USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 53 HIS : no HD1:sc= -0.165 X(o=2.1,f=2.2) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 152:sc= 2.23 (180deg=1.37) USER MOD Set 2.1: A 71 HIS : no HD1:sc= -0.0484 K(o=-0.048,f=-0.92) USER MOD Set 2.2: B 13 SER OG : rot -120:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.398 K(o=-0.4,f=-5.4!) USER MOD Single : A 16 ASN : amide:sc= 0.221 K(o=0.22,f=-6.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -43:sc= 1.05 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.17) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -82:sc= 0.788 USER MOD Single : A 32 HIS : no HD1:sc= 1.83 K(o=1.8,f=-7.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0254) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00143) USER MOD Single : A 62 ASN : amide:sc= -0.274 K(o=-0.27,f=-2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 0.884 (180deg=-1.2!) USER MOD Single : A 73 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Single : A 77 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 80 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.17) USER MOD Single : A 81 THR OG1 : rot -93:sc= 1.32 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.276 6.927 -11.078 1.00 0.00 N ATOM 54 CA GLY A 4 -11.193 6.379 -10.322 1.00 0.00 C ATOM 55 C GLY A 4 -10.134 5.858 -11.231 1.00 0.00 C ATOM 56 O GLY A 4 -9.980 4.648 -11.391 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.775 7.144 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.558 5.576 -9.682 1.00 0.00 H new ATOM 60 N ASP A 5 -9.370 6.747 -11.892 1.00 0.00 N ATOM 61 CA ASP A 5 -8.363 6.379 -12.838 1.00 0.00 C ATOM 62 C ASP A 5 -7.068 5.985 -12.213 1.00 0.00 C ATOM 63 O ASP A 5 -6.772 6.290 -11.058 1.00 0.00 O ATOM 64 CB ASP A 5 -8.216 7.436 -13.944 1.00 0.00 C ATOM 65 CG ASP A 5 -7.779 8.809 -13.454 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.461 9.395 -12.573 1.00 0.00 O ATOM 67 OD2 ASP A 5 -6.762 9.343 -13.975 1.00 0.00 O ATOM 0 H ASP A 5 -9.456 7.755 -11.763 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.711 5.467 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.492 7.079 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.170 7.536 -14.462 1.00 0.00 H new ATOM 72 N ILE A 6 -6.248 5.241 -12.977 1.00 0.00 N ATOM 73 CA ILE A 6 -5.014 4.659 -12.550 1.00 0.00 C ATOM 74 C ILE A 6 -3.933 5.683 -12.612 1.00 0.00 C ATOM 75 O ILE A 6 -3.826 6.443 -13.572 1.00 0.00 O ATOM 76 CB ILE A 6 -4.672 3.434 -13.345 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.528 2.220 -12.942 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.195 3.034 -13.197 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.979 2.225 -13.418 1.00 0.00 C ATOM 0 H ILE A 6 -6.461 5.034 -13.953 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.121 4.330 -11.517 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.878 3.705 -14.381 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.046 1.320 -13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.525 2.146 -11.855 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.998 2.142 -13.792 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.561 3.849 -13.545 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.977 2.827 -12.149 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.478 1.320 -13.072 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.491 3.099 -13.015 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.005 2.260 -14.507 1.00 0.00 H new ATOM 91 N PHE A 7 -3.087 5.755 -11.568 1.00 0.00 N ATOM 92 CA PHE A 7 -2.055 6.734 -11.431 1.00 0.00 C ATOM 93 C PHE A 7 -0.802 6.123 -10.906 1.00 0.00 C ATOM 94 O PHE A 7 -0.813 5.113 -10.204 1.00 0.00 O ATOM 95 CB PHE A 7 -2.527 7.966 -10.641 1.00 0.00 C ATOM 96 CG PHE A 7 -2.832 7.782 -9.194 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.855 6.974 -8.756 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.121 8.504 -8.265 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.137 6.857 -7.416 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.408 8.411 -6.924 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.411 7.575 -6.495 1.00 0.00 C ATOM 0 H PHE A 7 -3.125 5.102 -10.786 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.813 7.113 -12.424 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.759 8.735 -10.727 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.423 8.354 -11.127 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.445 6.424 -9.475 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.324 9.155 -8.594 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.929 6.201 -7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.846 8.994 -6.209 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.628 7.483 -5.441 1.00 0.00 H new ATOM 111 N GLU A 8 0.358 6.696 -11.277 1.00 0.00 N ATOM 112 CA GLU A 8 1.648 6.179 -10.941 1.00 0.00 C ATOM 113 C GLU A 8 2.385 7.175 -10.114 1.00 0.00 C ATOM 114 O GLU A 8 2.705 8.278 -10.554 1.00 0.00 O ATOM 115 CB GLU A 8 2.419 5.739 -12.197 1.00 0.00 C ATOM 116 CG GLU A 8 2.517 6.739 -13.351 1.00 0.00 C ATOM 117 CD GLU A 8 3.169 6.112 -14.576 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.340 5.655 -14.500 1.00 0.00 O ATOM 119 OE2 GLU A 8 2.504 6.046 -15.644 1.00 0.00 O ATOM 0 H GLU A 8 0.398 7.551 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 8 1.534 5.277 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.432 5.474 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.952 4.831 -12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.520 7.096 -13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.095 7.607 -13.034 1.00 0.00 H new ATOM 126 N VAL A 9 2.647 6.839 -8.838 1.00 0.00 N ATOM 127 CA VAL A 9 3.217 7.737 -7.882 1.00 0.00 C ATOM 128 C VAL A 9 4.668 7.487 -7.657 1.00 0.00 C ATOM 129 O VAL A 9 5.140 6.351 -7.685 1.00 0.00 O ATOM 130 CB VAL A 9 2.509 7.734 -6.559 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.029 8.080 -6.790 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.659 6.380 -5.846 1.00 0.00 C ATOM 0 H VAL A 9 2.456 5.911 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 9 3.089 8.722 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 9 2.960 8.483 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.502 8.081 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.953 9.066 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.581 7.338 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.135 6.412 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.233 5.592 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.715 6.175 -5.673 1.00 0.00 H new ATOM 142 N GLU A 10 5.416 8.572 -7.385 1.00 0.00 N ATOM 143 CA GLU A 10 6.788 8.519 -6.984 1.00 0.00 C ATOM 144 C GLU A 10 6.916 9.166 -5.648 1.00 0.00 C ATOM 145 O GLU A 10 6.394 10.258 -5.425 1.00 0.00 O ATOM 146 CB GLU A 10 7.759 9.215 -7.952 1.00 0.00 C ATOM 147 CG GLU A 10 7.249 9.519 -9.362 1.00 0.00 C ATOM 148 CD GLU A 10 6.314 10.718 -9.435 1.00 0.00 C ATOM 149 OE1 GLU A 10 6.489 11.701 -8.666 1.00 0.00 O ATOM 150 OE2 GLU A 10 5.361 10.695 -10.258 1.00 0.00 O ATOM 0 H GLU A 10 5.051 9.522 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 10 7.064 7.465 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.073 10.155 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.649 8.592 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.103 9.696 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.729 8.642 -9.747 1.00 0.00 H new ATOM 157 N LEU A 11 7.647 8.537 -4.711 1.00 0.00 N ATOM 158 CA LEU A 11 8.160 9.194 -3.549 1.00 0.00 C ATOM 159 C LEU A 11 9.606 8.850 -3.434 1.00 0.00 C ATOM 160 O LEU A 11 10.052 7.771 -3.820 1.00 0.00 O ATOM 161 CB LEU A 11 7.427 8.807 -2.253 1.00 0.00 C ATOM 162 CG LEU A 11 6.068 9.498 -2.057 1.00 0.00 C ATOM 163 CD1 LEU A 11 5.310 8.857 -0.882 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.221 11.009 -1.815 1.00 0.00 C ATOM 0 H LEU A 11 7.888 7.547 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 11 8.007 10.266 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.276 7.728 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.067 9.046 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 11 5.499 9.363 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.349 9.355 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.145 7.800 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.898 8.961 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.237 11.458 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.820 11.175 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.715 11.467 -2.672 1.00 0.00 H new ATOM 176 N ALA A 12 10.416 9.780 -2.897 1.00 0.00 N ATOM 177 CA ALA A 12 11.810 9.582 -2.651 1.00 0.00 C ATOM 178 C ALA A 12 12.067 10.043 -1.258 1.00 0.00 C ATOM 179 O ALA A 12 11.558 11.085 -0.850 1.00 0.00 O ATOM 180 CB ALA A 12 12.668 10.371 -3.654 1.00 0.00 C ATOM 0 H ALA A 12 10.087 10.706 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 12 12.077 8.532 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.724 10.201 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.443 10.037 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.447 11.435 -3.565 1.00 0.00 H new ATOM 186 N LYS A 13 12.833 9.267 -0.469 1.00 0.00 N ATOM 187 CA LYS A 13 12.921 9.444 0.947 1.00 0.00 C ATOM 188 C LYS A 13 13.574 10.708 1.390 1.00 0.00 C ATOM 189 O LYS A 13 14.736 10.963 1.079 1.00 0.00 O ATOM 190 CB LYS A 13 13.647 8.238 1.566 1.00 0.00 C ATOM 191 CG LYS A 13 13.605 8.143 3.093 1.00 0.00 C ATOM 192 CD LYS A 13 14.172 6.806 3.574 1.00 0.00 C ATOM 193 CE LYS A 13 13.808 6.415 5.008 1.00 0.00 C ATOM 194 NZ LYS A 13 14.558 7.213 6.003 1.00 0.00 N ATOM 0 H LYS A 13 13.404 8.500 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 13 11.892 9.516 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.214 7.327 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.690 8.266 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.177 8.962 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.577 8.252 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.825 6.021 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.258 6.840 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.738 6.555 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.016 5.356 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.284 6.919 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.578 7.060 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.340 8.222 5.875 1.00 0.00 