USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 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 60 THR OG1 : rot 168:sc= 0.802 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.716 K(o=1.5,f=0.89) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.566 USER MOD Set 2.2: A 77 GLN : amide:sc= -0.401 X(o=0.16,f=0.56) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 151:sc= 1.33 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.748 (180deg=0.667) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.0197 (180deg=-0.23) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.09) USER MOD Single : A 57 GLN : amide:sc= 0.913 K(o=0.91,f=-0.099) USER MOD Single : A 58 ASN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 1.18 (180deg=0.988) USER MOD Single : A 68 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.2) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.22 K(o=1.2,f=-6.9!) USER MOD Single : A 78 CYS SG : rot 88:sc= 0.169 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 80 HIS : no HD1:sc= -0.0808 X(o=-0.081,f=-0.0069) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.168 X(o=0.17,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 7.387 -11.016 -7.313 1.00 0.00 N ATOM 2 CA LEU A 38 6.888 -10.664 -5.969 1.00 0.00 C ATOM 3 C LEU A 38 7.622 -9.431 -5.450 1.00 0.00 C ATOM 4 O LEU A 38 7.001 -8.410 -5.167 1.00 0.00 O ATOM 5 CB LEU A 38 7.059 -11.852 -5.009 1.00 0.00 C ATOM 6 CG LEU A 38 6.364 -11.558 -3.668 1.00 0.00 C ATOM 7 CD1 LEU A 38 5.630 -12.813 -3.188 1.00 0.00 C ATOM 8 CD2 LEU A 38 7.401 -11.147 -2.617 1.00 0.00 C ATOM 0 HA LEU A 38 5.825 -10.432 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.637 -12.753 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.119 -12.045 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 38 5.653 -10.744 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.137 -12.605 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.884 -13.103 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.345 -13.625 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.899 -10.941 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.119 -11.956 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.924 -10.251 -2.953 1.00 0.00 H new ATOM 22 N GLY A 39 8.948 -9.533 -5.334 1.00 0.00 N ATOM 23 CA GLY A 39 9.781 -8.438 -4.874 1.00 0.00 C ATOM 24 C GLY A 39 11.206 -8.689 -5.324 1.00 0.00 C ATOM 25 O GLY A 39 11.669 -9.829 -5.298 1.00 0.00 O ATOM 0 H GLY A 39 9.468 -10.381 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.419 -7.492 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.736 -8.360 -3.788 1.00 0.00 H new ATOM 29 N LYS A 40 11.893 -7.623 -5.759 1.00 0.00 N ATOM 30 CA LYS A 40 13.250 -7.726 -6.285 1.00 0.00 C ATOM 31 C LYS A 40 13.270 -8.701 -7.472 1.00 0.00 C ATOM 32 O LYS A 40 14.330 -9.191 -7.858 1.00 0.00 O ATOM 33 CB LYS A 40 14.218 -8.174 -5.178 1.00 0.00 C ATOM 34 CG LYS A 40 14.160 -7.189 -4.005 1.00 0.00 C ATOM 35 CD LYS A 40 15.180 -7.596 -2.939 1.00 0.00 C ATOM 36 CE LYS A 40 15.091 -6.635 -1.750 1.00 0.00 C ATOM 37 NZ LYS A 40 16.033 -7.021 -0.684 1.00 0.00 N ATOM 0 H LYS A 40 11.521 -6.673 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 40 13.578 -6.748 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.956 -9.175 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.234 -8.227 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.369 -6.178 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.158 -7.177 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.989 -8.617 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.186 -7.579 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.309 -5.620 -2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.074 -6.631 -1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.952 -6.353 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.808 -7.981 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.004 -7.001 -1.055 1.00 0.00 H new ATOM 51 N THR A 41 12.083 -8.973 -8.051 1.00 0.00 N ATOM 52 CA THR A 41 11.950 -9.873 -9.185 1.00 0.00 C ATOM 53 C THR A 41 11.975 -9.070 -10.484 1.00 0.00 C ATOM 54 O THR A 41 11.729 -9.612 -11.559 1.00 0.00 O ATOM 55 CB THR A 41 10.637 -10.670 -9.057 1.00 0.00 C ATOM 56 OG1 THR A 41 10.268 -10.787 -7.694 1.00 0.00 O ATOM 57 CG2 THR A 41 10.820 -12.068 -9.651 1.00 0.00 C ATOM 0 H THR A 41 11.200 -8.570 -7.737 1.00 0.00 H new ATOM 0 HA THR A 41 12.783 -10.576 -9.199 1.00 0.00 H new ATOM 0 HB THR A 41 9.852 -10.141 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.293 -10.859 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.889 -12.627 -9.558 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.089 -11.984 -10.704 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.612 -12.590 -9.115 1.00 0.00 H new ATOM 65 N ARG A 42 12.278 -7.774 -10.373 1.00 0.00 N ATOM 66 CA ARG A 42 12.354 -6.889 -11.523 1.00 0.00 C ATOM 67 C ARG A 42 13.587 -7.238 -12.349 1.00 0.00 C ATOM 68 O ARG A 42 14.666 -6.709 -12.099 1.00 0.00 O ATOM 69 CB ARG A 42 