOM 82 CB SER A 6 -8.532 4.240 9.046 1.00 0.00 C ATOM 83 OG SER A 6 -9.466 3.677 9.927 1.00 0.00 O ATOM 0 H SER A 6 -9.516 2.539 7.565 1.00 0.00 H new ATOM 0 HA SER A 6 -6.917 3.676 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.883 4.923 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.054 4.831 8.294 1.00 0.00 H new ATOM 0 HG SER A 6 -9.949 2.955 9.474 1.00 0.00 H new ATOM 89 N GLU A 7 -7.590 1.152 9.676 1.00 0.00 N ATOM 90 CA GLU A 7 -6.973 0.169 10.558 1.00 0.00 C ATOM 91 C GLU A 7 -5.882 -0.612 9.835 1.00 0.00 C ATOM 92 O GLU A 7 -4.825 -0.890 10.401 1.00 0.00 O ATOM 93 CB GLU A 7 -8.029 -0.792 11.111 1.00 0.00 C ATOM 94 CG GLU A 7 -9.031 -0.147 12.057 1.00 0.00 C ATOM 95 CD GLU A 7 -10.084 -1.130 12.489 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.064 -2.240 12.015 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.839 -0.808 13.376 1.00 0.00 O ATOM 0 H GLU A 7 -8.500 0.875 9.307 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.514 0.707 11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.570 -1.237 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.525 -1.605 11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.510 0.240 12.933 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.504 0.703 11.565 1.00 0.00 H new ATOM 104 N CYS A 8 -6.145 -0.964 8.581 1.00 0.00 N ATOM 105 CA CYS A 8 -5.148 -1.622 7.745 1.00 0.00 C ATOM 106 C CYS A 8 -3.912 -0.748 7.571 1.00 0.00 C ATOM 107 O CYS A 8 -2.784 -1.234 7.640 1.00 0.00 O ATOM 108 CB CYS A 8 -5.882 -1.787 6.413 1.00 0.00 C ATOM 109 SG CYS A 8 -7.254 -2.966 6.456 1.00 0.00 S ATOM 0 H CYS A 8 -7.041 -0.804 8.121 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.787 -2.560 8.166 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.264 -0.815 6.100 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.167 -2.108 5.655 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.278 -2.419 7.042 1.00 0.00 H new ATOM 115 N PHE A 9 -4.133 0.542 7.345 1.00 0.00 N ATOM 116 CA PHE A 9 -3.037 1.489 7.176 1.00 0.00 C ATOM 117 C PHE A 9 -2.084 1.446 8.364 1.00 0.00 C ATOM 118 O PHE A 9 -0.866 1.400 8.193 1.00 0.00 O ATOM 119 CB PHE A 9 -3.580 2.907 6.987 1.00 0.00 C ATOM 120 CG PHE A 9 -2.510 3.946 6.808 1.00 0.00 C ATOM 121 CD1 PHE A 9 -1.923 4.152 5.569 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.088 4.720 7.880 1.00 0.00 C ATOM 123 CE1 PHE A 9 -0.938 5.108 5.404 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.105 5.677 7.716 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.530 5.871 6.477 1.00 0.00 C ATOM 0 H PHE A 9 -5.062 0.956 7.274 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.481 1.201 6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.237 2.922 6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.189 3.171 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.239 3.559 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.533 4.573 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.488 5.257 4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.787 6.273 8.558 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.238 6.619 6.348 1.00 0.00 H new ATOM 135 N ARG A 10 -2.646 1.462 9.568 1.00 0.00 N ATOM 136 CA ARG A 10 -1.846 1.436 10.787 1.00 0.00 C ATOM 137 C ARG A 10 -1.065 0.134 10.906 1.00 0.00 C ATOM 138 O ARG A 10 0.042 0.110 11.441 1.00 0.00 O ATOM 139 CB ARG A 10 -2.685 1.698 12.028 1.00 0.00 C ATOM 140 CG ARG A 10 -3.202 3.122 12.163 1.00 0.00 C ATOM 141 CD ARG A 10 -4.086 3.344 13.335 1.00 0.00 C ATOM 142 NE ARG A 10 -4.580 4.706 13.467 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.447 5.116 14.414 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.948 4.271 15.288 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.801 6.390 14.427 1.00 0.00 N ATOM 0 H ARG A 10 -3.653 1.493 9.726 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.126 2.251 10.716 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.536 1.017 12.024 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.089 1.458 12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.351 3.800 12.231 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.747 3.385 11.257 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.937 2.667 13.266 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.541 3.079 14.241 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.247 5.399 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.682 3.287 15.256 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.603 4.600 15.998 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.420 7.032 13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.455 6.730 15.131 1.00 0.00 H new ATOM 159 N ILE A 11 -1.650 -0.948 10.404 1.00 0.00 N ATOM 160 CA ILE A 11 -0.988 -2.248 10.405 1.00 0.00 C ATOM 161 C ILE A 11 0.245 -2.238 9.510 1.00 0.00 C ATOM 162 O ILE A 11 1.302 -2.743 9.889 1.00 0.00 O ATOM 163 CB ILE A 11 -1.938 -3.367 9.943 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.044 -3.590 10.978 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.165 -4.654 9.699 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.170 -4.470 10.487 1.00 0.00 C ATOM 0 H ILE A 11 -2.582 -0.951 9.991 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.685 -2.445 11.433 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.402 -3.063 9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.608 -4.038 11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.453 -2.624 11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.852 -5.435 9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.414 -4.486 8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.675 -4.964 10.622 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.915 -4.582 11.275 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.633 -4.014 9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.775 -5.450 10.219 1.00 0.00 H new ATOM 178 N PHE A 12 0.103 -1.662 8.322 1.00 0.00 N ATOM 179 CA PHE A 12 1.163 -1.695 7.322 1.00 0.00 C ATOM 180 C PHE A 12 2.190 -0.597 7.570 1.00 0.00 C ATOM 181 O PHE A 12 3.358 -0.734 7.209 1.00 0.00 O ATOM 182 CB PHE A 12 0.577 -1.560 5.916 1.00 0.00 C ATOM 183 CG PHE A 12 -0.246 -2.741 5.486 1.00 0.00 C ATOM 184 CD1 PHE A 12 0.347 -3.972 5.254 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.618 -2.622 5.314 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.408 -5.058 4.858 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.377 -3.708 4.920 1.00 0.00 C ATOM 188 CZ PHE A 12 -1.772 -4.926 4.690 1.00 0.00 C ATOM 0 H PHE A 12 -0.738 -1.165 8.027 1.00 0.00 H new ATOM 0 HA PHE A 12 1.668 -2.657 7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.042 -0.664 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.391 -1.418 5.205 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.413 -4.083 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.098 -1.671 5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.068 -6.011 4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.444 -3.603 4.792 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.364 -5.774 4.379 1.00 0.00 H new ATOM 198 N ASP A 13 1.745 0.492 8.188 1.00 0.00 N ATOM 199 CA ASP A 13 2.651 1.545 8.631 1.00 0.00 C ATOM 200 C ASP A 13 3.319 1.179 9.950 1.00 0.00 C ATOM 201 O ASP A 13 3.031 1.774 10.988 1.00 0.00 O ATOM 202 CB ASP A 13 1.902 2.873 8.771 1.00 0.00 C ATOM 203 CG ASP A 13 2.800 4.080 9.005 1.00 0.00 C