H new ATOM 208 N ASN A 14 12.854 11.579 2.119 1.00 0.00 N ATOM 209 CA ASN A 14 13.370 12.796 2.666 1.00 0.00 C ATOM 210 C ASN A 14 13.278 12.813 4.154 1.00 0.00 C ATOM 211 O ASN A 14 14.232 12.480 4.852 1.00 0.00 O ATOM 212 CB ASN A 14 12.773 14.036 1.978 1.00 0.00 C ATOM 213 CG ASN A 14 11.253 14.130 1.949 1.00 0.00 C ATOM 214 OD1 ASN A 14 10.518 13.285 2.457 1.00 0.00 O ATOM 215 ND2 ASN A 14 10.745 15.248 1.367 1.00 0.00 N ATOM 0 H ASN A 14 11.869 11.429 2.337 1.00 0.00 H new ATOM 0 HA ASN A 14 14.436 12.840 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.160 14.924 2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.136 14.065 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.736 15.399 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.372 15.937 0.951 1.00 0.00 H new ATOM 222 N ASP A 15 12.117 13.195 4.716 1.00 0.00 N ATOM 223 CA ASP A 15 11.797 13.179 6.109 1.00 0.00 C ATOM 224 C ASP A 15 11.483 11.788 6.541 1.00 0.00 C ATOM 225 O ASP A 15 11.896 11.316 7.599 1.00 0.00 O ATOM 226 CB ASP A 15 10.542 14.043 6.327 1.00 0.00 C ATOM 227 CG ASP A 15 10.841 15.517 6.098 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.622 16.096 6.899 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.244 16.123 5.169 1.00 0.00 O ATOM 0 H ASP A 15 11.343 13.542 4.150 1.00 0.00 H new ATOM 0 HA ASP A 15 12.643 13.560 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.753 13.720 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.170 13.898 7.341 1.00 0.00 H new ATOM 234 N ASN A 16 10.721 11.076 5.692 1.00 0.00 N ATOM 235 CA ASN A 16 10.454 9.675 5.799 1.00 0.00 C ATOM 236 C ASN A 16 10.100 9.210 4.428 1.00 0.00 C ATOM 237 O ASN A 16 10.236 9.967 3.468 1.00 0.00 O ATOM 238 CB ASN A 16 9.422 9.345 6.889 1.00 0.00 C ATOM 239 CG ASN A 16 8.031 9.890 6.593 1.00 0.00 C ATOM 240 OD1 ASN A 16 7.778 11.091 6.518 1.00 0.00 O ATOM 241 ND2 ASN A 16 7.071 8.947 6.396 1.00 0.00 N ATOM 0 H ASN A 16 10.266 11.503 4.885 1.00 0.00 H new ATOM 0 HA ASN A 16 11.330 9.126 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.362 8.263 7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.768 9.750 7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.115 9.230 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.307 7.957 6.464 1.00 0.00 H new ATOM 248 N SER A 17 9.643 7.956 4.266 1.00 0.00 N ATOM 249 CA SER A 17 9.268 7.443 2.984 1.00 0.00 C ATOM 250 C SER A 17 7.812 7.651 2.750 1.00 0.00 C ATOM 251 O SER A 17 7.441 8.530 1.975 1.00 0.00 O ATOM 252 CB SER A 17 9.662 5.974 2.752 1.00 0.00 C ATOM 253 OG SER A 17 11.076 5.847 2.711 1.00 0.00 O ATOM 0 H SER A 17 9.532 7.291 5.031 1.00 0.00 H new ATOM 0 HA SER A 17 9.840 8.012 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.256 5.351 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.230 5.617 1.817 1.00 0.00 H new ATOM 0 HG SER A 17 11.316 4.908 2.565 1.00 0.00 H new ATOM 259 N LEU A 18 6.930 6.877 3.408 1.00 0.00 N ATOM 260 CA LEU A 18 5.512 6.988 3.255 1.00 0.00 C ATOM 261 C LEU A 18 4.888 7.717 4.394 1.00 0.00 C ATOM 262 O LEU A 18 4.762 8.941 4.381 1.00 0.00 O ATOM 263 CB LEU A 18 4.843 5.621 3.038 1.00 0.00 C ATOM 264 CG LEU A 18 5.154 4.951 1.688 1.00 0.00 C ATOM 265 CD1 LEU A 18 6.426 4.085 1.709 1.00 0.00 C ATOM 266 CD2 LEU A 18 3.980 4.064 1.237 1.00 0.00 C ATOM 0 H LEU A 18 7.212 6.151 4.067 1.00 0.00 H new ATOM 0 HA LEU A 18 5.343 7.577 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.153 4.950 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.763 5.744 3.125 1.00 0.00 H new ATOM 0 HG LEU A 18 5.316 5.772 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.583 3.645 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.284 4.705 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.314 3.291 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.221 3.600 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.803 3.288 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.084 4.674 1.128 1.00 0.00 H new ATOM 278 N GLY A 19 4.457 7.008 5.452 1.00 0.00 N ATOM 279 CA GLY A 19 3.720 7.556 6.549 1.00 0.00 C ATOM 280 C GLY A 19 2.261 7.289 6.413 1.00 0.00 C ATOM 281 O GLY A 19 1.431 8.194 6.483 1.00 0.00 O ATOM 0 H GLY A 19 4.630 6.007 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.084 7.128 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.891 8.631 6.603 1.00 0.00 H new ATOM 285 N ILE A 20 1.887 6.015 6.201 1.00 0.00 N ATOM 286 CA ILE A 20 0.550 5.679 5.820 1.00 0.00 C ATOM 287 C ILE A 20 0.131 4.372 6.401 1.00 0.00 C ATOM 288 O ILE A 20 0.946 3.530 6.773 1.00 0.00 O ATOM 289 CB ILE A 20 0.414 5.718 4.327 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.029 5.935 3.842 1.00 0.00 C ATOM 291 CG2 ILE A 20 1.060 4.478 3.687 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.116 6.338 2.370 1.00 0.00 C ATOM 0 H ILE A 20 2.513 5.215 6.294 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.131 6.424 6.231 1.00 0.00 H new ATOM 0 HB ILE A 20 0.959 6.600 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.599 5.018 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.498 6.707 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.949 4.528 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.119 4.447 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.570 3.579 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.161 6.475 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.574 7.271 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.676 5.556 1.752 1.00 0.00 H new ATOM 304 N SER A 21 -1.189 4.142 6.517 1.00 0.00 N ATOM 305 CA SER A 21 -1.754 2.966 7.102 1.00 0.00 C ATOM 306 C SER A 21 -2.639 2.280 6.120 1.00 0.00 C ATOM 307 O SER A 21 -3.257 2.903 5.258 1.00 0.00 O ATOM 308 CB SER A 21 -2.496 3.281 8.412 1.00 0.00 C ATOM 309 OG SER A 21 -3.661 4.067 8.218 1.00 0.00 O ATOM 0 H SER A 21 -1.892 4.804 6.189 1.00 0.00 H new ATOM 0 HA SER A 21 -0.940 2.289 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.773 2.346 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.820 3.805 9.088 1.00 0.00 H new ATOM 0 HG SER A 21 -3.469 4.784 7.578 1.00 0.00 H new ATOM 315 N VAL A 22 -2.734 0.943 6.220 1.00 0.00 N ATOM 316 CA VAL A 22 -3.365 0.107 5.246 1.00 0.00 C ATOM 317 C VAL A 22 -4.421 -0.697 5.924 1.00 0.00 C ATOM 318 O VAL A 22 -4.480 -0.803 7.148 1.00 0.00 O ATOM 319 CB VAL A 22 -2.308 -0.714 4.570 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.724 -2.069 3.974 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.715 0.148 3.442 1.00 0.00 C ATOM 0 H VAL A 22 -2.356 0.423 7.012 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.864 0.680 4.465 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.610 -0.982 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.857 -2.548 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.119 -2.708 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.491 -1.913 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.939 -0.415 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.502 0.416 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.283 1.055 3.866 1.00 0.00 H new ATOM 331 N THR A 23 -5.350 -1.303 5.163 1.00 0.00 N ATOM 332 CA THR A 23 -6.214 -2.333 5.650 1.00 0.00 C ATOM 333 C THR A 23 -6.265 -3.360 4.571 1.00 0.00 C ATOM 334 O THR A 23 -6.055 -3.064 3.395 1.00 0.00 O ATOM 335 CB THR A 23 -7.562 -1.812 6.051 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.447 -2.804 6.551 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.276 -1.112 4.883 1.00 0.00 C ATOM 0 H THR A 23 -5.504 -1.070 4.182 1.00 0.00 H new ATOM 0 HA THR A 23 -5.833 -2.771 6.573 1.00 0.00 H new ATOM 0 HB THR A 23 -7.338 -1.110 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.301 -2.389 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.249 -0.749 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.673 -0.271 4.540 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.413 -1.818 4.064 1.00 0.00 H new ATOM 345 N GLY A 24 -6.497 -4.634 4.933 1.00 0.00 N ATOM 346 CA GLY A 24 -6.470 -5.737 4.022 1.00 0.00 C ATOM 347 C GLY A 24 -5.146 -6.418 3.992 1.00 0.00 C ATOM 348 O GLY A 24 -4.495 -6.578 5.024 1.00 0.00 O ATOM 0 H GLY A 24 -6.711 -4.906 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.239 -6.456 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.716 -5.384 3.021 1.00 0.00 H new ATOM 352 N GLY A 25 -4.721 -6.906 2.813 1.00 0.00 N ATOM 353 CA GLY A 25 -3.508 -7.638 2.624 1.00 0.00 C ATOM 354 C GLY A 25 -3.642 -9.102 2.872 1.00 0.00 C ATOM 355 O GLY A 25 -2.704 -9.878 2.698 1.00 0.00 O ATOM 0 H GLY A 25 -5.250 -6.784 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.156 -7.483 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.744 -7.235 3.289 1.00 0.00 H new ATOM 359 N VAL A 26 -4.833 -9.535 3.324 1.00 0.00 N ATOM 360 CA VAL A 26 -5.077 -10.844 3.844 1.00 0.00 C ATOM 361 C VAL A 26 -5.723 -11.669 2.784 1.00 0.00 C ATOM 362 O VAL A 26 -6.262 -11.147 1.809 1.00 0.00 O ATOM 363 CB VAL A 26 -5.875 -10.707 5.107 1.00 0.00 C ATOM 364 CG1 VAL A 26 -6.359 -12.026 5.732 1.00 0.00 C ATOM 365 CG2 VAL A 26 -4.992 -9.986 6.139 1.00 0.00 C ATOM 0 H VAL A 26 -5.664 -8.944 3.327 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.160 -11.368 4.113 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.778 -10.159 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.925 -11.813 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.997 -12.553 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.499 -12.649 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.544 -9.870 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.092 -10.573 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.714 -9.004 5.757 1.00 0.00 H new ATOM 375 N ASN A 27 -5.694 -13.005 2.932 1.00 0.00 N ATOM 376 CA ASN A 27 -5.918 -13.991 1.920 1.00 0.00 C ATOM 377 C ASN A 27 -7.319 -14.051 1.416 1.00 0.00 C ATOM 378 O ASN A 27 -7.588 -14.497 0.302 1.00 0.00 O ATOM 379 CB ASN A 27 -5.468 -15.357 2.464 1.00 0.00 C ATOM 380 CG ASN A 27 -6.202 -15.757 3.736 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.319 -16.271 3.693 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.593 -15.501 4.926 1.00 0.00 N ATOM 0 H ASN A 27 -5.497 -13.430 3.838 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.327 -13.703 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.631 -16.118 1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.396 -15.329 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.063 -15.736 5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.667 -15.074 4.943 1.00 