12.430 -5.435 -11.047 1.00 0.00 C ATOM 70 CG ARG A 42 11.162 -5.064 -10.269 1.00 0.00 C ATOM 71 CD ARG A 42 11.158 -3.560 -9.981 1.00 0.00 C ATOM 72 NE ARG A 42 12.290 -3.182 -9.120 1.00 0.00 N ATOM 73 CZ ARG A 42 12.708 -1.911 -8.968 1.00 0.00 C ATOM 74 NH1 ARG A 42 12.079 -0.912 -9.600 1.00 0.00 N ATOM 75 NH2 ARG A 42 13.760 -1.645 -8.181 1.00 0.00 N ATOM 0 H ARG A 42 12.476 -7.316 -9.483 1.00 0.00 H new ATOM 0 HA ARG A 42 11.465 -7.012 -12.141 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.307 -5.298 -10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.547 -4.770 -11.903 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.277 -5.337 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.120 -5.624 -9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.210 -3.007 -10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.221 -3.282 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 42 12.782 -3.918 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.279 -1.112 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.400 0.049 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.241 -2.404 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.079 -0.683 -8.064 1.00 0.00 H new ATOM 89 N TRP A 43 13.422 -8.131 -13.328 1.00 0.00 N ATOM 90 CA TRP A 43 14.521 -8.556 -14.180 1.00 0.00 C ATOM 91 C TRP A 43 14.017 -8.827 -15.591 1.00 0.00 C ATOM 92 O TRP A 43 12.951 -9.417 -15.771 1.00 0.00 O ATOM 93 CB TRP A 43 15.174 -9.803 -13.578 1.00 0.00 C ATOM 94 CG TRP A 43 16.125 -9.500 -12.469 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.852 -9.545 -11.154 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.507 -9.060 -12.563 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.944 -9.162 -10.413 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.008 -8.843 -11.241 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.391 -8.814 -13.633 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.311 -8.396 -11.001 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.702 -8.357 -13.402 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.162 -8.146 -12.089 1.00 0.00 C ATOM 0 H TRP A 43 12.529 -8.573 -13.546 1.00 0.00 H new ATOM 0 HA TRP A 43 15.268 -7.764 -14.239 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.395 -10.468 -13.206 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.704 -10.341 -14.364 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.902 -9.842 -10.736 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.968 -9.119 -9.394 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.057 -8.979 -14.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.659 -8.245 -9.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.359 -8.167 -14.238 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.168 -7.792 -11.919 1.00 0.00 H new ATOM 113 N THR A 44 14.796 -8.388 -16.589 1.00 0.00 N ATOM 114 CA THR A 44 14.460 -8.569 -17.994 1.00 0.00 C ATOM 115 C THR A 44 15.693 -9.070 -18.746 1.00 0.00 C ATOM 116 O THR A 44 16.805 -9.000 -18.228 1.00 0.00 O ATOM 117 CB THR A 44 13.967 -7.238 -18.580 1.00 0.00 C ATOM 118 OG1 THR A 44 14.933 -6.232 -18.358 1.00 0.00 O ATOM 119 CG2 THR A 44 12.651 -6.831 -17.913 1.00 0.00 C ATOM 0 H THR A 44 15.677 -7.897 -16.437 1.00 0.00 H new ATOM 0 HA THR A 44 13.664 -9.306 -18.096 1.00 0.00 H new ATOM 0 HB THR A 44 13.807 -7.361 -19.651 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.616 -5.385 -18.735 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.307 -5.886 -18.333 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.900 -7.601 -18.089 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.807 -6.715 -16.840 1.00 0.00 H new ATOM 127 N ARG A 45 15.486 -9.576 -19.970 1.00 0.00 N ATOM 128 CA ARG A 45 16.566 -10.115 -20.793 1.00 0.00 C ATOM 129 C ARG A 45 17.728 -9.121 -20.899 1.00 0.00 C ATOM 130 O ARG A 45 18.882 -9.510 -20.766 1.00 0.00 O ATOM 131 CB ARG A 45 16.013 -10.451 -22.184 1.00 0.00 C ATOM 132 CG ARG A 45 17.094 -11.148 -23.020 1.00 0.00 C ATOM 133 CD ARG A 45 16.537 -11.502 -24.401 1.00 0.00 C ATOM 134 NE ARG A 45 15.500 -12.539 -24.306 1.00 0.00 N ATOM 135 CZ ARG A 45 14.832 -13.008 -25.374 1.00 0.00 C ATOM 136 NH1 ARG A 45 15.102 -12.536 -26.599 1.00 0.00 N ATOM 137 NH2 ARG A 45 13.894 -13.951 -25.213 1.00 0.00 N ATOM 0 H ARG A 45 14.568 -9.621 -20.411 1.00 0.00 H new ATOM 0 HA ARG A 45 16.953 -11.020 -20.325 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.140 -11.096 -22.092 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.685 -9.540 -22.684 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.962 -10.497 -23.