ATOM 204 OD1 ASP A 13 3.997 3.929 8.928 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.286 5.169 9.101 1.00 0.00 O ATOM 0 H ASP A 13 0.762 0.668 8.393 1.00 0.00 H new ATOM 0 HA ASP A 13 3.428 1.655 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.315 3.042 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.198 2.793 9.599 1.00 0.00 H new ATOM 210 N LYS A 14 4.211 0.196 9.903 1.00 0.00 N ATOM 211 CA LYS A 14 4.793 -0.370 11.114 1.00 0.00 C ATOM 212 C LYS A 14 5.773 0.603 11.759 1.00 0.00 C ATOM 213 O LYS A 14 5.987 0.569 12.972 1.00 0.00 O ATOM 214 CB LYS A 14 5.493 -1.693 10.805 1.00 0.00 C ATOM 215 CG LYS A 14 4.553 -2.821 10.397 1.00 0.00 C ATOM 216 CD LYS A 14 5.327 -4.034 9.902 1.00 0.00 C ATOM 217 CE LYS A 14 4.389 -5.151 9.468 1.00 0.00 C ATOM 218 NZ LYS A 14 5.097 -6.200 8.687 1.00 0.00 N ATOM 0 H LYS A 14 4.547 -0.226 9.037 1.00 0.00 H new ATOM 0 HA LYS A 14 3.982 -0.556 11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.215 -1.530 10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.057 -2.006 11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.932 -3.105 11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.881 -2.471 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.963 -3.745 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.985 -4.395 10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.930 -5.602 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.582 -4.733 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.501 -7.051 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.292 -5.847 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.994 -6.437 9.157 1.00 0.00 H new ATOM 232 N ASP A 15 6.365 1.467 10.943 1.00 0.00 N ATOM 233 CA ASP A 15 7.313 2.460 11.435 1.00 0.00 C ATOM 234 C ASP A 15 6.591 3.666 12.024 1.00 0.00 C ATOM 235 O ASP A 15 7.163 4.420 12.811 1.00 0.00 O ATOM 236 CB ASP A 15 8.253 2.907 10.313 1.00 0.00 C ATOM 237 CG ASP A 15 9.283 1.862 9.903 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.451 0.907 10.624 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.777 1.944 8.803 1.00 0.00 O ATOM 0 H ASP A 15 6.205 1.500 9.936 1.00 0.00 H new ATOM 0 HA ASP A 15 7.902 1.995 12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.657 3.174 9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.775 3.810 10.631 1.00 0.00 H new ATOM 244 N GLY A 16 5.332 3.842 11.637 1.00 0.00 N ATOM 245 CA GLY A 16 4.545 4.983 12.088 1.00 0.00 C ATOM 246 C GLY A 16 5.002 6.270 11.411 1.00 0.00 C ATOM 247 O GLY A 16 5.093 7.319 12.047 1.00 0.00 O ATOM 0 H GLY A 16 4.835 3.208 11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.491 4.810 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.635 5.086 13.169 1.00 0.00 H new ATOM 251 N ASN A 17 5.287 6.181 10.116 1.00 0.00 N ATOM 252 CA ASN A 17 5.860 7.302 9.380 1.00 0.00 C ATOM 253 C ASN A 17 4.771 8.223 8.843 1.00 0.00 C ATOM 254 O ASN A 17 5.031 9.379 8.513 1.00 0.00 O ATOM 255 CB ASN A 17 6.750 6.824 8.247 1.00 0.00 C ATOM 256 CG ASN A 17 8.028 6.183 8.710 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.513 6.447 9.816 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.618 5.407 7.837 1.00 0.00 N ATOM 0 H ASN A 17 5.130 5.344 9.555 1.00 0.00 H new ATOM 0 HA ASN A 17 6.475 7.867 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.196 6.110 7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.991 7.671 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.522 4.988 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.174 5.221 6.938 1.00 0.00 H new ATOM 265 N GLY A 18 3.553 7.701 8.759 1.00 0.00 N ATOM 266 CA GLY A 18 2.431 8.460 8.217 1.00 0.00 C ATOM 267 C GLY A 18 2.249 8.186 6.729 1.00 0.00 C ATOM 268 O GLY A 18 1.556 8.927 6.032 1.00 0.00 O ATOM 0 H GLY A 18 3.317 6.755 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.518 8.198 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.598 9.525 8.376 1.00 0.00 H new ATOM 272 N PHE A 19 2.874 7.117 6.248 1.00 0.00 N ATOM 273 CA PHE A 19 2.730 6.706 4.856 1.00 0.00 C ATOM 274 C PHE A 19 3.198 5.270 4.655 1.00 0.00 C ATOM 275 O PHE A 19 3.849 4.692 5.524 1.00 0.00 O ATOM 276 CB PHE A 19 3.511 7.647 3.938 1.00 0.00 C ATOM 277 CG PHE A 19 4.986 7.686 4.222 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.838 6.746 3.662 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.523 8.662 5.047 1.00 0.00 C ATOM 280 CE1 PHE A 19 7.195 6.780 3.922 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.879 8.698 5.308 1.00 0.00 C ATOM 282 CZ PHE A 19 7.716 7.756 4.744 1.00 0.00 C ATOM 0 H PHE A 19 3.486 6.518 6.802 1.00 0.00 H new ATOM 0 HA PHE A 19 1.672 6.758 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.358 7.340 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.105 8.654 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.437 5.979 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.874 9.403 5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.848 6.041 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.284 9.463 5.953 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.776 7.784 4.946 1.00 0.00 H new ATOM 292 N ILE A 20 2.861 4.700 3.503 1.00 0.00 N ATOM 293 CA ILE A 20 3.295 3.351 3.160 1.00 0.00 C ATOM 294 C ILE A 20 4.492 3.382 2.217 1.00 0.00 C ATOM 295 O ILE A 20 4.415 3.934 1.120 1.00 0.00 O ATOM 296 CB ILE A 20 2.159 2.541 2.509 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.950 2.470 3.444 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.643 1.143 2.151 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.246 1.824 4.778 1.00 0.00 C ATOM 0 H ILE A 20 2.288 5.152 2.790 1.00 0.00 H new ATOM 0 HA ILE A 20 3.584 2.866 4.092 1.00 0.00 H new ATOM 0 HB ILE A 20 1.854 3.045 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.575 3.479 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.153 1.914 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.829 0.583 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.475 1.214 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.973 0.630 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.341 1.811 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.591 0.802 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.020 2.392 5.294 1.00 0.00 H new ATOM 311 N ASP A 21 5.595 2.783 2.650 1.00 0.00 N ATOM 312 CA ASP A 21 6.798 2.707 1.830 1.00 0.00 C ATOM 313 C ASP A 21 6.735 1.528 0.868 1.00 0.00 C ATOM 314 O ASP A 21 5.808 0.720 0.921 1.00 0.00 O ATOM 315 CB ASP A 21 8.044 2.599 2.714 1.00 0.00 C ATOM 316 CG ASP A 21 9.318 3.130 2.071 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.268 3.515 0.927 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.289 3.293 2.771 1.00 0.00 O ATOM 0 H ASP A 21 5.681 2.342 3.566 1.00 0.00 H new ATOM 0 HA ASP A 21 6.859 3.623 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.865 3.143 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.195 1.553 2.982 1.00 0.00 H new ATOM 323 N ARG A 22 7.727 1.434 -0.012 1.00 0.00 N ATOM 324 CA ARG A 22 7.810 0.329 -0.959 1.00 0.00 C ATOM 325 C ARG A 22 7.958 -1.004 -0.239 1.00 0.00 C ATOM 326 O ARG A 22 7.357 -2.004 -0.632 1.00 0.00 O ATOM 327 CB ARG A 22 8.913 0.535 -1.986 1.00 0.00 C ATOM 328 CG ARG A 22 8.628 1.605 -3.027 1.00 0.00 C ATOM 329 CD ARG A 22 9.568 1.606 -4.177 1.00 0.00 C ATOM 330 NE ARG A 22 10.942 1.935 -3.831 1.00 0.00 N ATOM 331 CZ ARG A 22 11.436 3.186 -3.763 