0.00 H new ATOM 389 N THR A 28 -8.272 -13.510 2.196 1.00 0.00 N ATOM 390 CA THR A 28 -9.486 -12.968 1.673 1.00 0.00 C ATOM 391 C THR A 28 -9.596 -11.624 2.307 1.00 0.00 C ATOM 392 O THR A 28 -9.430 -11.472 3.517 1.00 0.00 O ATOM 393 CB THR A 28 -10.707 -13.813 1.883 1.00 0.00 C ATOM 394 OG1 THR A 28 -11.833 -13.255 1.219 1.00 0.00 O ATOM 395 CG2 THR A 28 -11.086 -14.000 3.362 1.00 0.00 C ATOM 0 H THR A 28 -8.197 -13.448 3.211 1.00 0.00 H new ATOM 0 HA THR A 28 -9.441 -12.920 0.585 1.00 0.00 H new ATOM 0 HB THR A 28 -10.445 -14.787 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.616 -13.824 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.978 -14.622 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.264 -14.483 3.890 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.285 -13.028 3.812 1.00 0.00 H new ATOM 403 N SER A 29 -9.774 -10.562 1.501 1.00 0.00 N ATOM 404 CA SER A 29 -9.995 -9.237 1.992 1.00 0.00 C ATOM 405 C SER A 29 -10.704 -8.439 0.953 1.00 0.00 C ATOM 406 O SER A 29 -11.907 -8.591 0.748 1.00 0.00 O ATOM 407 CB SER A 29 -8.735 -8.539 2.530 1.00 0.00 C ATOM 408 OG SER A 29 -7.639 -8.558 1.628 1.00 0.00 O ATOM 0 H SER A 29 -9.764 -10.626 0.483 1.00 0.00 H new ATOM 0 HA SER A 29 -10.631 -9.318 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.979 -7.504 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.435 -9.019 3.462 1.00 0.00 H new ATOM 0 HG SER A 29 -7.170 -9.415 1.701 1.00 0.00 H new ATOM 414 N VAL A 30 -9.991 -7.579 0.204 1.00 0.00 N ATOM 415 CA VAL A 30 -10.528 -6.824 -0.885 1.00 0.00 C ATOM 416 C VAL A 30 -10.726 -7.688 -2.084 1.00 0.00 C ATOM 417 O VAL A 30 -11.762 -7.628 -2.745 1.00 0.00 O ATOM 418 CB VAL A 30 -9.740 -5.579 -1.166 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.234 -5.849 -1.320 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.278 -4.843 -2.406 1.00 0.00 C ATOM 0 H VAL A 30 -8.999 -7.403 0.364 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.515 -6.468 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.867 -4.938 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.715 -4.912 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.847 -6.287 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.071 -6.540 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.685 -3.945 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.212 -5.498 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.319 -4.564 -2.240 1.00 0.00 H new ATOM 430 N ARG A 31 -9.756 -8.572 -2.375 1.00 0.00 N ATOM 431 CA ARG A 31 -9.905 -9.705 -3.234 1.00 0.00 C ATOM 432 C ARG A 31 -9.330 -10.872 -2.508 1.00 0.00 C ATOM 433 O ARG A 31 -9.396 -10.969 -1.284 1.00 0.00 O ATOM 434 CB ARG A 31 -9.203 -9.462 -4.581 1.00 0.00 C ATOM 435 CG ARG A 31 -9.897 -8.485 -5.531 1.00 0.00 C ATOM 436 CD ARG A 31 -11.110 -9.048 -6.274 1.00 0.00 C ATOM 437 NE ARG A 31 -12.282 -8.971 -5.356 1.00 0.00 N ATOM 438 CZ ARG A 31 -13.248 -9.922 -5.204 1.00 0.00 C ATOM 439 NH1 ARG A 31 -13.175 -11.160 -5.772 1.00 0.00 N ATOM 440 NH2 ARG A 31 -14.320 -9.628 -4.410 1.00 0.00 N ATOM 0 H ARG A 31 -8.815 -8.491 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.953 -9.890 -3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.197 -9.092 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.096 -10.420 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.214 -7.612 -4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.170 -8.139 -6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.299 -8.478 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.928 -10.079 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.370 -8.128 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.369 -11.412 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.927 -11.834 -5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.381 -8.719 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.060 -10.318 -4.276 1.00 0.00 H new ATOM 454 N HIS A 32 -8.698 -11.817 -3.230 1.00 0.00 N ATOM 455 CA HIS A 32 -7.888 -12.889 -2.740 1.00 0.00 C ATOM 456 C HIS A 32 -6.519 -12.411 -2.398 1.00 0.00 C ATOM 457 O HIS A 32 -5.507 -12.892 -2.902 1.00 0.00 O ATOM 458 CB HIS A 32 -7.816 -13.981 -3.820 1.00 0.00 C ATOM 459 CG HIS A 32 -7.499 -13.470 -5.194 1.00 0.00 C ATOM 460 ND1 HIS A 32 -8.487 -12.859 -5.940 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.312 -13.418 -5.854 1.00 0.00 C ATOM 462 CE1 HIS A 32 -7.888 -12.446 -7.041 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.565 -12.764 -7.041 1.00 0.00 N ATOM 0 H HIS A 32 -8.762 -11.829 -4.248 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.334 -13.291 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.059 -14.710 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.770 -14.508 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.363 -13.809 -5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.386 -11.921 -7.843 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.890 -12.558 -7.778 1.00 0.00 H new ATOM 471 N GLY A 33 -6.441 -11.392 -1.523 1.00 0.00 N ATOM 472 CA GLY A 33 -5.292 -10.569 -1.312 1.00 0.00 C ATOM 473 C GLY A 33 -5.693 -9.167 -1.625 1.00 0.00 C ATOM 474 O GLY A 33 -6.878 -8.837 -1.656 1.00 0.00 O ATOM 0 H GLY A 33 -7.227 -11.128 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.945 -10.649 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.468 -10.886 -1.952 1.00 0.00 H new ATOM 478 N GLY A 34 -4.705 -8.295 -1.895 1.00 0.00 N ATOM 479 CA GLY A 34 -4.920 -6.931 -2.266 1.00 0.00 C ATOM 480 C GLY A 34 -4.788 -6.001 -1.108 1.00 0.00 C ATOM 481 O GLY A 34 -5.070 -6.339 0.040 1.00 0.00 O ATOM 0 H GLY A 34 -3.718 -8.550 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.204 -6.650 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.914 -6.828 -2.700 1.00 0.00 H new ATOM 485 N ILE A 35 -4.359 -4.757 -1.383 1.00 0.00 N ATOM 486 CA ILE A 35 -3.985 -3.808 -0.382 1.00 0.00 C ATOM 487 C ILE A 35 -4.770 -2.561 -0.606 1.00 0.00 C ATOM 488 O ILE A 35 -4.902 -2.064 -1.723 1.00 0.00 O ATOM 489 CB ILE A 35 -2.509 -3.555 -0.458 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.676 -4.743 0.052 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.082 -2.250 0.236 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.630 -4.895 1.572 1.00 0.00 C ATOM 0 H ILE A 35 -4.269 -4.400 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.202 -4.186 0.617 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.298 -3.436 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.078 -5.660 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.656 -4.638 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.003 -2.126 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.585 -1.406 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.355 -2.293 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.019 -5.759 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.197 -3.998 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.641 -5.036 1.954 1.00 0.00 H new ATOM 504 N TYR A 36 -5.358 -2.019 0.475 1.00 0.00 N ATOM 505 CA TYR A 36 -6.242 -0.894 0.440 1.00 0.00 C ATOM 506 C TYR A 36 -5.729 0.146 1.375 1.00 0.00 C ATOM 507 O TYR A 36 -5.251 -0.171 2.463 1.00 0.00 O ATOM 508 CB TYR A 36 -7.631 -1.367 0.905 1.00 0.00 C ATOM 509 CG TYR A 36 -8.731 -0.838 0.050 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.959 -1.411 -1.180 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.561 0.163 0.496 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.023 -1.002 -1.950 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.624 0.578 -0.271 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.855 -0.006 -1.494 1.00 0.00 C ATOM 515 OH TYR A 36 -11.957 0.386 -2.284 1.00 0.00 O ATOM 0 H TYR A 36 -5.211 -2.381 1.417 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.305 -0.478 -0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.661 -2.457 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.792 -1.051 1.936 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.299 -2.186 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.377 0.626 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.205 -1.462 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.276 1.361 0.087 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.450 1.099 -1.827 1.00 0.00 H new ATOM 525 N VAL A 37 -5.798 1.439 1.014 1.00 0.00 N ATOM 526 CA VAL A 37 -5.346 2.493 1.871 1.00 0.00 C ATOM 527 C VAL A 37 -6.355 2.793 2.924 1.00 0.00 C ATOM 528 O VAL A 37 -7.529 3.024 2.635 1.00 0.00 O ATOM 529 CB VAL A 37 -5.019 3.744 1.110 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.490 4.843 2.047 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.947 3.436 0.050 1.00 0.00 C ATOM 0 H VAL A 37 -6.171 1.758 0.120 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.429 2.139 2.342 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.933 4.099 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.262 5.737 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.247 5.079 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.586 4.493 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.710 4.345 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.047 3.064 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.324 2.680 -0.639 1.00 0.00 H new ATOM 541 N LYS A 38 -5.951 2.804 4.207 1.00 0.00 N ATOM 542 CA LYS A 38 -6.833 3.089 5.296 1.00 0.00 C ATOM 543 C LYS A 38 -6.853 4.549 5.594 1.00 0.00 C ATOM 544 O LYS A 38 -7.891 5.202 5.500 1.00 0.00 O ATOM 545 CB LYS A 38 -6.446 2.297 6.556 1.00 0.00 C ATOM 546 CG LYS A 38 -7.159 2.724 7.841 1.00 0.00 C ATOM 547 CD LYS A 38 -6.888 1.777 9.011 1.00 0.00 C ATOM 548 CE LYS A 38 -7.146 2.392 10.388 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.513 2.948 10.494 1.00 0.00 N ATOM 0 H LYS A 38 -4.991 2.611 4.494 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.833 2.779 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.652 1.241 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.371 2.391 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.839 3.730 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.232 2.770 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.512 0.891 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.851 1.445 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.001 1.634 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.417 3.180 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.679 3.279 11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.616 3.745 