USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 496 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 27 SER OG : rot 89:sc= 0.839 USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.408 K(o=-0.41,f=-1.5!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 12 SER OG : rot 78:sc= 0.422 USER MOD Single : A 17 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 21 SER OG : rot -55:sc= 0.949 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= -0.799 (180deg=-1.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.635 -0.645 13.786 1.00 0.00 N ATOM 2 CA ALA A 1 4.836 -1.644 12.700 1.00 0.00 C ATOM 3 C ALA A 1 4.174 -1.145 11.420 1.00 0.00 C ATOM 4 O ALA A 1 4.852 -0.789 10.457 1.00 0.00 O ATOM 5 CB ALA A 1 4.225 -2.982 13.119 1.00 0.00 C ATOM 0 H1 ALA A 1 5.087 -0.985 14.659 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.061 0.262 13.507 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.617 -0.513 13.952 1.00 0.00 H new ATOM 0 HA ALA A 1 5.902 -1.780 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.372 -3.714 12.325 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.709 -3.334 14.030 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.158 -2.854 13.301 1.00 0.00 H new ATOM 13 N LEU A 2 2.842 -1.120 11.415 1.00 0.00 N ATOM 14 CA LEU A 2 2.097 -0.663 10.241 1.00 0.00 C ATOM 15 C LEU A 2 1.891 0.847 10.298 1.00 0.00 C ATOM 16 O LEU A 2 0.984 1.336 10.972 1.00 0.00 O ATOM 17 CB LEU A 2 0.736 -1.371 10.182 1.00 0.00 C ATOM 18 CG LEU A 2 0.908 -2.816 9.681 1.00 0.00 C ATOM 19 CD1 LEU A 2 1.350 -2.833 8.199 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.952 -3.535 10.547 1.00 0.00 C ATOM 0 H LEU A 2 2.260 -1.408 12.202 1.00 0.00 H new ATOM 0 HA LEU A 2 2.670 -0.905 9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.276 -1.374 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.063 -0.827 9.519 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.049 -3.331 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.466 -3.864 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.596 -2.337 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.301 -2.310 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.075 -4.559 10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.905 -3.010 10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.618 -3.547 11.585 1.00 0.00 H new ATOM 32 N GLU A 3 2.740 1.577 9.574 1.00 0.00 N ATOM 33 CA GLU A 3 2.664 3.040 9.523 1.00 0.00 C ATOM 34 C GLU A 3 2.538 3.509 8.078 1.00 0.00 C ATOM 35 O GLU A 3 2.716 2.720 7.155 1.00 0.00 O ATOM 36 CB GLU A 3 3.918 3.646 10.163 1.00 0.00 C ATOM 37 CG GLU A 3 5.159 3.255 9.352 1.00 0.00 C ATOM 38 CD GLU A 3 6.415 3.753 10.059 1.00 0.00 C ATOM 39 OE1 GLU A 3 6.450 3.691 11.276 1.00 0.00 O ATOM 40 OE2 GLU A 3 7.325 4.189 9.373 1.00 0.00 O ATOM 0 H GLU A 3 3.492 1.178 9.012 1.00 0.00 H new ATOM 0 HA GLU A 3 1.785 3.369 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.827 4.731 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.019 3.295 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.202 2.172 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.100 3.682 8.351 1.00 0.00 H new ATOM 47 N ASN A 4 2.230 4.797 7.901 1.00 0.00 N ATOM 48 CA ASN A 4 2.081 5.393 6.567 1.00 0.00 C ATOM 49 C ASN A 4 0.685 5.114 5.993 1.00 0.00 C ATOM 50 O ASN A 4 -0.321 5.479 6.599 1.00 0.00 O ATOM 51 CB ASN A 4 3.171 4.862 5.620 1.00 0.00 C ATOM 52 CG ASN A 4 3.351 5.797 4.427 1.00 0.00 C ATOM 53 OD1 ASN A 4 3.272 7.018 4.567 1.00 0.00 O ATOM 54 ND2 ASN A 4 3.601 5.286 3.252 1.00 0.00 N ATOM 0 H ASN A 4 2.078 5.451 8.668 1.00 0.00 H new ATOM 0 HA ASN A 4 2.196 6.473 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.113 4.767 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.902 3.865 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.732 5.898 2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.666 4.274 3.139 1.00 0.00 H new ATOM 61 N LEU A 5 0.631 4.490 4.817 1.00 0.00 N ATOM 62 CA LEU A 5 -0.642 4.193 4.158 1.00 0.00 C ATOM 63 C LEU A 5 -1.581 3.366 5.052 1.00 0.00 C ATOM 64 O LEU A 5 -2.625 2.904 4.594 1.00 0.00 O ATOM 65 CB LEU A 5 -0.372 3.423 2.852 1.00 0.00 C ATOM 66 CG LEU A 5 -1.540 3.617 1.860 1.00 0.00 C ATOM 67 CD1 LEU A 5 -1.290 4.857 0.994 1.00 0.00 C ATOM 68 CD2 LEU A 5 -1.667 2.390 0.949 1.00 0.00 C ATOM 0 H LEU A 5 1.454 4.180 4.300 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.136 5.142 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.557 3.772 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.242 2.362 3.068 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.461 3.746 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.118 4.987 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.212 5.737 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.362 4.730 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.493 2.537 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.741 2.255 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.857 1.504 1.556 1.00 0.00 H new ATOM 80 N VAL A 6 -1.209 3.176 6.313 1.00 0.00 N ATOM 81 CA VAL A 6 -2.040 2.398 7.231 1.00 0.00 C ATOM 82 C VAL A 6 -3.353 3.123 7.533 1.00 0.00 C ATOM 83 O VAL A 6 -4.426 2.523 7.514 1.00 0.00 O ATOM 84 CB VAL A 6 -1.271 2.139 8.535 1.00 0.00 C ATOM 85 CG1 VAL A 6 -1.231 3.410 9.392 1.00 0.00 C ATOM 86 CG2 VAL A 6 -1.955 1.021 9.325 1.00 0.00 C ATOM 0 H VAL A 6 -0.350 3.544 6.721 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.279 1.447 6.755 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.252 1.844 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.683 3.211 10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.734 4.206 8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.248 3.717 9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.406 0.840 10.249 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.977 1.316 9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.969 0.109 8.728 1.00 0.00 H new ATOM 96 N VAL A 7 -3.248 4.414 7.831 1.00 0.00 N ATOM 97 CA VAL A 7 -4.420 5.219 8.165 1.00 0.00 C ATOM 98 C VAL A 7 -5.379 5.349 6.984 1.00 0.00 C ATOM 99 O VAL A 7 -6.594 5.300 7.160 1.00 0.00 O ATOM 100 CB VAL A 7 -3.976 6.613 8.614 1.00 0.00 C ATOM 101 CG1 VAL A 7 -3.311 7.341 7.445 1.00 0.00 C ATOM 102 CG2 VAL A 7 -5.196 7.408 9.087 1.00 0.00 C ATOM 0 H VAL A 7 -2.366 4.925 7.848 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.949 4.712 8.972 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.263 6.521 9.433 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.995 8.334 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.442 6.775 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.021 7.435 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.881 8.401 9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.910 7.500 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.666 6.890 9.922 1.00 0.00 H new ATOM 112 N LEU A 8 -4.834 5.542 5.791 1.00 0.00 N ATOM 113 CA LEU A 8 -5.668 5.708 4.605 1.00 0.00 C ATOM 114 C LEU A 8 -6.776 4.656 4.557 1.00 0.00 C ATOM 115 O LEU A 8 -7.953 4.974 4.732 1.00 0.00 O ATOM 116 CB LEU A 8 -4.810 5.596 3.342 1.00 0.00 C ATOM 117 CG LEU A 8 -5.639 5.965 2.100 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.015 7.460 2.127 1.00 0.00 C ATOM 119 CD2 LEU A 8 -4.815 5.658 0.843 1.00 0.00 