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.685 4.227 -4.050 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.703 3.340 -3.421 1.00 0.00 N ATOM 0 H ARG A 22 8.486 2.111 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 22 6.869 0.307 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.833 0.795 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.094 -0.410 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.614 1.469 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.661 2.582 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.550 0.622 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.213 2.320 -4.920 1.00 0.00 H new ATOM 0 HE ARG A 22 11.576 1.163 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.713 4.093 -4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.075 5.168 -3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.279 2.523 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.105 4.276 -3.361 1.00 0.00 H new ATOM 347 N GLU A 23 8.762 -1.013 0.820 1.00 0.00 N ATOM 348 CA GLU A 23 8.965 -2.216 1.618 1.00 0.00 C ATOM 349 C GLU A 23 7.697 -2.598 2.371 1.00 0.00 C ATOM 350 O GLU A 23 7.406 -3.778 2.558 1.00 0.00 O ATOM 351 CB GLU A 23 10.121 -2.019 2.600 1.00 0.00 C ATOM 352 CG GLU A 23 11.494 -1.947 1.949 1.00 0.00 C ATOM 353 CD GLU A 23 12.564 -1.646 2.962 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.233 -1.437 4.104 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.720 -1.735 2.620 1.00 0.00 O ATOM 0 H GLU A 23 9.284 -0.199 1.145 1.00 0.00 H new ATOM 0 HA GLU A 23 9.215 -3.029 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.951 -1.101 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.115 -2.839 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.714 -2.893 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.493 -1.177 1.178 1.00 0.00 H new ATOM 362 N GLU A 24 6.945 -1.590 2.803 1.00 0.00 N ATOM 363 CA GLU A 24 5.680 -1.817 3.489 1.00 0.00 C ATOM 364 C GLU A 24 4.579 -2.193 2.505 1.00 0.00 C ATOM 365 O GLU A 24 3.605 -2.851 2.871 1.00 0.00 O ATOM 366 CB GLU A 24 5.272 -0.576 4.286 1.00 0.00 C ATOM 367 CG GLU A 24 6.263 -0.169 5.368 1.00 0.00 C ATOM 368 CD GLU A 24 5.806 1.068 6.089 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.478 2.028 5.434 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.677 1.017 7.290 1.00 0.00 O ATOM 0 H GLU A 24 7.192 -0.607 2.689 1.00 0.00 H new ATOM 0 HA GLU A 24 5.820 -2.650 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.143 0.258 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.302 -0.759 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.382 -0.985 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.241 0.009 4.920 1.00 0.00 H new ATOM 377 N PHE A 25 4.740 -1.770 1.256 1.00 0.00 N ATOM 378 CA PHE A 25 3.873 -2.227 0.176 1.00 0.00 C ATOM 379 C PHE A 25 4.107 -3.701 -0.132 1.00 0.00 C ATOM 380 O PHE A 25 3.176 -4.427 -0.482 1.00 0.00 O ATOM 381 CB PHE A 25 4.098 -1.385 -1.082 1.00 0.00 C ATOM 382 CG PHE A 25 3.266 -1.815 -2.256 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.894 -1.607 -2.264 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.851 -2.428 -3.353 1.00 0.00 C ATOM 385 CE1 PHE A 25 1.127 -2.001 -3.344 1.00 0.00 C ATOM 386 CE2 PHE A 25 3.087 -2.823 -4.434 1.00 0.00 C ATOM 387 CZ PHE A 25 1.723 -2.609 -4.429 1.00 0.00 C ATOM 0 H PHE A 25 5.463 -1.111 0.966 1.00 0.00 H new ATOM 0 HA PHE A 25 2.840 -2.107 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.877 -0.342 -0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.151 -1.435 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.421 -1.132 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.917 -2.599 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.060 -1.833 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.556 -3.299 -5.282 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.124 -2.917 -5.273 1.00 0.00 H new ATOM 397 N GLY A 26 5.354 -4.137 0.000 1.00 0.00 N ATOM 398 CA GLY A 26 5.686 -5.554 -0.099 1.00 0.00 C ATOM 399 C GLY A 26 4.863 -6.380 0.882 1.00 0.00 C ATOM 400 O GLY A 26 4.420 -7.482 0.559 1.00 0.00 O ATOM 0 H GLY A 26 6.154 -3.529 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.504 -5.903 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.748 -5.697 0.102 1.00 0.00 H new ATOM 404 N ASP A 27 4.665 -5.842 2.080 1.00 0.00 N ATOM 405 CA ASP A 27 3.846 -6.502 3.090 1.00 0.00 C ATOM 406 C ASP A 27 2.379 -6.529 2.678 1.00 0.00 C ATOM 407 O ASP A 27 1.665 -7.495 2.949 1.00 0.00 O ATOM 408 CB ASP A 27 3.998 -5.805 4.445 1.00 0.00 C ATOM 409 CG ASP A 27 5.326 -6.068 5.140 1.00 0.00 C ATOM 410 OD1 ASP A 27 6.046 -6.933 4.698 1.00 0.00 O ATOM 411 OD2 ASP A 27 5.681 -5.305 6.006 1.00 0.00 O ATOM 0 H ASP A 27 5.061 -4.950 2.376 1.00 0.00 H new ATOM 0 HA ASP A 27 4.195 -7.531 3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.883 -4.731 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.189 -6.129 5.099 1.00 0.00 H new ATOM 416 N ILE A 28 1.934 -5.463 2.021 1.00 0.00 N ATOM 417 CA ILE A 28 0.566 -5.385 1.526 1.00 0.00 C ATOM 418 C ILE A 28 0.282 -6.487 0.513 1.00 0.00 C ATOM 419 O ILE A 28 -0.714 -7.202 0.623 1.00 0.00 O ATOM 420 CB ILE A 28 0.277 -4.019 0.877 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.290 -2.912 1.935 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.058 -4.047 0.149 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.232 -1.516 1.359 1.00 0.00 C ATOM 0 H ILE A 28 2.502 -4.640 1.819 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.087 -5.513 2.389 1.00 0.00 H new ATOM 0 HB ILE A 28 1.060 -3.809 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.557 -3.054 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.193 -3.009 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.246 -3.073 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.032 -4.810 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.854 -4.278 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.245 -0.787 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.093 -1.354 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.684 -1.399 0.780 1.00 0.00 H new ATOM 435 N ILE A 29 1.162 -6.619 -0.473 1.00 0.00 N ATOM 436 CA ILE A 29 0.982 -7.603 -1.534 1.00 0.00 C ATOM 437 C ILE A 29 1.279 -9.011 -1.034 1.00 0.00 C ATOM 438 O ILE A 29 0.899 -9.997 -1.665 1.00 0.00 O ATOM 439 CB ILE A 29 1.881 -7.298 -2.745 1.00 0.00 C ATOM 440 CG1 ILE A 29 3.358 -7.384 -2.350 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.559 -5.925 -3.315 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.311 -7.262 -3.518 1.00 0.00 C ATOM 0 H ILE A 29 2.008 -6.056 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.061 -7.544 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 29 1.687 -8.044 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.578 -6.596 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.535 -8.334 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.204 -5.726 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.517 -5.898 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.725 -5.166 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.338 -7.332 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.120 -8.065 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.164 -6.300 -4.009 1.00 0.00 H new ATOM 454 N ARG A 30 1.962 -9.099 0.102 1.00 0.00 N ATOM 455 CA ARG A 30 2.249 -10.386 0.726 1.00 