USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 792 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 18 ASN : amide:sc= 0.144 K(o=-11,f=-9.8) USER MOD Set 1.2: A 22 ASN : amide:sc= -8.66! C(o=-11!,f=-9.8!) USER MOD Set 1.3: A 81 THR OG1 : rot -62:sc= -2.08 USER MOD Set 2.1: A 61 MET CE :methyl -167:sc= 0 (180deg=-0.196) USER MOD Set 2.2: A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 45 HIS : no HE2:sc= -3.7! C(o=-7.5!,f=-9.2!) USER MOD Set 3.2: A 48 MET CE :methyl -121:sc= -3.76 (180deg=-7.65!) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.267 (180deg=-0.977) USER MOD Single : A 6 ASN : amide:sc= -4.36 K(o=-4.4,f=-17!) USER MOD Single : A 13 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ -115:sc= 0 (180deg=-1.18) USER MOD Single : A 24 HIS : no HD1:sc= -0.0808 K(o=-0.081,f=-0.88) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.3) USER MOD Single : A 31 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.42) USER MOD Single : A 35 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.26) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 38 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc= -1.14 K(o=-1.1,f=-2!) USER MOD Single : A 49 GLN : amide:sc=-0.00389 X(o=-0.0039,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= -1.62 (180deg=-3.49!) USER MOD Single : A 58 GLN : amide:sc= -0.595 K(o=-0.59,f=0) USER MOD Single : A 60 MET CE :methyl -126:sc= -9.95! (180deg=-15.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.4!) USER MOD Single : A 73 ASN : amide:sc= -0.0077 K(o=-0.0077,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= -0.728 X(o=-0.73,f=-0.77) USER MOD Single : A 76 GLN : amide:sc= -0.937 K(o=-0.94,f=-0.24) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 83 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.2) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.41 X(o=-1.4,f=-1) USER MOD Single : A 88 ASN : amide:sc= -8.09! C(o=-8.1!,f=-5.9!) USER MOD Single : A 90 LYS NZ :NH3+ 146:sc= -0.468 (180deg=-1.71!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -1.026 -16.046 5.030 1.00 0.00 N ATOM 42 CA GLY A 3 -1.876 -15.128 5.766 1.00 0.00 C ATOM 43 C GLY A 3 -1.089 -14.163 6.623 1.00 0.00 C ATOM 44 O GLY A 3 -1.483 -13.010 6.793 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.490 -14.565 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.557 -15.698 6.399 1.00 0.00 H new ATOM 48 N LYS A 4 0.026 -14.633 7.164 1.00 0.00 N ATOM 49 CA LYS A 4 0.869 -13.796 8.009 1.00 0.00 C ATOM 50 C LYS A 4 1.442 -12.635 7.225 1.00 0.00 C ATOM 51 O LYS A 4 1.877 -11.642 7.808 1.00 0.00 O ATOM 52 CB LYS A 4 2.000 -14.613 8.630 1.00 0.00 C ATOM 53 CG LYS A 4 2.746 -13.880 9.732 1.00 0.00 C ATOM 54 CD LYS A 4 1.843 -13.597 10.922 1.00 0.00 C ATOM 55 CE LYS A 4 2.618 -13.627 12.229 1.00 0.00 C ATOM 56 NZ LYS A 4 3.284 -14.941 12.451 1.00 0.00 N ATOM 0 H LYS A 4 0.368 -15.585 7.034 1.00 0.00 H new ATOM 0 HA LYS A 4 0.243 -13.400 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.589 -15.538 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.706 -14.893 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.599 -14.477 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.142 -12.942 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.373 -12.621 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.042 -14.335 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.368 -12.836 12.224 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.941 -13.419 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.339 -15.135 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.735 -15.692 11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.244 -14.915 12.052 1.00 0.00 H new ATOM 70 N LEU A 5 1.415 -12.735 5.902 1.00 0.00 N ATOM 71 CA LEU A 5 1.907 -11.653 5.071 1.00 0.00 C ATOM 72 C LEU A 5 1.230 -10.352 5.492 1.00 0.00 C ATOM 73 O LEU A 5 1.755 -9.262 5.267 1.00 0.00 O ATOM 74 CB LEU A 5 1.644 -11.939 3.594 1.00 0.00 C ATOM 75 CG LEU A 5 2.816 -11.619 2.667 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.249 -10.174 2.852 1.00 0.00 C ATOM 77 CD2 LEU A 5 3.983 -12.561 2.934 1.00 0.00 C ATOM 0 H LEU A 5 1.062 -13.544 5.391 1.00 0.00 H new ATOM 0 HA LEU A 5 2.985 -11.562 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.385 -12.992 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.776 -11.362 3.274 1.00 0.00 H new ATOM 0 HG LEU A 5 2.492 -11.759 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.085 -9.957 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.416 -9.512 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.557 -10.016 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.808 -12.317 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.310 -12.451 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.667 -13.590 2.761 1.00 0.00 H new ATOM 89 N ASN A 6 0.060 -10.485 6.123 1.00 0.00 N ATOM 90 CA ASN A 6 -0.687 -9.334 6.594 1.00 0.00 C ATOM 91 C ASN A 6 0.153 -8.488 7.541 1.00 0.00 C ATOM 92 O ASN A 6 0.206 -7.264 7.413 1.00 0.00 O ATOM 93 CB ASN A 6 -1.973 -9.766 7.287 1.00 0.00 C ATOM 94 CG ASN A 6 -1.733 -10.805 8.366 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.619 -11.304 8.526 1.00 0.00 O ATOM 96 ND2 ASN A 6 -2.780 -11.135 9.113 1.00 0.00 N ATOM 0 H ASN A 6 -0.384 -11.383 6.316 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.944 -8.731 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.454 -8.893 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.663 -10.170 6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.679 -11.828 9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.685 -10.696 8.945 1.00 0.00 H new ATOM 103 N ASP A 7 0.818 -9.145 8.489 1.00 0.00 N ATOM 104 CA ASP A 7 1.664 -8.447 9.449 1.00 0.00 C ATOM 105 C ASP A 7 2.605 -7.490 8.724 1.00 0.00 C ATOM 106 O ASP A 7 2.951 -6.427 9.239 1.00 0.00 O ATOM 107 CB ASP A 7 2.472 -9.448 10.277 1.00 0.00 C ATOM 108 CG ASP A 7 3.236 -8.784 11.406 1.00 0.00 C ATOM 109 OD1 ASP A 7 2.721 -7.796 11.972 1.00 0.00 O ATOM 110 OD2 ASP A 7 4.349 -9.252 11.725 1.00 0.00 O ATOM 0 H ASP A 7 0.786 -10.157 8.611 1.00 0.00 H new ATOM 0 HA ASP A 7 1.024 -7.874 10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.799 -10.200 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.173 -9.971 9.626 1.00 0.00 H new ATOM 115 N LEU A 8 2.998 -7.876 7.515 1.00 0.00 N ATOM 116 CA LEU A 8 3.882 -7.060 6.698 1.00 0.00 C ATOM 117 C LEU A 8 3.073 -6.074 5.862 1.00 0.00 C ATOM 118 O LEU A 8 3.566 -5.010 5.489 1.00 0.00 O ATOM 119 CB LEU A 8 4.735 -7.950 5.785 1.00 0.00 C ATOM 120 CG LEU A 8 5.576 -7.212 4.736 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.718 -6.804 3.545 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.261 -5.997 5.348 1.00 0.00 C ATOM 0 H LEU A 8 2.715 -8.754 7.079 1.00 0.00 H new ATOM 0 HA LEU A 8 4.543 -6.498 7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.404 -8.544 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.076 -8.649 5.270 1.00 0.00 H new ATOM 0 HG LEU A 8 6.349 -7.894 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.335 -6.282 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.286 -7.693 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.918 -6.144 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.852 -5.490 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.508 -5.313 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.915 -6.318 6.159 1.00 0.00 H new ATOM 134 N LEU A 9 1.825 -6.436 5.566 1.00 0.00 N ATOM 135 CA LEU A 9 0.956 -5.582 4.773 1.00 0.00 C ATOM 136 C LEU A 9 0.464 -4.394 5.599 1.00 0.00 C ATOM 137 O LEU A 9 0.394 -3.268 5.107 1.00 0.00 O ATOM 138 CB LEU A 9 -0.238 -6.385 4.251 1.00 0.00 C ATOM 139 CG LEU A 9 -0.336 -6.486 2.729 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.511 -7.365 2.332 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.464 -5.101 2.109 1.00 0.00 C ATOM 0 H LEU A 9 1.399 -7.313 5.865 1.00 0.00 H new ATOM 0 HA LEU A 9 1.529 -5.202 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.187 -7.392 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.154 -5.932 4.629 1.00 0.00 H new ATOM 0 HG LEU A 9 0.578 -6.944 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.568 -7.427 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.374 -8.364 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.434 -6.935 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.533 -5.193 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.362 -4.614 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.410 -4.504 2.368 1.00 0.00 H new ATOM 153 N GLU A 10 0.122 -4.659 6.857 1.00 0.00 N ATOM 154 CA GLU A 10 -0.371 -3.621 7.760 1.00 0.00 C ATOM 155 C GLU A 10 0.533 -2.390 7.750 1.00 0.00 C ATOM 156 O GLU A 10 0.053 -1.257 7.746 1.00 0.00 O ATOM 157 CB GLU A 10 -0.481 -4.171 9.183 1.00 0.00 C ATOM 158 CG GLU A 10 -1.387 -3.347 10.085 1.00 0.00 C ATOM 159 CD GLU A 10 -2.631 -4.103 10.512 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.510 -5.295 10.864 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.726 -3.502 10.495 1.00 0.00 O ATOM 0 H GLU A 10 0.177 -5.587 7.276 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.357 -3.318 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.857 -5.193 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.515 -4.215 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.830 -3.041 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.681 -2.436 9.563 1.00 0.00 H new ATOM 168 N ASP A 11 1.843 -2.619 7.750 1.00 0.00 N ATOM 169 CA ASP A 11 2.813 -1.527 7.744 1.00 0.00 C ATOM 170 C ASP A 11 2.499 -0.518 6.642 1.00 0.00 C ATOM 171 O ASP A 11 2.576 0.691 6.853 1.00 0.00 O ATOM 172 CB ASP A 11 4.228 -2.076 7.558 1.00 0.00 C ATOM 173 CG ASP A 11 5.264 -1.274 8.321 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.648 -0.188 7.839 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.693 -1.732 9.401 1.00 0.00 O ATOM 0 H ASP A 11 2.258 -3.551 7.754 1.00 0.00 H new ATOM 0 HA ASP A 11 2.749 -1.017 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.259 -3.114 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.479 -2.073 6.497 1.00 0.00 H new ATOM 180 N LEU A 12 2.143 -1.028 5.468 1.00 0.00 N ATOM 181 CA LEU A 12 1.815 -0.184 4.328 1.00 0.00 C ATOM 182 C LEU A 12 0.643 0.731 4.656 1.00 0.00 C ATOM 183 O LEU A 12 0.774 1.953 4.654 1.00 0.00 O ATOM 184 CB LEU A 12 1.506 -1.059 3.096 1.00 0.00 C ATOM 185 CG LEU A 12 0.230 -0.713 2.304 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.484 -0.812 0.806 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.918 -1.631 2.708 1.00 0.00 C ATOM 0 H LEU A 12 2.074 -2.029 5.282 1.00 0.00 H new ATOM 0 HA LEU A 12 2.674 0.446 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.355 -1.000 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.432 -2.096 3.425 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.048 0.314 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.429 -0.564 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.273 -0.115 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.790 -1.828 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.810 -1.371 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.645 -2.666 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.121 -1.513 3.772 1.00 0.00 H new ATOM 199 N GLN A 13 -0.505 0.134 4.935 1.00 0.00 N ATOM 200 CA GLN A 13 -1.700 0.905 5.250 1.00 0.00 C ATOM 201 C GLN A 13 -1.415 1.933 6.341 1.00 0.00 C ATOM 202 O GLN A 13 -1.951 3.040 6.320 1.00 0.00 O ATOM 203 CB GLN A 13 -2.838 -0.022 5.681 1.00 0.00 C ATOM 204 CG GLN A 13 -4.177 0.684 5.824 1.00 0.00 C ATOM 205 CD GLN A 13 -5.047 0.068 6.903 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.755 -0.910 6.661 1.00 0.00 O ATOM 207 NE2 GLN A 13 -4.998 0.638 8.101 1.00 0.00 N ATOM 0 H GLN A 13 -0.636 -0.877 4.950 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.004 1.438 4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.937 -0.826 4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.577 -0.485 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.007 1.735 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.706 0.649 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.397 1.447 8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.562 0.267 8.866 