C ATOM 0 H LEU A 8 -3.830 5.587 5.617 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.127 6.695 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.947 6.257 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.427 4.580 3.243 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.559 5.380 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.601 7.704 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.603 7.671 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.107 8.063 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.394 5.916 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.895 6.243 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.569 4.596 0.819 1.00 0.00 H new ATOM 131 N ASN A 9 -6.396 3.405 4.302 1.00 0.00 N ATOM 132 CA ASN A 9 -7.374 2.321 4.213 1.00 0.00 C ATOM 133 C ASN A 9 -8.038 2.054 5.561 1.00 0.00 C ATOM 134 O ASN A 9 -9.259 1.925 5.645 1.00 0.00 O ATOM 135 CB ASN A 9 -6.687 1.046 3.725 1.00 0.00 C ATOM 136 CG ASN A 9 -7.732 0.017 3.307 1.00 0.00 C ATOM 137 OD1 ASN A 9 -8.598 0.312 2.485 1.00 0.00 O ATOM 138 ND2 ASN A 9 -7.700 -1.182 3.825 1.00 0.00 N ATOM 0 H ASN A 9 -5.428 3.118 4.155 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.147 2.624 3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.033 1.275 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.058 0.637 4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.394 -1.876 3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.981 -1.424 4.506 1.00 0.00 H new ATOM 145 N ALA A 10 -7.230 1.965 6.611 1.00 0.00 N ATOM 146 CA ALA A 10 -7.759 1.699 7.945 1.00 0.00 C ATOM 147 C ALA A 10 -8.850 2.700 8.301 1.00 0.00 C ATOM 148 O ALA A 10 -9.918 2.321 8.778 1.00 0.00 O ATOM 149 CB ALA A 10 -6.634 1.778 8.978 1.00 0.00 C ATOM 0 H ALA A 10 -6.217 2.072 6.567 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.188 0.697 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.037 1.578 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.870 1.038 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.192 2.774 8.959 1.00 0.00 H new ATOM 155 N ALA A 11 -8.573 3.978 8.076 1.00 0.00 N ATOM 156 CA ALA A 11 -9.542 5.020 8.387 1.00 0.00 C ATOM 157 C ALA A 11 -10.837 4.806 7.609 1.00 0.00 C ATOM 158 O ALA A 11 -11.929 4.951 8.157 1.00 0.00 O ATOM 159 CB ALA A 11 -8.963 6.392 8.038 1.00 0.00 C ATOM 0 H ALA A 11 -7.694 4.315 7.683 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.761 4.974 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.694 7.166 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.055 6.562 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.727 6.427 6.974 1.00 0.00 H new ATOM 165 N SER A 12 -10.708 4.459 6.332 1.00 0.00 N ATOM 166 CA SER A 12 -11.882 4.225 5.498 1.00 0.00 C ATOM 167 C SER A 12 -12.684 3.040 6.024 1.00 0.00 C ATOM 168 O SER A 12 -13.909 3.093 6.111 1.00 0.00 O ATOM 169 CB SER A 12 -11.451 3.955 4.057 1.00 0.00 C ATOM 170 OG SER A 12 -10.737 5.079 3.560 1.00 0.00 O ATOM 0 H SER A 12 -9.814 4.335 5.857 1.00 0.00 H new ATOM 0 HA SER A 12 -12.511 5.115 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.824 3.064 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.325 3.761 3.435 1.00 0.00 H new ATOM 0 HG SER A 12 -9.822 5.067 3.911 1.00 0.00 H new ATOM 176 N VAL A 13 -11.975 1.970 6.374 1.00 0.00 N ATOM 177 CA VAL A 13 -12.620 0.770 6.893 1.00 0.00 C ATOM 178 C VAL A 13 -13.208 1.030 8.278 1.00 0.00 C ATOM 179 O VAL A 13 -14.319 0.600 8.584 1.00 0.00 O ATOM 180 CB VAL A 13 -11.610 -0.377 6.970 1.00 0.00 C ATOM 181 CG1 VAL A 13 -12.277 -1.609 7.584 1.00 0.00 C ATOM 182 CG2 VAL A 13 -11.120 -0.713 5.559 1.00 0.00 C ATOM 0 H VAL A 13 -10.959 1.910 6.308 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.428 0.495 6.215 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.766 -0.077 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.556 -2.424 7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.630 -1.370 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.122 -1.912 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.400 -1.530 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.967 -1.013 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.644 0.164 5.121 1.00 0.00 H new ATOM 192 N ALA A 14 -12.443 1.729 9.110 1.00 0.00 N ATOM 193 CA ALA A 14 -12.881 2.033 10.469 1.00 0.00 C ATOM 194 C ALA A 14 -14.337 2.491 10.474 1.00 0.00 C ATOM 195 O ALA A 14 -15.178 1.896 11.149 1.00 0.00 O ATOM 196 CB ALA A 14 -11.994 3.126 11.071 1.00 0.00 C ATOM 0 H ALA A 14 -11.521 2.094 8.870 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.797 1.127 11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.327 3.347 12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.960 2.783 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.063 4.027 10.462 1.00 0.00 H new ATOM 202 N GLY A 15 -14.634 3.548 9.715 1.00 0.00 N ATOM 203 CA GLY A 15 -15.999 4.076 9.634 1.00 0.00 C ATOM 204 C GLY A 15 -16.024 5.573 9.921 1.00 0.00 C ATOM 205 O GLY A 15 -15.896 6.393 9.012 1.00 0.00 O ATOM 0 H GLY A 15 -13.952 4.054 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.408 3.886 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.637 3.555 10.347 1.00 0.00 H new ATOM 209 N ALA A 16 -16.199 5.924 11.192 1.00 0.00 N ATOM 210 CA ALA A 16 -16.251 7.328 11.586 1.00 0.00 C ATOM 211 C ALA A 16 -14.953 8.040 11.218 1.00 0.00 C ATOM 212 O ALA A 16 -14.974 9.174 10.750 1.00 0.00 O ATOM 213 CB ALA A 16 -16.484 7.437 13.094 1.00 0.00 C ATOM 0 H ALA A 16 -16.306 5.262 11.960 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.075 7.804 11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.522 8.488 13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.428 6.956 13.352 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.669 6.945 13.625 1.00 0.00 H new ATOM 219 N HIS A 17 -13.826 7.369 11.425 1.00 0.00 N ATOM 220 CA HIS A 17 -12.527 7.958 11.107 1.00 0.00 C ATOM 221 C HIS A 17 -12.481 8.415 9.648 1.00 0.00 C ATOM 222 O HIS A 17 -11.499 9.013 9.206 1.00 0.00 O ATOM 223 CB HIS A 17 -11.417 6.932 11.365 1.00 0.00 C ATOM 224 CG HIS A 17 -10.082 7.626 11.425 1.00 0.00 C ATOM 225 ND1 HIS A 17 -9.967 8.986 11.667 1.00 0.00 N ATOM 226 CD2 HIS A 17 -8.797 7.163 11.275 1.00 0.00 C ATOM 227 CE1 HIS A 17 -8.655 9.291 11.654 1.00 0.00 C ATOM 228 NE2 HIS A 17 -7.899 8.216 11.420 1.00 0.00 N ATOM 0 H HIS A 17 -13.783 6.425 11.808 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.375 8.828 11.746 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.606 6.406 12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.412 6.182 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.525 6.137 11.075 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.262 10.284 11.813 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.882 8.175 11.360 1.00 0.00 H new ATOM 236 N GLY A 18 -13.554 8.142 8.909 1.00 0.00 N ATOM 237 CA GLY A 18 -13.630 8.545 7.507 1.00 0.00 C ATOM 238 C GLY A 18 -13.890 10.047 7.385 1.00 0.00 C ATOM 239 O GLY A 18 -13.183 10.756 6.671 1.00 0.00 O ATOM 0 H GLY A 18 -14.377 7.647 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.699 8.291 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.426 7.992 7.008 1.00 0.00 H new ATOM 243 N ILE A 19 -14.913 10.519 8.093 1.00 0.00 N ATOM 244 CA ILE A 19 -15.273 11.935 8.066 1.00 0.00 C ATOM 245 C