0.00 C ATOM 456 C ARG A 30 1.008 -10.961 1.396 1.00 0.00 C ATOM 457 O ARG A 30 0.751 -12.163 1.321 1.00 0.00 O ATOM 458 CB ARG A 30 3.419 -10.305 1.696 1.00 0.00 C ATOM 459 CG ARG A 30 3.811 -11.627 2.336 1.00 0.00 C ATOM 460 CD ARG A 30 5.016 -11.554 3.202 1.00 0.00 C ATOM 461 NE ARG A 30 5.398 -12.818 3.811 1.00 0.00 N ATOM 462 CZ ARG A 30 6.426 -12.976 4.667 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.201 -11.963 4.989 1.00 0.00 N ATOM 464 NH2 ARG A 30 6.651 -14.182 5.157 1.00 0.00 N ATOM 0 H ARG A 30 2.328 -8.294 0.610 1.00 0.00 H new ATOM 0 HA ARG A 30 2.546 -11.069 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.283 -9.903 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.170 -9.596 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.973 -11.992 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.988 -12.360 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.852 -11.183 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.837 -10.824 3.992 1.00 0.00 H new ATOM 0 HE ARG A 30 4.848 -13.644 3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.028 -11.041 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.975 -12.100 5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.054 -14.963 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.422 -14.333 5.807 1.00 0.00 H new ATOM 478 N LEU A 31 0.241 -10.098 2.053 1.00 0.00 N ATOM 479 CA LEU A 31 -0.882 -10.538 2.871 1.00 0.00 C ATOM 480 C LEU A 31 -2.170 -10.588 2.059 1.00 0.00 C ATOM 481 O LEU A 31 -3.131 -11.254 2.443 1.00 0.00 O ATOM 482 CB LEU A 31 -1.051 -9.611 4.082 1.00 0.00 C ATOM 483 CG LEU A 31 0.126 -9.603 5.066 1.00 0.00 C ATOM 484 CD1 LEU A 31 -0.159 -8.641 6.212 1.00 0.00 C ATOM 485 CD2 LEU A 31 0.360 -11.012 5.590 1.00 0.00 C ATOM 0 H LEU A 31 0.377 -9.087 2.035 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.668 -11.547 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.210 -8.595 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.952 -9.903 4.621 1.00 0.00 H new ATOM 0 HG LEU A 31 1.027 -9.266 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.682 -8.642 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.302 -7.636 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.062 -8.956 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.196 -11.006 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.537 -11.364 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.588 -11.677 4.757 1.00 0.00 H new ATOM 497 N THR A 32 -2.183 -9.881 0.935 1.00 0.00 N ATOM 498 CA THR A 32 -3.344 -9.863 0.054 1.00 0.00 C ATOM 499 C THR A 32 -3.228 -10.925 -1.033 1.00 0.00 C ATOM 500 O THR A 32 -4.140 -11.101 -1.841 1.00 0.00 O ATOM 501 CB THR A 32 -3.530 -8.485 -0.608 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.349 -8.141 -1.343 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.795 -7.419 0.446 1.00 0.00 C ATOM 0 H THR A 32 -1.401 -9.312 0.612 1.00 0.00 H new ATOM 0 HA THR A 32 -4.213 -10.077 0.676 1.00 0.00 H new ATOM 0 HB THR A 32 -4.384 -8.535 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.711 -7.695 -0.747 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.924 -6.452 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.700 -7.671 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.951 -7.370 1.134 1.00 0.00 H new ATOM 511 N GLY A 33 -2.102 -11.630 -1.047 1.00 0.00 N ATOM 512 CA GLY A 33 -1.920 -12.765 -1.943 1.00 0.00 C ATOM 513 C GLY A 33 -1.670 -12.302 -3.373 1.00 0.00 C ATOM 514 O GLY A 33 -2.251 -12.835 -4.319 1.00 0.00 O ATOM 0 H GLY A 33 -1.301 -11.435 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.080 -13.370 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.805 -13.401 -1.913 1.00 0.00 H new ATOM 518 N GLU A 34 -0.801 -11.308 -3.525 1.00 0.00 N ATOM 519 CA GLU A 34 -0.487 -10.758 -4.837 1.00 0.00 C ATOM 520 C GLU A 34 0.949 -11.067 -5.236 1.00 0.00 C ATOM 521 O GLU A 34 1.893 -10.505 -4.680 1.00 0.00 O ATOM 522 CB GLU A 34 -0.724 -9.246 -4.855 1.00 0.00 C ATOM 523 CG GLU A 34 -2.189 -8.838 -4.789 1.00 0.00 C ATOM 524 CD GLU A 34 -2.957 -9.366 -5.970 1.00 0.00 C ATOM 525 OE1 GLU A 34 -2.478 -9.238 -7.071 1.00 0.00 O ATOM 526 OE2 GLU A 34 -3.968 -9.995 -5.762 1.00 0.00 O ATOM 0 H GLU A 34 -0.301 -10.867 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.150 -11.229 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.196 -8.798 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.285 -8.833 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.632 -9.214 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.265 -7.751 -4.759 1.00 0.00 H new ATOM 533 N GLN A 35 1.110 -11.964 -6.204 1.00 0.00 N ATOM 534 CA GLN A 35 2.434 -12.370 -6.660 1.00 0.00 C ATOM 535 C GLN A 35 2.933 -11.468 -7.780 1.00 0.00 C ATOM 536 O GLN A 35 2.550 -11.631 -8.939 1.00 0.00 O ATOM 537 CB GLN A 35 2.412 -13.825 -7.138 1.00 0.00 C ATOM 538 CG GLN A 35 2.095 -14.835 -6.048 1.00 0.00 C ATOM 539 CD GLN A 35 3.177 -14.900 -4.987 1.00 0.00 C ATOM 540 OE1 GLN A 35 4.368 -14.995 -5.300 1.00 0.00 O ATOM 541 NE2 GLN A 35 2.770 -14.853 -3.724 1.00 0.00 N ATOM 0 H GLN A 35 0.339 -12.424 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 35 3.117 -12.279 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.674 -13.923 -7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.382 -14.068 -7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.146 -14.574 -5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.969 -15.821 -6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.776 -14.774 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.452 -14.896 -2.967 1.00 0.00 H new ATOM 550 N LEU A 36 3.790 -10.515 -7.429 1.00 0.00 N ATOM 551 CA LEU A 36 4.243 -9.504 -8.377 1.00 0.00 C ATOM 552 C LEU A 36 5.729 -9.656 -8.674 1.00 0.00 C ATOM 553 O LEU A 36 6.491 -10.154 -7.844 1.00 0.00 O ATOM 554 CB LEU A 36 3.948 -8.100 -7.836 1.00 0.00 C ATOM 555 CG LEU A 36 2.478 -7.831 -7.486 1.00 0.00 C ATOM 556 CD1 LEU A 36 2.332 -6.441 -6.882 1.00 0.00 C ATOM 557 CD2 LEU A 36 1.624 -7.968 -8.737 1.00 0.00 C ATOM 0 H LEU A 36 4.185 -10.422 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 36 3.697 -9.645 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.553 -7.937 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.269 -7.368 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 36 2.140 -8.560 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.286 -6.259 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.934 -6.373 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.672 -5.695 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.580 -7.777 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.956 -7.248 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.723 -8.977 -9.136 1.00 0.00 H new ATOM 569 N THR A 37 6.137 -9.223 -9.862 1.00 0.00 N ATOM 570 CA THR A 37 7.553 -9.127 -10.198 1.00 0.00 C ATOM 571 C THR A 37 8.151 -7.820 -9.693 1.00 0.00 C ATOM 572 O THR A 37 7.436 -6.950 -9.196 1.00 0.00 O ATOM 573 CB THR A 37 7.781 -9.231 -11.717 1.00 0.00 C ATOM 574 OG1 THR A 37 7.214 -8.086 -12.368 1.00 0.00 O ATOM 575 CG2 THR A 37 7.137 -10.494 -12.268 1.00 0.00 C ATOM 0 H THR A 37 5.506 -8.933 -10.609 1.00 0.00 H new ATOM 0 HA THR A 37 8.050 -9.964 -9.707 1.00 0.00 H new ATOM 0 HB THR A 37 8.854 -9.271 -11.906 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.361 -8.153 -13.335 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.308 -10.551 -13.343 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.575 -11.367 -11.784 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.065 -10.471 -12.072 1.00 0.00 H new ATOM 583 N ASP A 38 9.467 -7.689 -9.823 1.00 0.00 N ATOM 584 CA ASP A 38 10.156 -6.464 -9.434 1.00 0.00 C ATOM 585 C ASP A 38 9.566 -5.252 -10.143 1.00 0.00 C ATOM 586 O ASP A 38 9.456 -4.173 -9.560 1.00 0.00 O ATOM 587 CB ASP A 38 11.653 -6.573 -9.737 1.00 0.00 C ATOM 588 CG ASP A 38 12.418 -7.499 -8.801 1.00 0.00 C ATOM 589 OD1 ASP A 38 11.868 -7.882 -7.795 1.00 0.00 O ATOM 590 OD2 ASP A 38 13.480 -7.940 -9.171 1.00 0.00 O ATOM 0 H ASP A 38 10.078 -8.416 -10.195 1.00 0.00 H new ATOM 0 HA ASP A 38 10.020 -6.331 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.779 -6.926 -10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.095 -5.578 -9.686 1.00 0.00 H new ATOM 595 N GLU A 39 9.188 -5.435 -11.403 1.00 0.00 N ATOM 596 CA GLU A 39 8.610 -4.356 -12.195 1.00 0.00 C ATOM 597 C GLU A 39 7.157 -4.107 -11.808 1.00 0.00 C ATOM 598 O GLU A 39 6.724 -2.960 -11.689 1.00 0.00 O ATOM 599 CB GLU A 39 8.710 -4.673 -13.688 1.00 0.00 C ATOM 600 CG GLU A 39 10.128 -4.671 -14.238 1.00 0.00 C ATOM 601 CD GLU A 39 10.157 -5.099 -15.680 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.120 -5.437 -16.199 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.191 -4.981 -16.293 1.00 0.00 O ATOM 0 H GLU A 39 9.272 -6.322 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 39 9.178 -3.449 -11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.264 -5.651 -13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.118 -3.945 -14.242 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.555 -3.672 -14.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.751 -5.341 -13.645 1.00 0.00 H new ATOM 610 N ASP A 40 6.409 -5.187 -11.615 1.00 0.00 N ATOM 611 CA ASP A 40 4.988 -5.089 -11.301 1.00 0.00 C ATOM 612 C ASP A 40 4.764 -4.370 -9.977 1.00 0.00 C ATOM 613 O ASP A 40 3.813 -3.604 -9.829 1.00 0.00 O ATOM 614 CB ASP A 40 4.351 -6.480 -11.258 1.00 0.00 C ATOM 615 CG ASP A 40 4.182 -7.137 -12.621 1.00 0.00 C ATOM 616 OD1 ASP A 40 4.311 -6.453 -13.608 1.00 0.00 O ATOM 617 OD2 ASP A 40 4.083 -8.340 -12.670 1.00 0.00 O ATOM 0 H ASP A 40 6.763 -6.142 -11.670 1.00 0.00 H new ATOM 0 HA ASP A 40 4.513 -4.506 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.963 -7.127 -10.630 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.374 -6.404 -10.781 1.00 0.00 H new ATOM 622 N VAL A 41 5.647 -4.621 -9.016 1.00 0.00 N ATOM 623 CA VAL A 41 5.579 -3.959 -7.719 1.00 0.00 C ATOM 624 C VAL A 41 5.798 -2.458 -7.855 1.00 0.00 C ATOM 625 O VAL A 41 5.064 -1.658 -7.274 1.00 0.00 O ATOM 626 CB VAL A 41 6.616 -4.532 -6.736 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.704 -3.665 -5.489 1.00 0.00 C ATOM 628 CG2 VAL A 41 6.262 -5.963 -6.362 1.00 0.00 C ATOM 0 H VAL A 41 6.420 -5.280 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 41 4.579 -4.143 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 41 7.590 -4.533 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.442 -4.085 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.002 -2.655 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.731 -3.633 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.006 -6.352 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.279 -5.983 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.247 -6.581 -7.260 1.00 0.00 H new ATOM 638 N ASP A 42 6.811 -2.081 -8.627 1.00 0.00 N ATOM 639 CA ASP A 42 7.142 -0.674 -8.826 1.00 0.00 C ATOM 640 C ASP A 42 6.030 0.052 -9.571 1.00 0.00 C ATOM 641 O ASP A 42 5.705 1.197 -9.257 1.00 0.00 O ATOM 642 CB ASP A 42 8.463 -0.535 -9.586 1.00 0.00 C ATOM 643 CG ASP A 42 9.700 -0.877 -8.766 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.582 -0.994 -7.570 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.714 -1.172 -9.354 1.00 0.00 O ATOM 0 H ASP A 42 7.418 -2.731 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 42 7.251 -0.215 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.433 -1.182 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.554 0.489 -9.948 1.00 0.00 H new ATOM 650 N GLU A 43 5.450 -0.620 -10.560 1.00 0.00 N ATOM 651 CA GLU A 43 4.416 -0.017 -11.392 1.00 0.00 C ATOM 652 C GLU A 43 3.146 0.242 -10.591 1.00 0.00 C ATOM 653 O GLU A 43 2.595 1.343 -10.622 1.00 0.00 O ATOM 654 CB GLU A 43 4.105 -0.912 -12.593 1.00 0.00 C ATOM 655 CG GLU A 43 5.193 -0.936 -13.657 1.00 0.00 C ATOM 656 CD GLU A 43 4.889 -1.949 -14.726 1.00 0.00 C ATOM 657 OE1 GLU A 43 3.912 -2.648 -14.596 1.00 0.00 O ATOM 658 OE2 GLU A 43 5.566 -1.948 -15.727 1.00 0.00 O ATOM 0 H GLU A 43 5.679 -1.583 -10.805 1.00 0.00 H new ATOM 0 HA GLU A 43 4.794 0.940 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.937 -1.929 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.174 -0.576 -13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.287 0.053 -14.106 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.152 -1.169 -13.194 1.00 0.00 H new ATOM 665 N ILE A 44 2.687 -0.777 -9.873 1.00 0.00 N ATOM 666 CA ILE A 44 1.464 -0.669 -9.084 1.00 0.00 C ATOM 667 C ILE A 44 1.636 0.316 -7.935 1.00 0.00 C ATOM 668 O ILE A 44 0.727 1.085 -7.622 1.00 0.00 O ATOM 669 CB ILE A 44 1.036 -2.035 -8.518 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.582 -2.963 -9.647 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.072 -1.860 -7.490 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.396 -4.400 -9.219 1.00 0.00 C ATOM 0 H ILE A 44 3.143 -1.688 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 44 0.687 -0.305 -9.756 1.00 0.00 H new ATOM 0 HB ILE A 44 1.894 -2.490 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.358 -2.591 -10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.316 -2.926 -10.452 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.363 -2.835 -7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.286 -1.234 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.933 -1.386 -7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.074 -4.995 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.340 -4.792 -8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.360 -4.451 -8.435 1.00 0.00 H new ATOM 684 N PHE A 45 2.808 0.289 -7.309 1.00 0.00 N ATOM 685 CA PHE A 45 3.156 1.275 -6.292 1.00 0.00 C ATOM 686 C PHE A 45 3.058 2.692 -6.842 1.00 0.00 C ATOM 687 O PHE A 45 2.474 3.573 -6.212 1.00 0.00 O ATOM 688 CB PHE A 45 4.565 1.014 -5.756 1.00 0.00 C ATOM 689 CG PHE A 45 4.955 1.909 -4.616 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.659 1.558 -3.307 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.616 3.106 -4.847 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.017 2.381 -2.256 1.00 0.00 C ATOM 693 CE2 PHE A 45 5.977 3.931 -3.799 1.00 0.00 C ATOM 694 CZ PHE A 45 5.676 3.567 -2.502 1.00 0.00 C ATOM 0 H PHE A 45 3.533 -0.405 -7.488 1.00 0.00 H new ATOM 0 HA PHE A 45 2.442 1.178 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.633 -0.024 -5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.282 1.141 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.143 0.631 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.852 3.397 -5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.781 2.095 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.494 4.859 -3.994 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.956 