1.00 0.00 H new ATOM 216 N GLU A 14 -0.555 1.564 7.284 1.00 0.00 N ATOM 217 CA GLU A 14 -0.186 2.463 8.370 1.00 0.00 C ATOM 218 C GLU A 14 0.810 3.496 7.872 1.00 0.00 C ATOM 219 O GLU A 14 0.831 4.633 8.344 1.00 0.00 O ATOM 220 CB GLU A 14 0.408 1.676 9.542 1.00 0.00 C ATOM 221 CG GLU A 14 -0.470 0.528 10.010 1.00 0.00 C ATOM 222 CD GLU A 14 -1.326 0.899 11.205 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.875 1.726 12.025 1.00 0.00 O ATOM 224 OE2 GLU A 14 -2.449 0.363 11.321 1.00 0.00 O ATOM 0 H GLU A 14 -0.102 0.651 7.318 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.083 2.974 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.381 1.282 9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.578 2.356 10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.115 0.211 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.159 -0.324 10.269 1.00 0.00 H new ATOM 231 N VAL A 15 1.621 3.099 6.900 1.00 0.00 N ATOM 232 CA VAL A 15 2.602 3.999 6.325 1.00 0.00 C ATOM 233 C VAL A 15 1.897 5.161 5.638 1.00 0.00 C ATOM 234 O VAL A 15 2.401 6.284 5.610 1.00 0.00 O ATOM 235 CB VAL A 15 3.537 3.259 5.334 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.026 3.292 3.893 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.940 3.828 5.421 1.00 0.00 C ATOM 0 H VAL A 15 1.616 2.162 6.497 1.00 0.00 H new ATOM 0 HA VAL A 15 3.225 4.388 7.131 1.00 0.00 H new ATOM 0 HB VAL A 15 3.551 2.210 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.723 2.758 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.047 2.815 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.943 4.327 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.590 3.302 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.919 4.888 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.321 3.703 6.434 1.00 0.00 H new ATOM 247 N LEU A 16 0.718 4.876 5.090 1.00 0.00 N ATOM 248 CA LEU A 16 -0.071 5.888 4.410 1.00 0.00 C ATOM 249 C LEU A 16 -0.407 7.030 5.364 1.00 0.00 C ATOM 250 O LEU A 16 -0.427 8.194 4.969 1.00 0.00 O ATOM 251 CB LEU A 16 -1.352 5.275 3.844 1.00 0.00 C ATOM 252 CG LEU A 16 -1.198 4.560 2.496 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.503 5.456 1.487 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.430 3.261 2.666 1.00 0.00 C ATOM 0 H LEU A 16 0.291 3.950 5.106 1.00 0.00 H new ATOM 0 HA LEU A 16 0.517 6.287 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.746 4.564 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.095 6.065 3.735 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.194 4.328 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.405 4.928 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.091 6.362 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.487 5.723 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.331 2.768 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.560 3.474 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.968 2.608 3.353 1.00 0.00 H new ATOM 266 N LYS A 17 -0.656 6.689 6.630 1.00 0.00 N ATOM 267 CA LYS A 17 -0.979 7.690 7.649 1.00 0.00 C ATOM 268 C LYS A 17 -0.061 8.899 7.512 1.00 0.00 C ATOM 269 O LYS A 17 -0.505 10.045 7.587 1.00 0.00 O ATOM 270 CB LYS A 17 -0.848 7.087 9.049 1.00 0.00 C ATOM 271 CG LYS A 17 -1.212 8.053 10.164 1.00 0.00 C ATOM 272 CD LYS A 17 -0.538 7.674 11.473 1.00 0.00 C ATOM 273 CE LYS A 17 0.977 7.742 11.360 1.00 0.00 C ATOM 274 NZ LYS A 17 1.599 8.332 12.579 1.00 0.00 N ATOM 0 H LYS A 17 -0.640 5.729 6.974 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.010 8.013 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.488 6.208 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.177 6.747 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.918 9.064 9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.293 8.062 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.875 8.344 12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.838 6.666 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.374 6.740 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.250 8.337 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.632 8.361 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.239 9.298 12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.360 7.750 13.407 1.00 0.00 H new ATOM 288 N ASN A 18 1.219 8.627 7.283 1.00 0.00 N ATOM 289 CA ASN A 18 2.205 9.688 7.102 1.00 0.00 C ATOM 290 C ASN A 18 1.968 10.387 5.771 1.00 0.00 C ATOM 291 O ASN A 18 1.984 11.615 5.680 1.00 0.00 O ATOM 292 CB ASN A 18 3.624 9.111 7.133 1.00 0.00 C ATOM 293 CG ASN A 18 4.495 9.777 8.180 1.00 0.00 C ATOM 294 OD1 ASN A 18 5.624 10.180 7.899 1.00 0.00 O ATOM 295 ND2 ASN A 18 3.974 9.894 9.396 1.00 0.00 N ATOM 0 H ASN A 18 1.599 7.682 7.218 1.00 0.00 H new ATOM 0 HA ASN A 18 2.099 10.406 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.574 8.041 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.084 9.231 6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.514 10.332 10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.034 9.546 9.584 1.00 0.00 H new ATOM 302 N LEU A 19 1.745 9.579 4.743 1.00 0.00 N ATOM 303 CA LEU A 19 1.499 10.069 3.394 1.00 0.00 C ATOM 304 C LEU A 19 0.451 11.186 3.387 1.00 0.00 C ATOM 305 O LEU A 19 0.597 12.181 2.677 1.00 0.00 O ATOM 306 CB LEU A 19 1.070 8.886 2.511 1.00 0.00 C ATOM 307 CG LEU A 19 -0.130 9.110 1.584 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.014 8.272 0.325 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.425 8.767 2.294 1.00 0.00 C ATOM 0 H LEU A 19 1.730 8.562 4.822 1.00 0.00 H new ATOM 0 HA LEU A 19 2.415 10.503 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.922 8.594 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.842 8.042 3.162 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.157 10.163 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.845 8.441 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.927 8.556 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.064 7.217 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.265 8.933 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.406 7.721 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.536 9.400 3.174 1.00 0.00 H new ATOM 321 N HIS A 20 -0.600 11.012 4.179 1.00 0.00 N ATOM 322 CA HIS A 20 -1.676 11.998 4.262 1.00 0.00 C ATOM 323 C HIS A 20 -1.142 13.404 4.534 1.00 0.00 C ATOM 324 O HIS A 20 -1.709 14.392 4.069 1.00 0.00 O ATOM 325 CB HIS A 20 -2.654 11.621 5.381 1.00 0.00 C ATOM 326 CG HIS A 20 -3.590 10.498 5.052 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.897 10.700 4.667 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.416 9.156 5.097 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.489 9.532 4.493 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.612 8.579 4.746 1.00 0.00 N ATOM 0 H HIS A 20 -0.732 10.195 4.776 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.183 11.999 3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.081 11.349 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.243 12.501 5.640 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.507 8.636 5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.516 9.382 4.194 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.793 7.577 4.690 1.00 0.00 H new ATOM 339 N LYS A 21 -0.075 13.491 5.321 1.00 0.00 N ATOM 340 CA LYS A 21 0.500 14.783 5.690 1.00 0.00 C ATOM 341 C LYS A 21 1.610 15.235 4.746 1.00 0.00 C ATOM 342 O LYS A 21 2.212 16.287 4.962 1.00 0.00 O ATOM 343 CB LYS A 21 1.042 14.718 7.117 1.00 0.00 C ATOM 344 CG LYS A 21 0.130 13.974 8.072 1.00 0.00 C ATOM 345 CD LYS A 21 -1.190 14.707 8.261 1.00 0.00 C ATOM 346 CE LYS A 21 -2.194 14.347 7.175 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.596 14.402 7.673 1.00 0.00 N ATOM 0 H LYS A 21 0.410 12.685 5.716 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.302 15.517 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.018 14.233 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.194 15.732 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.060 12.971 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.626 13.859 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.606 14.461 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.014 15.783 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.080 15.032 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.981 13.346 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.010 13.448 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.604 14.761 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.155 15.036 7.067 1.00 0.00 H new ATOM 361 N ASN A 22 1.895 14.455 3.712 1.00 0.00 N ATOM 362 CA ASN A 22 2.953 14.825 2.778 1.00 0.00 C ATOM 363 C ASN A 22 2.600 14.477 1.335 1.00 0.00 C ATOM 364 O ASN A 22 3.455 14.547 0.454 1.00 0.00 O ATOM 365 CB ASN A 22 4.264 14.145 3.173 1.00 0.00 C ATOM 366 CG ASN A 22 4.637 14.408 4.619 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.581 15.145 4.904 1.00 0.00 O ATOM 368 ND2 ASN A 22 3.897 13.804 5.541 1.00 0.00 N ATOM 0 H ASN A 22 1.419 13.578 3.500 1.00 0.00 H new ATOM 0 HA ASN A 22 3.069 15.907 2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.176 13.070 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.064 14.499 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.102 13.943 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.124 13.201 5.260 1.00 0.00 H new ATOM 375 N TRP A 23 1.346 14.107 1.085 1.00 0.00 N ATOM 376 CA TRP A 23 0.931 13.765 -0.268 1.00 0.00 C ATOM 377 C TRP A 23 0.620 15.023 -1.074 1.00 0.00 C ATOM 378 O TRP A 23 0.912 15.089 -2.266 1.00 0.00 O ATOM 379 CB TRP A 23 -0.270 12.809 -0.235 1.00 0.00 C ATOM 380 CG TRP A 23 -1.588 13.456 -0.502 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.591 13.654 0.384 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.047 13.957 -1.747 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.646 14.279 -0.222 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.337 14.474 -1.544 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.482 14.024 -3.011 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.073 15.053 -2.576 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.202 14.590 -4.030 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.490 15.101 -3.814 1.00 0.00 C ATOM 0 H TRP A 23 0.612 14.038 1.790 1.00 0.00 H new ATOM 0 HA TRP A 23 1.755 13.252 -0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.111 12.022 -0.972 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.308 12.328 0.742 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.563 13.360 1.423 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.517 14.554 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.490 13.636 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.064 15.448 -2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.770 14.644 -5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.032 15.540 -4.639 1.00 0.00 H new ATOM 399 N HIS A 24 0.036 16.018 -0.415 1.00 0.00 N ATOM 400 CA HIS A 24 -0.305 17.276 -1.072 1.00 0.00 C ATOM 401 C HIS A 24 -0.961 18.236 -0.088 1.00 0.00 C ATOM 402 O HIS A 24 -0.540 19.385 0.050 1.00 0.00 O ATOM 403 CB HIS A 24 -1.239 17.030 -2.258 1.00 0.00 C ATOM 404 CG HIS A 24 -1.627 18.280 -2.987 1.00 0.00 C ATOM 405 ND1 HIS A 24 -0.745 19.009 -3.757 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.813 18.930 -3.059 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.372 20.053 -4.272 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.627 20.028 -3.864 1.00 0.00 N ATOM 0 H HIS A 24 -0.211 15.978 0.574 1.00 0.00 H new ATOM 0 HA HIS A 24 0.618 17.725 -1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.754 16.348 -2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.141 16.533 -1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.733 18.640 -2.574 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.932 20.799 -4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.343 20.713 -4.107 1.00 0.00 H new ATOM 417 N GLY A 25 -1.995 17.758 0.596 1.00 0.00 N ATOM 418 CA GLY A 25 -2.689 18.590 1.559 1.00 0.00 C ATOM 419 C GLY A 25 -4.123 18.165 1.784 1.00 0.00 C ATOM 420 O GLY A 25 -4.775 17.636 0.883 1.00 0.00 O ATOM 0 H GLY A 25 -2.363 16.812 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.154 18.560 