ILE A 19 -14.030 12.809 8.212 1.00 0.00 C ATOM 246 O ILE A 19 -14.057 14.000 7.899 1.00 0.00 O ATOM 247 CB ILE A 19 -16.259 12.257 9.202 1.00 0.00 C ATOM 248 CG1 ILE A 19 -16.890 13.633 8.954 1.00 0.00 C ATOM 249 CG2 ILE A 19 -15.522 12.278 10.552 1.00 0.00 C ATOM 250 CD1 ILE A 19 -18.015 13.870 9.966 1.00 0.00 C ATOM 0 H ILE A 19 -15.506 9.944 8.691 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.745 12.146 7.106 1.00 0.00 H new ATOM 0 HB ILE A 19 -17.034 11.490 9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.134 14.413 9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.283 13.687 7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.229 12.507 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -15.071 11.303 10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -14.742 13.039 10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -18.463 14.848 9.790 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -18.775 13.097 9.853 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -17.609 13.834 10.977 1.00 0.00 H new ATOM 262 N LEU A 20 -12.946 12.211 8.690 1.00 0.00 N ATOM 263 CA LEU A 20 -11.706 12.950 8.874 1.00 0.00 C ATOM 264 C LEU A 20 -11.171 13.414 7.517 1.00 0.00 C ATOM 265 O LEU A 20 -10.717 14.549 7.369 1.00 0.00 O ATOM 266 CB LEU A 20 -10.664 12.063 9.586 1.00 0.00 C ATOM 267 CG LEU A 20 -9.748 12.921 10.484 1.00 0.00 C ATOM 268 CD1 LEU A 20 -9.116 14.050 9.659 1.00 0.00 C ATOM 269 CD2 LEU A 20 -10.558 13.514 11.666 1.00 0.00 C ATOM 0 H LEU A 20 -12.901 11.227 8.954 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.900 13.826 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.170 11.309 10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.064 11.531 8.847 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.956 12.289 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.471 14.651 10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.526 13.622 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.902 14.680 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.900 14.117 12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.363 14.138 11.278 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.981 12.704 12.260 1.00 0.00 H new ATOM 281 N SER A 21 -11.231 12.519 6.532 1.00 0.00 N ATOM 282 CA SER A 21 -10.754 12.840 5.191 1.00 0.00 C ATOM 283 C SER A 21 -11.689 13.837 4.520 1.00 0.00 C ATOM 284 O SER A 21 -11.244 14.770 3.856 1.00 0.00 O ATOM 285 CB SER A 21 -10.665 11.570 4.345 1.00 0.00 C ATOM 286 OG SER A 21 -11.947 10.959 4.273 1.00 0.00 O ATOM 0 H SER A 21 -11.602 11.575 6.637 1.00 0.00 H new ATOM 0 HA SER A 21 -9.762 13.285 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.308 11.811 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.945 10.879 4.782 1.00 0.00 H new ATOM 0 HG SER A 21 -12.284 10.798 5.179 1.00 0.00 H new ATOM 292 N PHE A 22 -12.989 13.628 4.698 1.00 0.00 N ATOM 293 CA PHE A 22 -13.990 14.509 4.106 1.00 0.00 C ATOM 294 C PHE A 22 -13.906 15.905 4.714 1.00 0.00 C ATOM 295 O PHE A 22 -14.439 16.869 4.165 1.00 0.00 O ATOM 296 CB PHE A 22 -15.391 13.934 4.315 1.00 0.00 C ATOM 297 CG PHE A 22 -15.556 12.692 3.472 1.00 0.00 C ATOM 298 CD1 PHE A 22 -15.948 12.805 2.133 1.00 0.00 C ATOM 299 CD2 PHE A 22 -15.322 11.429 4.027 1.00 0.00 C ATOM 300 CE1 PHE A 22 -16.104 11.656 1.349 1.00 0.00 C ATOM 301 CE2 PHE A 22 -15.477 10.279 3.243 1.00 0.00 C ATOM 302 CZ PHE A 22 -15.868 10.393 1.904 1.00 0.00 C ATOM 0 H PHE A 22 -13.374 12.858 5.246 1.00 0.00 H new ATOM 0 HA PHE A 22 -13.791 14.582 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -15.544 13.695 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -16.144 14.674 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -16.130 13.779 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -15.022 11.341 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -16.406 11.744 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.295 9.305 3.671 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.988 9.506 1.299 1.00 0.00 H new ATOM 312 N LEU A 23 -13.234 15.998 5.854 1.00 0.00 N ATOM 313 CA LEU A 23 -13.084 17.277 6.538 1.00 0.00 C ATOM 314 C LEU A 23 -12.575 18.346 5.570 1.00 0.00 C ATOM 315 O LEU A 23 -12.973 19.507 5.654 1.00 0.00 O ATOM 316 CB LEU A 23 -12.099 17.138 7.709 1.00 0.00 C ATOM 317 CG LEU A 23 -12.284 18.307 8.701 1.00 0.00 C ATOM 318 CD1 LEU A 23 -13.384 17.977 9.715 1.00 0.00 C ATOM 319 CD2 LEU A 23 -10.972 18.556 9.455 1.00 0.00 C ATOM 0 H LEU A 23 -12.787 15.210 6.322 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.060 17.578 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.261 16.189 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.076 17.128 7.334 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.567 19.197 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.503 18.810 10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.323 17.805 9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.110 17.080 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.105 19.381 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.692 17.657 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.185 18.807 8.743 1.00 0.00 H new ATOM 331 N VAL A 24 -11.700 17.946 4.650 1.00 0.00 N ATOM 332 CA VAL A 24 -11.155 18.881 3.667 1.00 0.00 C ATOM 333 C VAL A 24 -12.216 19.242 2.625 1.00 0.00 C ATOM 334 O VAL A 24 -12.319 20.392 2.200 1.00 0.00 O ATOM 335 CB VAL A 24 -9.927 18.270 2.979 1.00 0.00 C ATOM 336 CG1 VAL A 24 -9.018 17.636 4.035 1.00 0.00 C ATOM 337 CG2 VAL A 24 -10.369 17.197 1.976 1.00 0.00 C ATOM 0 H VAL A 24 -11.355 16.990 4.564 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.853 19.791 4.186 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.385 19.053 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.145 17.201 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.697 18.399 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.565 16.856 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.492 16.768 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.915 16.412 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.015 17.647 1.223 1.00 0.00 H new ATOM 347 N PHE A 25 -12.997 18.243 2.220 1.00 0.00 N ATOM 348 CA PHE A 25 -14.046 18.457 1.226 1.00 0.00 C ATOM 349 C PHE A 25 -15.105 19.421 1.757 1.00 0.00 C ATOM 350 O PHE A 25 -15.522 20.341 1.053 1.00 0.00 O ATOM 351 CB PHE A 25 -14.696 17.113 0.843 1.00 0.00 C ATOM 352 CG PHE A 25 -13.876 16.419 -0.227 1.00 0.00 C ATOM 353 CD1 PHE A 25 -14.144 16.674 -1.578 1.00 0.00 C ATOM 354 CD2 PHE A 25 -12.857 15.528 0.128 1.00 0.00 C ATOM 355 CE1 PHE A 25 -13.393 16.036 -2.573 1.00 0.00 C ATOM 356 CE2 PHE A 25 -12.107 14.890 -0.866 1.00 0.00 C ATOM 357 CZ PHE A 25 -12.374 15.144 -2.216 1.00 0.00 C ATOM 0 H PHE A 25 -12.925 17.285 2.562 1.00 0.00 H new ATOM 0 HA PHE A 25 -13.594 18.898 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.773 16.475 1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -15.710 17.282 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.930 17.362 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.649 15.333 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -13.599 16.232 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.322 14.201 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.794 14.652 -2.983 1.00 0.00 H new ATOM 