4.210 -1.681 1.00 0.00 H new ATOM 704 N GLY A 46 3.632 2.904 -8.021 1.00 0.00 N ATOM 705 CA GLY A 46 3.612 4.216 -8.658 1.00 0.00 C ATOM 706 C GLY A 46 2.205 4.591 -9.103 1.00 0.00 C ATOM 707 O GLY A 46 1.851 5.769 -9.152 1.00 0.00 O ATOM 0 H GLY A 46 4.117 2.184 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.988 4.966 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.280 4.215 -9.519 1.00 0.00 H new ATOM 711 N ASP A 47 1.404 3.581 -9.429 1.00 0.00 N ATOM 712 CA ASP A 47 0.022 3.801 -9.837 1.00 0.00 C ATOM 713 C ASP A 47 -0.829 4.278 -8.667 1.00 0.00 C ATOM 714 O ASP A 47 -1.700 5.134 -8.829 1.00 0.00 O ATOM 715 CB ASP A 47 -0.572 2.521 -10.430 1.00 0.00 C ATOM 716 CG ASP A 47 -0.073 2.185 -11.829 1.00 0.00 C ATOM 717 OD1 ASP A 47 0.533 3.032 -12.442 1.00 0.00 O ATOM 718 OD2 ASP A 47 -0.160 1.042 -12.210 1.00 0.00 O ATOM 0 H ASP A 47 1.689 2.602 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 47 0.020 4.580 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.343 1.687 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.657 2.618 -10.458 1.00 0.00 H new ATOM 723 N SER A 48 -0.572 3.723 -7.488 1.00 0.00 N ATOM 724 CA SER A 48 -1.267 4.138 -6.277 1.00 0.00 C ATOM 725 C SER A 48 -0.710 5.453 -5.746 1.00 0.00 C ATOM 726 O SER A 48 -1.371 6.153 -4.978 1.00 0.00 O ATOM 727 CB SER A 48 -1.164 3.057 -5.219 1.00 0.00 C ATOM 728 OG SER A 48 0.155 2.867 -4.786 1.00 0.00 O ATOM 0 H SER A 48 0.115 2.982 -7.346 1.00 0.00 H new ATOM 0 HA SER A 48 -2.317 4.293 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.790 3.323 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.552 2.120 -5.619 1.00 0.00 H new ATOM 0 HG SER A 48 0.774 3.227 -5.455 1.00 0.00 H new ATOM 734 N ASP A 49 0.508 5.784 -6.160 1.00 0.00 N ATOM 735 CA ASP A 49 1.106 7.071 -5.828 1.00 0.00 C ATOM 736 C ASP A 49 0.559 8.180 -6.718 1.00 0.00 C ATOM 737 O ASP A 49 1.237 8.645 -7.634 1.00 0.00 O ATOM 738 CB ASP A 49 2.631 7.003 -5.953 1.00 0.00 C ATOM 739 CG ASP A 49 3.357 8.259 -5.491 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.711 9.139 -4.974 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.564 8.265 -5.515 1.00 0.00 O ATOM 0 H ASP A 49 1.101 5.178 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 49 0.844 7.302 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.993 6.154 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.890 6.811 -6.994 1.00 0.00 H new ATOM 746 N THR A 50 -0.672 8.598 -6.444 1.00 0.00 N ATOM 747 CA THR A 50 -1.353 9.578 -7.282 1.00 0.00 C ATOM 748 C THR A 50 -0.596 10.899 -7.309 1.00 0.00 C ATOM 749 O THR A 50 -0.476 11.535 -8.356 1.00 0.00 O ATOM 750 CB THR A 50 -2.792 9.832 -6.797 1.00 0.00 C ATOM 751 OG1 THR A 50 -3.549 8.619 -6.882 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.460 10.903 -7.649 1.00 0.00 C ATOM 0 H THR A 50 -1.219 8.273 -5.647 1.00 0.00 H new ATOM 0 HA THR A 50 -1.387 9.162 -8.289 1.00 0.00 H new ATOM 0 HB THR A 50 -2.756 10.174 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.464 8.782 -6.571 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.476 11.070 -7.292 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.893 11.831 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.489 10.575 -8.688 1.00 0.00 H new ATOM 760 N ASP A 51 -0.087 11.308 -6.151 1.00 0.00 N ATOM 761 CA ASP A 51 0.627 12.574 -6.033 1.00 0.00 C ATOM 762 C ASP A 51 2.029 12.473 -6.619 1.00 0.00 C ATOM 763 O ASP A 51 2.706 13.482 -6.812 1.00 0.00 O ATOM 764 CB ASP A 51 0.699 13.014 -4.568 1.00 0.00 C ATOM 765 CG ASP A 51 -0.622 13.505 -3.993 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.524 13.753 -4.757 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.772 13.479 -2.795 1.00 0.00 O ATOM 0 H ASP A 51 -0.156 10.781 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 51 0.074 13.322 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.054 12.177 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.439 13.809 -4.476 1.00 0.00 H new ATOM 772 N LYS A 52 2.461 11.247 -6.899 1.00 0.00 N ATOM 773 CA LYS A 52 3.799 11.009 -7.426 1.00 0.00 C ATOM 774 C LYS A 52 4.864 11.611 -6.519 1.00 0.00 C ATOM 775 O LYS A 52 5.798 12.261 -6.988 1.00 0.00 O ATOM 776 CB LYS A 52 3.928 11.581 -8.839 1.00 0.00 C ATOM 777 CG LYS A 52 2.923 11.023 -9.838 1.00 0.00 C ATOM 778 CD LYS A 52 3.186 9.551 -10.123 1.00 0.00 C ATOM 779 CE LYS A 52 2.185 8.993 -11.125 1.00 0.00 C ATOM 780 NZ LYS A 52 2.375 7.534 -11.348 1.00 0.00 N ATOM 0 H LYS A 52 1.903 10.403 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 52 3.954 9.931 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.812 12.664 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.935 11.384 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.913 11.145 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.977 11.591 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.198 9.429 -10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.129 8.983 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.172 9.176 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.288 9.521 -12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.755 7.217 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.367 7.348 -11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.136 7.016 -10.478 1.00 0.00 H new ATOM 794 N ASN A 53 4.720 11.388 -5.218 1.00 0.00 N ATOM 795 CA ASN A 53 5.628 11.967 -4.235 1.00 0.00 C ATOM 796 C ASN A 53 6.649 10.942 -3.758 1.00 0.00 C ATOM 797 O ASN A 53 7.471 11.229 -2.888 1.00 0.00 O ATOM 798 CB ASN A 53 4.873 12.545 -3.053 1.00 0.00 C ATOM 799 CG ASN A 53 4.160 11.512 -2.225 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.170 10.318 -2.545 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.477 11.976 -1.211 1.00 0.00 N ATOM 0 H ASN A 53 3.981 10.809 -4.819 1.00 0.00 H new ATOM 0 HA ASN A 53 6.160 12.780 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.573 13.087 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.146 13.270 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.917 11.342 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.504 12.972 -0.991 1.00 0.00 H new ATOM 808 N GLY A 54 6.590 9.745 -4.332 1.00 0.00 N ATOM 809 CA GLY A 54 7.570 8.706 -4.038 1.00 0.00 C ATOM 810 C GLY A 54 7.035 7.719 -3.007 1.00 0.00 C ATOM 811 O GLY A 54 7.656 6.692 -2.736 1.00 0.00 O ATOM 0 H GLY A 54 5.873 9.470 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.827 8.175 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.487 9.162 -3.666 1.00 0.00 H new ATOM 815 N ARG A 55 5.879 8.039 -2.435 1.00 0.00 N ATOM 816 CA ARG A 55 5.293 7.218 -1.382 1.00 0.00 C ATOM 817 C ARG A 55 3.787 7.084 -1.562 1.00 0.00 C ATOM 818 O ARG A 55 3.184 7.785 -2.375 1.00 0.00 O ATOM 819 CB ARG A 55 5.645 7.730 0.007 1.00 0.00 C ATOM 820 CG ARG A 55 7.132 7.752 0.322 1.00 0.00 C ATOM 821 CD ARG A 55 7.749 6.409 0.463 1.00 0.00 C ATOM 822 NE ARG A 55 9.126 6.423 0.931 1.00 0.00 N ATOM 823 CZ ARG A 55 10.204 6.556 0.132 1.00 0.00 C ATOM 824 NH1 ARG A 55 10.073 6.646 -1.172 1.00 0.00 N ATOM 825 NH2 ARG A 55 11.399 6.567 0.695 1.00 0.00 N ATOM 0 H ARG A 55 5.329 8.862 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 55 5.729 6.223 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.250 8.740 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.141 7.108 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.650 8.295 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.287 