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.207 2.211 10.256 1.00 0.00 H new ATOM 563 N ALA A 39 -5.701 5.121 5.988 1.00 0.00 N ATOM 564 CA ALA A 39 -5.626 6.500 6.359 1.00 0.00 C ATOM 565 C ALA A 39 -4.209 6.959 6.294 1.00 0.00 C ATOM 566 O ALA A 39 -3.269 6.171 6.399 1.00 0.00 O ATOM 567 CB ALA A 39 -6.161 6.726 7.782 1.00 0.00 C ATOM 0 H ALA A 39 -4.813 4.622 6.050 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.241 7.070 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.090 7.784 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.203 6.410 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.570 6.145 8.490 1.00 0.00 H new ATOM 573 N VAL A 40 -4.014 8.280 6.138 1.00 0.00 N ATOM 574 CA VAL A 40 -2.729 8.907 6.149 1.00 0.00 C ATOM 575 C VAL A 40 -2.424 9.312 7.550 1.00 0.00 C ATOM 576 O VAL A 40 -3.266 9.859 8.262 1.00 0.00 O ATOM 577 CB VAL A 40 -2.692 10.071 5.203 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.327 10.777 5.262 1.00 0.00 C ATOM 579 CG2 VAL A 40 -2.959 9.582 3.770 1.00 0.00 C ATOM 0 H VAL A 40 -4.781 8.937 5.999 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.964 8.211 5.804 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.464 10.782 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.322 11.618 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.149 11.140 6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.541 10.074 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.932 10.430 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.195 8.859 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.940 9.110 3.724 1.00 0.00 H new ATOM 589 N ILE A 41 -1.202 9.018 8.030 1.00 0.00 N ATOM 590 CA ILE A 41 -0.782 9.358 9.354 1.00 0.00 C ATOM 591 C ILE A 41 -0.311 10.771 9.356 1.00 0.00 C ATOM 592 O ILE A 41 0.537 11.078 8.518 1.00 0.00 O ATOM 593 CB ILE A 41 0.281 8.413 9.831 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.177 6.945 9.789 1.00 0.00 C ATOM 595 CG2 ILE A 41 0.767 8.779 11.243 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.378 6.609 10.672 1.00 0.00 C ATOM 0 H ILE A 41 -0.489 8.533 7.485 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.618 9.265 10.047 1.00 0.00 H new ATOM 0 HB ILE A 41 1.116 8.517 9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.422 6.687 8.758 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.659 6.312 10.086 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.537 8.074 11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.180 9.788 11.236 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.071 8.735 11.939 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.620 5.551 10.570 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.137 6.827 11.712 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.235 7.208 10.364 1.00 0.00 H new ATOM 608 N PRO A 42 -0.725 11.693 10.173 1.00 0.00 N ATOM 609 CA PRO A 42 -0.317 13.065 10.101 1.00 0.00 C ATOM 610 C PRO A 42 1.018 13.318 10.713 1.00 0.00 C ATOM 611 O PRO A 42 1.219 14.325 11.389 1.00 0.00 O ATOM 612 CB PRO A 42 -1.432 13.803 10.841 1.00 0.00 C ATOM 613 CG PRO A 42 -1.863 12.811 11.933 1.00 0.00 C ATOM 614 CD PRO A 42 -1.763 11.479 11.171 1.00 0.00 C ATOM 0 HA PRO A 42 -0.188 13.397 9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.076 14.740 11.269 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.259 14.050 10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.204 12.841 12.801 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.873 13.006 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.503 10.659 11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.713 11.220 10.703 1.00 0.00 H new ATOM 622 N GLN A 43 1.983 12.413 10.466 1.00 0.00 N ATOM 623 CA GLN A 43 3.346 12.442 10.897 1.00 0.00 C ATOM 624 C GLN A 43 4.145 11.827 9.800 1.00 0.00 C ATOM 625 O GLN A 43 4.890 10.870 10.001 1.00 0.00 O ATOM 626 CB GLN A 43 3.553 11.636 12.191 1.00 0.00 C ATOM 627 CG GLN A 43 2.771 12.146 13.403 1.00 0.00 C ATOM 628 CD GLN A 43 2.973 11.242 14.611 1.00 0.00 C ATOM 629 OE1 GLN A 43 2.247 10.272 14.819 1.00 0.00 O ATOM 630 NE2 GLN A 43 4.010 11.546 15.436 1.00 0.00 N ATOM 0 H GLN A 43 1.786 11.581 9.910 1.00 0.00 H new ATOM 0 HA GLN A 43 3.649 13.468 11.108 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.270 10.600 12.005 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.615 11.637 12.436 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.092 13.159 13.646 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.710 12.198 13.158 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.597 12.357 15.240 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.201 10.963 16.251 1.00 0.00 H new ATOM 639 N GLY A 44 3.996 12.320 8.557 1.00 0.00 N ATOM 640 CA GLY A 44 4.633 11.702 7.435 1.00 0.00 C ATOM 641 C GLY A 44 4.511 12.451 6.153 1.00 0.00 C ATOM 642 O GLY A 44 3.639 13.300 5.973 1.00 0.00 O ATOM 0 H GLY A 44 3.437 13.142 8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.691 11.571 7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.211 10.706 7.299 1.00 0.00 H new ATOM 646 N ALA A 45 5.390 12.117 5.191 1.00 0.00 N ATOM 647 CA ALA A 45 5.453 12.608 3.851 1.00 0.00 C ATOM 648 C ALA A 45 4.217 12.432 3.038 1.00 0.00 C ATOM 649 O ALA A 45 3.880 13.291 2.225 1.00 0.00 O ATOM 650 CB ALA A 45 6.640 11.934 3.141 1.00 0.00 C ATOM 0 H ALA A 45 6.127 11.436 5.373 1.00 0.00 H new ATOM 0 HA ALA A 45 5.576 13.688 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.704 12.297 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.563 12.173 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.495 10.854 3.135 1.00 0.00 H new ATOM 656 N ALA A 46 3.448 11.352 3.267 1.00 0.00 N ATOM 657 CA ALA A 46 2.150 11.146 2.701 1.00 0.00 C ATOM 658 C ALA A 46 1.178 12.249 2.943 1.00 0.00 C ATOM 659 O ALA A 46 0.418 12.619 2.048 1.00 0.00 O ATOM 660 CB ALA A 46 1.598 9.806 3.214 1.00 0.00 C ATOM 0 H ALA A 46 3.744 10.588 3.874 1.00 0.00 H new ATOM 0 HA ALA A 46 2.277 11.131 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.608 9.634 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.266 8.999 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.528 9.834 4.301 1.00 0.00 H new ATOM 666 N GLU A 47 1.191 12.863 4.139 1.00 0.00 N ATOM 667 CA GLU A 47 0.397 14.005 4.470 1.00 0.00 C ATOM 668 C GLU A 47 0.983 15.260 3.923 1.00 0.00 C ATOM 669 O GLU A 47 0.270 16.123 3.414 1.00 0.00 O ATOM 670 CB GLU A 47 0.193 14.120 5.991 1.00 0.00 C ATOM 671 CG GLU A 47 -0.758 15.214 6.480 1.00 0.00 C ATOM 672 CD GLU A 47 -2.243 15.001 6.222 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.645 14.347 5.223 1.00 0.00 O ATOM 674 OE2 GLU A 47 -3.058 15.545 7.015 1.00 0.00 O ATOM 0 H GLU A 47 1.781 12.550 4.910 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.578 13.863 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.175 13.162 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.167 14.285 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.614 15.334 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.464 16.153 6.012 1.00 0.00 H new ATOM 681 N SER A 48 2.320 15.412 3.954 1.00 0.00 N ATOM 682 CA SER A 48 3.024 16.543 3.436 1.00 0.00 C ATOM 683 C SER A 48 2.759 16.787 1.989 1.00 0.00 C ATOM 684 O SER A 48 2.445 17.897 1.563 1.00 0.00 O ATOM 685 CB SER A 48 4.553 16.431 3.552 1.00 0.00 C ATOM 686 OG SER A 48 4.973 16.193 4.887 1.00 0.00 O ATOM 0 H SER A 48 2.939 14.711 4.361 1.00 0.00 H new ATOM 0 HA SER A 48 2.647 17.357 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.906 15.622 2.912 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.012 17.350 3.187 1.00 0.00 H new ATOM 0 HG SER A 48 5.950 16.127 4.916 1.00 0.00 H new ATOM 692 N ASP A 49 2.855 15.719 1.178 1.00 0.00 N ATOM 693 CA ASP A 49 2.602 15.737 -0.229 1.00 0.00 C ATOM 694 C ASP A 49 1.152 15.830 -0.554 1.00 0.00 C ATOM 695 O ASP A 49 0.688 16.836 -1.089 1.00 0.00 O ATOM 696 CB ASP A 49 3.302 14.499 -0.819 1.00 0.00 C ATOM 697 CG ASP A 49 3.377 14.560 -2.337 1.00 0.00 C ATOM 698 OD1 ASP A 49 3.994 15.523 -2.865 1.00 0.00 O ATOM 699 OD2 ASP A 49 2.868 13.629 -3.016 1.00 0.00 O ATOM 0 H ASP A 49 3.123 14.796 1.521 1.00 0.00 H new ATOM 0 HA ASP A 49 3.011 16.638 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.309 14.421 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.764 13.600 -0.518 1.00 0.00 H new ATOM 704 N GLY A 50 0.348 14.804 -0.224 1.00 0.00 N ATOM 705 CA GLY A 50 -1.053 14.768 -0.509 1.00 0.00 C ATOM 706 C GLY A 50 -1.397 14.419 -1.916 1.00 0.00 C ATOM 707 O GLY A 50 -1.717 15.282 -2.731 1.00 0.00 O ATOM 0 H GLY A 50 0.685 13.970 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.526 14.045 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.482 15.743 -0.276 1.00 0.00 H new ATOM 711 N ARG A 51 -1.346 13.114 -2.240 1.00 0.00 N ATOM 712 CA ARG A 51 -1.521 12.577 -3.553 1.00 0.00 C ATOM 713 C ARG A 51 -2.346 11.337 -3.514 1.00 0.00 C ATOM 714 O ARG A 51 -3.106 11.005 -4.422 1.00 0.00 O ATOM 715 CB ARG A 51 -0.119 12.297 -4.120 1.00 0.00 C ATOM 716 CG ARG A 51 -0.002 11.956 -5.607 1.00 0.00 C ATOM 717 CD ARG A 51 1.472 11.964 -6.021 1.00 0.00 C ATOM 718 NE ARG A 51 1.616 11.664 -7.473 1.00 0.00 N ATOM 719 CZ ARG A 51 2.825 11.543 -8.095 1.00 0.00 C ATOM 720 NH1 ARG A 51 4.018 11.712 -7.453 1.00 0.00 N ATOM 721 NH2 ARG A 51 2.862 11.200 -9.415 1.00 0.00 N ATOM 0 H ARG A 51 -1.172 12.391 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.052 13.284 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.500 13.173 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.312 11.472 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.440 10.977 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.561 12.679 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.911 12.937 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.022 11.227 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 51 0.770 11.543 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.034 11.941 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.893 11.610 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.993 11.038 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.758 11.106 -9.893 1.00 0.00 H new ATOM 735 N ILE A 52 -2.260 10.591 -2.398 1.00 0.00 N ATOM 736 CA ILE A 52 -2.889 9.326 -2.177 1.00 0.00 C ATOM 737 C ILE A 52 -3.652 9.517 -0.912 1.00 0.00 C ATOM 738 O ILE A 52 -3.176 10.171 0.015 1.00 0.00 O ATOM 739 CB ILE A 52 -1.894 8.222 -1.977 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.830 8.212 -3.088 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.629 