367 N PHE A 26 -15.532 19.214 2.999 1.00 0.00 N ATOM 368 CA PHE A 26 -16.536 20.083 3.600 1.00 0.00 C ATOM 369 C PHE A 26 -15.976 21.484 3.810 1.00 0.00 C ATOM 370 O PHE A 26 -16.652 22.478 3.548 1.00 0.00 O ATOM 371 CB PHE A 26 -17.006 19.502 4.942 1.00 0.00 C ATOM 372 CG PHE A 26 -17.985 18.373 4.697 1.00 0.00 C ATOM 373 CD1 PHE A 26 -19.269 18.665 4.222 1.00 0.00 C ATOM 374 CD2 PHE A 26 -17.616 17.045 4.946 1.00 0.00 C ATOM 375 CE1 PHE A 26 -20.184 17.631 3.996 1.00 0.00 C ATOM 376 CE2 PHE A 26 -18.532 16.010 4.720 1.00 0.00 C ATOM 377 CZ PHE A 26 -19.816 16.303 4.245 1.00 0.00 C ATOM 0 H PHE A 26 -15.202 18.461 3.603 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.386 20.145 2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.151 19.137 5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.478 20.281 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.553 19.689 4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.625 16.819 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.174 17.857 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.248 14.986 4.912 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.523 15.505 4.071 1.00 0.00 H new ATOM 387 N SER A 27 -14.736 21.557 4.288 1.00 0.00 N ATOM 388 CA SER A 27 -14.106 22.847 4.535 1.00 0.00 C ATOM 389 C SER A 27 -14.158 23.713 3.286 1.00 0.00 C ATOM 390 O SER A 27 -14.472 24.902 3.359 1.00 0.00 O ATOM 391 CB SER A 27 -12.649 22.641 4.952 1.00 0.00 C ATOM 392 OG SER A 27 -12.604 21.810 6.103 1.00 0.00 O ATOM 0 H SER A 27 -14.155 20.748 4.509 1.00 0.00 H new ATOM 0 HA SER A 27 -14.648 23.350 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.086 22.185 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.180 23.602 5.164 1.00 0.00 H new ATOM 0 HG SER A 27 -12.557 20.871 5.827 1.00 0.00 H new ATOM 398 N ALA A 28 -13.861 23.112 2.138 1.00 0.00 N ATOM 399 CA ALA A 28 -13.892 23.844 0.880 1.00 0.00 C ATOM 400 C ALA A 28 -15.332 24.092 0.444 1.00 0.00 C ATOM 401 O ALA A 28 -15.663 25.170 -0.051 1.00 0.00 O ATOM 402 CB ALA A 28 -13.151 23.058 -0.201 1.00 0.00 C ATOM 0 H ALA A 28 -13.599 22.130 2.054 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.399 24.805 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.179 23.613 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.114 22.911 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.630 22.089 -0.339 1.00 0.00 H new ATOM 408 N ALA A 29 -16.183 23.085 0.625 1.00 0.00 N ATOM 409 CA ALA A 29 -17.584 23.203 0.238 1.00 0.00 C ATOM 410 C ALA A 29 -18.267 24.330 1.005 1.00 0.00 C ATOM 411 O ALA A 29 -18.896 25.198 0.408 1.00 0.00 O ATOM 412 CB ALA A 29 -18.313 21.887 0.511 1.00 0.00 C ATOM 0 H ALA A 29 -15.929 22.186 1.034 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.625 23.431 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.359 21.983 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.848 21.087 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.253 21.651 1.574 1.00 0.00 H new ATOM 418 N TRP A 30 -18.132 24.311 2.327 1.00 0.00 N ATOM 419 CA TRP A 30 -18.745 25.340 3.163 1.00 0.00 C ATOM 420 C TRP A 30 -18.352 26.734 2.675 1.00 0.00 C ATOM 421 O TRP A 30 -19.089 27.702 2.874 1.00 0.00 O ATOM 422 CB TRP A 30 -18.316 25.161 4.629 1.00 0.00 C ATOM 423 CG TRP A 30 -19.091 24.038 5.251 1.00 0.00 C ATOM 424 CD1 TRP A 30 -18.560 22.882 5.713 1.00 0.00 C ATOM 425 CD2 TRP A 30 -20.528 23.949 5.478 1.00 0.00 C ATOM 426 NE1 TRP A 30 -19.580 22.090 6.210 1.00 0.00 N ATOM 427 CE2 TRP A 30 -20.810 22.704 6.087 1.00 0.00 C ATOM 428 CE3 TRP A 30 -21.602 24.819 5.217 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -22.113 22.334 6.425 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -22.914 24.449 5.557 1.00 0.00 C ATOM 431 CH2 TRP A 30 -23.169 23.209 6.160 1.00 0.00 C ATOM 0 H TRP A 30 -17.609 23.602 2.840 1.00 0.00 H new ATOM 0 HA TRP A 30 -19.828 25.237 3.093 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.248 24.951 4.682 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -18.487 26.084 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -17.512 22.621 5.696 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -19.440 21.165 6.617 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -21.417 25.776 4.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -22.303 21.377 6.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -23.732 25.124 5.353 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -24.180 22.931 6.419 1.00 0.00 H new ATOM 442 N TYR A 31 -17.191 26.829 2.042 1.00 0.00 N ATOM 443 CA TYR A 31 -16.709 28.108 1.533 1.00 0.00 C ATOM 444 C TYR A 31 -17.513 28.537 0.297 1.00 0.00 C ATOM 445 O TYR A 31 -17.471 29.701 -0.104 1.00 0.00 O ATOM 446 CB TYR A 31 -15.196 28.000 1.196 1.00 0.00 C ATOM 447 CG TYR A 31 -14.377 28.852 2.154 1.00 0.00 C ATOM 448 CD1 TYR A 31 -14.543 30.243 2.158 1.00 0.00 C ATOM 449 CD2 TYR A 31 -13.464 28.254 3.031 1.00 0.00 C ATOM 450 CE1 TYR A 31 -13.797 31.034 3.040 1.00 0.00 C ATOM 451 CE2 TYR A 31 -12.719 29.046 3.913 1.00 0.00 C ATOM 452 CZ TYR A 31 -12.886 30.435 3.917 1.00 0.00 C ATOM 453 OH TYR A 31 -12.150 31.216 4.787 1.00 0.00 O ATOM 0 H TYR A 31 -16.567 26.041 1.869 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.846 28.869 2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.876 26.960 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.021 28.325 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -15.246 30.705 1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.334 27.182 3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.925 32.106 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.015 28.585 4.590 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.566 30.643 5.327 1.00 0.00 H new ATOM 463 N ILE A 32 -18.229 27.594 -0.309 1.00 0.00 N ATOM 464 CA ILE A 32 -19.014 27.902 -1.504 1.00 0.00 C ATOM 465 C ILE A 32 -19.939 29.093 -1.251 1.00 0.00 C ATOM 466 O ILE A 32 -19.976 30.038 -2.039 1.00 0.00 O ATOM 467 CB ILE A 32 -19.837 26.674 -1.926 1.00 0.00 C ATOM 468 CG1 ILE A 32 -20.389 26.884 -3.342 1.00 0.00 C ATOM 469 CG2 ILE A 32 -21.010 26.459 -0.959 1.00 0.00 C ATOM 470 CD1 ILE A 32 -20.986 25.571 -3.853 1.00 0.00 C ATOM 0 H ILE A 32 -18.283 26.624 0.001 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.328 28.164 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.189 25.798 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.150 27.664 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.594 27.219 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.583 25.586 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.626 26.300 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.654 27.338 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.379 25.717 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.212 24.803 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.792 25.256 -3.191 1.00 0.00 H new ATOM 482 N LYS A 33 -20.686 29.036 -0.155 1.00 0.00 N ATOM 483 CA LYS A 33 -21.610 30.112 0.183 1.00 0.00 C ATOM 484 C LYS A 33 -20.845 31.413 0.418 1.00 0.00 C ATOM 485 O LYS A 33 -21.227 32.465 -0.095 1.00 0.00 O ATOM 486 CB LYS A 33 -22.430 29.740 1.432 1.00 0.00 C ATOM 487 CG LYS A 33 -21.558 28.956 2.420 1.00 0.00 C ATOM 488 CD LYS A 33 -22.329 28.719 3.727 1.00 0.00 C ATOM 489 CE LYS A 33 -23.388 27.622 3.542 1.00 0.00 C ATOM 490 