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.672 19.624 1.216 1.00 0.00 H new ATOM 424 N GLY A 26 -4.616 18.403 2.994 1.00 0.00 N ATOM 425 CA GLY A 26 -5.979 18.046 3.328 1.00 0.00 C ATOM 426 C GLY A 26 -6.262 16.574 3.117 1.00 0.00 C ATOM 427 O GLY A 26 -6.436 16.124 1.984 1.00 0.00 O ATOM 0 H GLY A 26 -4.092 18.839 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.174 18.304 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.665 18.635 2.719 1.00 0.00 H new ATOM 431 N LYS A 27 -6.313 15.820 4.211 1.00 0.00 N ATOM 432 CA LYS A 27 -6.585 14.390 4.138 1.00 0.00 C ATOM 433 C LYS A 27 -7.879 14.125 3.370 1.00 0.00 C ATOM 434 O LYS A 27 -8.079 13.038 2.831 1.00 0.00 O ATOM 435 CB LYS A 27 -6.666 13.792 5.548 1.00 0.00 C ATOM 436 CG LYS A 27 -7.382 12.450 5.612 1.00 0.00 C ATOM 437 CD LYS A 27 -6.819 11.571 6.718 1.00 0.00 C ATOM 438 CE LYS A 27 -7.587 11.748 8.018 1.00 0.00 C ATOM 439 NZ LYS A 27 -7.996 10.442 8.605 1.00 0.00 N ATOM 0 H LYS A 27 -6.170 16.175 5.156 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.766 13.910 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.656 13.672 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.179 14.497 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.447 12.612 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.285 11.939 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.860 10.526 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.769 11.815 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.969 12.290 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.472 12.357 7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.517 10.607 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.607 9.935 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.150 9.870 8.803 1.00 0.00 H new ATOM 453 N ASP A 28 -8.754 15.128 3.321 1.00 0.00 N ATOM 454 CA ASP A 28 -10.022 15.001 2.614 1.00 0.00 C ATOM 455 C ASP A 28 -9.804 14.479 1.197 1.00 0.00 C ATOM 456 O ASP A 28 -10.639 13.751 0.660 1.00 0.00 O ATOM 457 CB ASP A 28 -10.745 16.349 2.571 1.00 0.00 C ATOM 458 CG ASP A 28 -11.773 16.489 3.677 1.00 0.00 C ATOM 459 OD1 ASP A 28 -12.926 16.055 3.474 1.00 0.00 O ATOM 460 OD2 ASP A 28 -11.424 17.033 4.746 1.00 0.00 O ATOM 0 H ASP A 28 -8.606 16.035 3.763 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.641 14.284 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.014 17.153 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.237 16.464 1.605 1.00 0.00 H new ATOM 465 N ASN A 29 -8.675 14.849 0.599 1.00 0.00 N ATOM 466 CA ASN A 29 -8.355 14.405 -0.752 1.00 0.00 C ATOM 467 C ASN A 29 -7.683 13.039 -0.718 1.00 0.00 C ATOM 468 O ASN A 29 -8.066 12.132 -1.457 1.00 0.00 O ATOM 469 CB ASN A 29 -7.452 15.422 -1.449 1.00 0.00 C ATOM 470 CG ASN A 29 -7.478 15.276 -2.958 1.00 0.00 C ATOM 471 OD1 ASN A 29 -7.135 14.224 -3.499 1.00 0.00 O ATOM 472 ND2 ASN A 29 -7.885 16.335 -3.648 1.00 0.00 N ATOM 0 H ASN A 29 -7.971 15.451 1.026 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.284 14.322 -1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.767 16.430 -1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.429 15.301 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.922 16.296 -4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.160 17.187 -3.159 1.00 0.00 H new ATOM 479 N LEU A 30 -6.691 12.887 0.155 1.00 0.00 N ATOM 480 CA LEU A 30 -5.993 11.615 0.287 1.00 0.00 C ATOM 481 C LEU A 30 -6.979 10.525 0.676 1.00 0.00 C ATOM 482 O LEU A 30 -6.798 9.360 0.331 1.00 0.00 O ATOM 483 CB LEU A 30 -4.886 11.712 1.340 1.00 0.00 C ATOM 484 CG LEU A 30 -3.819 10.605 1.297 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.405 9.284 1.764 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.214 10.453 -0.096 1.00 0.00 C ATOM 0 H LEU A 30 -6.356 13.623 0.776 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.538 11.368 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.388 12.675 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.349 11.706 2.327 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.017 10.898 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.637 8.512 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.767 9.388 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.233 9.003 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.465 9.661 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.999 10.198 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.745 11.391 -0.393 1.00 0.00 H new ATOM 498 N HIS A 31 -8.030 10.916 1.394 1.00 0.00 N ATOM 499 CA HIS A 31 -9.056 9.976 1.830 1.00 0.00 C ATOM 500 C HIS A 31 -9.468 9.060 0.685 1.00 0.00 C ATOM 501 O HIS A 31 -9.380 7.840 0.795 1.00 0.00 O ATOM 502 CB HIS A 31 -10.276 10.730 2.362 1.00 0.00 C ATOM 503 CG HIS A 31 -10.897 10.093 3.566 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.612 8.805 3.967 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.791 10.575 4.462 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.306 8.521 5.055 1.00 0.00 C ATOM 507 NE2 HIS A 31 -12.028 9.578 5.376 1.00 0.00 N ATOM 0 H HIS A 31 -8.192 11.880 1.686 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.641 9.365 2.631 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.982 11.749 2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.023 10.798 1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.235 11.560 4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.286 7.583 5.590 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.660 9.644 6.174 1.00 0.00 H new ATOM 516 N ASP A 32 -9.904 9.657 -0.418 1.00 0.00 N ATOM 517 CA ASP A 32 -10.316 8.887 -1.585 1.00 0.00 C ATOM 518 C ASP A 32 -9.151 8.071 -2.139 1.00 0.00 C ATOM 519 O ASP A 32 -9.351 7.095 -2.863 1.00 0.00 O ATOM 520 CB ASP A 32 -10.871 9.818 -2.667 1.00 0.00 C ATOM 521 CG ASP A 32 -12.382 9.752 -2.767 1.00 0.00 C ATOM 522 OD1 ASP A 32 -13.051 9.847 -1.717 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.896 9.603 -3.896 1.00 0.00 O ATOM 0 H ASP A 32 -9.981 10.668 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.101 8.196 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.568 10.843 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.434 9.553 -3.630 1.00 0.00 H new ATOM 528 N VAL A 33 -7.935 8.478 -1.792 1.00 0.00 N ATOM 529 CA VAL A 33 -6.736 7.792 -2.248 1.00 0.00 C ATOM 530 C VAL A 33 -6.373 6.650 -1.302 1.00 0.00 C ATOM 531 O VAL A 33 -6.390 5.486 -1.699 1.00 0.00 O ATOM 532 CB VAL A 33 -5.567 8.793 -2.396 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.227 8.201 -1.994 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.498 9.283 -3.822 1.00 0.00 C ATOM 0 H VAL A 33 -7.755 9.284 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.934 7.358 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.767 9.622 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.446 8.951 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.266 7.888 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.007 7.339 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.674 9.989 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.337 8.437 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.434 9.778 -4.082 1.00 0.00 H new ATOM 544 N ASP A 34 -6.065 6.973 -0.050 1.00 0.00 N ATOM 545 CA ASP A 34 -5.730 5.942 0.921 1.00 0.00 C ATOM 546 C ASP A 34 -6.917 4.998 1.097 1.00 0.00 C ATOM 547 O ASP A 34 -6.742 3.831 1.448 1.00 0.00 O ATOM 548 CB ASP A 34 -5.303 6.558 2.261 1.00 0.00 C ATOM 549 CG ASP A 34 -5.444 5.599 3.430 1.00 0.00 C ATOM 550 OD1 ASP A 34 -6.537 5.554 4.034 1.00 0.00 O ATOM 551 OD2 ASP A 34 -4.460 4.895 3.742 1.00 0.00 O ATOM 0 H ASP A 34 -6.041 7.927 0.311 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.881 5.370 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.265 6.884 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.904 7.447 2.453 1.00 0.00 H new ATOM 556 N ASN A 35 -8.127 5.495 0.813 1.00 0.00 N ATOM 557 CA ASN A 35 -9.319 4.661 0.906 1.00 0.00 C ATOM 558 C ASN A 35 -9.147 3.475 -0.026 1.00 0.00 C ATOM 559 O ASN A 35 -9.477 2.340 0.316 1.00 0.00 O ATOM 560 CB ASN A 35 -10.578 5.454 0.538 1.00 0.00 C ATOM 561 CG ASN A 35 -11.817 4.581 0.463 1.00 0.00 C ATOM 562 OD1 ASN A 35 -12.632 4.559 1.386 1.00 0.00 O ATOM 563 ND2 ASN A 35 -11.962 3.855 -0.639 1.00 0.00 N ATOM 0 H ASN A 35 -8.300 6.457 0.521 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.442 4.316 1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.736 6.240 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.425 5.945 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.774 3.247 -0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.261 3.905 -1.378 1.00 0.00 H new ATOM 570 N HIS A 36 -8.578 3.751 -1.197 1.00 0.00 N ATOM 571 CA HIS A 36 -8.300 2.712 -2.172 1.00 0.00 C ATOM 572 C HIS A 36 -7.326 1.727 -1.553 1.00 0.00 C ATOM 573 O HIS A 36 -7.568 0.521 -1.528 1.00 0.00 O ATOM 574 CB HIS A 36 -7.709 3.318 -3.448 1.00 0.00 C ATOM 575 CG HIS A 36 -8.663 3.333 -4.601 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.458 2.614 -5.760 1.00 0.00 N ATOM 577 CD2 HIS A 36 -9.839 3.984 -4.769 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.464 2.824 -6.591 1.00 0.00 C ATOM 579 NE2 HIS A 36 -10.315 3.651 -6.013 1.00 0.00 N ATOM 0 H HIS A 36 -8.302 4.688 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.224 2.201 -2.444 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.387 4.338 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.820 2.754 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.314 4.643 -4.057 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.571 2.393 -7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.185 3.988 -6.424 1.00 0.00 H new ATOM 588 N LEU A 37 -6.230 2.264 -1.021 1.00 0.00 N ATOM 589 CA LEU A 37 -5.217 1.441 -0.364 1.00 0.00 C ATOM 590 C LEU A 37 -5.842 0.571 0.726 1.00 0.00 C ATOM 591 O LEU A 37 -5.887 -0.653 0.610 1.00 0.00 O ATOM 592 CB LEU A 37 -4.138 2.327 0.264 1.00 0.00 C ATOM 593 CG LEU A 37 -2.802 1.641 0.573 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.972 0.142 0.787 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.805 1.907 -0.542 1.00 0.00 C ATOM 0 H LEU A 37 -6.021 3.262 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.770 0.797 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.947 3.164 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.532 2.745 1.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.420 2.063 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.003 -0.307 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.647 -0.032 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.388 -0.309 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.860 1.415 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.197 1.517 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.641 2.981 -0.635 1.00 0.00 H new ATOM 607 N GLN A 38 -6.308 1.218 1.792 1.00 0.00 N ATOM 608 CA GLN A 38 -6.918 0.523 2.923 1.00 0.00 C ATOM 609 C GLN A 38 -7.934 -0.518 2.465 1.00 0.00 C ATOM 610 O GLN A 38 -8.011 -1.610 3.025 1.00 0.00 O ATOM 611 CB GLN A 38 -7.592 1.527 3.859 1.00 0.00 C ATOM 612 CG GLN A 38 -8.076 0.914 5.163 1.00 0.00 C ATOM 613 CD GLN A 38 -9.572 0.665 5.170 1.00 0.00 C ATOM 614 OE1 GLN A 38 -10.311 1.231 4.366 1.00 0.00 O ATOM 615 NE2 GLN A 38 -10.025 -0.185 6.084 1.00 0.00 N ATOM 0 H GLN A 38 -6.274 2.232 1.896 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.122 0.004 3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.890 2.330 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.439 1.979 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.554 -0.027 5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.818 1.576 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.376 -0.632 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.022 -0.391 6.139 1.00 0.00 H new ATOM 624 N ASN A 39 -8.714 -0.176 1.447 1.00 0.00 N ATOM 625 CA ASN A 39 -9.722 -1.092 0.926 1.00 0.00 C ATOM 626 C ASN A 39 -9.071 -2.279 0.228 1.00 0.00 C ATOM 627 O ASN A 39 -9.675 -3.344 0.103 1.00 0.00 O ATOM 628 CB ASN A 39 -10.660 -0.365 -0.039 1.00 0.00 C ATOM 629 CG ASN A 39 -11.967 -1.105 -0.244 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.013 -2.334 -0.189 1.00 0.00 O ATOM 631 ND2 ASN A 39 -13.039 -0.359 -0.482 1.00 0.00 