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.433 -12.051 -22.512 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.121 -10.609 -24.868 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.345 -11.850 -25.044 1.00 0.00 H new ATOM 0 HE ARG A 45 15.277 -12.921 -23.387 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.816 -11.819 -26.723 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.593 -12.894 -27.407 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.688 -14.312 -24.281 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.386 -14.308 -26.022 1.00 0.00 H new ATOM 151 N GLU A 46 17.419 -7.842 -21.144 1.00 0.00 N ATOM 152 CA GLU A 46 18.442 -6.811 -21.287 1.00 0.00 C ATOM 153 C GLU A 46 19.283 -6.718 -20.006 1.00 0.00 C ATOM 154 O GLU A 46 20.513 -6.712 -20.064 1.00 0.00 O ATOM 155 CB GLU A 46 17.758 -5.471 -21.602 1.00 0.00 C ATOM 156 CG GLU A 46 18.691 -4.578 -22.430 1.00 0.00 C ATOM 157 CD GLU A 46 19.874 -4.088 -21.604 1.00 0.00 C ATOM 158 OE1 GLU A 46 19.617 -3.516 -20.521 1.00 0.00 O ATOM 159 OE2 GLU A 46 21.018 -4.284 -22.070 1.00 0.00 O ATOM 0 H GLU A 46 16.464 -7.500 -21.247 1.00 0.00 H new ATOM 0 HA GLU A 46 19.115 -7.065 -22.106 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.832 -5.648 -22.149 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.489 -4.966 -20.675 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.055 -5.133 -23.295 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.133 -3.723 -22.812 1.00 0.00 H new ATOM 166 N GLU A 47 18.614 -6.650 -18.852 1.00 0.00 N ATOM 167 CA GLU A 47 19.290 -6.558 -17.566 1.00 0.00 C ATOM 168 C GLU A 47 20.149 -7.804 -17.342 1.00 0.00 C ATOM 169 O GLU A 47 21.288 -7.703 -16.885 1.00 0.00 O ATOM 170 CB GLU A 47 18.241 -6.412 -16.460 1.00 0.00 C ATOM 171 CG GLU A 47 18.730 -5.440 -15.389 1.00 0.00 C ATOM 172 CD GLU A 47 17.612 -5.142 -14.401 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.189 -6.096 -13.719 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.194 -3.966 -14.348 1.00 0.00 O ATOM 0 H GLU A 47 17.596 -6.657 -18.788 1.00 0.00 H new ATOM 0 HA GLU A 47 19.945 -5.687 -17.550 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.303 -6.054 -16.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.037 -7.385 -16.012 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.585 -5.866 -14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.070 -4.515 -15.855 1.00 0.00 H new ATOM 181 N ASP A 48 19.600 -8.981 -17.671 1.00 0.00 N ATOM 182 CA ASP A 48 20.320 -10.234 -17.527 1.00 0.00 C ATOM 183 C ASP A 48 21.547 -10.228 -18.434 1.00 0.00 C ATOM 184 O ASP A 48 22.591 -10.744 -18.053 1.00 0.00 O ATOM 185 CB ASP A 48 19.397 -11.409 -17.869 1.00 0.00 C ATOM 186 CG ASP A 48 18.412 -11.685 -16.739 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.881 -11.807 -15.587 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.203 -11.777 -17.043 1.00 0.00 O ATOM 0 H ASP A 48 18.654 -9.082 -18.040 1.00 0.00 H new ATOM 0 HA ASP A 48 20.651 -10.347 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.850 -11.190 -18.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.995 -12.300 -18.060 1.00 0.00 H new ATOM 193 N GLU A 49 21.425 -9.639 -19.634 1.00 0.00 N ATOM 194 CA GLU A 49 22.541 -9.553 -20.564 1.00 0.00 C ATOM 195 C GLU A 49 23.654 -8.719 -19.934 1.00 0.00 C ATOM 196 O GLU A 49 24.820 -9.109 -19.971 1.00 0.00 O ATOM 197 CB GLU A 49 22.081 -8.930 -21.887 1.00 0.00 C ATOM 198 CG GLU A 49 23.123 -9.210 -22.977 1.00 0.00 C ATOM 199 CD GLU A 49 23.157 -8.087 -24.006 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.131 -7.919 -24.697 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.213 -7.417 -24.080 1.00 0.00 O ATOM 0 H GLU A 49 20.561 -9.218 -19.975 1.00 0.00 H new ATOM 0 HA GLU A 49 22.919 -10.553 -20.775 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.115 -9.343 -22.178 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.945 -7.855 -21.767 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.108 -9.321 -22.523 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.892 -10.153 -23.472 1.00 0.00 H new ATOM 208 N LYS A 50 23.291 -7.569 -19.347 1.00 0.00 N ATOM 209 CA LYS A 50 24.260 -6.706 -18.693 1.00 0.00 C ATOM 210 C LYS A 50 24.973 -7.486 -17.591 1.00 0.00 C ATOM 211 O LYS A 50 26.198 -7.514 -17.548 1.00 0.00 O ATOM 212 CB LYS A 50 23.561 -5.472 -18.111 1.00 0.00 C ATOM 213 CG LYS A 50 23.316 -4.436 -19.213 1.00 0.00 C ATOM 214 CD LYS A 50 22.813 -3.133 -18.580 1.00 0.00 C ATOM 215 CE LYS A 50 22.887 -1.989 -19.595 1.00 0.00 C ATOM 216 NZ LYS A 50 21.928 -2.186 -20.694 1.00 0.00 N ATOM 0 H LYS A 50 22.332 -7.224 -19.317 1.00 0.00 H new ATOM 0 HA LYS A 50 24.996 -6.370 -19.424 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.614 -5.762 -17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.173 -5.036 -17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.237 -4.253 -19.767 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.584 -4.813 -19.927 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.786 -3.259 -18.238 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.414 -2.890 -17.703 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.681 -1.043 -19.095 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.897 -1.923 -19.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.929 -1.348 -21.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.201 -3.023 -21.