8.309 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.149 5.819 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.712 5.903 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 55 9.287 6.325 1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.145 6.616 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.899 6.746 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.487 6.476 1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.234 6.666 0.118 1.00 0.00 H new ATOM 839 N ILE A 56 3.182 6.181 -0.797 1.00 0.00 N ATOM 840 CA ILE A 56 1.731 6.045 -0.774 1.00 0.00 C ATOM 841 C ILE A 56 1.131 6.756 0.433 1.00 0.00 C ATOM 842 O ILE A 56 1.412 6.400 1.578 1.00 0.00 O ATOM 843 CB ILE A 56 1.302 4.567 -0.752 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.762 3.859 -2.029 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.206 4.452 -0.589 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.563 2.361 -2.003 1.00 0.00 C ATOM 0 H ILE A 56 3.675 5.532 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 56 1.358 6.508 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 56 1.776 4.081 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.219 4.273 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.818 4.073 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.491 3.400 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.508 4.922 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.701 4.952 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.912 1.931 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.129 1.933 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.504 2.137 -1.873 1.00 0.00 H new ATOM 858 N ASP A 57 0.305 7.762 0.170 1.00 0.00 N ATOM 859 CA ASP A 57 -0.317 8.541 1.234 1.00 0.00 C ATOM 860 C ASP A 57 -1.466 7.777 1.878 1.00 0.00 C ATOM 861 O ASP A 57 -1.857 6.710 1.405 1.00 0.00 O ATOM 862 CB ASP A 57 -0.816 9.885 0.693 1.00 0.00 C ATOM 863 CG ASP A 57 -0.873 10.998 1.731 1.00 0.00 C ATOM 864 OD1 ASP A 57 -0.620 10.725 2.880 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.014 12.133 1.346 1.00 0.00 O ATOM 0 H ASP A 57 0.050 8.058 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 57 0.439 8.725 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.165 10.199 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.812 9.746 0.271 1.00 0.00 H new ATOM 870 N PHE A 58 -2.004 8.329 2.961 1.00 0.00 N ATOM 871 CA PHE A 58 -3.123 7.710 3.661 1.00 0.00 C ATOM 872 C PHE A 58 -4.322 7.537 2.738 1.00 0.00 C ATOM 873 O PHE A 58 -4.852 6.435 2.593 1.00 0.00 O ATOM 874 CB PHE A 58 -3.515 8.542 4.882 1.00 0.00 C ATOM 875 CG PHE A 58 -4.714 8.013 5.617 1.00 0.00 C ATOM 876 CD1 PHE A 58 -4.605 6.904 6.443 1.00 0.00 C ATOM 877 CD2 PHE A 58 -5.953 8.622 5.484 1.00 0.00 C ATOM 878 CE1 PHE A 58 -5.708 6.416 7.119 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.056 8.137 6.159 1.00 0.00 C ATOM 880 CZ PHE A 58 -6.932 7.032 6.978 1.00 0.00 C ATOM 0 H PHE A 58 -1.682 9.205 3.373 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.804 6.722 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.669 8.584 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.718 9.564 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.648 6.416 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.057 9.486 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.610 5.551 7.758 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.015 8.621 6.046 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.793 6.651 7.507 1.00 0.00 H new ATOM 890 N ASP A 59 -4.746 8.631 2.115 1.00 0.00 N ATOM 891 CA ASP A 59 -5.888 8.603 1.209 1.00 0.00 C ATOM 892 C ASP A 59 -5.611 7.719 0.000 1.00 0.00 C ATOM 893 O ASP A 59 -6.505 7.038 -0.502 1.00 0.00 O ATOM 894 CB ASP A 59 -6.246 10.020 0.753 1.00 0.00 C ATOM 895 CG ASP A 59 -6.924 10.871 1.818 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.336 10.325 2.814 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.884 12.072 1.704 1.00 0.00 O ATOM 0 H ASP A 59 -4.315 9.549 2.221 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.734 8.182 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.336 10.524 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.903 9.954 -0.115 1.00 0.00 H new ATOM 902 N GLU A 60 -4.366 7.734 -0.465 1.00 0.00 N ATOM 903 CA GLU A 60 -3.956 6.899 -1.587 1.00 0.00 C ATOM 904 C GLU A 60 -3.986 5.422 -1.214 1.00 0.00 C ATOM 905 O GLU A 60 -4.323 4.571 -2.037 1.00 0.00 O ATOM 906 CB GLU A 60 -2.556 7.292 -2.065 1.00 0.00 C ATOM 907 CG GLU A 60 -2.483 8.652 -2.745 1.00 0.00 C ATOM 908 CD GLU A 60 -1.060 9.051 -3.016 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.175 8.316 -2.646 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.857 10.031 -3.693 1.00 0.00 O ATOM 0 H GLU A 60 -3.622 8.317 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.665 7.060 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.879 7.290 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.196 6.533 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.040 8.623 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.960 9.402 -2.114 1.00 0.00 H new ATOM 917 N PHE A 61 -3.631 5.124 0.031 1.00 0.00 N ATOM 918 CA PHE A 61 -3.732 3.767 0.553 1.00 0.00 C ATOM 919 C PHE A 61 -5.181 3.296 0.585 1.00 0.00 C ATOM 920 O PHE A 61 -5.485 2.167 0.199 1.00 0.00 O ATOM 921 CB PHE A 61 -3.120 3.685 1.953 1.00 0.00 C ATOM 922 CG PHE A 61 -3.287 2.344 2.609 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.398 1.313 2.348 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.333 2.112 3.490 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.551 0.079 2.951 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.487 0.881 4.096 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.594 -0.138 3.825 1.00 0.00 C ATOM 0 H PHE A 61 -3.270 5.806 0.698 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.175 3.110 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.057 3.918 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.576 4.447 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.577 1.476 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.035 2.904 3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.852 -0.716 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.305 0.715 4.781 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.713 -1.102 4.297 1.00 0.00 H new ATOM 937 N LEU A 62 -6.070 4.166 1.049 1.00 0.00 N ATOM 938 CA LEU A 62 -7.490 3.845 1.121 1.00 0.00 C ATOM 939 C LEU A 62 -8.049 3.505 -0.255 1.00 0.00 C ATOM 940 O LEU A 62 -8.798 2.541 -0.411 1.00 0.00 O ATOM 941 CB LEU A 62 -8.268 5.014 1.739 1.00 0.00 C ATOM 942 CG LEU A 62 -8.517 4.908 3.249 1.00 0.00 C ATOM 943 CD1 LEU A 62 -7.263 4.403 3.950 1.00 0.00 C ATOM 944 CD2 LEU A 62 -8.929 6.267 3.793 1.00 0.00 C ATOM 0 H LEU A 62 -5.832 5.100 1.381 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.606 2.967 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.723 5.937 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.230 5.097 1.233 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.322 4.197 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.449 4.331 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.999 3.420 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.441 5.096 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.106 6.191 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.135 