N ATOM 0 H ASN A 39 -8.669 0.723 0.968 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.304 -1.465 1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.868 0.634 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.162 -0.240 -1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.946 -0.802 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.955 0.657 -0.519 1.00 0.00 H new ATOM 638 N VAL A 40 -7.834 -2.097 -0.217 1.00 0.00 N ATOM 639 CA VAL A 40 -7.105 -3.162 -0.889 1.00 0.00 C ATOM 640 C VAL A 40 -6.559 -4.158 0.127 1.00 0.00 C ATOM 641 O VAL A 40 -6.559 -5.365 -0.112 1.00 0.00 O ATOM 642 CB VAL A 40 -5.940 -2.605 -1.728 1.00 0.00 C ATOM 643 CG1 VAL A 40 -5.185 -3.730 -2.415 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.449 -1.597 -2.750 1.00 0.00 C ATOM 0 H VAL A 40 -7.316 -1.223 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.806 -3.665 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.251 -2.094 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.366 -3.313 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.783 -4.410 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.863 -4.275 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.611 -1.215 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.163 -2.083 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.938 -0.771 -2.234 1.00 0.00 H new ATOM 654 N ILE A 41 -6.090 -3.641 1.262 1.00 0.00 N ATOM 655 CA ILE A 41 -5.535 -4.484 2.316 1.00 0.00 C ATOM 656 C ILE A 41 -6.454 -5.665 2.628 1.00 0.00 C ATOM 657 O ILE A 41 -5.987 -6.762 2.933 1.00 0.00 O ATOM 658 CB ILE A 41 -5.260 -3.671 3.604 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.153 -4.339 4.420 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.523 -3.513 4.443 1.00 0.00 C ATOM 661 CD1 ILE A 41 -2.776 -3.773 4.145 1.00 0.00 C ATOM 0 H ILE A 41 -6.084 -2.643 1.474 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.587 -4.874 1.946 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.932 -2.673 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.377 -4.229 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.148 -5.407 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.294 -2.937 5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.283 -2.992 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.896 -4.497 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.040 -4.293 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.531 -3.907 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.764 -2.710 4.388 1.00 0.00 H new ATOM 673 N GLU A 42 -7.762 -5.438 2.533 1.00 0.00 N ATOM 674 CA GLU A 42 -8.734 -6.493 2.790 1.00 0.00 C ATOM 675 C GLU A 42 -8.781 -7.451 1.612 1.00 0.00 C ATOM 676 O GLU A 42 -8.905 -8.663 1.786 1.00 0.00 O ATOM 677 CB GLU A 42 -10.121 -5.892 3.066 1.00 0.00 C ATOM 678 CG GLU A 42 -10.990 -5.727 1.828 1.00 0.00 C ATOM 679 CD GLU A 42 -12.305 -5.033 2.128 1.00 0.00 C ATOM 680 OE1 GLU A 42 -13.238 -5.711 2.607 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.400 -3.812 1.884 1.00 0.00 O ATOM 0 H GLU A 42 -8.170 -4.538 2.281 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.428 -7.049 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.644 -6.528 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.994 -4.918 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.444 -5.154 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.191 -6.707 1.396 1.00 0.00 H new ATOM 688 N ASP A 43 -8.654 -6.900 0.412 1.00 0.00 N ATOM 689 CA ASP A 43 -8.656 -7.711 -0.790 1.00 0.00 C ATOM 690 C ASP A 43 -7.469 -8.662 -0.767 1.00 0.00 C ATOM 691 O ASP A 43 -7.540 -9.766 -1.299 1.00 0.00 O ATOM 692 CB ASP A 43 -8.605 -6.828 -2.037 1.00 0.00 C ATOM 693 CG ASP A 43 -9.986 -6.517 -2.582 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.660 -5.630 -2.018 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.391 -7.161 -3.572 1.00 0.00 O ATOM 0 H ASP A 43 -8.549 -5.899 0.249 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.579 -8.290 -0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.093 -5.896 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.017 -7.326 -2.808 1.00 0.00 H new ATOM 700 N ILE A 44 -6.384 -8.228 -0.129 1.00 0.00 N ATOM 701 CA ILE A 44 -5.183 -9.052 -0.018 1.00 0.00 C ATOM 702 C ILE A 44 -5.271 -9.966 1.198 1.00 0.00 C ATOM 703 O ILE A 44 -4.795 -11.100 1.170 1.00 0.00 O ATOM 704 CB ILE A 44 -3.887 -8.210 0.088 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.144 -6.742 -0.275 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.808 -8.804 -0.805 1.00 0.00 C ATOM 707 CD1 ILE A 44 -2.880 -5.935 -0.496 1.00 0.00 C ATOM 0 H ILE A 44 -6.312 -7.314 0.317 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.133 -9.641 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.545 -8.237 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.752 -6.702 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.726 -6.277 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.900 -8.206 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.598 -9.827 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.152 -8.805 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.144 -4.908 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.280 -5.942 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.306 -6.374 -1.312 1.00 0.00 H new ATOM 719 N HIS A 45 -5.883 -9.465 2.264 1.00 0.00 N ATOM 720 CA HIS A 45 -6.034 -10.235 3.491 1.00 0.00 C ATOM 721 C HIS A 45 -7.025 -11.368 3.296 1.00 0.00 C ATOM 722 O HIS A 45 -6.795 -12.493 3.741 1.00 0.00 O ATOM 723 CB HIS A 45 -6.479 -9.327 4.633 1.00 0.00 C ATOM 724 CG HIS A 45 -5.380 -8.444 5.116 1.00 0.00 C ATOM 725 ND1 HIS A 45 -5.397 -7.802 6.335 1.00 0.00 N ATOM 726 CD2 HIS A 45 -4.211 -8.109 4.530 1.00 0.00 C ATOM 727 CE1 HIS A 45 -4.281 -7.108 6.478 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.544 -7.278 5.395 1.00 0.00 N ATOM 0 H HIS A 45 -6.283 -8.528 2.303 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.067 -10.669 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.316 -8.713 4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.841 -9.938 5.460 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.152 -7.854 7.019 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.865 -8.435 3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.017 -6.505 7.334 1.00 0.00 H new ATOM 737 N ASP A 46 -8.120 -11.073 2.612 1.00 0.00 N ATOM 738 CA ASP A 46 -9.130 -12.080 2.341 1.00 0.00 C ATOM 739 C ASP A 46 -8.668 -12.990 1.211 1.00 0.00 C ATOM 740 O ASP A 46 -9.145 -14.117 1.074 1.00 0.00 O ATOM 741 CB ASP A 46 -10.461 -11.418 1.978 1.00 0.00 C ATOM 742 CG ASP A 46 -11.635 -12.039 2.710 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.474 -12.391 3.898 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.714 -12.173 2.097 1.00 0.00 O ATOM 0 H ASP A 46 -8.330 -10.148 2.237 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.277 -12.679 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.411 -10.355 2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.623 -11.499 0.903 1.00 0.00 H new ATOM 749 N PHE A 47 -7.734 -12.494 0.398 1.00 0.00 N ATOM 750 CA PHE A 47 -7.215 -13.277 -0.723 1.00 0.00 C ATOM 751 C PHE A 47 -6.022 -14.138 -0.315 1.00 0.00 C ATOM 752 O PHE A 47 -5.945 -15.312 -0.676 1.00 0.00 O ATOM 753 CB PHE A 47 -6.832 -12.368 -1.889 1.00 0.00 C ATOM 754 CG PHE A 47 -7.998 -12.015 -2.772 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.229 -11.692 -2.222 1.00 0.00 C ATOM 756 CD2 PHE A 47 -7.863 -12.011 -4.150 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.303 -11.373 -3.031 1.00 0.00 C ATOM 758 CE2 PHE A 47 -8.934 -11.691 -4.965 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.155 -11.373 -4.404 1.00 0.00 C ATOM 0 H PHE A 47 -7.326 -11.564 0.493 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.014 -13.946 -1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.390 -11.452 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.066 -12.860 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.350 -11.690 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.911 -12.261 -4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.257 -11.124 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.815 -11.690 -6.038 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.993 -11.125 -5.038 1.00 0.00 H new ATOM 769 N MET A 48 -5.088 -13.550 0.428 1.00 0.00 N ATOM 770 CA MET A 48 -3.895 -14.270 0.870 1.00 0.00 C ATOM 771 C MET A 48 -4.255 -15.611 1.509 1.00 0.00 C ATOM 772 O MET A 48 -3.442 -16.536 1.531 1.00 0.00 O ATOM 773 CB MET A 48 -3.087 -13.416 1.854 1.00 0.00 C ATOM 774 CG MET A 48 -3.692 -13.342 3.247 1.00 0.00 C ATOM 775 SD MET A 48 -2.915 -12.081 4.276 1.00 0.00 S ATOM 776 CE MET A 48 -4.080 -11.992 5.634 1.00 0.00 C ATOM 0 H MET A 48 -5.133 -12.579 0.737 1.00 0.00 H new ATOM 0 HA MET A 48 -3.285 -14.470 -0.011 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.078 -13.821 1.928 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.996 -12.406 1.454 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.758 -13.132 3.165 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.595 -14.313 3.733 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.469 -10.977 5.714 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.903 -12.683 5.453 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.577 -12.262 6.563 1.00 0.00 H new ATOM 786 N GLN A 49 -5.476 -15.712 2.030 1.00 0.00 N ATOM 787 CA GLN A 49 -5.933 -16.941 2.668 1.00 0.00 C ATOM 788 C GLN A 49 -6.617 -17.872 1.667 1.00 0.00 C ATOM 789 O GLN A 49 -7.304 -18.816 2.058 1.00 0.00 O ATOM 790 CB GLN A 49 -6.892 -16.616 3.815 1.00 0.00 C ATOM 791 CG GLN A 49 -6.195 -16.404 5.150 1.00 0.00 C ATOM 792 CD GLN A 49 -5.963 -17.702 5.897 1.00 0.00 C ATOM 793 OE1 GLN A 49 -4.826 -18.150 6.050 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.043 -18.314 6.369 1.00 0.00 N ATOM 0 H GLN A 49 -6.164 -14.959 2.022 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.057 -17.455 3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.456 -15.718 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.613 -17.427 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.238 -15.909 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.795 -15.736 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.966 -17.907 6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.949 -19.191 6.881 1.00 0.00 H new ATOM 803 N GLY A 50 -6.425 -17.608 0.377 1.00 0.00 N ATOM 804 CA GLY A 50 -7.030 -18.442 -0.647 1.00 0.00 C ATOM 805 C GLY A 50 -8.254 -17.806 -1.278 1.00 0.00 C ATOM 806 O GLY A 50 -9.136 -18.506 -1.776 1.00 0.00 O ATOM 0 H GLY A 50 -5.863 -16.834 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.293 -18.648 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.309 -19.401 -0.210 1.00 0.00 H new ATOM 810 N GLY A 51 -8.310 -16.478 -1.258 1.00 0.00 N ATOM 811 CA GLY A 51 -9.442 -15.777 -1.837 1.00 0.00 C ATOM 812 C GLY A 51 -9.117 -15.152 -3.181 1.00 0.00 C ATOM 813 O GLY A 51 -9.671 -14.113 -3.539 1.00 0.00 O ATOM 0 H GLY A 51 -7.594 -15.876 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.273 -16.472 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.773 -14.999 -1.149 1.00 0.00 H new ATOM 817 N GLY A 52 -8.219 -15.788 -3.929 1.00 0.00 N ATOM 818 CA GLY A 52 -7.841 -15.272 -5.233 1.00 0.00 C ATOM 819 C GLY A 52 -6.479 -14.605 -5.228 1.00 0.00 C ATOM 820 O GLY A 52 -6.193 -13.758 -6.074 1.00 0.00 O ATOM 0 H GLY A 52 -7.747 -16.650 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.838 -16.089 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.591 -14.554 -5.566 1.00 0.00 H new ATOM 824 N SER A 53 -5.638 -14.986 -4.273 1.00 0.00 N ATOM 825 CA SER A 53 -4.299 -14.419 -4.159 1.00 0.00 C ATOM 826 C SER A 53 -3.478 -14.670 -5.422 1.00 0.00 C ATOM 827 O SER A 53 -2.492 -13.980 -5.677 1.00 0.00 O ATOM 828 CB SER A 53 -3.578 -15.010 -2.944 1.00 0.00 C ATOM 829 OG SER A 53 -3.184 -16.350 -3.188 1.00 0.00 O ATOM 0 H SER A 53 -5.860 -15.686 -3.565 1.00 0.00 H new ATOM 0 HA SER A 53 -4.403 -13.342 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.701 -14.407 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.234 -14.973 -2.074 1.00 0.00 H new ATOM 0 HG SER A 53 -2.724 -16.705 -2.399 1.00 0.00 H new ATOM 835 N GLY