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.975 -2.326 -20.302 1.00 0.00 H new ATOM 230 N LEU A 51 24.207 -8.122 -16.701 1.00 0.00 N ATOM 231 CA LEU A 51 24.784 -8.888 -15.606 1.00 0.00 C ATOM 232 C LEU A 51 25.686 -9.998 -16.159 1.00 0.00 C ATOM 233 O LEU A 51 26.765 -10.240 -15.627 1.00 0.00 O ATOM 234 CB LEU A 51 23.656 -9.468 -14.740 1.00 0.00 C ATOM 235 CG LEU A 51 24.228 -10.082 -13.449 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.905 -9.000 -12.602 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.093 -10.711 -12.640 1.00 0.00 C ATOM 0 H LEU A 51 23.187 -8.119 -16.722 1.00 0.00 H new ATOM 0 HA LEU A 51 25.398 -8.237 -14.984 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.941 -8.684 -14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.113 -10.228 -15.301 1.00 0.00 H new ATOM 0 HG LEU A 51 24.963 -10.841 -13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.305 -9.447 -11.692 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.717 -8.547 -13.171 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.175 -8.234 -12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.496 -11.146 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.360 -9.945 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.613 -11.490 -13.232 1.00 0.00 H new ATOM 249 N LYS A 52 25.239 -10.668 -17.229 1.00 0.00 N ATOM 250 CA LYS A 52 25.995 -11.749 -17.847 1.00 0.00 C ATOM 251 C LYS A 52 27.357 -11.251 -18.326 1.00 0.00 C ATOM 252 O LYS A 52 28.384 -11.673 -17.806 1.00 0.00 O ATOM 253 CB LYS A 52 25.199 -12.322 -19.030 1.00 0.00 C ATOM 254 CG LYS A 52 24.129 -13.301 -18.529 1.00 0.00 C ATOM 255 CD LYS A 52 24.674 -14.738 -18.564 1.00 0.00 C ATOM 256 CE LYS A 52 24.631 -15.296 -19.994 1.00 0.00 C ATOM 257 NZ LYS A 52 23.248 -15.568 -20.423 1.00 0.00 N ATOM 0 H LYS A 52 24.347 -10.472 -17.684 1.00 0.00 H new ATOM 0 HA LYS A 52 26.158 -12.531 -17.105 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.728 -11.512 -19.586 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.874 -12.831 -19.718 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.833 -13.040 -17.513 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.237 -13.226 -19.150 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.698 -14.754 -18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.085 -15.373 -17.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.092 -14.584 -20.678 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.217 -16.214 -20.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.258 -16.210 -21.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.723 -16.010 -19.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.785 -14.676 -20.690 1.00 0.00 H new ATOM 271 N LYS A 53 27.364 -10.365 -19.329 1.00 0.00 N ATOM 272 CA LYS A 53 28.605 -9.878 -19.923 1.00 0.00 C ATOM 273 C LYS A 53 29.509 -9.199 -18.881 1.00 0.00 C ATOM 274 O LYS A 53 30.719 -9.138 -19.076 1.00 0.00 O ATOM 275 CB LYS A 53 28.282 -8.939 -21.097 1.00 0.00 C ATOM 276 CG LYS A 53 27.702 -7.613 -20.592 1.00 0.00 C ATOM 277 CD LYS A 53 26.760 -7.013 -21.646 1.00 0.00 C ATOM 278 CE LYS A 53 27.506 -6.779 -22.962 1.00 0.00 C ATOM 279 NZ LYS A 53 26.614 -6.171 -23.967 1.00 0.00 N ATOM 0 H LYS A 53 26.519 -9.972 -19.744 1.00 0.00 H new ATOM 0 HA LYS A 53 29.166 -10.731 -20.304 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.186 -8.749 -21.675 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.570 -9.420 -21.768 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.161 -7.775 -19.660 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.509 -6.914 -20.374 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.918 -7.684 -21.813 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.350 -6.071 -21.281 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.363 -6.129 -22.789 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.895 -7.725 -23.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.014 -6.312 -24.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.677 -6.619 -23.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.521 -5.153 -23.778 1.00 0.00 H new ATOM 293 N LEU A 54 28.939 -8.695 -17.776 1.00 0.00 N ATOM 294 CA LEU A 54 29.737 -8.059 -16.732 1.00 0.00 C ATOM 295 C LEU A 54 30.414 -9.124 -15.866 1.00 0.00 C ATOM 296 O LEU A 54 31.625 -9.079 -15.673 1.00 0.00 O ATOM 297 CB LEU A 54 28.850 -7.150 -15.868 1.00 0.00 C ATOM 298 CG LEU A 54 28.549 -5.832 -16.603 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.426 -5.088 -15.874 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.801 -4.945 -16.632 1.00 0.00 C ATOM 0 H LEU A 54 27.937 -8.718 -17.588 1.00 0.00 H new ATOM 0 HA LEU A 54 30.509 -7.448 -17.200 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.917 -7.662 -15.631 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.348 -6.940 -14.922 1.00 0.00 H new ATOM 0 HG LEU A 54 28.245 -6.059 -17.625 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.211 -4.154 -16.393 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.530 -5.708 -15.857 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.737 -4.872 -14.852 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.576 -4.015 -17.155 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.112 -4.722 -15.612 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.605 -5.467 -17.151 1.00 0.00 H new ATOM 312 N VAL A 55 29.633 -10.075 -15.340 1.00 0.00 N ATOM 313 CA VAL A 55 30.161 -11.123 -14.469 1.00 0.00 C ATOM 314 C VAL A 55 31.137 -12.020 -15.236 1.00 0.00 C ATOM 315 O VAL A 55 32.190 -12.369 -14.715 1.00 0.00 O ATOM 316 CB VAL A 55 28.997 -11.943 -13.892 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.538 -13.173 -13.156 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.202 -11.083 -12.907 1.00 0.00 C ATOM 0 H VAL A 55 28.628 -10.137 -15.506 1.00 0.00 H new ATOM 0 HA VAL A 55 30.710 -10.664 -13.647 1.00 0.00 H new ATOM 0 HB VAL A 55 28.351 -12.263 -14.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.706 -13.749 -12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.104 -13.793 -13.851 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.189 -12.853 -12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.377 -11.666 -12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.855 -10.761 -12.096 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.807 -10.208 -13.424 1.00 0.00 H new ATOM 328 N GLU A 56 30.783 -12.396 -16.468 1.00 0.00 N ATOM 329 CA GLU A 56 31.624 -13.258 -17.291 1.00 0.00 C ATOM 330 C GLU A 56 33.035 -12.674 -17.414 1.00 0.00 C ATOM 331 O GLU A 56 34.016 -13.414 -17.382 1.00 0.00 O ATOM 332 CB GLU A 56 30.983 -13.411 -18.674 1.00 0.00 C ATOM 333 CG GLU A 56 29.768 -14.345 -18.584 1.00 0.00 C ATOM 334 CD GLU A 56 28.900 -14.247 -19.836 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.399 -13.686 -20.837 1.00 0.00 O ATOM 336 OE2 GLU A 56 27.751 -14.737 -19.768 1.00 0.00 O ATOM 0 H GLU A 56 29.912 -12.112 -16.917 1.00 0.00 H new ATOM 0 HA GLU A 56 31.707 -14.238 -16.821 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.676 -12.436 -19.053 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.710 -13.813 -19.380 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.106 -15.373 -18.452 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.174 -14.090 -17.706 1.00 0.00 H new ATOM 343 N GLN A 57 33.130 -11.347 -17.556 1.00 0.00 N ATOM 344 CA GLN A 57 34.412 -10.671 -17.698 1.00 0.00 C ATOM 345 C GLN A 57 35.066 -10.468 -16.329 1.00 0.00 C ATOM 346 O GLN A 57 36.255 -10.736 -16.170 1.00 0.00 O ATOM 347 CB GLN A 57 34.193 -9.326 -18.407 1.00 0.00 C ATOM 348 CG GLN A 57 34.550 -9.448 -19.896 1.00 0.00 C ATOM 349 CD GLN A 57 33.873 -10.656 -20.544 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.549 -11.556 -21.036 1.00 0.00 O ATOM 351 NE2 GLN A 57 32.542 -10.676 -20.545 1.00 0.00 N ATOM 0 H GLN A 57 32.324 -10.722 -17.575 1.00 0.00 H new ATOM 0 HA GLN A 57 35.085 -11.285 -18.297 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.154 -9.014 -18.299 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.807 -8.556 -17.940 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.249 -8.539 -20.418 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.631 -9.535 -20.005 1.00 0.00 H new ATOM 0 HE21 GLN A 57 32.020 -9.907 -20.125 1.00 0.00 H new ATOM 0 HE22 GLN A 57 32.044 -11.460 -20.966 1.00 0.00 H new ATOM 360 N ASN A 58 34.294 -9.988 -15.346 1.00 0.00 N ATOM 361 CA ASN A 58 34.814 -9.733 -14.008 1.00 0.00 C ATOM 362 C ASN A 58 34.753 -11.013 -13.175 1.00 0.00 C ATOM 363 O ASN A 58 35.734 -11.749 -13.095 1.00 0.00 O ATOM 364 CB ASN A 58 34.005 -8.609 -13.345 1.00 0.00 C ATOM 365 CG ASN A 58 34.251 -7.271 -14.034 1.00 0.00 C ATOM 366 OD1 ASN A 58 35.183 -6.552 -13.684 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.411 -6.937 -15.014 1.00 0.00 N ATOM 0 H ASN A 58 33.304 -9.770 -15.459 1.00 0.00 H new ATOM 0 HA ASN A 58 35.855 -9.417 -14.075 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.943 -8.851 -13.383 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.277 -8.534 -12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.529 -6.052 -15.507 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.651 -7.567 -15.271 1.00 0.00 H new ATOM 374 N GLY A 59 33.595 -11.270 -12.553 1.00 0.00 N ATOM 375 CA GLY A 59 33.396 -12.442 -11.715 1.00 0.00 C ATOM 376 C GLY A 59 32.543 -12.066 -10.509 1.00 0.00 C ATOM 377 O GLY A 59 32.071 -10.933 -10.410 1.00 0.00 O ATOM 0 H GLY A 59 32.775 -10.667 -12.621 1.00 0.00 H new ATOM 0 HA2 GLY A 59 32.909 -13.232 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.358 -12.834 -11.385 1.00 0.00 H new ATOM 381 N THR A 60 32.349 -13.016 -9.587 1.00 0.00 N ATOM 382 CA THR A 60 31.569 -12.774 -8.378 1.00 0.00 C ATOM 383 C THR A 60 32.470 -12.119 -7.318 1.00 0.00 C ATOM 384 O THR A 60 32.612 -12.619 -6.203 1.00 0.00 O ATOM 385 CB THR A 60 30.938 -14.098 -7.890 1.00 0.00 C ATOM 386 OG1 THR A 60 30.328 -13.906 -6.630 1.00 0.00 O ATOM 387 CG2 THR A 60 31.997 -15.199 -7.785 1.00 0.00 C ATOM 0 H THR A 60 32.725 -13.961 -9.660 1.00 0.00 H new ATOM 0 HA THR A 60 30.748 -12.087 -8.581 1.00 0.00 H new ATOM 0 HB THR