6.874 -1.898 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.312 7.238 -2.804 1.00 0.00 C ATOM 0 H ILE A 52 -1.711 10.895 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.500 9.040 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.368 8.394 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.301 7.946 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.424 9.217 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.905 6.073 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.327 6.889 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.177 6.704 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.032 7.274 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.805 7.517 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.086 6.227 -2.715 1.00 0.00 H new ATOM 754 N HIS A 53 -4.891 9.001 -0.818 1.00 0.00 N ATOM 755 CA HIS A 53 -5.679 9.199 0.359 1.00 0.00 C ATOM 756 C HIS A 53 -6.421 7.951 0.695 1.00 0.00 C ATOM 757 O HIS A 53 -6.219 6.897 0.094 1.00 0.00 O ATOM 758 CB HIS A 53 -6.587 10.433 0.229 1.00 0.00 C ATOM 759 CG HIS A 53 -7.443 10.476 -1.002 1.00 0.00 C ATOM 760 ND1 HIS A 53 -7.706 11.699 -1.586 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.101 9.486 -1.662 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.510 11.440 -2.600 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.784 10.110 -2.687 1.00 0.00 N ATOM 0 H HIS A 53 -5.344 8.452 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.017 9.412 1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.236 10.479 1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.962 11.326 0.248 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.091 8.431 -1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.900 12.188 -3.274 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.382 9.659 -3.379 1.00 0.00 H new ATOM 771 N LYS A 54 -7.305 8.019 1.707 1.00 0.00 N ATOM 772 CA LYS A 54 -8.084 6.912 2.169 1.00 0.00 C ATOM 773 C LYS A 54 -8.940 6.277 1.129 1.00 0.00 C ATOM 774 O LYS A 54 -9.627 6.926 0.343 1.00 0.00 O ATOM 775 CB LYS A 54 -8.908 7.304 3.408 1.00 0.00 C ATOM 776 CG LYS A 54 -9.744 8.579 3.274 1.00 0.00 C ATOM 777 CD LYS A 54 -10.590 8.830 4.524 1.00 0.00 C ATOM 778 CE LYS A 54 -11.491 10.064 4.449 1.00 0.00 C ATOM 779 NZ LYS A 54 -10.689 11.306 4.403 1.00 0.00 N ATOM 0 H LYS A 54 -7.484 8.880 2.224 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.362 6.143 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.576 6.478 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.227 7.425 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.086 9.430 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.395 8.499 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.212 7.954 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.925 8.934 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.124 10.003 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.154 10.087 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.325 12.129 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.091 11.365 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.087 11.299 3.555 1.00 0.00 H new ATOM 793 N GLY A 55 -8.926 4.932 1.089 1.00 0.00 N ATOM 794 CA GLY A 55 -9.666 4.137 0.159 1.00 0.00 C ATOM 795 C GLY A 55 -9.168 4.026 -1.241 1.00 0.00 C ATOM 796 O GLY A 55 -9.887 3.478 -2.075 1.00 0.00 O ATOM 0 H GLY A 55 -8.371 4.373 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.734 3.128 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.680 4.534 0.119 1.00 0.00 H new ATOM 800 N ASP A 56 -7.939 4.470 -1.560 1.00 0.00 N ATOM 801 CA ASP A 56 -7.317 4.208 -2.821 1.00 0.00 C ATOM 802 C ASP A 56 -6.808 2.809 -2.885 1.00 0.00 C ATOM 803 O ASP A 56 -6.567 2.164 -1.866 1.00 0.00 O ATOM 804 CB ASP A 56 -6.237 5.259 -3.125 1.00 0.00 C ATOM 805 CG ASP A 56 -6.810 6.643 -3.401 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.999 6.741 -3.806 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.053 7.643 -3.285 1.00 0.00 O ATOM 0 H ASP A 56 -7.364 5.025 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.065 4.297 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.549 5.319 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.656 4.934 -3.988 1.00 0.00 H new ATOM 812 N ARG A 57 -6.677 2.234 -4.093 1.00 0.00 N ATOM 813 CA ARG A 57 -6.575 0.824 -4.309 1.00 0.00 C ATOM 814 C ARG A 57 -5.334 0.511 -5.074 1.00 0.00 C ATOM 815 O ARG A 57 -5.187 0.917 -6.226 1.00 0.00 O ATOM 816 CB ARG A 57 -7.810 0.331 -5.083 1.00 0.00 C ATOM 817 CG ARG A 57 -8.011 -1.181 -5.195 1.00 0.00 C ATOM 818 CD ARG A 57 -7.340 -1.928 -6.349 1.00 0.00 C ATOM 819 NE ARG A 57 -8.045 -1.631 -7.627 1.00 0.00 N ATOM 820 CZ ARG A 57 -8.025 -2.460 -8.711 1.00 0.00 C ATOM 821 NH1 ARG A 57 -7.571 -3.744 -8.633 1.00 0.00 N ATOM 822 NH2 ARG A 57 -8.482 -2.024 -9.920 1.00 0.00 N ATOM 0 H ARG A 57 -6.641 2.775 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.529 0.317 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.696 0.755 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.761 0.740 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.664 -1.630 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.083 -1.368 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.293 -1.633 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.355 -3.001 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.572 -0.760 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.232 -4.112 -7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.570 -4.336 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.841 -1.074 -10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.465 -2.648 -10.727 1.00 0.00 H new ATOM 836 N VAL A 58 -4.360 -0.212 -4.494 1.00 0.00 N ATOM 837 CA VAL A 58 -3.077 -0.362 -5.106 1.00 0.00 C ATOM 838 C VAL A 58 -2.932 -1.599 -5.926 1.00 0.00 C ATOM 839 O VAL A 58 -3.606 -2.606 -5.719 1.00 0.00 O ATOM 840 CB VAL A 58 -1.935 -0.213 -4.147 1.00 0.00 C ATOM 841 CG1 VAL A 58 -2.177 1.016 -3.254 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.731 -1.462 -3.271 1.00 0.00 C ATOM 0 H VAL A 58 -4.461 -0.693 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.026 0.476 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.027 -0.084 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.348 1.127 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.250 1.909 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.105 0.884 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.891 -1.299 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.634 -1.650 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.523 -2.323 -3.907 1.00 0.00 H new ATOM 852 N LEU A 59 -2.026 -1.552 -6.919 1.00 0.00 N ATOM 853 CA LEU A 59 -1.768 -2.627 -7.826 1.00 0.00 C ATOM 854 C LEU A 59 -0.335 -3.030 -7.757 1.00 0.00 C ATOM 855 O LEU A 59 0.033 -3.923 -6.997 1.00 0.00 O ATOM 856 CB LEU A 59 -2.156 -2.218 -9.257 1.00 0.00 C ATOM 857 CG LEU A 59 -3.670 -2.213 -9.524 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.005 -1.413 -10.794 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.211 -3.648 -9.656 1.00 0.00 C ATOM 0 H LEU A 59 -1.449 -0.730 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.376 -3.485 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.760 -1.223 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.677 -2.900 -9.960 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.150 -1.733 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.082 -1.426 -10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.669 -0.383 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.502 -1.862 -11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.284 -3.616 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.712 -4.150 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.021 -4.195 -8.733 1.00 0.00 H new ATOM 871 N ALA A 60 0.539 -2.413 -8.573 1.00 0.00 N ATOM 872 CA ALA A 60 1.859 -2.899 -8.824 1.00 0.00 C ATOM 873 C ALA A 60 2.930 -2.236 -8.028 1.00 0.00 C ATOM 874 O ALA A 60 2.936 -1.024 -7.822 1.00 0.00 O ATOM 875 CB ALA A 60 2.181 -2.779 -10.323 1.00 0.00 C ATOM 0 H ALA A 60 0.320 -1.551 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 60 1.854 -3.941 -8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.189 -3.151 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.465 -3.367 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.118 -1.734 -10.626 1.00 0.00 H new ATOM 881 N VAL A 61 3.921 -3.030 -7.582 1.00 0.00 N ATOM 882 CA VAL A 61 5.081 -2.564 -6.886 1.00 0.00 C ATOM 883 C VAL A 61 6.175 -2.386 -7.881 1.00 0.00 C ATOM 884 O VAL A 61 6.761 -3.353 -8.363 1.00 0.00 O ATOM 885 CB VAL A 61 5.504 -3.495 -5.787 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.754 -2.973 -5.061 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.358 -3.643 -4.772 1.00 0.00 C ATOM 0 H VAL A 61 3.913 -4.042 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 61 4.845 -1.616 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 61 5.743 -4.460 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.034 -3.670 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.575 -2.881 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.540 -1.997 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.664 -4.319 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.118 -2.667 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.479 -4.048 -5.273 1.00 0.00 H new ATOM 897 N ASN A 62 6.448 -1.129 -8.275 1.00 0.00 N ATOM 898 CA ASN A 62 7.468 -0.744 -9.201 1.00 0.00 C ATOM 899 C ASN A 62 7.347 -1.381 -10.542 1.00 0.00 C ATOM 900 O ASN A 62 8.313 -1.826 -11.160 1.00 0.00 O ATOM 901 CB ASN A 62 8.845 -0.823 -8.521 1.00 0.00 C ATOM 902 CG ASN A 62 9.969 -0.187 -9.325 1.00 0.00 C ATOM 903 OD1 ASN A 62 9.876 0.945 -9.798 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.108 -0.917 -9.465 1.00 0.00 N ATOM 0 H ASN A 62 5.921 -0.330 -7.923 1.00 0.00 H new ATOM 0 HA ASN A 62 7.326 0.304 -9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.787 -0.335 -7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.089 -1.869 -8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.905 -0.528 -9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.166 -1.854 -9.066 1.00 0.00 H new ATOM 911 N GLY A 63 6.110 -1.453 -11.064 1.00 0.00 N ATOM 912 CA GLY A 63 5.814 -2.011 -12.347 1.00 0.00 C ATOM 913 C GLY A 63 5.300 -3.409 -12.295 1.00 0.00 C ATOM 914 O GLY A 63 4.569 -3.840 -13.185 1.00 0.00 O ATOM 0 H GLY A 63 5.284 -1.109 -10.574 