A 54 -3.888 -15.660 -6.211 1.00 0.00 N ATOM 836 CA GLY A 54 -3.174 -15.976 -7.434 1.00 0.00 C ATOM 837 C GLY A 54 -3.755 -15.268 -8.642 1.00 0.00 C ATOM 838 O GLY A 54 -4.462 -15.873 -9.448 1.00 0.00 O ATOM 0 H GLY A 54 -4.701 -16.247 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.126 -15.697 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.201 -17.053 -7.600 1.00 0.00 H new ATOM 842 N GLY A 55 -3.456 -13.980 -8.763 1.00 0.00 N ATOM 843 CA GLY A 55 -3.960 -13.196 -9.878 1.00 0.00 C ATOM 844 C GLY A 55 -4.485 -11.843 -9.441 1.00 0.00 C ATOM 845 O GLY A 55 -4.737 -10.969 -10.271 1.00 0.00 O ATOM 0 H GLY A 55 -2.872 -13.462 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.164 -13.055 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.757 -13.748 -10.377 1.00 0.00 H new ATOM 849 N LYS A 56 -4.649 -11.668 -8.133 1.00 0.00 N ATOM 850 CA LYS A 56 -5.138 -10.413 -7.578 1.00 0.00 C ATOM 851 C LYS A 56 -3.984 -9.463 -7.307 1.00 0.00 C ATOM 852 O LYS A 56 -3.987 -8.321 -7.760 1.00 0.00 O ATOM 853 CB LYS A 56 -5.911 -10.678 -6.285 1.00 0.00 C ATOM 854 CG LYS A 56 -6.573 -9.440 -5.702 1.00 0.00 C ATOM 855 CD LYS A 56 -5.684 -8.760 -4.673 1.00 0.00 C ATOM 856 CE LYS A 56 -5.623 -9.551 -3.378 1.00 0.00 C ATOM 857 NZ LYS A 56 -4.483 -10.509 -3.364 1.00 0.00 N ATOM 0 H LYS A 56 -4.449 -12.385 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.805 -9.950 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.675 -11.431 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.230 -11.097 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.804 -8.739 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.520 -9.717 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.679 -8.646 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.062 -7.758 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.530 -8.864 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.557 -10.096 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.101 -10.580 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.812 -11.445 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.739 -10.172 -4.008 1.00 0.00 H new ATOM 871 N LEU A 57 -2.999 -9.946 -6.563 1.00 0.00 N ATOM 872 CA LEU A 57 -1.831 -9.146 -6.213 1.00 0.00 C ATOM 873 C LEU A 57 -1.140 -8.562 -7.445 1.00 0.00 C ATOM 874 O LEU A 57 -0.274 -7.703 -7.315 1.00 0.00 O ATOM 875 CB LEU A 57 -0.841 -9.994 -5.407 1.00 0.00 C ATOM 876 CG LEU A 57 -0.255 -9.346 -4.141 1.00 0.00 C ATOM 877 CD1 LEU A 57 -1.187 -8.289 -3.563 1.00 0.00 C ATOM 878 CD2 LEU A 57 0.036 -10.415 -3.100 1.00 0.00 C ATOM 0 H LEU A 57 -2.985 -10.894 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.177 -8.308 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.340 -10.918 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.015 -10.270 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 57 0.673 -8.847 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.736 -7.856 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.352 -7.506 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.140 -8.748 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.451 -9.949 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.888 -10.934 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.754 -11.130 -3.503 1.00 0.00 H new ATOM 890 N GLN A 58 -1.509 -9.020 -8.638 1.00 0.00 N ATOM 891 CA GLN A 58 -0.893 -8.504 -9.855 1.00 0.00 C ATOM 892 C GLN A 58 -1.594 -7.235 -10.332 1.00 0.00 C ATOM 893 O GLN A 58 -0.949 -6.211 -10.562 1.00 0.00 O ATOM 894 CB GLN A 58 -0.890 -9.567 -10.960 1.00 0.00 C ATOM 895 CG GLN A 58 -2.195 -10.336 -11.084 1.00 0.00 C ATOM 896 CD GLN A 58 -2.686 -10.429 -12.516 1.00 0.00 C ATOM 897 OE1 GLN A 58 -2.547 -11.465 -13.166 1.00 0.00 O ATOM 898 NE2 GLN A 58 -3.265 -9.343 -13.014 1.00 0.00 N ATOM 0 H GLN A 58 -2.220 -9.736 -8.787 1.00 0.00 H new ATOM 0 HA GLN A 58 0.141 -8.251 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.673 -9.085 -11.913 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.082 -10.273 -10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.059 -11.341 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.957 -9.851 -10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.359 -8.506 -12.439 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.616 -9.346 -13.972 1.00 0.00 H new ATOM 907 N GLU A 59 -2.914 -7.297 -10.466 1.00 0.00 N ATOM 908 CA GLU A 59 -3.690 -6.140 -10.899 1.00 0.00 C ATOM 909 C GLU A 59 -4.064 -5.278 -9.701 1.00 0.00 C ATOM 910 O GLU A 59 -4.253 -4.068 -9.826 1.00 0.00 O ATOM 911 CB GLU A 59 -4.950 -6.587 -11.644 1.00 0.00 C ATOM 912 CG GLU A 59 -4.813 -6.535 -13.157 1.00 0.00 C ATOM 913 CD GLU A 59 -5.438 -5.290 -13.756 1.00 0.00 C ATOM 914 OE1 GLU A 59 -5.060 -4.176 -13.338 1.00 0.00 O ATOM 915 OE2 GLU A 59 -6.306 -5.430 -14.643 1.00 0.00 O ATOM 0 H GLU A 59 -3.468 -8.133 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.078 -5.548 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.197 -7.606 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.785 -5.955 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.757 -6.571 -13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.282 -7.418 -13.591 1.00 0.00 H new ATOM 922 N MET A 60 -4.157 -5.910 -8.536 1.00 0.00 N ATOM 923 CA MET A 60 -4.495 -5.205 -7.311 1.00 0.00 C ATOM 924 C MET A 60 -3.282 -4.450 -6.785 1.00 0.00 C ATOM 925 O MET A 60 -3.411 -3.349 -6.249 1.00 0.00 O ATOM 926 CB MET A 60 -5.004 -6.188 -6.253 1.00 0.00 C ATOM 927 CG MET A 60 -5.126 -5.585 -4.861 1.00 0.00 C ATOM 928 SD MET A 60 -3.963 -6.315 -3.690 1.00 0.00 S ATOM 929 CE MET A 60 -2.736 -5.017 -3.578 1.00 0.00 C ATOM 0 H MET A 60 -4.002 -6.911 -8.417 1.00 0.00 H new ATOM 0 HA MET A 60 -5.286 -4.488 -7.531 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.979 -6.566 -6.561 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.329 -7.043 -6.210 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.954 -4.510 -4.917 1.00 0.00 H new ATOM 0 HG3 MET A 60 -6.143 -5.726 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.750 -5.429 -3.794 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.968 -4.234 -4.300 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.741 -4.597 -2.572 1.00 0.00 H new ATOM 939 N MET A 61 -2.098 -5.045 -6.939 1.00 0.00 N ATOM 940 CA MET A 61 -0.869 -4.406 -6.467 1.00 0.00 C ATOM 941 C MET A 61 -0.780 -2.968 -6.972 1.00 0.00 C ATOM 942 O MET A 61 -0.342 -2.071 -6.252 1.00 0.00 O ATOM 943 CB MET A 61 0.363 -5.201 -6.919 1.00 0.00 C ATOM 944 CG MET A 61 1.652 -4.391 -6.955 1.00 0.00 C ATOM 945 SD MET A 61 1.915 -3.574 -8.541 1.00 0.00 S ATOM 946 CE MET A 61 3.663 -3.197 -8.442 1.00 0.00 C ATOM 0 H MET A 61 -1.964 -5.955 -7.380 1.00 0.00 H new ATOM 0 HA MET A 61 -0.894 -4.391 -5.377 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.499 -6.050 -6.249 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.175 -5.607 -7.913 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.628 -3.641 -6.164 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.496 -5.048 -6.745 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.929 -2.495 -9.232 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.885 -2.752 -7.472 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.240 -4.114 -8.562 1.00 0.00 H new ATOM 956 N LYS A 62 -1.196 -2.760 -8.216 1.00 0.00 N ATOM 957 CA LYS A 62 -1.161 -1.435 -8.820 1.00 0.00 C ATOM 958 C LYS A 62 -2.090 -0.468 -8.086 1.00 0.00 C ATOM 959 O LYS A 62 -1.920 0.747 -8.170 1.00 0.00 O ATOM 960 CB LYS A 62 -1.548 -1.518 -10.300 1.00 0.00 C ATOM 961 CG LYS A 62 -3.037 -1.734 -10.536 1.00 0.00 C ATOM 962 CD LYS A 62 -3.691 -0.508 -11.156 1.00 0.00 C ATOM 963 CE LYS A 62 -4.045 -0.742 -12.615 1.00 0.00 C ATOM 964 NZ LYS A 62 -2.915 -0.401 -13.522 1.00 0.00 N ATOM 0 H LYS A 62 -1.561 -3.492 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.143 -1.054 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.241 -0.599 -10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.994 -2.333 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.181 -2.594 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.525 -1.968 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.592 -0.254 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.016 0.345 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.323 -1.786 -12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.916 -0.141 -12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.197 -0.574 -14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.666 0.602 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.092 -0.992 -13.288 1.00 0.00 H new ATOM 978 N GLU A 63 -3.077 -1.012 -7.378 1.00 0.00 N ATOM 979 CA GLU A 63 -4.034 -0.185 -6.646 1.00 0.00 C ATOM 980 C GLU A 63 -3.427 0.394 -5.371 1.00 0.00 C ATOM 981 O GLU A 63 -3.640 1.565 -5.055 1.00 0.00 O ATOM 982 CB GLU A 63 -5.290 -0.988 -6.305 1.00 0.00 C ATOM 983 CG GLU A 63 -6.559 -0.391 -6.890 1.00 0.00 C ATOM 984 CD GLU A 63 -7.339 -1.381 -7.733 1.00 0.00 C ATOM 985 OE1 GLU A 63 -6.789 -1.860 -8.748 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.499 -1.677 -7.379 1.00 0.00 O ATOM 0 H GLU A 63 -3.235 -2.016 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.304 0.646 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.173 -2.007 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.391 -1.050 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.193 -0.032 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.300 0.474 -7.500 1.00 0.00 H new ATOM 993 N PHE A 64 -2.672 -0.420 -4.636 1.00 0.00 N ATOM 994 CA PHE A 64 -2.053 0.043 -3.406 1.00 0.00 C ATOM 995 C PHE A 64 -0.882 0.971 -3.723 1.00 0.00 C ATOM 996 O PHE A 64 -0.518 1.831 -2.923 1.00 0.00 O ATOM 997 CB PHE A 64 -1.629 -1.151 -2.535 1.00 0.00 C ATOM 998 CG PHE A 64 -0.253 -1.688 -2.809 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.870 -1.024 -2.353 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.090 -2.873 -3.505 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.133 -1.532 -2.587 1.00 0.00 C ATOM 1002 CE2 PHE A 64 1.168 -3.384 -3.746 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.282 -2.712 -3.285 1.00 0.00 C ATOM 0 H PHE A 64 -2.478 -1.393 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.779 0.618 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.683 -0.853 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.350 -1.956 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.759 -0.098 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.959 -3.404 -3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.003 -1.005 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.281 -4.308 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.269 -3.110 -3.471 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.320 0.804 -4.916 1.00 0.00 N ATOM 1014 CA GLN A 65 0.783 1.640 -5.368 1.00 0.00 C ATOM 1015 C GLN A 65 0.247 2.951 -5.941 1.00 0.00 C ATOM 1016 O GLN A 65 0.891 3.995 -5.840 1.00 0.00 O ATOM 1017 CB GLN A 65 1.611 0.907 -6.426 1.00 0.00 C ATOM 1018 CG GLN A 65 2.791 1.715 -6.941 1.00 0.00 C ATOM 1019 CD GLN A 65 3.243 1.274 -8.319 1.00 0.00 C ATOM 1020 OE1 GLN A 65 2.695 1.707 -9.333 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.248 0.408 -8.362 1.00 0.00 N ATOM 0 H GLN A 65 -0.613 0.095 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 65 1.424 1.860 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.978 -0.029 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.965 0.647 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.518 2.770 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.623 1.622 -6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.672 0.076 -7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.596 0.075 -9.261 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.944 2.884 -6.539 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.578 4.060 -7.128 1.00 0.00 C ATOM 1032 C GLN A 66 -1.769 5.150 -6.080 1.00 0.00 C ATOM 1033 O GLN A 66 -1.618 6.337 -6.367 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.931 3.686 -7.741 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.163 4.290 -9.117 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.393 5.174 -9.167 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -4.289 6.400 -9.226 