6.990 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.842 6.596 3.297 1.00 0.00 H new ATOM 956 N LYS A 63 -7.679 4.303 -1.252 1.00 0.00 N ATOM 957 CA LYS A 63 -8.127 4.077 -2.620 1.00 0.00 C ATOM 958 C LYS A 63 -7.507 2.812 -3.201 1.00 0.00 C ATOM 959 O LYS A 63 -8.176 2.040 -3.886 1.00 0.00 O ATOM 960 CB LYS A 63 -7.788 5.281 -3.500 1.00 0.00 C ATOM 961 CG LYS A 63 -8.594 6.536 -3.188 1.00 0.00 C ATOM 962 CD LYS A 63 -8.184 7.695 -4.084 1.00 0.00 C ATOM 963 CE LYS A 63 -8.948 8.963 -3.734 1.00 0.00 C ATOM 964 NZ LYS A 63 -8.535 10.113 -4.583 1.00 0.00 N ATOM 0 H LYS A 63 -7.069 5.113 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.209 3.947 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.728 5.508 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.950 5.010 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.656 6.330 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.450 6.813 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.113 7.874 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.367 7.434 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.017 8.788 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.782 9.209 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.079 10.957 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.520 10.297 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.717 9.890 -5.582 1.00 0.00 H new ATOM 978 N MET A 64 -6.224 2.608 -2.924 1.00 0.00 N ATOM 979 CA MET A 64 -5.504 1.447 -3.435 1.00 0.00 C ATOM 980 C MET A 64 -6.109 0.150 -2.912 1.00 0.00 C ATOM 981 O MET A 64 -6.351 -0.784 -3.675 1.00 0.00 O ATOM 982 CB MET A 64 -4.027 1.533 -3.058 1.00 0.00 C ATOM 983 CG MET A 64 -3.200 0.324 -3.472 1.00 0.00 C ATOM 984 SD MET A 64 -1.485 0.435 -2.925 1.00 0.00 S ATOM 985 CE MET A 64 -1.682 0.275 -1.153 1.00 0.00 C ATOM 0 H MET A 64 -5.660 3.233 -2.347 1.00 0.00 H new ATOM 0 HA MET A 64 -5.593 1.446 -4.521 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.599 2.425 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.947 1.660 -1.978 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.651 -0.578 -3.059 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.225 0.226 -4.557 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.706 0.129 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.140 1.180 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.320 -0.581 -0.934 1.00 0.00 H new ATOM 995 N MET A 65 -6.348 0.100 -1.606 1.00 0.00 N ATOM 996 CA MET A 65 -6.850 -1.110 -0.965 1.00 0.00 C ATOM 997 C MET A 65 -8.326 -1.324 -1.273 1.00 0.00 C ATOM 998 O MET A 65 -8.784 -2.459 -1.406 1.00 0.00 O ATOM 999 CB MET A 65 -6.630 -1.037 0.544 1.00 0.00 C ATOM 1000 CG MET A 65 -5.172 -1.116 0.973 1.00 0.00 C ATOM 1001 SD MET A 65 -4.368 -2.636 0.426 1.00 0.00 S ATOM 1002 CE MET A 65 -5.199 -3.846 1.451 1.00 0.00 C ATOM 0 H MET A 65 -6.202 0.884 -0.970 1.00 0.00 H new ATOM 0 HA MET A 65 -6.296 -1.959 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.055 -0.105 0.916 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.180 -1.850 1.018 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.632 -0.259 0.571 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.113 -1.049 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.633 -4.778 1.445 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.270 -3.471 2.472 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.200 -4.027 1.061 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.067 -0.227 -1.386 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.468 -0.287 -1.787 1.00 0.00 C ATOM 1014 C GLU A 66 -10.620 -0.919 -3.165 1.00 0.00 C ATOM 1015 O GLU A 66 -11.550 -1.689 -3.405 1.00 0.00 O ATOM 1016 CB GLU A 66 -11.087 1.113 -1.779 1.00 0.00 C ATOM 1017 CG GLU A 66 -12.567 1.147 -2.136 1.00 0.00 C ATOM 1018 CD GLU A 66 -13.117 2.543 -2.048 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -12.375 3.434 -1.709 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -14.248 2.739 -2.428 1.00 0.00 O ATOM 0 H GLU A 66 -8.721 0.715 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.995 -0.912 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.954 1.550 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.541 1.743 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.709 0.761 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.121 0.492 -1.463 1.00 0.00 H new ATOM 1027 N ASN A 67 -9.702 -0.589 -4.066 1.00 0.00 N ATOM 1028 CA ASN A 67 -9.700 -1.167 -5.405 1.00 0.00 C ATOM 1029 C ASN A 67 -8.577 -2.182 -5.565 1.00 0.00 C ATOM 1030 O ASN A 67 -8.024 -2.345 -6.654 1.00 0.00 O ATOM 1031 CB ASN A 67 -9.593 -0.093 -6.473 1.00 0.00 C ATOM 1032 CG ASN A 67 -10.774 0.837 -6.514 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -11.897 0.435 -6.839 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -10.510 2.096 -6.267 1.00 0.00 N ATOM 0 H ASN A 67 -8.949 0.077 -3.894 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.652 -1.682 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.688 0.490 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.484 -0.571 -7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.249 2.796 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.566 2.377 -6.002 1.00 0.00 H new ATOM 1041 N VAL A 68 -8.242 -2.864 -4.475 1.00 0.00 N ATOM 1042 CA VAL A 68 -7.159 -3.841 -4.484 1.00 0.00 C ATOM 1043 C VAL A 68 -7.457 -4.985 -5.445 1.00 0.00 C ATOM 1044 O VAL A 68 -8.593 -5.450 -5.539 1.00 0.00 O ATOM 1045 CB VAL A 68 -6.905 -4.416 -3.079 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -8.065 -5.302 -2.649 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -5.601 -5.198 -3.051 1.00 0.00 C ATOM 0 H VAL A 68 -8.706 -2.758 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.264 -3.315 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.825 -3.586 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.869 -5.700 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.984 -4.715 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.174 -6.126 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.438 -5.597 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.654 -6.020 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.775 -4.538 -3.318 1.00 0.00 H new ATOM 1057 N GLN A 69 -6.430 -5.435 -6.157 1.00 0.00 N ATOM 1058 CA GLN A 69 -6.582 -6.520 -7.119 1.00 0.00 C ATOM 1059 C GLN A 69 -7.077 -7.792 -6.441 1.00 0.00 C ATOM 1060 O GLN A 69 -8.242 -7.920 -6.186 1.00 0.00 O ATOM 1061 CB GLN A 69 -5.253 -6.797 -7.828 1.00 0.00 C ATOM 1062 CG GLN A 69 -4.749 -5.643 -8.678 1.00 0.00 C ATOM 1063 CD GLN A 69 -5.688 -5.313 -9.822 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -6.152 -6.205 -10.540 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -5.971 -4.029 -10.004 1.00 0.00 N ATOM 1066 OXT GLN A 69 -6.302 -8.665 -6.163 1.00 0.00 O ATOM 0 H GLN A 69 -5.482 -5.065 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.324 -6.209 -7.855 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.498 -7.039 -7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.368 -7.677 -8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.622 -4.761 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.767 -5.893 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.566 -3.325 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.594 -3.746 -10.761 1.00 0.00 H new TER 1075 GLN A 69