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.076 -1.382 -12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.716 -1.989 -12.959 1.00 0.00 H new ATOM 918 N VAL A 64 5.667 -4.180 -11.257 1.00 0.00 N ATOM 919 CA VAL A 64 5.352 -5.571 -11.140 1.00 0.00 C ATOM 920 C VAL A 64 4.071 -5.793 -10.413 1.00 0.00 C ATOM 921 O VAL A 64 3.951 -5.509 -9.222 1.00 0.00 O ATOM 922 CB VAL A 64 6.446 -6.337 -10.458 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.135 -7.843 -10.440 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.767 -6.080 -11.203 1.00 0.00 C ATOM 0 H VAL A 64 6.204 -3.821 -10.468 1.00 0.00 H new ATOM 0 HA VAL A 64 5.246 -5.941 -12.160 1.00 0.00 H new ATOM 0 HB VAL A 64 6.527 -6.001 -9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.944 -8.376 -9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.201 -8.015 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.039 -8.207 -11.463 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.572 -6.632 -10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.672 -6.412 -12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.994 -5.014 -11.184 1.00 0.00 H new ATOM 934 N SER A 65 3.042 -6.308 -11.109 1.00 0.00 N ATOM 935 CA SER A 65 1.854 -6.810 -10.491 1.00 0.00 C ATOM 936 C SER A 65 2.042 -8.196 -9.978 1.00 0.00 C ATOM 937 O SER A 65 2.166 -9.143 -10.754 1.00 0.00 O ATOM 938 CB SER A 65 0.633 -6.829 -11.426 1.00 0.00 C ATOM 939 OG SER A 65 0.243 -5.517 -11.801 1.00 0.00 O ATOM 0 H SER A 65 3.035 -6.377 -12.127 1.00 0.00 H new ATOM 0 HA SER A 65 1.662 -6.115 -9.674 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.866 -7.409 -12.319 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.199 -7.329 -10.929 1.00 0.00 H new ATOM 0 HG SER A 65 -0.534 -5.564 -12.396 1.00 0.00 H new ATOM 945 N LEU A 66 2.041 -8.393 -8.647 1.00 0.00 N ATOM 946 CA LEU A 66 2.198 -9.668 -8.019 1.00 0.00 C ATOM 947 C LEU A 66 0.956 -9.984 -7.260 1.00 0.00 C ATOM 948 O LEU A 66 0.853 -9.746 -6.058 1.00 0.00 O ATOM 949 CB LEU A 66 3.437 -9.635 -7.110 1.00 0.00 C ATOM 950 CG LEU A 66 4.157 -10.973 -6.874 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.225 -12.102 -6.403 1.00 0.00 C ATOM 952 CD2 LEU A 66 4.953 -11.409 -8.116 1.00 0.00 C ATOM 0 H LEU A 66 1.926 -7.630 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 66 2.352 -10.453 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.154 -8.934 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.138 -9.234 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 66 4.853 -10.789 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.803 -13.014 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.755 -11.817 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.456 -12.276 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.450 -12.358 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.274 -11.526 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.700 -10.652 -8.354 1.00 0.00 H new ATOM 964 N GLU A 67 -0.090 -10.514 -7.919 1.00 0.00 N ATOM 965 CA GLU A 67 -1.299 -10.884 -7.250 1.00 0.00 C ATOM 966 C GLU A 67 -1.170 -12.063 -6.348 1.00 0.00 C ATOM 967 O GLU A 67 -0.434 -13.012 -6.615 1.00 0.00 O ATOM 968 CB GLU A 67 -2.528 -10.988 -8.167 1.00 0.00 C ATOM 969 CG GLU A 67 -2.691 -12.276 -8.978 1.00 0.00 C ATOM 970 CD GLU A 67 -4.026 -12.331 -9.707 1.00 0.00 C ATOM 971 OE1 GLU A 67 -5.053 -11.864 -9.146 1.00 0.00 O ATOM 972 OE2 GLU A 67 -4.089 -12.894 -10.833 1.00 0.00 O ATOM 0 H GLU A 67 -0.098 -10.688 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.487 -10.031 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.419 -10.861 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.500 -10.151 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.880 -12.352 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.606 -13.135 -8.313 1.00 0.00 H new ATOM 979 N GLY A 68 -1.889 -12.050 -5.210 1.00 0.00 N ATOM 980 CA GLY A 68 -1.948 -13.149 -4.296 1.00 0.00 C ATOM 981 C GLY A 68 -1.136 -12.980 -3.059 1.00 0.00 C ATOM 982 O GLY A 68 -1.332 -13.716 -2.092 1.00 0.00 O ATOM 0 H GLY A 68 -2.447 -11.248 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.988 -13.311 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.615 -14.050 -4.812 1.00 0.00 H new ATOM 986 N ALA A 69 -0.202 -12.013 -3.034 1.00 0.00 N ATOM 987 CA ALA A 69 0.679 -11.727 -1.943 1.00 0.00 C ATOM 988 C ALA A 69 0.012 -11.430 -0.645 1.00 0.00 C ATOM 989 O ALA A 69 -0.887 -10.595 -0.558 1.00 0.00 O ATOM 990 CB ALA A 69 1.577 -10.537 -2.324 1.00 0.00 C ATOM 0 H ALA A 69 -0.052 -11.390 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 69 1.247 -12.643 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.252 -10.312 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.159 -10.790 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.957 -9.666 -2.534 1.00 0.00 H new ATOM 996 N THR A 70 0.424 -12.120 0.434 1.00 0.00 N ATOM 997 CA THR A 70 0.005 -11.865 1.777 1.00 0.00 C ATOM 998 C THR A 70 0.634 -10.622 2.306 1.00 0.00 C ATOM 999 O THR A 70 1.587 -10.068 1.761 1.00 0.00 O ATOM 1000 CB THR A 70 0.301 -12.992 2.722 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.545 -13.602 2.412 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.791 -14.067 2.594 1.00 0.00 C ATOM 0 H THR A 70 1.083 -12.895 0.365 1.00 0.00 H new ATOM 0 HA THR A 70 -1.078 -11.752 1.723 1.00 0.00 H new ATOM 0 HB THR A 70 0.335 -12.583 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.717 -14.332 3.042 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.577 -14.886 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.760 -13.632 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.811 -14.445 1.572 1.00 0.00 H new ATOM 1010 N HIS A 71 0.085 -10.095 3.415 1.00 0.00 N ATOM 1011 CA HIS A 71 0.391 -8.798 3.934 1.00 0.00 C ATOM 1012 C HIS A 71 1.816 -8.577 4.306 1.00 0.00 C ATOM 1013 O HIS A 71 2.392 -7.547 3.961 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.569 -8.499 5.097 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.811 -7.050 5.403 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.264 -5.973 4.736 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.690 -6.521 6.297 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.831 -4.854 5.259 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.690 -5.144 6.219 1.00 0.00 N ATOM 0 H HIS A 71 -0.604 -10.596 3.976 1.00 0.00 H new ATOM 0 HA HIS A 71 0.242 -8.086 3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.529 -8.967 4.878 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.178 -8.978 5.995 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.302 -7.099 6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.606 -3.850 4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.236 -4.491 6.781 1.00 0.00 H new ATOM 1027 N LYS A 72 2.465 -9.560 4.955 1.00 0.00 N ATOM 1028 CA LYS A 72 3.863 -9.600 5.253 1.00 0.00 C ATOM 1029 C LYS A 72 4.751 -9.456 4.066 1.00 0.00 C ATOM 1030 O LYS A 72 5.771 -8.770 4.110 1.00 0.00 O ATOM 1031 CB LYS A 72 4.140 -10.932 5.969 1.00 0.00 C ATOM 1032 CG LYS A 72 5.588 -11.345 6.244 1.00 0.00 C ATOM 1033 CD LYS A 72 6.370 -10.469 7.224 1.00 0.00 C ATOM 1034 CE LYS A 72 7.521 -11.263 7.845 1.00 0.00 C ATOM 1035 NZ LYS A 72 8.472 -10.429 8.612 1.00 0.00 N ATOM 0 H LYS A 72 1.975 -10.387 5.296 1.00 0.00 H new ATOM 0 HA LYS A 72 4.097 -8.739 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.619 -10.904 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.679 -11.724 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.586 -12.366 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.125 -11.360 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.761 -9.593 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.705 -10.106 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.109 -12.028 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.062 -11.781 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.874 -10.988 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.237 -10.109 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.974 -9.603 9.000 1.00 0.00 H new ATOM 1049 N GLN A 73 4.371 -10.057 2.924 1.00 0.00 N ATOM 1050 CA GLN A 73 5.117 -10.058 1.704 1.00 0.00 C ATOM 1051 C GLN A 73 5.103 -8.715 1.061 1.00 0.00 C ATOM 1052 O GLN A 73 6.137 -8.205 0.632 1.00 0.00 O ATOM 1053 CB GLN A 73 4.552 -11.109 0.735 1.00 0.00 C ATOM 1054 CG GLN A 73 4.665 -12.547 1.245 1.00 0.00 C ATOM 1055 CD GLN A 73 6.105 -12.988 1.466 1.00 0.00 C ATOM 1056 OE1 GLN A 73 6.599 -13.038 2.591 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.810 -13.349 0.360 1.00 0.00 N ATOM 0 H GLN A 73 3.493 -10.571 2.849 1.00 0.00 H new ATOM 0 HA GLN A 73 6.150 -10.310 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.503 -10.884 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.076 -11.030 -0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.115 -12.639 2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.191 -13.219 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.375 -13.298 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.773 -13.671 0.452 1.00 0.00 H new ATOM 1066 N ALA A 74 3.936 -8.048 1.017 1.00 0.00 N ATOM 1067 CA ALA A 74 3.800 -6.707 0.539 1.00 0.00 C ATOM 1068 C ALA A 74 4.498 -5.699 1.387 1.00 0.00 C ATOM 1069 O ALA A 74 5.263 -4.875 0.888 1.00 0.00 O ATOM 1070 CB ALA A 74 2.305 -6.360 0.434 1.00 0.00 C ATOM 0 H ALA A 74 3.054 -8.458 1.326 1.00 0.00 H new ATOM 0 HA ALA A 74 4.279 -6.665 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.193 -5.339 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.820 -7.047 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.841 -6.448 1.416 1.00 0.00 H new ATOM 1076 N VAL A 75 4.297 -5.738 2.715 1.00 0.00 N ATOM 1077 CA VAL A 75 4.815 -4.785 3.647 1.00 0.00 C ATOM 1078 C VAL A 75 6.303 -4.724 3.669 1.00 0.00 C ATOM 1079 O VAL A 75 6.874 -3.649 3.497 1.00 0.00 O ATOM 1080 CB VAL A 75 4.235 -4.949 5.020 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.922 -4.058 6.069 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.747 -4.573 4.925 1.00 0.00 C ATOM 0 H VAL A 75 3.746 -6.471 3.162 1.00 0.00 H new ATOM 0 HA VAL A 75 4.485 -3.814 3.279 1.00 0.00 H new ATOM 0 HB VAL A 75 4.383 -5.978 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.460 -4.220 7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.981 -4.310 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.813 -3.011 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.282 -4.678 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.653 -3.541 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.249 -5.233 4.215 1.00 0.00 H new ATOM 1092 N GLU A 76 7.021 -5.851 3.830 1.00 0.00 N ATOM 1093 CA GLU A 76 8.449 -5.816 3.872 1.00 0.00 C ATOM 1094 C GLU A 76 9.101 -5.529 2.563 1.00 0.00 C ATOM 1095 O GLU A 76 10.206 -4.989 2.525 1.00 0.00 O ATOM 1096 CB GLU A 76 9.056 -7.045 4.569 1.00 0.00 C ATOM 1097 CG GLU A 76 8.610 -7.096 6.032 1.00 0.00 C ATOM 1098 CD GLU A 76 9.490 -7.984 6.899 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.686 -9.178 6.547 1.00 0.00 O ATOM 1100 OE2 GLU A 76 9.950 -7.522 7.978 1.00 0.00 O ATOM 0 H GLU A 76 6.615 -6.781 3.930 1.00 0.00 H new ATOM 0 HA GLU A 76 8.678 -4.951 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.745 -7.954 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.144 -7.003 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.611 -6.085 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.583 -7.457 6.079 1.00 0.00 H new ATOM 1107 N THR A 77 8.421 -5.765 1.428 1.00 0.00 N ATOM 1108 CA THR A 77 8.854 -5.341 0.133 1.00 0.00 C ATOM 1109 C THR A 77 8.882 -3.855 0.024 1.00 0.00 C ATOM 1110 O THR A 77 9.817 -3.267 -0.519 1.00 0.00 O ATOM 1111 CB THR A 77 7.998 -5.896 -0.967 1.00 0.00 C ATOM 1112 OG1 THR A 77 8.054 -7.315 -0.957 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.476 -5.478 -2.368 1.00 0.00 C ATOM 0 H THR A 77 7.535 -6.271 1.411 1.00 0.00 H new ATOM 0 HA THR A 77 9.865 -5.732 0.015 1.00 0.00 H new ATOM 0 HB THR A 77 6.997 -5.507 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.553 -7.657 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.817 -5.910 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.457 -4.391 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.493 -5.836 -2.527 1.00 0.00 H new ATOM 1121 N LEU A 78 7.875 -3.164 0.586 1.00 0.00 N ATOM 1122 CA LEU A 78 7.803 -1.735 0.595 1.00 0.00 C ATOM 1123 C LEU A 78 8.634 -1.097 1.654 1.00 0.00 C ATOM 1124 O LEU A 78 9.094 0.031 1.489 1.00 0.00 O ATOM 1125 CB LEU A 78 6.336 -1.285 0.704 1.00 0.00 C ATOM 1126 CG LEU A 78 5.492 -1.687 -0.518 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.999 -1.421 -0.264 1.00 0.00 C ATOM 1128 CD2 LEU A 78 5.939 -0.973 -1.805 1.00 0.00 C ATOM 0 H LEU A 78 7.085 -3.613 1.049 1.00 0.00 H new ATOM 0 HA LEU A 78 8.225 -1.396 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.895 -1.718 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.302 -0.202 0.822 1.00 0.00 H new ATOM 0 HG LEU A 78 5.649 -2.756 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.423 -1.713 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.667 -2.001 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.847 -0.360 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.310 -1.293 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.846 0.105 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.978 -1.224 -2.018 1.00 0.00 H new ATOM 1140 N ARG A 79 8.918 -1.782 2.776 1.00 0.00 N ATOM 1141 CA ARG A 79 9.888 -1.363 3.738 1.00 0.00 C ATOM 1142 C ARG A 79 11.275 -1.400 3.191 1.00 0.00 C ATOM 1143 O ARG A 79 12.034 -0.446 3.353 1.00 0.00 O ATOM 1144 CB ARG A 79 9.810 -2.158 5.053 1.00 0.00 C ATOM 1145 CG ARG A 79 8.551 -1.856 5.867 1.00 0.00 C ATOM 1146 CD ARG A 79 8.485 -2.552 7.227 1.00 0.00 C ATOM 1147 NE ARG A 79 7.302 -1.995 7.943 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.111 -2.140 9.286 1.00 0.00 C ATOM 1149 NH1 ARG A 79 7.801 -3.038 10.050 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.177 -1.376 9.925 1.00 0.00 N ATOM 0 H ARG A 79 8.456 -2.658 3.021 1.00 0.00 H new ATOM 0 HA ARG A 79 9.639 -0.327 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.842 -3.224 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.688 -1.934 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.485 -0.779 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.679 -2.148 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.389 -3.631 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.398 -2.376 7.795 1.00 0.00 H new ATOM 0 HE ARG A 79 6.604 -1.482 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.500 -3.643 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.617 -3.104 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.625 -0.699 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.032 -1.482 10.929 1.00 0.00 H new ATOM 1164 N ASN A 80 11.651 -2.461 2.456 1.00 0.00 N ATOM 1165 CA ASN A 80 12.913 -2.619 1.803 1.00 0.00 C ATOM 1166 C ASN A 80 13.027 -1.850 0.531 1.00 0.00 C ATOM 1167 O ASN A 80 13.362 -2.367 -0.534 1.00 0.00 O ATOM 1168 CB ASN A 80 13.153 -4.125 1.609 1.00 0.00 C ATOM 1169 CG ASN A 80 14.593 -4.473 1.259 1.00 0.00 C ATOM 1170 OD1 ASN A 80 15.555 -3.976 1.843 1.00 0.00 O ATOM 1171 ND2 ASN A 80 14.763 -5.374 0.255 1.00 0.00 N ATOM 0 H ASN A 80 11.034 -3.259 2.309 1.00 0.00 H new ATOM 0 HA ASN A 80 13.695 -2.194 2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.873 -4.650 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.497 -4.490 0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.703 -5.651 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.951 -5.773 -0.215 1.00 0.00 H new ATOM 1178 N THR A 81 12.762 -0.534 0.604 1.00 0.00 N ATOM 1179 CA THR A 81 12.908 0.430 -0.443 1.00 0.00 C ATOM 1180 C THR A 81 14.071 1.307 -0.130 1.00 0.00 C ATOM 1181 O THR A 81 15.190 1.038 -0.562 1.00 0.00 O ATOM 1182 CB THR A 81 11.680 1.252 -0.703 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.059 1.696 0.494 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.648 0.390 -1.450 1.00 0.00 C ATOM 0 H THR A 81 12.418 -0.111 1.466 1.00 0.00 H new ATOM 0 HA THR A 81 13.076 -0.125 -1.366 1.00 0.00 H new ATOM 0 HB THR A 81 11.996 2.120 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.368 1.055 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.752 0.980 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.072 0.054 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.388 -0.476 -0.841 1.00 0.00 H new ATOM 1192 N GLY A 82 13.885 2.392 0.644 1.00 0.00 N ATOM 1193 CA GLY A 82 14.975 3.175 1.137 1.00 0.00 C ATOM 1194 C GLY A 82 15.321 4.363 0.307 1.00 0.00 C ATOM 1195 O GLY A 82 15.353 5.482 0.814 1.00 0.00 O ATOM 0 H GLY A 82 12.966 2.730 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.734 3.512 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.855 2.537 1.216 1.00 0.00 H new ATOM 1199 N GLN A 83 15.644 4.190 -0.988 1.00 0.00 N ATOM 1200 CA GLN A 83 15.894 5.292 -1.862 1.00 0.00 C ATOM 1201 C GLN A 83 14.642 5.873 -2.424 1.00 0.00 C ATOM 1202 O GLN A 83 14.259 7.003 -2.126 1.00 0.00 O ATOM 1203 CB GLN A 83 16.889 4.959 -2.987 1.00 0.00 C ATOM 1204 CG GLN A 83 17.458 6.215 -3.650 1.00 0.00 C ATOM 1205 CD GLN A 83 18.250 5.917 -4.914 1.00 0.00 C ATOM 1206 OE1 GLN A 83 19.178 5.111 -4.944 1.00 0.00 O ATOM 1207 NE2 GLN A 83 17.899 6.632 -6.016 1.00 0.00 N ATOM 0 H GLN A 83 15.732 3.276 -1.432 1.00 0.00 H new ATOM 0 HA GLN A 83 16.361 6.050 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.706 4.363 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.392 4.347 -3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.640 6.893 -3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.101 6.734 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.126 7.295 -5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.409 6.505 -6.890 1.00 0.00 H new ATOM 1216 N VAL A 84 13.962 5.102 -3.292 1.00 0.00 N ATOM 1217 CA VAL A 84 12.823 5.542 -4.036 1.00 0.00 C ATOM 1218 C VAL A 84 11.710 4.560 -3.904 1.00 0.00 C ATOM 1219 O VAL A 84 11.900 3.345 -3.867 1.00 0.00 O ATOM 1220 CB VAL A 84 13.186 5.825 -5.463 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.688 4.573 -6.204 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.032 6.490 -6.231 1.00 0.00 C ATOM 0 H VAL A 84 14.216 4.133 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 84 12.469 6.485 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 84 14.014 6.533 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.937 4.834 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.575 4.185 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.908 3.812 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.340 6.677 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.164 5.831 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.773 7.435 -5.753 1.00 0.00 H new ATOM 1232 N VAL A 85 10.469 5.067 -3.804 1.00 0.00 N ATOM 1233 CA VAL A 85 9.249 4.326 -3.706 1.00 0.00 C ATOM 1234 C VAL A 85 8.454 4.608 -4.934 1.00 0.00 C ATOM 1235 O VAL A 85 7.948 5.715 -5.114 1.00 0.00 O ATOM 1236 CB VAL A 85 8.471 4.735 -2.491 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.127 3.993 -2.412 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.295 4.434 -1.229 1.00 0.00 C ATOM 0 H VAL A 85 10.307 6.074 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 85 9.466 3.262 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 85 8.268 5.804 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.587 4.312 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.533 4.221 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.307 2.919 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.730 4.731 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.509 3.366 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.231 4.991 -1.265 1.00 0.00 H new ATOM 1248 N HIS A 86 8.317 3.631 -5.847 1.00 0.00 N ATOM 1249 CA HIS A 86 7.526 3.770 -7.031 1.00 0.00 C ATOM 1250 C HIS A 86 6.401 2.793 -7.024 1.00 0.00 C ATOM 1251 O HIS A 86 6.605 1.599 -6.813 1.00 0.00 O ATOM 1252 CB HIS A 86 8.381 3.579 -8.296 1.00 0.00 C ATOM 1253 CG HIS A 86 7.716 4.107 -9.532 1.00 0.00 C ATOM 1254 ND1 HIS A 86 7.575 5.475 -9.648 1.00 0.00 N ATOM 1255 CD2 HIS A 86 7.091 3.471 -10.558 1.00 0.00 C ATOM 1256 CE1 HIS A 86 6.846 5.651 -10.735 1.00 0.00 C ATOM 1257 NE2 HIS A 86 6.533 4.469 -11.332 1.00 0.00 N ATOM 0 H HIS A 86 8.768 2.720 -5.761 1.00 0.00 H new ATOM 0 HA HIS A 86 7.119 4.781 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.339 4.082 -8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.594 2.518 -8.428 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.041 2.406 -10.732 1.00 0.00 H new ATOM 0 HE1 HIS A 86 6.536 6.617 -11.106 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.991 4.344 -12.187 1.00 0.00 H new ATOM 1265 N LEU A 87 5.159 3.269 -7.227 1.00 0.00 N ATOM 1266 CA LEU A 87 3.970 2.489 -7.065 1.00 0.00 C ATOM 1267 C LEU A 87 2.955 2.805 -8.109 1.00 0.00 C ATOM 1268 O LEU A 87 2.891 3.916 -8.633 