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.568 4.556 -9.142 1.00 0.00 N ATOM 0 H GLN A 66 -1.488 2.026 -6.627 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.925 4.440 -7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.000 2.601 -7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.727 4.012 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.289 4.874 -9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.266 3.489 -9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.608 3.538 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.431 5.099 -9.172 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.096 4.736 -4.862 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.299 5.669 -3.759 1.00 0.00 C ATOM 1049 C VAL A 67 -1.080 6.568 -3.590 1.00 0.00 C ATOM 1050 O VAL A 67 -1.207 7.767 -3.346 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.578 4.897 -2.449 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.672 5.833 -1.250 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.849 4.072 -2.596 1.00 0.00 C ATOM 0 H VAL A 67 -2.227 3.756 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.162 6.294 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.738 4.227 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.869 5.252 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.732 6.373 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.482 6.545 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.040 3.530 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.689 4.733 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.729 3.361 -3.414 1.00 0.00 H new ATOM 1063 N LEU A 68 0.098 5.981 -3.750 1.00 0.00 N ATOM 1064 CA LEU A 68 1.345 6.725 -3.646 1.00 0.00 C ATOM 1065 C LEU A 68 1.575 7.565 -4.904 1.00 0.00 C ATOM 1066 O LEU A 68 2.520 8.347 -4.971 1.00 0.00 O ATOM 1067 CB LEU A 68 2.501 5.765 -3.421 1.00 0.00 C ATOM 1068 CG LEU A 68 2.862 5.566 -1.950 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.140 4.353 -1.376 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.370 5.429 -1.792 1.00 0.00 C ATOM 0 H LEU A 68 0.216 4.988 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 68 1.283 7.403 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.248 4.799 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.377 6.135 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 68 2.537 6.443 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.412 4.230 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.063 4.499 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.428 3.461 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.614 5.288 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.719 4.569 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.858 6.332 -2.160 1.00 0.00 H new ATOM 1082 N ASP A 69 0.693 7.411 -5.896 1.00 0.00 N ATOM 1083 CA ASP A 69 0.789 8.172 -7.136 1.00 0.00 C ATOM 1084 C ASP A 69 0.309 9.596 -6.892 1.00 0.00 C ATOM 1085 O ASP A 69 1.054 10.556 -7.094 1.00 0.00 O ATOM 1086 CB ASP A 69 -0.042 7.516 -8.241 1.00 0.00 C ATOM 1087 CG ASP A 69 0.391 7.955 -9.627 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.340 7.352 -10.171 1.00 0.00 O ATOM 1089 OD2 ASP A 69 -0.219 8.901 -10.168 1.00 0.00 O ATOM 0 H ASP A 69 -0.095 6.764 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 69 1.829 8.189 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.045 6.432 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.094 7.763 -8.096 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.929 9.726 -6.410 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.487 11.038 -6.086 1.00 0.00 C ATOM 1096 C GLU A 70 -0.529 11.752 -5.150 1.00 0.00 C ATOM 1097 O GLU A 70 -0.321 12.962 -5.226 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.844 10.877 -5.385 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.806 12.033 -5.609 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.908 12.445 -7.066 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -3.723 11.575 -7.942 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.174 13.636 -7.329 1.00 0.00 O ATOM 0 H GLU A 70 -1.560 8.943 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.626 11.611 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.313 9.957 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.675 10.763 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.795 11.751 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.481 12.889 -5.017 1.00 0.00 H new ATOM 1109 N LEU A 71 0.036 10.951 -4.263 1.00 0.00 N ATOM 1110 CA LEU A 71 0.975 11.396 -3.256 1.00 0.00 C ATOM 1111 C LEU A 71 2.338 11.740 -3.858 1.00 0.00 C ATOM 1112 O LEU A 71 2.751 12.899 -3.857 1.00 0.00 O ATOM 1113 CB LEU A 71 1.088 10.272 -2.233 1.00 0.00 C ATOM 1114 CG LEU A 71 2.305 10.293 -1.317 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.914 10.787 0.062 1.00 0.00 C ATOM 1116 CD2 LEU A 71 2.897 8.901 -1.227 1.00 0.00 C ATOM 0 H LEU A 71 -0.152 9.949 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 71 0.621 12.314 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.194 10.290 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.084 9.323 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 71 3.051 10.972 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.792 10.797 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.508 11.796 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.160 10.124 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.768 8.918 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.152 8.214 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.197 8.568 -2.221 1.00 0.00 H new ATOM 1128 N ASN A 72 3.036 10.726 -4.359 1.00 0.00 N ATOM 1129 CA ASN A 72 4.357 10.917 -4.953 1.00 0.00 C ATOM 1130 C ASN A 72 4.346 12.037 -5.990 1.00 0.00 C ATOM 1131 O ASN A 72 5.374 12.665 -6.248 1.00 0.00 O ATOM 1132 CB ASN A 72 4.843 9.618 -5.599 1.00 0.00 C ATOM 1133 CG ASN A 72 6.307 9.677 -5.986 1.00 0.00 C ATOM 1134 OD1 ASN A 72 6.716 10.513 -6.792 1.00 0.00 O ATOM 1135 ND2 ASN A 72 7.108 8.787 -5.411 1.00 0.00 N ATOM 0 H ASN A 72 2.709 9.760 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 72 5.041 11.200 -4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.686 8.791 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.244 9.410 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.104 8.779 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.727 8.112 -4.748 1.00 0.00 H new ATOM 1142 N ASN A 73 3.184 12.282 -6.582 1.00 0.00 N ATOM 1143 CA ASN A 73 3.049 13.326 -7.592 1.00 0.00 C ATOM 1144 C ASN A 73 2.734 14.681 -6.959 1.00 0.00 C ATOM 1145 O ASN A 73 2.440 15.646 -7.665 1.00 0.00 O ATOM 1146 CB ASN A 73 1.955 12.952 -8.593 1.00 0.00 C ATOM 1147 CG ASN A 73 2.391 11.851 -9.540 1.00 0.00 C ATOM 1148 OD1 ASN A 73 3.406 11.191 -9.319 1.00 0.00 O ATOM 1149 ND2 ASN A 73 1.622 11.647 -10.603 1.00 0.00 N ATOM 0 H ASN A 73 2.323 11.774 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 73 4.003 13.411 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.065 12.631 -8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.676 13.834 -9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.864 10.919 -11.276 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.789 12.218 -10.747 1.00 0.00 H new ATOM 1156 N HIS A 74 2.788 14.754 -5.630 1.00 0.00 N ATOM 1157 CA HIS A 74 2.499 16.002 -4.929 1.00 0.00 C ATOM 1158 C HIS A 74 3.195 16.067 -3.578 1.00 0.00 C ATOM 1159 O HIS A 74 2.689 16.693 -2.650 1.00 0.00 O ATOM 1160 CB HIS A 74 0.991 16.174 -4.751 1.00 0.00 C ATOM 1161 CG HIS A 74 0.287 16.624 -5.994 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.359 17.916 -6.473 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.506 15.948 -6.857 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.361 18.014 -7.577 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.895 16.834 -7.832 1.00 0.00 N ATOM 0 H HIS A 74 3.027 13.971 -5.022 1.00 0.00 H new ATOM 0 HA HIS A 74 2.885 16.817 -5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.562 15.227 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.808 16.898 -3.957 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.782 14.906 -6.792 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.490 18.908 -8.170 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.499 16.616 -8.625 1.00 0.00 H new ATOM 1174 N LEU A 75 4.371 15.448 -3.478 1.00 0.00 N ATOM 1175 CA LEU A 75 5.141 15.480 -2.236 1.00 0.00 C ATOM 1176 C LEU A 75 5.260 16.923 -1.765 1.00 0.00 C ATOM 1177 O LEU A 75 6.179 17.642 -2.158 1.00 0.00 O ATOM 1178 CB LEU A 75 6.537 14.895 -2.457 1.00 0.00 C ATOM 1179 CG LEU A 75 6.832 13.600 -1.701 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.346 13.692 -0.262 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.194 12.418 -2.407 1.00 0.00 C ATOM 0 H LEU A 75 4.808 14.923 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 75 4.630 14.882 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.671 14.712 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.276 15.642 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 75 7.912 13.451 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.567 12.759 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.853 14.516 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.270 13.867 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.413 11.503 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.115 12.562 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.595 12.338 -3.417 1.00 0.00 H new ATOM 1193 N GLN A 76 4.304 17.348 -0.956 1.00 0.00 N ATOM 1194 CA GLN A 76 4.273 18.716 -0.467 1.00 0.00 C ATOM 1195 C GLN A 76 5.455 19.005 0.458 1.00 0.00 C ATOM 1196 O GLN A 76 5.284 19.195 1.663 1.00 0.00 O ATOM 1197 CB GLN A 76 2.951 18.990 0.256 1.00 0.00 C ATOM 1198 CG GLN A 76 2.252 20.257 -0.212 1.00 0.00 C ATOM 1199 CD GLN A 76 3.162 21.470 -0.186 1.00 0.00 C ATOM 1200 OE1 GLN A 76 3.254 22.170 0.823 1.00 0.00 O ATOM 1201 NE2 GLN A 76 3.842 21.724 -1.298 1.00 0.00 N ATOM 0 H GLN A 76 3.537 16.764 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 76 4.353 19.381 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.283 18.141 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.141 19.064 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.880 20.109 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.385 20.444 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.735 21.117 -2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.471 22.526 -1.339 1.00 0.00 H new ATOM 1210 N GLY A 77 6.652 19.039 -0.114 1.00 0.00 N ATOM 1211 CA GLY A 77 7.844 19.307 0.670 1.00 0.00 C ATOM 1212 C GLY A 77 8.045 18.307 1.792 1.00 0.00 C ATOM 1213 O GLY A 77 8.695 18.608 2.793 1.00 0.00 O ATOM 0 H GLY A 77 6.820 18.886 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.715 19.292 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.779 20.310 1.091 1.00 0.00 H new ATOM 1217 N GLY A 78 7.487 17.112 1.624 1.00 0.00 N ATOM 1218 CA GLY A 78 7.622 16.081 2.637 1.00 0.00 C ATOM 1219 C GLY A 78 8.059 14.754 2.050 1.00 0.00 C ATOM 1220 O GLY A 78 7.493 13.709 2.371 1.00 0.00 O ATOM 0 H GLY A 78 6.944 16.839 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.347 16.402 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.670 15.953 3.151 1.00 0.00 H new ATOM 1224 N LYS A 79 9.067 14.799 1.185 1.00 0.00 N ATOM 1225 CA LYS A 79 9.581 13.595 0.542 1.00 0.00 C ATOM 1226 C LYS A 79 9.992 12.550 1.572 1.00 0.00 C ATOM 1227 O LYS A 79 9.882 11.350 1.327 1.00 0.00 O ATOM 1228 CB LYS A 79 10.773 13.941 -0.352 1.00 0.00 C ATOM 1229 CG LYS A 79 10.842 13.112 -1.624 1.00 0.00 C ATOM 1230 CD LYS A 79 11.629 11.827 -1.412 1.00 0.00 C ATOM 1231 CE LYS A 79 10.849 10.610 -1.885 1.00 0.00 C ATOM 1232 NZ LYS A 79 10.629 10.629 -3.357 1.00 0.00 N ATOM 0 H LYS A 79 9.545 15.658 0.913 1.00 0.00 H new ATOM 0 HA LYS A 79 8.782 13.175 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.722 14.997 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.694 13.800 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.833 12.871 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.307 13.698 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.575 11.886 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.870 11.717 