NZ LYS A 33 -22.788 26.432 2.874 1.00 0.00 N ATOM 0 H LYS A 33 -20.671 28.263 0.510 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.295 30.258 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -22.811 30.643 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -23.295 29.142 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -21.266 28.001 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -20.640 29.507 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -21.635 28.432 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -22.809 29.645 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -23.798 27.336 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -24.216 28.004 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -23.125 26.378 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.751 26.516 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -23.068 25.570 3.384 1.00 0.00 H new ATOM 504 N GLY A 34 -19.767 31.339 1.198 1.00 0.00 N ATOM 505 CA GLY A 34 -18.961 32.524 1.496 1.00 0.00 C ATOM 506 C GLY A 34 -19.326 33.097 2.858 1.00 0.00 C ATOM 507 O GLY A 34 -18.906 34.199 3.211 1.00 0.00 O ATOM 0 H GLY A 34 -19.433 30.479 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.903 32.264 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.117 33.279 0.725 1.00 0.00 H new ATOM 511 N ARG A 35 -20.102 32.339 3.624 1.00 0.00 N ATOM 512 CA ARG A 35 -20.506 32.776 4.953 1.00 0.00 C ATOM 513 C ARG A 35 -19.376 32.553 5.949 1.00 0.00 C ATOM 514 O ARG A 35 -19.394 33.091 7.056 1.00 0.00 O ATOM 515 CB ARG A 35 -21.755 32.011 5.412 1.00 0.00 C ATOM 516 CG ARG A 35 -22.203 32.512 6.808 1.00 0.00 C ATOM 517 CD ARG A 35 -21.617 31.634 7.938 1.00 0.00 C ATOM 518 NE ARG A 35 -22.629 30.685 8.405 1.00 0.00 N ATOM 519 CZ ARG A 35 -22.698 29.439 7.951 1.00 0.00 C ATOM 520 NH1 ARG A 35 -21.858 29.027 7.042 1.00 0.00 N ATOM 521 NH2 ARG A 35 -23.608 28.625 8.413 1.00 0.00 N ATOM 0 H ARG A 35 -20.462 31.425 3.349 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.738 33.840 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.561 32.149 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -21.543 30.943 5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -21.883 33.545 6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.291 32.505 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -20.741 31.096 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.286 32.263 8.765 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.305 30.992 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.147 29.662 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.912 28.070 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.266 28.946 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.661 27.668 8.064 1.00 0.00 H new ATOM 535 N LEU A 36 -18.392 31.750 5.549 1.00 0.00 N ATOM 536 CA LEU A 36 -17.261 31.456 6.421 1.00 0.00 C ATOM 537 C LEU A 36 -16.336 32.667 6.512 1.00 0.00 C ATOM 538 O LEU A 36 -15.199 32.556 6.974 1.00 0.00 O ATOM 539 CB LEU A 36 -16.476 30.244 5.888 1.00 0.00 C ATOM 540 CG LEU A 36 -15.695 29.570 7.040 1.00 0.00 C ATOM 541 CD1 LEU A 36 -16.579 28.524 7.730 1.00 0.00 C ATOM 542 CD2 LEU A 36 -14.438 28.880 6.487 1.00 0.00 C ATOM 0 H LEU A 36 -18.356 31.296 4.636 1.00 0.00 H new ATOM 0 HA LEU A 36 -17.643 31.223 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.161 29.528 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.785 30.563 5.107 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.405 30.335 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.022 28.054 8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.468 29.008 8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.877 27.765 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.893 28.408 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.729 28.123 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.799 29.620 6.005 1.00 0.00 H new ATOM 554 N ALA A 37 -16.824 33.815 6.049 1.00 0.00 N ATOM 555 CA ALA A 37 -16.030 35.038 6.068 1.00 0.00 C ATOM 556 C ALA A 37 -15.375 35.229 7.442 1.00 0.00 C ATOM 557 O ALA A 37 -15.561 34.412 8.342 1.00 0.00 O ATOM 558 CB ALA A 37 -16.934 36.246 5.725 1.00 0.00 C ATOM 0 H ALA A 37 -17.760 33.923 5.658 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.238 34.963 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.341 37.160 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.365 36.108 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.735 36.322 6.461 1.00 0.00 H new ATOM 564 N PRO A 38 -14.627 36.290 7.624 1.00 0.00 N ATOM 565 CA PRO A 38 -13.949 36.569 8.925 1.00 0.00 C ATOM 566 C PRO A 38 -14.956 36.708 10.067 1.00 0.00 C ATOM 567 O PRO A 38 -16.080 37.167 9.861 1.00 0.00 O ATOM 568 CB PRO A 38 -13.185 37.887 8.674 1.00 0.00 C ATOM 569 CG PRO A 38 -13.081 38.000 7.186 1.00 0.00 C ATOM 570 CD PRO A 38 -14.337 37.336 6.628 1.00 0.00 C ATOM 0 HA PRO A 38 -13.288 35.758 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.718 38.738 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.199 37.865 9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.020 39.043 6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.182 37.506 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.160 38.044 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.165 36.914 5.638 1.00 0.00 H new ATOM 578 N GLY A 39 -14.545 36.311 11.270 1.00 0.00 N ATOM 579 CA GLY A 39 -15.421 36.400 12.436 1.00 0.00 C ATOM 580 C GLY A 39 -15.075 35.320 13.458 1.00 0.00 C ATOM 581 O GLY A 39 -13.918 35.168 13.848 1.00 0.00 O ATOM 0 H GLY A 39 -13.619 35.928 11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.325 37.384 12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.460 36.293 12.125 1.00 0.00 H new ATOM 585 N ALA A 40 -16.089 34.574 13.892 1.00 0.00 N ATOM 586 CA ALA A 40 -15.887 33.504 14.872 1.00 0.00 C ATOM 587 C ALA A 40 -15.735 32.152 14.180 1.00 0.00 C ATOM 588 O ALA A 40 -15.381 31.158 14.813 1.00 0.00 O ATOM 589 CB ALA A 40 -17.075 33.453 15.835 1.00 0.00 C ATOM 0 H ALA A 40 -17.055 34.688 13.584 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.972 33.716 15.426 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.920 32.656 16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.163 34.407 16.356 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.990 33.260 15.274 1.00 0.00 H new ATOM 595 N ALA A 41 -16.013 32.119 12.879 1.00 0.00 N ATOM 596 CA ALA A 41 -15.913 30.877 12.113 1.00 0.00 C ATOM 597 C ALA A 41 -14.475 30.618 11.674 1.00 0.00 C ATOM 598 O ALA A 41 -13.807 29.727 12.199 1.00 0.00 O ATOM 599 CB ALA A 41 -16.817 30.951 10.881 1.00 0.00 C ATOM 0 H ALA A 41 -16.307 32.931 12.336 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.232 30.056 12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.738 30.023 10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -17.850 31.097 11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -16.508 31.786 10.253 1.00 0.00 H new ATOM 605 N TYR A 42 -14.005 31.398 10.706 1.00 0.00 N ATOM 606 CA TYR A 42 -12.648 31.238 10.196 1.00 0.00 C ATOM 607 C TYR A 42 -11.653 31.125 11.358 1.00 0.00 C ATOM 608 O TYR A 42 -10.540 30.628 11.191 1.00 0.00 O ATOM 609 CB TYR A 42 -12.289 32.437 9.278 1.00 0.00 C ATOM 610 CG TYR A 42 -11.566 33.519 10.064 1.00 0.00 C ATOM 611 CD1 TYR A 42 -12.261 34.278 