A 60 30.186 -14.406 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.771 -14.683 -6.414 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.530 -16.121 -7.440 1.00 0.00 H new ATOM 0 HG22 THR A 60 32.448 -15.365 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 60 32.768 -14.896 -7.077 1.00 0.00 H new ATOM 395 N ASP A 61 33.078 -10.983 -7.687 1.00 0.00 N ATOM 396 CA ASP A 61 33.948 -10.232 -6.797 1.00 0.00 C ATOM 397 C ASP A 61 33.096 -9.210 -6.031 1.00 0.00 C ATOM 398 O ASP A 61 32.017 -9.555 -5.547 1.00 0.00 O ATOM 399 CB ASP A 61 35.047 -9.564 -7.638 1.00 0.00 C ATOM 400 CG ASP A 61 36.204 -9.091 -6.766 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.987 -9.966 -6.338 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.280 -7.864 -6.547 1.00 0.00 O ATOM 0 H ASP A 61 32.975 -10.566 -8.612 1.00 0.00 H new ATOM 0 HA ASP A 61 34.433 -10.878 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.416 -10.269 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.628 -8.716 -8.180 1.00 0.00 H new ATOM 407 N ASP A 62 33.559 -7.955 -5.927 1.00 0.00 N ATOM 408 CA ASP A 62 32.793 -6.912 -5.263 1.00 0.00 C ATOM 409 C ASP A 62 31.551 -6.602 -6.097 1.00 0.00 C ATOM 410 O ASP A 62 31.619 -5.870 -7.086 1.00 0.00 O ATOM 411 CB ASP A 62 33.662 -5.660 -5.062 1.00 0.00 C ATOM 412 CG ASP A 62 33.759 -5.302 -3.584 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.735 -4.815 -3.054 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.848 -5.520 -3.014 1.00 0.00 O ATOM 0 H ASP A 62 34.459 -7.647 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 62 32.477 -7.252 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.660 -5.835 -5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.237 -4.823 -5.617 1.00 0.00 H new ATOM 419 N TRP A 63 30.416 -7.175 -5.694 1.00 0.00 N ATOM 420 CA TRP A 63 29.159 -7.007 -6.402 1.00 0.00 C ATOM 421 C TRP A 63 28.742 -5.537 -6.461 1.00 0.00 C ATOM 422 O TRP A 63 27.955 -5.161 -7.325 1.00 0.00 O ATOM 423 CB TRP A 63 28.090 -7.850 -5.709 1.00 0.00 C ATOM 424 CG TRP A 63 28.200 -9.312 -5.985 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.601 -10.253 -5.113 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.922 -10.025 -7.223 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.596 -11.497 -5.698 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.181 -11.416 -7.014 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.476 -9.643 -8.509 1.00 0.00 C ATOM 430 CZ2 TRP A 63 28.008 -12.367 -8.022 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.306 -10.598 -9.528 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.578 -11.958 -9.286 1.00 0.00 C ATOM 0 H TRP A 63 30.349 -7.768 -4.867 1.00 0.00 H new ATOM 0 HA TRP A 63 29.281 -7.342 -7.432 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.154 -7.688 -4.633 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.106 -7.503 -6.026 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.888 -10.058 -4.090 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.862 -12.361 -5.226 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.263 -8.604 -8.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.205 -13.410 -7.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.964 -10.285 -10.504 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.454 -12.684 -10.076 1.00 0.00 H new ATOM 443 N LYS A 64 29.264 -4.705 -5.554 1.00 0.00 N ATOM 444 CA LYS A 64 28.927 -3.290 -5.536 1.00 0.00 C ATOM 445 C LYS A 64 29.417 -2.620 -6.824 1.00 0.00 C ATOM 446 O LYS A 64 28.755 -1.726 -7.344 1.00 0.00 O ATOM 447 CB LYS A 64 29.540 -2.631 -4.292 1.00 0.00 C ATOM 448 CG LYS A 64 28.417 -2.048 -3.427 1.00 0.00 C ATOM 449 CD LYS A 64 28.967 -1.664 -2.051 1.00 0.00 C ATOM 450 CE LYS A 64 27.818 -1.219 -1.136 1.00 0.00 C ATOM 451 NZ LYS A 64 26.924 -2.347 -0.802 1.00 0.00 N ATOM 0 H LYS A 64 29.919 -4.992 -4.827 1.00 0.00 H new ATOM 0 HA LYS A 64 27.845 -3.169 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.112 -3.363 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.234 -1.844 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 64 27.988 -1.173 -3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 64 27.614 -2.777 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 29.489 -2.513 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.696 -0.860 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.226 -0.793 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.245 -0.432 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.240 -2.046 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.413 -2.650 -1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.488 -3.141 -0.436 1.00 0.00 H new ATOM 465 N VAL A 65 30.571 -3.061 -7.345 1.00 0.00 N ATOM 466 CA VAL A 65 31.120 -2.513 -8.580 1.00 0.00 C ATOM 467 C VAL A 65 30.141 -2.773 -9.722 1.00 0.00 C ATOM 468 O VAL A 65 29.857 -1.881 -10.518 1.00 0.00 O ATOM 469 CB VAL A 65 32.482 -3.160 -8.872 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.010 -2.676 -10.226 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.481 -2.778 -7.778 1.00 0.00 C ATOM 0 H VAL A 65 31.138 -3.797 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 65 31.266 -1.438 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 65 32.360 -4.243 -8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.976 -3.139 -10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.306 -2.952 -11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.124 -1.592 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.446 -3.239 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.595 -1.694 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.115 -3.128 -6.813 1.00 0.00 H new ATOM 481 N ILE A 66 29.626 -4.002 -9.795 1.00 0.00 N ATOM 482 CA ILE A 66 28.680 -4.386 -10.828 1.00 0.00 C ATOM 483 C ILE A 66 27.367 -3.623 -10.624 1.00 0.00 C ATOM 484 O ILE A 66 26.759 -3.162 -11.589 1.00 0.00 O ATOM 485 CB ILE A 66 28.463 -5.910 -10.774 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.797 -6.624 -11.065 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.421 -6.322 -11.821 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.733 -8.082 -10.613 1.00 0.00 C ATOM 0 H ILE A 66 29.855 -4.750 -9.141 1.00 0.00 H new ATOM 0 HA ILE A 66 29.068 -4.131 -11.814 1.00 0.00 H new ATOM 0 HB ILE A 66 28.106 -6.191 -9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.016 -6.577 -12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.610 -6.113 -10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.270 -7.401 -11.780 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.478 -5.816 -11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.773 -6.043 -12.814 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.684 -8.571 -10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.536 -8.122 -9.542 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.933 -8.594 -11.148 1.00 0.00 H new ATOM 500 N ALA A 67 26.939 -3.489 -9.362 1.00 0.00 N ATOM 501 CA ALA A 67 25.707 -2.790 -9.025 1.00 0.00 C ATOM 502 C ALA A 67 25.766 -1.335 -9.492 1.00 0.00 C ATOM 503 O ALA A 67 24.756 -0.787 -9.920 1.00 0.00 O ATOM 504 CB ALA A 67 25.485 -2.858 -7.515 1.00 0.00 C ATOM 0 H ALA A 67 27.439 -3.862 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 67 24.873 -3.272 -9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.563 -2.336 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.410 -3.900 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.324 -2.387 -7.002 1.00 0.00 H new ATOM 510 N ASN A 68 26.948 -0.706 -9.413 1.00 0.00 N ATOM 511 CA ASN A 68 27.109 0.682 -9.839 1.00 0.00 C ATOM 512 C ASN A 68 26.724 0.830 -11.314 1.00 0.00 C ATOM 513 O ASN A 68 26.202 1.870 -11.714 1.00 0.00 O ATOM 514 CB ASN A 68 28.558 1.135 -9.618 1.00 0.00 C ATOM 515 CG ASN A 68 28.915 1.173 -8.133 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.042 1.323 -7.282 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.205 1.040 -7.824 1.00 0.00 N ATOM 0 H ASN A 68 27.801 -1.139 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 68 26.450 1.313 -9.243 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.235 0.457 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.701 2.124 -10.053 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.500 1.061 -6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 68 30.897 0.917 -8.564 1.00 0.00 H new ATOM 524 N TYR A 69 26.980 -0.210 -12.122 1.00 0.00 N ATOM 525 CA TYR A 69 26.661 -0.181 -13.547 1.00 0.00 C ATOM 526 C TYR A 69 25.171 -0.468 -13.772 1.00 0.00 C ATOM 527 O TYR A 69 24.673 -0.293 -14.884 1.00 0.00 O ATOM 528 CB TYR A 69 27.523 -1.214 -14.284 1.00 0.00 C ATOM 529 CG TYR A 69 29.003 -1.143 -13.946 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.631 0.102 -13.737 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.754 -2.329 -13.847 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.000 0.155 -13.426 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.123 -2.273 -13.538 1.00 0.00 C ATOM 534 CZ TYR A 69 31.745 -1.032 -13.327 1.00 0.00 C ATOM 535 OH TYR A 69 33.075 -0.977 -13.027 1.00 0.00 O ATOM 0 H TYR A 69 27.408 -1.081 -11.807 1.00 0.00 H new ATOM 0 HA TYR A 69 26.877 0.812 -13.940 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.155 -2.213 -14.048 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.400 -1.074 -15.358 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.060 1.015 -13.816 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.277 -3.284 -14.009 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.480 1.109 -13.263 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.697 -3.185 -13.463 1.00 0.00 H new ATOM 0 HH TYR A 69 33.441 -1.886 -12.996 1.00 0.00 H new ATOM 545 N LEU A 70 24.464 -0.904 -12.717 1.00 0.00 N ATOM 546 CA LEU A 70 23.038 -1.203 -12.787 1.00 0.00 C ATOM 547 C LEU A 70 22.305 -0.428 -11.686 1.00 0.00 C ATOM 548 O LEU A 70 21.994 -1.005 -10.643 1.00 0.00 O ATOM 549 CB LEU A 70 22.829 -2.716 -12.602 1.00 0.00 C ATOM 550 CG LEU A 70 23.283 -3.484 -13.853 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.499 -4.956 -13.493 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.211 -3.384 -14.944 1.00 0.00 C ATOM 0 H LEU A 70 24.872 -1.057 -11.795 1.00 0.00 H new ATOM 0 HA LEU A 70 22.640 -0.904 -13.