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.389 9.704 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.887 10.575 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.094 9.783 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.092 11.481 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.547 10.637 -3.845 1.00 0.00 H new ATOM 1246 N HIS A 80 10.467 13.011 2.722 1.00 0.00 N ATOM 1247 CA HIS A 80 10.897 12.109 3.785 1.00 0.00 C ATOM 1248 C HIS A 80 9.766 11.177 4.203 1.00 0.00 C ATOM 1249 O HIS A 80 10.000 10.021 4.555 1.00 0.00 O ATOM 1250 CB HIS A 80 11.394 12.904 4.993 1.00 0.00 C ATOM 1251 CG HIS A 80 10.399 13.899 5.505 1.00 0.00 C ATOM 1252 ND1 HIS A 80 10.277 15.173 4.992 1.00 0.00 N ATOM 1253 CD2 HIS A 80 9.473 13.802 6.489 1.00 0.00 C ATOM 1254 CE1 HIS A 80 9.322 15.817 5.640 1.00 0.00 C ATOM 1255 NE2 HIS A 80 8.818 15.006 6.552 1.00 0.00 N ATOM 0 H HIS A 80 10.565 14.002 2.943 1.00 0.00 H new ATOM 0 HA HIS A 80 11.716 11.503 3.399 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.648 12.210 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.311 13.426 4.721 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.285 12.938 7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.007 16.833 5.455 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.064 15.237 7.199 1.00 0.00 H new ATOM 1264 N THR A 81 8.539 11.677 4.143 1.00 0.00 N ATOM 1265 CA THR A 81 7.377 10.879 4.496 1.00 0.00 C ATOM 1266 C THR A 81 7.203 9.768 3.479 1.00 0.00 C ATOM 1267 O THR A 81 7.504 8.607 3.754 1.00 0.00 O ATOM 1268 CB THR A 81 6.126 11.765 4.548 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.003 12.374 5.821 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.826 11.030 4.265 1.00 0.00 C ATOM 0 H THR A 81 8.325 12.631 3.853 1.00 0.00 H new ATOM 0 HA THR A 81 7.523 10.437 5.482 1.00 0.00 H new ATOM 0 HB THR A 81 6.273 12.501 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.895 11.681 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.992 11.730 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.865 10.593 3.267 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.687 10.239 5.002 1.00 0.00 H new ATOM 1278 N VAL A 82 6.731 10.145 2.300 1.00 0.00 N ATOM 1279 CA VAL A 82 6.521 9.197 1.218 1.00 0.00 C ATOM 1280 C VAL A 82 7.758 8.351 0.982 1.00 0.00 C ATOM 1281 O VAL A 82 7.649 7.149 0.782 1.00 0.00 O ATOM 1282 CB VAL A 82 6.158 9.912 -0.091 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.793 8.899 -1.166 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.021 10.890 0.142 1.00 0.00 C ATOM 0 H VAL A 82 6.485 11.107 2.068 1.00 0.00 H new ATOM 0 HA VAL A 82 5.693 8.556 1.520 1.00 0.00 H new ATOM 0 HB VAL A 82 7.026 10.474 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.538 9.422 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.641 8.238 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.938 8.310 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.774 11.390 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.147 10.351 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.325 11.632 0.880 1.00 0.00 H new ATOM 1294 N HIS A 83 8.936 8.971 1.015 1.00 0.00 N ATOM 1295 CA HIS A 83 10.172 8.227 0.809 1.00 0.00 C ATOM 1296 C HIS A 83 10.177 6.988 1.691 1.00 0.00 C ATOM 1297 O HIS A 83 10.572 5.905 1.263 1.00 0.00 O ATOM 1298 CB HIS A 83 11.391 9.100 1.116 1.00 0.00 C ATOM 1299 CG HIS A 83 12.698 8.397 0.912 1.00 0.00 C ATOM 1300 ND1 HIS A 83 12.997 7.681 -0.228 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.788 8.303 1.709 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.214 7.177 -0.123 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.716 7.540 1.042 1.00 0.00 N ATOM 0 H HIS A 83 9.058 9.970 1.180 1.00 0.00 H new ATOM 0 HA HIS A 83 10.227 7.925 -0.237 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.362 9.986 0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.330 9.444 2.148 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.376 7.559 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.906 8.745 2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.713 6.571 -0.865 1.00 0.00 H new ATOM 1312 N HIS A 84 9.711 7.158 2.922 1.00 0.00 N ATOM 1313 CA HIS A 84 9.632 6.056 3.867 1.00 0.00 C ATOM 1314 C HIS A 84 8.446 5.149 3.543 1.00 0.00 C ATOM 1315 O HIS A 84 8.464 3.959 3.851 1.00 0.00 O ATOM 1316 CB HIS A 84 9.514 6.586 5.297 1.00 0.00 C ATOM 1317 CG HIS A 84 9.451 5.507 6.333 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.497 4.645 6.586 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.458 5.151 7.182 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.149 3.805 7.545 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.918 4.091 7.924 1.00 0.00 N ATOM 0 H HIS A 84 9.382 8.051 3.288 1.00 0.00 H new ATOM 0 HA HIS A 84 10.548 5.471 3.784 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.367 7.231 5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.620 7.204 5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.486 5.614 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.768 3.018 7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.393 3.604 8.650 1.00 0.00 H new ATOM 1330 N ILE A 85 7.410 5.722 2.924 1.00 0.00 N ATOM 1331 CA ILE A 85 6.215 4.957 2.570 1.00 0.00 C ATOM 1332 C ILE A 85 6.387 4.258 1.221 1.00 0.00 C ATOM 1333 O ILE A 85 5.873 3.164 1.020 1.00 0.00 O ATOM 1334 CB ILE A 85 4.911 5.827 2.595 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.380 6.157 1.199 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.115 7.103 3.381 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.879 6.383 1.173 1.00 0.00 C ATOM 0 H ILE A 85 7.376 6.707 2.660 1.00 0.00 H new ATOM 0 HA ILE A 85 6.095 4.193 3.338 1.00 0.00 H new ATOM 0 HB ILE A 85 4.159 5.214 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.883 7.050 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.631 5.343 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.192 7.683 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.387 6.858 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.913 7.688 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.563 6.613 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.369 5.483 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.625 7.216 1.829 1.00 0.00 H new ATOM 1349 N GLU A 86 7.125 4.884 0.308 1.00 0.00 N ATOM 1350 CA GLU A 86 7.373 4.301 -1.009 1.00 0.00 C ATOM 1351 C GLU A 86 8.379 3.167 -0.891 1.00 0.00 C ATOM 1352 O GLU A 86 8.166 2.082 -1.429 1.00 0.00 O ATOM 1353 CB GLU A 86 7.875 5.364 -1.993 1.00 0.00 C ATOM 1354 CG GLU A 86 8.921 6.293 -1.414 1.00 0.00 C ATOM 1355 CD GLU A 86 10.141 6.428 -2.305 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.482 5.444 -2.996 1.00 0.00 O ATOM 1357 OE2 GLU A 86 10.754 7.516 -2.317 1.00 0.00 O ATOM 0 H GLU A 86 7.562 5.794 0.455 1.00 0.00 H new ATOM 0 HA GLU A 86 6.434 3.904 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.291 4.866 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.027 5.957 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.480 7.277 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.229 5.922 -0.436 1.00 0.00 H new ATOM 1364 N GLN A 87 9.460 3.403 -0.149 1.00 0.00 N ATOM 1365 CA GLN A 87 10.462 2.368 0.064 1.00 0.00 C ATOM 1366 C GLN A 87 9.796 1.171 0.728 1.00 0.00 C ATOM 1367 O GLN A 87 10.195 0.024 0.533 1.00 0.00 O ATOM 1368 CB GLN A 87 11.602 2.893 0.944 1.00 0.00 C ATOM 1369 CG GLN A 87 12.961 2.874 0.266 1.00 0.00 C ATOM 1370 CD GLN A 87 12.931 3.476 -1.127 1.00 0.00 C ATOM 1371 OE1 GLN A 87 13.559 2.960 -2.052 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.199 4.572 -1.281 1.00 0.00 N ATOM 0 H GLN A 87 9.660 4.292 0.309 1.00 0.00 H new ATOM 0 HA GLN A 87 10.886 2.072 -0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.373 3.914 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.652 2.294 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.676 3.423 0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.317 1.846 0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.695 4.965 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.140 5.022 -2.195 1.00 0.00 H new ATOM 1381 N ASN A 88 8.759 1.468 1.507 1.00 0.00 N ATOM 1382 CA ASN A 88 7.997 0.453 2.207 1.00 0.00 C ATOM 1383 C ASN A 88 6.943 -0.161 1.280 1.00 0.00 C ATOM 1384 O ASN A 88 6.934 -1.370 1.052 1.00 0.00 O ATOM 1385 CB ASN A 88 7.342 1.074 3.454 1.00 0.00 C ATOM 1386 CG ASN A 88 5.887 0.684 3.626 1.00 0.00 C ATOM 1387 OD1 ASN A 88 5.567 -0.308 4.282 1.00 0.00 O ATOM 1388 ND2 ASN A 88 4.998 1.472 3.035 1.00 0.00 N ATOM 0 H ASN A 88 8.428 2.420 1.667 1.00 0.00 H new ATOM 0 HA ASN A 88 8.666 -0.347 2.523 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.900 0.768 4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 88 7.415 2.160 3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.002 1.266 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.311 2.283 2.502 1.00 0.00 H new ATOM 1395 N ILE A 89 6.054 0.683 0.757 1.00 0.00 N ATOM 1396 CA ILE A 89 4.989 0.224 -0.130 1.00 0.00 C ATOM 1397 C ILE A 89 5.551 -0.429 -1.377 1.00 0.00 C ATOM 1398 O ILE A 89 5.126 -1.519 -1.760 1.00 0.00 O ATOM 1399 CB ILE A 89 4.017 1.371 -0.517 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.649 1.112 0.107 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.882 1.526 -2.034 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.110 2.287 0.905 1.00 0.00 C ATOM 0 H ILE A 89 6.051 1.688 0.933 1.00 0.00 H new ATOM 0 HA ILE A 89 4.421 -0.522 0.426 1.00 0.00 H new ATOM 0 HB ILE A 89 4.431 2.303 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.940 0.865 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.716 0.241 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.192 2.340 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.858 1.749 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.500 0.599 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.135 2.029 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.798 2.521 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.010 3.155 0.253 1.00 0.00 H new ATOM 1414 N LYS A 90 6.508 0.226 -2.016 1.00 0.00 N ATOM 1415 CA LYS A 90 7.098 -0.335 -3.212 1.00 0.00 C ATOM 1416 C LYS A 90 7.766 -1.662 -2.884 1.00 0.00 C ATOM 1417 O LYS A 90 7.837 -2.558 -3.722 1.00 0.00 O ATOM 1418 CB LYS A 90 8.101 0.630 -3.846 1.00 0.00 C ATOM 1419 CG LYS A 90 7.472 1.918 -4.353 1.00 0.00 C ATOM 1420 CD LYS A 90 7.067 1.800 -5.814 1.00 0.00 C ATOM 1421 CE LYS A 90 8.246 2.049 -6.741 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.983 0.793 -7.054 1.00 0.00 N ATOM 0 H LYS A 90 6.884 1.130 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 90 6.303 -0.504 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.869 0.875 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.600 0.129 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.597 2.159 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.178 2.740 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.660 0.806 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.274 2.516 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.890 2.501 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.927 2.763 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.348 0.838 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.777 0.682 -6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.340 -0.019 -6.963 1.00 0.00 H new ATOM 1436 N GLU A 91 8.231 -1.787 -1.644 1.00 0.00 N ATOM 1437 CA GLU A 91 8.862 -3.014 -1.184 1.00 0.00 C ATOM 1438 C GLU A 91 7.817 -3.948 -0.573 1.00 0.00 C ATOM 1439 O GLU A 91 8.129 -5.069 -0.172 1.00 0.00 O ATOM 1440 CB GLU A 91 9.956 -2.706 -0.161 1.00 0.00 C ATOM 1441 CG GLU A 91 10.895 -3.874 0.093 1.00 0.00 C ATOM 1442 CD GLU A 91 12.247 -3.691 -0.569 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.346 -2.861 -1.498 1.00 0.00 O ATOM 1444 OE2 GLU A 91 13.207 -4.377 -0.160 1.00 0.00 O ATOM 0 H GLU A 91 8.181 -1.050 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 91 9.320 -3.508 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.537 -1.852 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.490 -2.413 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.034 -3.996 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.436 -4.791 -0.275 1.00 0.00 H new ATOM 1451 N ILE A 92 6.567 -3.479 -0.520 1.00 0.00 N ATOM 1452 CA ILE A 92 5.474 -4.267 0.020 1.00 0.00 C ATOM 1453 C ILE A 92 5.036 -5.292 -1.011 1.00 0.00 C ATOM 1454 O ILE A 92 4.805 -6.456 -0.690 1.00 0.00 O ATOM 1455 CB ILE A 92 4.284 -3.368 0.449 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.190 -3.317 1.975 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.967 -3.853 -0.140 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.485 -2.922 2.647 1.00 0.00 C ATOM 0 H ILE A 92 6.294 -2.553 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 92 5.823 -4.783 0.914 1.00 0.00 H new ATOM 0 HB ILE A 92 4.469 -2.366 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.412 -2.609 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.882 -4.295 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.160 -3.197 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.029 -3.841 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.768 -4.869 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.344 -2.907 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.262 -3.643 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.784 -1.931 2.306 1.00 0.00 H new ATOM 1470 N PHE A 93 4.952 -4.851 -2.263 1.00 0.00 N ATOM 1471 CA PHE A 93 4.569 -5.732 -3.353 1.00 0.00 C ATOM 1472 C PHE A 93 5.504 -6.943 -3.405 1.00 0.00 C ATOM 1473 O PHE A 93 5.123 -8.017 -3.867 1.00 0.00 O ATOM 1474 CB PHE A 93 4.616 -4.975 -4.688 1.00 0.00 C ATOM 1475 CG PHE A 93 5.888 -5.202 -5.447 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.106 -4.941 -4.849 1.00 0.00 C ATOM 1477 CD2 PHE A 93 5.869 -5.705 -6.736 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.285 -5.176 -5.518 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.049 -5.938 -7.416 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.260 -5.674 -6.806 1.00 0.00 C ATOM 0 H PHE A 93 5.144 -3.890 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 93 3.550 -6.079 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.772 -5.284 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.498 -3.908 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.133 -4.548 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.924 -5.917 -7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.230 -4.971 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.025 -6.326 -8.424 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.184 -5.856 -7.334 1.00 0.00 H new ATOM 1490 N HIS A 94 6.738 -6.748 -2.938 1.00 0.00 N ATOM 1491 CA HIS A 94 7.737 -7.810 -2.940 1.00 0.00 C ATOM 1492 C HIS A 94 7.281 -8.961 -2.065 1.00 0.00 C ATOM 1493 O HIS A 94 7.025 -10.061 -2.552 1.00 0.00 O ATOM 1494 CB HIS A 94 9.086 -7.279 -2.450 1.00 0.00 C ATOM 1495 CG HIS A 94 10.255 -8.078 -2.933 1.00 0.00 C ATOM 1496 ND1 HIS A 94 10.749 -7.988 -4.218 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.032 -8.987 -2.297 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.778 -8.807 -4.350 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.970 -9.424 -3.200 1.00 0.00 N ATOM 0 H HIS A 94 7.067 -5.862 -2.554 1.00 0.00 H new ATOM 0 HA HIS A 94 7.856 -8.170 -3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.202 -6.246 -2.779 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.089 -7.269 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.932 -9.308 -1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.362 -8.947 -5.247 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.697 -10.114 -3.012 1.00 0.00 H new ATOM 1508 N HIS A 95 7.151 -8.692 -0.773 1.00 0.00 N ATOM 1509 CA HIS A 95 6.690 -9.703 0.162 1.00 0.00 C ATOM 1510 C HIS A 95 5.263 -10.123 -0.180 1.00 0.00 C ATOM 1511 O HIS A 95 4.748 -11.098 0.367 1.00 0.00 O ATOM 1512 CB HIS A 95 6.753 -9.174 1.596 1.00 0.00 C ATOM 1513 CG HIS A 95 8.067 -9.424 2.269 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.221 -10.304 3.319 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.296 -8.903 2.036 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.485 -10.313 3.703 1.00 0.00 C ATOM 1517 NE2 HIS A 95 10.157 -9.472 2.940 1.00 0.00 N ATOM 0 H HIS A 95 7.358 -7.786 -0.352 1.00 0.00 H new ATOM 0 HA HIS A 95 7.343 -10.572 0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.556 -8.102 1.588 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.960 -9.639 2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.550 -8.175 1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.898 -10.907 4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.156 -9.276 3.011 1.00 0.00 H new ATOM 1526 N LEU A 96 4.629 -9.385 -1.095 1.00 0.00 N ATOM 1527 CA LEU A 96 3.266 -9.695 -1.507 1.00 0.00 C ATOM 1528 C LEU A 96 3.276 -10.665 -2.673 1.00 0.00 C ATOM 1529 O LEU A 96 2.811 -11.800 -2.556 1.00 0.00 O ATOM 1530 CB LEU A 96 2.533 -8.415 -1.893 1.00 0.00 C ATOM 1531 CG LEU A 96 2.066 -7.573 -0.716 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.364 -6.318 -1.207 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.146 -8.371 0.199 1.00 0.00 C ATOM 0 H LEU A 96 5.038 -8.574 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 96 2.745 -10.162 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.190 -7.810 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.667 -8.677 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 96 2.945 -7.282 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.036 -5.727 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.053 -5.729 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.499 -6.597 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.828 -7.744 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.272 -8.701 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.680 -9.240 0.583 1.00 0.00 H new ATOM 1545 N GLU A 97 3.834 -10.223 -3.793 1.00 0.00 N ATOM 1546 CA GLU A 97 3.931 -11.066 -4.972 1.00 0.00 C ATOM 1547 C GLU A 97 4.815 -12.273 -4.679 1.00 0.00 C ATOM 1548 O GLU A 97 4.827 -13.244 -5.435 1.00 0.00 O ATOM 1549 CB GLU A 97 4.494 -10.273 -6.152 1.00 0.00 C ATOM 1550 CG GLU A 97 3.440 -9.491 -6.918 1.00 0.00 C ATOM 1551 CD GLU A 97 3.735 -9.416 -8.404 1.00 0.00 C ATOM 1552 OE1 GLU A 97 4.811 -8.898 -8.769 1.00 0.00 O ATOM 1553 OE2 GLU A 97 2.890 -9.875 -9.201 1.00 0.00 O ATOM 0 H GLU A 97 4.225 -9.288 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 97 2.932 -11.414 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.252 -9.581 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.993 -10.960 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.466 -9.957 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.376 -8.481 -6.513 1.00 0.00 H new ATOM 1560 N GLU A 98 5.552 -12.209 -3.567 1.00 0.00 N ATOM 1561 CA GLU A 98 6.430 -13.305 -3.175 1.00 0.00 C ATOM 1562 C GLU A 98 5.655 -14.357 -2.390 1.00 0.00 C ATOM 1563 O GLU A 98 5.994 -15.539 -2.412 1.00 0.00 O ATOM 1564 CB GLU A 98 7.600 -12.785 -2.337 1.00 0.00 C ATOM 1565 CG GLU A 98 8.696 -12.130 -3.162 1.00 0.00 C ATOM 1566 CD GLU A 98 9.929 -13.003 -3.292 1.00 0.00 C ATOM 1567 OE1 GLU A 98 9.830 -14.080 -3.919 1.00 0.00 O ATOM 1568 OE2 GLU A 98 10.992 -12.611 -2.768 1.00 0.00 O ATOM 0 H GLU A 98 5.556 -11.414 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 98 6.825 -13.763 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.224 -12.065 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.028 -13.613 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.310 -11.902 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.974 -11.181 -2.702 1.00 0.00 H new ATOM 1575 N LEU A 99 4.608 -13.916 -1.699 1.00 0.00 N ATOM 1576 CA LEU A 99 3.777 -14.813 -0.905 1.00 0.00 C ATOM 1577 C LEU A 99 3.097 -15.850 -1.792 1.00 0.00 C ATOM 1578 O LEU A 99 3.205 -17.053 -1.554 1.00 0.00 O ATOM 1579 CB LEU A 99 2.721 -14.012 -0.141 1.00 0.00 C ATOM 1580 CG LEU A 99 1.877 -14.824 0.843 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.675 -15.136 2.100 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.599 -14.075 1.190 1.00 0.00 C ATOM 0 H LEU A 99 4.315 -12.939 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 99 4.419 -15.333 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.220 -13.212 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.055 -13.538 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 99 1.605 -15.767 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.058 -15.714 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.561 -15.713 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.978 -14.205 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.010 -14.666 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.851 -13.117 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.020 -13.904 0.283 1.00 0.00 H new ATOM 1594 N VAL A 100 2.393 -15.373 -2.815 1.00 0.00 N ATOM 1595 CA VAL A 100 1.691 -16.256 -3.737 1.00 0.00 C ATOM 1596 C VAL A 100 2.666 -17.004 -4.641 1.00 0.00 C ATOM 1597 O VAL A 100 2.376 -18.106 -5.106 1.00 0.00 O ATOM 1598 CB VAL A 100 0.695 -15.472 -4.612 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.121 -16.420 -5.476 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.213 -14.612 -3.746 1.00 0.00 C ATOM 0 H VAL A 100 2.295 -14.380 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 100 1.144 -16.976 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 100 1.260 -14.814 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.819 -15.847 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.547 -16.988 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.677 -17.107 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.910 -14.065 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.771 -15.249 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.390 -13.905 -3.177 1.00 0.00 H new ATOM 1610 N HIS A 101 3.822 -16.397 -4.891 1.00 0.00 N ATOM 1611 CA HIS A 101 4.837 -17.006 -5.744 1.00 0.00 C ATOM 1612 C HIS A 101 5.867 -17.770 -4.915 1.00 0.00 C ATOM 1613 O HIS A 101 7.044 -17.827 -5.273 1.00 0.00 O ATOM 1614 CB HIS A 101 5.538 -15.936 -6.581 1.00 0.00 C ATOM 1615 CG HIS A 101 4.657 -15.318 -7.623 1.00 0.00 C ATOM 1616 ND1 HIS A 101 3.280 -15.378 -7.579 1.00 0.00 N ATOM 1617 CD2 HIS A 101 4.966 -14.621 -8.743 1.00 0.00 C ATOM 1618 CE1 HIS A 101 2.780 -14.747 -8.628 1.00 0.00 C ATOM 1619 NE2 HIS A 101 3.782 -14.278 -9.348 1.00 0.00 N ATOM 0 H HIS A 101 4.079 -15.484 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 101 4.337 -17.712 -6.407 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.908 -15.153 -5.919 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.407 -16.379 -7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.958 -14.380 -9.094 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.731 -14.635 -8.857 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.691 -13.747 -10.214 1.00 0.00 H new ATOM 1628 N ARG A 102 5.420 -18.359 -3.811 1.00 0.00 N ATOM 1629 CA ARG A 102 6.306 -19.120 -2.939 1.00 0.00 C ATOM 1630 C ARG A 102 5.926 -20.597 -2.932 1.00 0.00 C ATOM 1631 O ARG A 102 4.713 -20.894 -2.897 1.00 0.00 O ATOM 1632 CB ARG A 102 6.262 -18.562 -1.515 1.00 0.00 C ATOM 1633 CG ARG A 102 7.629 -18.463 -0.858 1.00 0.00 C ATOM 1634 CD ARG A 102 7.761 -17.193 -0.032 1.00 0.00 C ATOM 1635 NE ARG A 102 9.034 -17.135 0.683 1.00 0.00 N ATOM 1636 CZ ARG A 102 9.285 -16.294 1.684 1.00 0.00 C ATOM 1637 NH1 ARG A 102 8.353 -15.441 2.093 1.00 0.00 N ATOM 1638 NH2 ARG A 102 10.469 -16.308 2.279 1.00 0.00 N ATOM 1639 OXT ARG A 102 6.843 -21.444 -2.960 1.00 0.00 O ATOM 0 H ARG A 102 4.449 -18.324 -3.499 1.00 0.00 H new ATOM 0 HA ARG A 102 7.321 -19.026 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.805 -17.572 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.620 -19.197 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.791 -19.332 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.404 -18.482 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.672 -16.325 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.940 -17.139 0.684 1.00 0.00 H new ATOM 0 HE ARG A 102 9.774 -17.777 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.439 -15.428 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.551 -14.799 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.187 -16.963 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.662 -15.664 3.046 1.00 0.00 H new