1.00 0.00 O ATOM 1269 CB LEU A 87 3.340 2.751 -5.687 1.00 0.00 C ATOM 1270 CG LEU A 87 3.971 1.963 -4.526 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.703 2.677 -3.191 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.439 0.520 -4.498 1.00 0.00 C ATOM 0 H LEU A 87 4.976 4.231 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 87 4.263 1.443 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.414 3.816 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.278 2.509 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 87 5.049 1.918 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.155 2.109 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.136 3.677 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.628 2.752 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.897 -0.021 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.357 0.534 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.685 0.023 -5.436 1.00 0.00 H new ATOM 1284 N LEU A 88 2.094 1.823 -8.432 1.00 0.00 N ATOM 1285 CA LEU A 88 1.041 1.943 -9.393 1.00 0.00 C ATOM 1286 C LEU A 88 -0.244 1.633 -8.707 1.00 0.00 C ATOM 1287 O LEU A 88 -0.394 0.577 -8.096 1.00 0.00 O ATOM 1288 CB LEU A 88 1.316 0.950 -10.535 1.00 0.00 C ATOM 1289 CG LEU A 88 0.512 1.048 -11.841 1.00 0.00 C ATOM 1290 CD1 LEU A 88 -0.943 0.558 -11.743 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.585 2.448 -12.473 1.00 0.00 C ATOM 0 H LEU A 88 2.134 0.899 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 88 0.985 2.948 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.371 1.037 -10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.168 -0.054 -10.136 1.00 0.00 H new ATOM 0 HG LEU A 88 1.011 0.346 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.429 0.666 -12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.955 -0.491 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.477 1.151 -11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.000 2.463 -13.393 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.183 3.183 -11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.623 2.691 -12.699 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.224 2.555 -8.747 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.439 2.414 -8.006 1.00 0.00 C ATOM 1305 C LEU A 89 -3.593 3.024 -8.723 1.00 0.00 C ATOM 1306 O LEU A 89 -3.454 3.758 -9.699 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.343 2.963 -6.573 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.791 4.382 -6.359 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.203 4.873 -4.960 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.259 4.485 -6.446 1.00 0.00 C ATOM 0 H LEU A 89 -1.172 3.410 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.609 1.341 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.342 2.929 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.722 2.277 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.208 4.988 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.816 5.879 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.290 4.886 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.795 4.202 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.046 5.519 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.192 3.849 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.072 4.160 -7.432 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.816 2.695 -8.268 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.066 3.150 -8.794 1.00 0.00 C ATOM 1324 C GLU A 90 -6.704 4.038 -7.783 1.00 0.00 C ATOM 1325 O GLU A 90 -6.646 3.777 -6.582 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.952 1.918 -9.039 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.295 2.197 -9.717 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.203 0.979 -9.631 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.534 0.516 -8.507 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.604 0.448 -10.701 1.00 0.00 O ATOM 0 H GLU A 90 -4.938 2.065 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.929 3.699 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.396 1.208 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.142 1.433 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.778 3.051 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.133 2.463 -10.762 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.359 5.132 -8.214 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.150 5.926 -7.326 1.00 0.00 C ATOM 1339 C LYS A 91 -9.408 5.234 -6.925 1.00 0.00 C ATOM 1340 O LYS A 91 -10.084 4.584 -7.720 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.490 7.309 -7.906 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.394 8.368 -7.757 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.106 8.715 -6.295 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.080 9.833 -6.095 1.00 0.00 C ATOM 1345 NZ LYS A 91 -5.788 9.993 -4.653 1.00 0.00 N ATOM 0 H LYS A 91 -7.340 5.466 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.529 6.072 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.720 7.194 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.395 7.676 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.479 8.008 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.692 9.271 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.040 9.006 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.751 7.819 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.164 9.600 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.463 10.768 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.823 10.362 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.468 10.658 -4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.868 9.071 -4.178 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.749 5.335 -5.628 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.876 4.674 -5.045 1.00 0.00 C ATOM 1361 C GLY A 92 -12.184 5.374 -5.182 1.00 0.00 C ATOM 1362 O GLY A 92 -12.522 5.989 -6.193 1.00 0.00 O ATOM 0 H GLY A 92 -9.221 5.897 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.966 3.686 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.676 4.524 -3.984 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.456 -9.086 10.845 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.226 -7.812 11.453 1.00 0.00 C ATOM 1562 C GLN B 11 -2.440 -6.658 10.536 1.00 0.00 C ATOM 1563 O GLN B 11 -2.758 -6.816 9.358 1.00 0.00 O ATOM 1564 CB GLN B 11 -0.831 -7.764 12.099 1.00 0.00 C ATOM 1565 CG GLN B 11 0.344 -7.693 11.122 1.00 0.00 C ATOM 1566 CD GLN B 11 1.712 -7.692 11.788 1.00 0.00 C ATOM 1567 OE1 GLN B 11 2.570 -8.519 11.480 1.00 0.00 O ATOM 1568 NE2 GLN B 11 1.954 -6.711 12.699 1.00 0.00 N ATOM 0 HA GLN B 11 -2.982 -7.706 12.231 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.785 -6.898 12.759 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.708 -8.648 12.724 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.286 -8.541 10.439 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.246 -6.791 10.519 1.00 0.00 H new ATOM 0 HE21 GLN B 11 1.222 -6.040 12.933 1.00 0.00 H new ATOM 0 HE22 GLN B 11 2.868 -6.646 13.148 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.273 -5.427 11.053 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.507 -4.177 10.401 1.00 0.00 C ATOM 1579 C VAL B 12 -1.199 -3.462 10.430 1.00 0.00 C ATOM 1580 O VAL B 12 -0.458 -3.553 11.407 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.546 -3.385 11.138 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.817 -2.025 10.473 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.858 -4.185 11.190 1.00 0.00 C ATOM 0 H VAL B 12 -1.946 -5.298 12.010 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.873 -4.317 9.384 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.166 -3.200 12.143 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.576 -1.487 11.041 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.897 -1.441 10.452 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.170 -2.182 9.454 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.614 -3.610 11.725 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.204 -4.383 10.175 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.688 -5.130 11.706 1.00 0.00 H new ATOM 1593 N SER B 13 -0.820 -2.779 9.335 1.00 0.00 N ATOM 1594 CA SER B 13 0.530 -2.460 8.990 1.00 0.00 C ATOM 1595 C SER B 13 0.750 -1.040 8.599 1.00 0.00 C ATOM 1596 O SER B 13 -0.039 -0.430 7.880 1.00 0.00 O ATOM 1597 CB SER B 13 0.987 -3.311 7.792 1.00 0.00 C ATOM 1598 OG SER B 13 0.694 -4.688 7.983 1.00 0.00 O ATOM 0 H SER B 13 -1.494 -2.430 8.653 1.00 0.00 H new ATOM 0 HA SER B 13 1.098 -2.662 9.898 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.496 -2.957 6.886 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.059 -3.184 7.644 1.00 0.00 H new ATOM 0 HG SER B 13 1.526 -5.206 7.960 1.00 0.00 H new ATOM 1604 N ALA B 14 1.882 -0.452 9.029 1.00 0.00 N ATOM 1605 CA ALA B 14 2.316 0.872 8.706 1.00 0.00 C ATOM 1606 C ALA B 14 3.660 0.880 8.066 1.00 0.00 C ATOM 1607 O ALA B 14 4.427 -0.078 8.158 1.00 0.00 O ATOM 1608 CB ALA B 14 2.343 1.746 9.971 1.00 0.00 C ATOM 0 H ALA B 14 2.537 -0.935 9.644 1.00 0.00 H new ATOM 0 HA ALA B 14 1.602 1.279 7.990 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.675 2.751 9.712 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.343 1.794 10.402 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.030 1.313 10.698 1.00 0.00 H new ATOM 1614 N VAL B 15 3.978 1.949 7.314 1.00 0.00 N ATOM 1615 CA VAL B 15 5.213 2.128 6.616 1.00 0.00 C ATOM 1616 C VAL B 15 5.446 3.617 6.405 1.00 0.00 C ATOM 1617 O VAL B 15 4.482 4.407 6.601 1.00 0.00 O ATOM 1618 CB VAL B 15 5.222 1.354 5.331 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.157 1.892 4.361 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.611 1.321 4.670 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.586 4.039 6.074 1.00 0.00 O ATOM 0 H VAL B 15 3.337 2.732 7.186 1.00 0.00 H new ATOM 0 HA VAL B 15 6.038 1.733 7.209 1.00 0.00 H new ATOM 0 HB VAL B 15 4.973 0.323 5.580 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.182 1.315 3.436 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.171 1.803 4.817 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.362 2.940 4.141 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.560 0.748 3.744 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.933 2.339 4.450 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.325 0.853 5.347 1.00 0.00 H new