11.014 1.00 0.00 C ATOM 612 CD2 TYR A 42 -10.199 33.742 9.854 1.00 0.00 C ATOM 613 CE1 TYR A 42 -11.589 35.258 11.754 1.00 0.00 C ATOM 614 CE2 TYR A 42 -9.528 34.722 10.595 1.00 0.00 C ATOM 615 CZ TYR A 42 -10.223 35.481 11.545 1.00 0.00 C ATOM 616 OH TYR A 42 -9.561 36.447 12.274 1.00 0.00 O ATOM 0 H TYR A 42 -14.540 32.143 10.261 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.591 30.320 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.660 32.096 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.197 32.847 8.836 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.315 34.107 11.176 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.663 33.158 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.125 35.843 12.487 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.474 34.893 10.434 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.619 36.471 12.006 1.00 0.00 H new ATOM 626 N ALA A 43 -12.065 31.602 12.527 1.00 0.00 N ATOM 627 CA ALA A 43 -11.202 31.564 13.700 1.00 0.00 C ATOM 628 C ALA A 43 -10.772 30.132 14.010 1.00 0.00 C ATOM 629 O ALA A 43 -9.734 29.671 13.536 1.00 0.00 O ATOM 630 CB ALA A 43 -11.936 32.153 14.906 1.00 0.00 C ATOM 0 H ALA A 43 -12.983 32.016 12.687 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.312 32.157 13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.285 32.121 15.779 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.211 33.187 14.696 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.836 31.571 15.104 1.00 0.00 H new ATOM 636 N PHE A 44 -11.576 29.433 14.806 1.00 0.00 N ATOM 637 CA PHE A 44 -11.268 28.053 15.165 1.00 0.00 C ATOM 638 C PHE A 44 -11.299 27.144 13.940 1.00 0.00 C ATOM 639 O PHE A 44 -10.416 26.309 13.752 1.00 0.00 O ATOM 640 CB PHE A 44 -12.273 27.549 16.204 1.00 0.00 C ATOM 641 CG PHE A 44 -11.973 26.106 16.538 1.00 0.00 C ATOM 642 CD1 PHE A 44 -10.905 25.790 17.386 1.00 0.00 C ATOM 643 CD2 PHE A 44 -12.763 25.085 15.997 1.00 0.00 C ATOM 644 CE1 PHE A 44 -10.627 24.453 17.694 1.00 0.00 C ATOM 645 CE2 PHE A 44 -12.486 23.747 16.306 1.00 0.00 C ATOM 646 CZ PHE A 44 -11.418 23.431 17.154 1.00 0.00 C ATOM 0 H PHE A 44 -12.439 29.796 15.212 1.00 0.00 H new ATOM 0 HA PHE A 44 -10.262 28.029 15.584 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -12.218 28.161 17.105 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -13.288 27.640 15.818 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.295 26.578 17.803 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -13.586 25.329 15.341 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.803 24.210 18.348 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.096 22.959 15.890 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.204 22.399 17.392 1.00 0.00 H new ATOM 656 N TYR A 45 -12.334 27.304 13.120 1.00 0.00 N ATOM 657 CA TYR A 45 -12.484 26.480 11.925 1.00 0.00 C ATOM 658 C TYR A 45 -11.278 26.647 11.005 1.00 0.00 C ATOM 659 O TYR A 45 -11.056 25.841 10.102 1.00 0.00 O ATOM 660 CB TYR A 45 -13.767 26.872 11.174 1.00 0.00 C ATOM 661 CG TYR A 45 -14.208 25.727 10.286 1.00 0.00 C ATOM 662 CD1 TYR A 45 -13.709 25.609 8.984 1.00 0.00 C ATOM 663 CD2 TYR A 45 -15.112 24.780 10.778 1.00 0.00 C ATOM 664 CE1 TYR A 45 -14.117 24.544 8.171 1.00 0.00 C ATOM 665 CE2 TYR A 45 -15.521 23.715 9.965 1.00 0.00 C ATOM 666 CZ TYR A 45 -15.023 23.597 8.662 1.00 0.00 C ATOM 667 OH TYR A 45 -15.425 22.547 7.863 1.00 0.00 O ATOM 0 H TYR A 45 -13.075 27.991 13.259 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.550 25.436 12.231 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -14.556 27.118 11.885 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -13.590 27.764 10.573 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.009 26.339 8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.494 24.870 11.784 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.733 24.454 7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.221 22.985 10.344 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.055 21.982 8.358 1.00 0.00 H new ATOM 677 N GLY A 46 -10.501 27.699 11.241 1.00 0.00 N ATOM 678 CA GLY A 46 -9.319 27.963 10.429 1.00 0.00 C ATOM 679 C GLY A 46 -8.211 26.959 10.736 1.00 0.00 C ATOM 680 O GLY A 46 -7.039 27.208 10.453 1.00 0.00 O ATOM 0 H GLY A 46 -10.667 28.379 11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.580 27.910 9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.961 28.975 10.619 1.00 0.00 H new ATOM 684 N VAL A 47 -8.590 25.817 11.314 1.00 0.00 N ATOM 685 CA VAL A 47 -7.621 24.775 11.658 1.00 0.00 C ATOM 686 C VAL A 47 -7.608 23.678 10.593 1.00 0.00 C ATOM 687 O VAL A 47 -8.069 22.562 10.825 1.00 0.00 O ATOM 688 CB VAL A 47 -7.977 24.173 13.027 1.00 0.00 C ATOM 689 CG1 VAL A 47 -9.335 23.427 12.957 1.00 0.00 C ATOM 690 CG2 VAL A 47 -6.861 23.211 13.461 1.00 0.00 C ATOM 0 H VAL A 47 -9.556 25.591 11.552 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.627 25.221 11.704 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.070 24.975 13.759 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.571 23.007 13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.119 24.125 12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.271 22.623 12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.108 22.781 14.432 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.762 22.413 12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.920 23.755 13.535 1.00 0.00 H new ATOM 700 N TRP A 48 -7.060 24.002 9.424 1.00 0.00 N ATOM 701 CA TRP A 48 -6.960 23.045 8.324 1.00 0.00 C ATOM 702 C TRP A 48 -5.547 22.446 8.220 1.00 0.00 C ATOM 703 O TRP A 48 -5.397 21.291 7.830 1.00 0.00 O ATOM 704 CB TRP A 48 -7.313 23.736 7.005 1.00 0.00 C ATOM 705 CG TRP A 48 -8.569 24.531 7.173 1.00 0.00 C ATOM 706 CD1 TRP A 48 -9.739 24.044 7.646 1.00 0.00 C ATOM 707 CD2 TRP A 48 -8.800 25.938 6.876 1.00 0.00 C ATOM 708 NE1 TRP A 48 -10.674 25.063 7.657 1.00 0.00 N ATOM 709 CE2 TRP A 48 -10.143 26.250 7.192 1.00 0.00 C ATOM 710 CE3 TRP A 48 -7.981 26.963 6.369 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -10.656 27.535 7.012 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -8.496 28.258 6.185 1.00 0.00 C ATOM 713 CH2 TRP A 48 -9.830 28.543 6.507 1.00 0.00 C ATOM 0 H TRP A 48 -6.677 24.924 9.213 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.661 22.234 8.524 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.497 24.389 6.695 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.444 22.993 6.218 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.914 23.027 7.963 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.638 24.951 7.970 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.951 26.754 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.685 27.749 7.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.860 29.038 5.793 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.219 29.540 6.365 1.00 0.00 H new ATOM 724 N PRO A 49 -4.503 23.196 8.525 1.00 0.00 N ATOM 725 CA PRO A 49 -3.109 22.681 8.409 1.00 0.00 C ATOM 726 C PRO A 49 -2.724 21.761 9.570 1.00 0.00 C ATOM 727 O PRO A 49 -1.840 20.916 9.432 1.00 0.00 O ATOM 728 CB PRO A 49 -2.250 23.956 8.383 1.00 0.00 C ATOM 729 CG PRO A 49 -3.050 24.992 9.117 1.00 0.00 C ATOM 730 CD PRO A 49 -4.533 24.587 9.012 1.00 0.00 C ATOM 0 HA PRO A 49 -2.974 22.061 7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.286 23.790 8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.045 24.271 7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.740 25.048 10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.890 25.979 8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.033 24.659 9.978 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.074 25.237 8.324 1.00 0.00 H new ATOM 738 N LEU A 50 -3.386 21.930 10.708 1.00 0.00 N ATOM 739 CA LEU A 50 -3.092 21.101 11.873 1.00 0.00 C ATOM 740 C LEU A 50 -3.667 19.694 11.687 1.00 0.00 C ATOM 741 O LEU A 50 -2.989 18.696 11.931 1.00 0.00 O ATOM 742 CB LEU A 50 -3.661 21.769 13.144 1.00 0.00 C ATOM 743 CG LEU A 50 -2.777 21.453 14.368 1.00 0.00 C ATOM 744 CD1 LEU A 50 -2.634 19.933 14.525 1.00 0.00 C ATOM 745 CD2 LEU A 50 -1.379 22.104 14.206 1.00 0.00 C ATOM 0 H LEU A 50 -4.121 22.623 10.850 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.012 21.008 11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.718 22.848 12.999 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.677 21.417 13.322 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.250 21.863 15.260 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.009 19.714 15.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.619 19.488 14.666 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.173 19.517 13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.767 21.872 15.077 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.897 21.713 13.310 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.489 23.185 14.117 1.00 0.00 H new ATOM 757 N LEU A 51 -4.919 19.621 11.243 1.00 0.00 N ATOM 758 CA LEU A 51 -5.561 18.329 11.013 1.00 0.00 C ATOM 759 C LEU A 51 -4.903 17.580 9.851 1.00 0.00 C ATOM 760 O LEU A 51 -4.604 16.390 9.962 1.00 0.00 O ATOM 761 CB LEU A 51 -7.072 18.539 10.749 1.00 0.00 C ATOM 762 CG LEU A 51 -7.889 18.297 12.036 1.00 0.00 C ATOM 763 CD1 LEU A 51 -7.851 16.792 12.411 1.00 0.00 C ATOM 764 CD2 LEU A 51 -7.327 19.154 13.196 1.00 0.00 C ATOM 0 H LEU A 51 -5.504 20.431 11.037 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.438 17.715 11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.246 19.552 10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.407 17.859 9.966 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.924 18.590 11.858 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.430 16.629 13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.278 16.204 11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.819 16.485 12.578 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.912 18.974 14.098 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.287 18.883 13.378 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.386 20.209 12.930 1.00 0.00 H new ATOM 776 N LEU A 52 -4.685 18.274 8.740 1.00 0.00 N ATOM 777 CA LEU A 52 -4.078 17.652 7.566 1.00 0.00 C ATOM 778 C LEU A 52 -2.770 16.955 7.927 1.00 0.00 C ATOM 779 O LEU A 52 -2.399 15.962 7.301 1.00 0.00 O ATOM 780 CB LEU A 52 -3.803 18.715 6.496 1.00 0.00 C ATOM 781 CG LEU A 52 -5.118 19.137 5.815 1.00 0.00 C ATOM 782 CD1 LEU A 52 -4.876 20.403 4.981 1.00 0.00 C ATOM 783 CD2 LEU A 52 -5.648 18.009 4.901 1.00 0.00 C ATOM 0 H LEU A 52 -4.917 19.261 8.626 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.776 16.908 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.325 19.583 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.110 18.322 5.752 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.862 19.337 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.806 20.704 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.529 21.206 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.122 20.199 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.578 18.329 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.909 17.787 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.832 17.115 5.496 1.00 0.00 H new ATOM 795 N LEU A 53 -2.071 17.468 8.934 1.00 0.00 N ATOM 796 CA LEU A 53 -0.813 16.858 9.348 1.00 0.00 C ATOM 797 C LEU A 53 -1.082 15.481 9.948 1.00 0.00 C ATOM 798 O LEU A 53 -0.371 14.516 9.667 1.00 0.00 O ATOM 799 CB LEU A 53 -0.112 17.750 10.382 1.00 0.00 C ATOM 800 CG LEU A 53 1.294 17.207 10.694 1.00 0.00 C ATOM 801 CD1 LEU A 53 2.244 17.463 9.513 1.00 0.00 C ATOM 802 CD2 LEU A 53 1.832 17.908 11.946 1.00 0.00 C ATOM 0 H LEU A 53 -2.348 18.290 9.470 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.166 16.750 8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.039 18.769 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.704 17.792 11.296 1.00 0.00 H new ATOM 0 HG LEU A 53 1.233 16.132 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.234 17.073 9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.861 16.963 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.312 18.535 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.828 17.530 12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.884 18.982 11.768 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.167 17.712 12.787 1.00 0.00 H new ATOM 814 N LEU A 54 -2.108 15.409 10.790 1.00 0.00 N ATOM 815 CA LEU A 54 -2.460 14.152 11.440 1.00 0.00 C ATOM 816 C LEU A 54 -2.862 13.104 10.408 1.00 0.00 C ATOM 817 O LEU A 54 -2.437 11.952 10.486 1.00 0.00 O ATOM 818 CB LEU A 54 -3.610 14.376 12.432 1.00 0.00 C ATOM 819 CG LEU A 54 -3.935 13.070 13.178 1.00 0.00 C ATOM 820 CD1 LEU A 54 -2.716 12.605 13.998 1.00 0.00 C ATOM 821 CD2 LEU A 54 -5.126 13.311 14.114 1.00 0.00 C ATOM 0 H LEU A 54 -2.705 16.198 11.037 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.586 13.789 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.337 15.152 13.147 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.494 14.729 11.901 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.184 12.294 12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.960 11.680 14.520 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.872 12.432 13.330 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.452 13.373 14.725 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.363 12.390 14.646 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.872 14.090 14.832 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.991 13.624 13.529 1.00 0.00 H new ATOM 833 N LEU A 55 -3.684 13.503 9.445 1.00 0.00 N ATOM 834 CA LEU A 55 -4.131 12.579 8.407 1.00 0.00 C ATOM 835 C LEU A 55 -2.978 12.222 7.470 1.00 0.00 C ATOM 836 O LEU A 55 -2.871 11.087 7.006 1.00 0.00 O ATOM 837 CB LEU A 55 -5.280 13.207 7.607 1.00 0.00 C ATOM 838 CG LEU A 55 -5.828 12.200 6.584 1.00 0.00 C ATOM 839 CD1 LEU A 55 -6.476 11.003 7.302 1.00 0.00 C ATOM 840 CD2 LEU A 55 -6.870 12.903 5.706 1.00 0.00 C ATOM 0 H LEU A 55 -4.052 14.450 9.360 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.484 11.665 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.076 13.519 8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.929 14.102 7.094 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.009 11.830 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.859 10.299 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.732 10.506 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.296 11.355 7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.266 12.197 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.683 13.273 6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.403 13.739 5.186 1.00 0.00 H new ATOM 852 N ALA A 56 -2.134 13.206 7.182 1.00 0.00 N ATOM 853 CA ALA A 56 -1.006 12.996 6.280 1.00 0.00 C ATOM 854 C ALA A 56 -0.136 11.831 6.748 1.00 0.00 C ATOM 855 O ALA A 56 0.471 11.138 5.931 1.00 0.00 O ATOM 856 CB ALA A 56 -0.162 14.269 6.196 1.00 0.00 C ATOM 0 H ALA A 56 -2.208 14.152 7.557 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.401 12.754 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.678 14.105 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.775 15.088 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.213 14.523 7.187 1.00 0.00 H new ATOM 862 N LEU A 57 -0.078 11.616 8.061 1.00 0.00 N ATOM 863 CA LEU A 57 0.725 10.520 8.606 1.00 0.00 C ATOM 864 C LEU A 57 0.187 10.085 9.977 1.00 0.00 C ATOM 865 O LEU A 57 -0.344 10.904 10.725 1.00 0.00 O ATOM 866 CB LEU A 57 2.190 10.963 8.742 1.00 0.00 C ATOM 867 CG LEU A 57 2.267 12.423 9.285 1.00 0.00 C ATOM 868 CD1 LEU A 57 3.321 12.523 10.393 1.00 0.00 C ATOM 869 CD2 LEU A 57 2.649 13.392 8.157 1.00 0.00 C ATOM 0 H LEU A 57 -0.568 12.176 8.759 1.00 0.00 H new ATOM 0 HA LEU A 57 0.664 9.674 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.720 10.289 9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.687 10.901 7.774 1.00 0.00 H new ATOM 0 HG LEU A 57 1.287 12.688 9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.364 13.547 10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.054 11.853 11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.295 12.240 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.699 14.407 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.621 13.112 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.899 13.345 7.368 1.00 0.00 H new ATOM 881 N PRO A 58 0.307 8.820 10.317 1.00 0.00 N ATOM 882 CA PRO A 58 -0.189 8.292 11.628 1.00 0.00 C ATOM 883 C PRO A 58 0.578 8.876 12.827 1.00 0.00 C ATOM 884 O PRO A 58 1.594 9.547 12.645 1.00 0.00 O ATOM 885 CB PRO A 58 0.031 6.767 11.516 1.00 0.00 C ATOM 886 CG PRO A 58 1.091 6.592 10.473 1.00 0.00 C ATOM 887 CD PRO A 58 0.925 7.756 9.497 1.00 0.00 C ATOM 0 HA PRO A 58 -1.229 8.565 11.808 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.346 6.345 12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.889 6.258 11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.084 6.599 10.922 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.980 5.636 9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.884 8.073 9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.292 7.483 8.653 1.00 0.00 H new ATOM 895 N PRO A 59 0.130 8.621 14.044 1.00 0.00 N ATOM 896 CA PRO A 59 0.823 9.123 15.275 1.00 0.00 C ATOM 897 C PRO A 59 2.267 8.615 15.374 1.00 0.00 C ATOM 898 O PRO A 59 3.072 9.155 16.133 1.00 0.00 O ATOM 899 CB PRO A 59 -0.028 8.570 16.439 1.00 0.00 C ATOM 900 CG PRO A 59 -1.361 8.259 15.840 1.00 0.00 C ATOM 901 CD PRO A 59 -1.084 7.849 14.394 1.00 0.00 C ATOM 0 HA PRO A 59 0.899 10.210 15.278 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.427 7.678 16.870 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.119 9.301 17.242 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.857 7.456 16.386 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.020 9.126 15.881 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.917 6.776 14.306 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.920 8.096 13.739 1.00 0.00 H new ATOM 909 N ARG A 60 2.582 7.571 14.609 1.00 0.00 N ATOM 910 CA ARG A 60 3.926 6.996 14.623 1.00 0.00 C ATOM 911 C ARG A 60 4.427 6.848 16.057 1.00 0.00 C ATOM 912 O ARG A 60 4.195 5.820 16.688 1.00 0.00 O ATOM 913 CB ARG A 60 4.879 7.894 13.828 1.00 0.00 C ATOM 914 CG ARG A 60 4.425 7.952 12.366 1.00 0.00 C ATOM 915 CD ARG A 60 5.059 9.164 11.681 1.00 0.00 C ATOM 916 NE ARG A 60 4.551 10.390 12.293 1.00 0.00 N ATOM 917 CZ ARG A 60 5.287 11.492 12.382 1.00 0.00 C ATOM 918 NH1 ARG A 60 6.500 11.507 11.900 1.00 0.00 N ATOM 919 NH2 ARG A 60 4.798 12.560 12.951 1.00 0.00 N ATOM 0 H ARG A 60 1.930 7.109 13.976 1.00 0.00 H new ATOM 0 HA ARG A 60 3.891 6.008 14.163 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.893 8.896 14.256 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.896 7.507 13.889 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.713 7.037 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.338 8.019 12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.144 9.121 11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.829 9.154 10.616 1.00 0.00 H new ATOM 0 HE ARG A 60 3.601 10.400 12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.882 10.673 11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.065 12.353 11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.850 12.549 13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.364 13.406 13.019 1.00 0.00 H new ATOM 933 N ALA A 61 5.115 7.887 16.552 1.00 0.00 N ATOM 934 CA ALA A 61 5.668 7.899 17.920 1.00 0.00 C ATOM 935 C ALA A 61 4.982 6.871 18.824 1.00 0.00 C ATOM 936 O ALA A 61 3.967 7.163 19.456 1.00 0.00 O ATOM 937 CB ALA A 61 5.500 9.291 18.528 1.00 0.00 C ATOM 0 H ALA A 61 5.304 8.738 16.023 1.00 0.00 H new ATOM 0 HA ALA A 61 6.724 7.637 17.851 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.909 9.298 19.538 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.030 10.021 17.917 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.441 9.547 18.563 1.00 0.00 H new ATOM 943 N TYR A 62 5.544 5.660 18.866 1.00 0.00 N ATOM 944 CA TYR A 62 4.980 4.581 19.680 1.00 0.00 C ATOM 945 C TYR A 62 5.615 4.560 21.068 1.00 0.00 C ATOM 946 O TYR A 62 6.572 3.827 21.314 1.00 0.00 O ATOM 947 CB TYR A 62 5.212 3.229 18.986 1.00 0.00 C ATOM 948 CG TYR A 62 4.215 3.051 17.861 1.00 0.00 C ATOM 949 CD1 TYR A 62 2.895 2.687 18.157 1.00 0.00 C ATOM 950 CD2 TYR A 62 4.604 3.256 16.533 1.00 0.00 C ATOM 951 CE1 TYR A 62 1.965 2.528 17.123 1.00 0.00 C ATOM 952 CE2 TYR A 62 3.674 3.098 15.499 1.00 0.00 C ATOM 953 CZ TYR A 62 2.354 2.734 15.794 1.00 0.00 C ATOM 954 OH TYR A 62 1.437 2.578 14.774 1.00 0.00 O ATOM 0 H TYR A 62 6.385 5.403 18.349 1.00 0.00 H new ATOM 0 HA TYR A 62 3.910 4.757 19.790 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.228 3.181 18.594 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.109 2.418 19.707 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.595 2.529 19.182 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.622 3.536 16.306 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.947 2.246 17.350 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.974 3.257 14.474 1.00 0.00 H new ATOM 0 HH TYR A 62 1.870 2.759 13.914 1.00 0.00 H new ATOM 964 N ALA A 63 5.065 5.362 21.973 1.00 0.00 N ATOM 965 CA ALA A 63 5.573 5.424 23.337 1.00 0.00 C ATOM 966 C ALA A 63 5.139 4.188 24.122 1.00 0.00 C ATOM 967 O ALA A 63 5.730 3.929 25.156 1.00 0.00 O ATOM 968 CB ALA A 63 5.051 6.680 24.034 1.00 0.00 C ATOM 969 OXT ALA A 63 4.223 3.520 23.672 1.00 0.00 O ATOM 0 H ALA A 63 4.271 5.975 21.787 1.00 0.00 H new ATOM 0 HA ALA A 63 6.662 5.458 23.299 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.436 6.717 25.053 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.382 7.563 23.488 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.962 6.656 24.059 1.00 0.00 H new TER 975 ALA A 63