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.389 -3.062 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.777 -2.921 -12.405 1.00 0.00 H new ATOM 0 HG LEU A 70 24.214 -3.052 -14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.821 -5.504 -14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.264 -5.033 -12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.566 -5.381 -13.123 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.539 -3.931 -15.828 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.278 -3.813 -14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.052 -2.337 -15.203 1.00 0.00 H new ATOM 564 N PRO A 71 22.027 0.881 -11.908 1.00 0.00 N ATOM 565 CA PRO A 71 21.341 1.720 -10.937 1.00 0.00 C ATOM 566 C PRO A 71 19.885 1.261 -10.771 1.00 0.00 C ATOM 567 O PRO A 71 18.961 1.895 -11.273 1.00 0.00 O ATOM 568 CB PRO A 71 21.443 3.150 -11.488 1.00 0.00 C ATOM 569 CG PRO A 71 21.930 3.028 -12.936 1.00 0.00 C ATOM 570 CD PRO A 71 22.388 1.580 -13.126 1.00 0.00 C ATOM 0 HA PRO A 71 21.785 1.660 -9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.476 3.651 -11.445 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.137 3.745 -10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.131 3.276 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.749 3.721 -13.129 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.904 1.129 -13.992 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.463 1.531 -13.300 1.00 0.00 H new ATOM 578 N ASN A 72 19.708 0.142 -10.062 1.00 0.00 N ATOM 579 CA ASN A 72 18.407 -0.474 -9.815 1.00 0.00 C ATOM 580 C ASN A 72 18.614 -1.793 -9.075 1.00 0.00 C ATOM 581 O ASN A 72 17.799 -2.167 -8.229 1.00 0.00 O ATOM 582 CB ASN A 72 17.658 -0.724 -11.139 1.00 0.00 C ATOM 583 CG ASN A 72 16.304 -0.015 -11.149 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.280 -0.628 -10.842 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.295 1.268 -11.500 1.00 0.00 N ATOM 0 H ASN A 72 20.482 -0.368 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 72 17.803 0.201 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.263 -0.371 -11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.512 -1.795 -11.281 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.416 1.784 -11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.167 1.735 -11.746 1.00 0.00 H new ATOM 592 N ARG A 73 19.710 -2.497 -9.404 1.00 0.00 N ATOM 593 CA ARG A 73 20.034 -3.776 -8.795 1.00 0.00 C ATOM 594 C ARG A 73 21.252 -3.615 -7.896 1.00 0.00 C ATOM 595 O ARG A 73 22.374 -3.490 -8.381 1.00 0.00 O ATOM 596 CB ARG A 73 20.305 -4.820 -9.892 1.00 0.00 C ATOM 597 CG ARG A 73 19.194 -4.800 -10.952 1.00 0.00 C ATOM 598 CD ARG A 73 17.847 -5.187 -10.332 1.00 0.00 C ATOM 599 NE ARG A 73 16.772 -5.003 -11.313 1.00 0.00 N ATOM 600 CZ ARG A 73 15.920 -3.965 -11.297 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.661 -3.312 -10.156 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.332 -3.577 -12.431 1.00 0.00 N ATOM 0 H ARG A 73 20.389 -2.187 -10.100 1.00 0.00 H new ATOM 0 HA ARG A 73 19.194 -4.119 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.267 -4.617 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.371 -5.813 -9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.124 -3.806 -11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.441 -5.491 -11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.875 -6.225 -10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.654 -4.576 -9.450 1.00 0.00 H new ATOM 0 HE ARG A 73 16.666 -5.702 -12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.113 -3.602 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.012 -2.525 -10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.531 -4.068 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.684 -2.789 -12.426 1.00 0.00 H new ATOM 616 N THR A 74 21.023 -3.624 -6.582 1.00 0.00 N ATOM 617 CA THR A 74 22.088 -3.503 -5.604 1.00 0.00 C ATOM 618 C THR A 74 22.979 -4.745 -5.655 1.00 0.00 C ATOM 619 O THR A 74 22.680 -5.700 -6.374 1.00 0.00 O ATOM 620 CB THR A 74 21.466 -3.338 -4.211 1.00 0.00 C ATOM 621 OG1 THR A 74 20.508 -4.358 -3.996 1.00 0.00 O ATOM 622 CG2 THR A 74 20.784 -1.972 -4.107 1.00 0.00 C ATOM 0 H THR A 74 20.093 -3.716 -6.173 1.00 0.00 H new ATOM 0 HA THR A 74 22.704 -2.631 -5.826 1.00 0.00 H new ATOM 0 HB THR A 74 22.251 -3.409 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.112 -4.253 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.344 -1.860 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.520 -1.185 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.001 -1.898 -4.862 1.00 0.00 H new ATOM 630 N ASP A 75 24.071 -4.734 -4.885 1.00 0.00 N ATOM 631 CA ASP A 75 24.989 -5.863 -4.827 1.00 0.00 C ATOM 632 C ASP A 75 24.232 -7.134 -4.440 1.00 0.00 C ATOM 633 O ASP A 75 24.502 -8.202 -4.984 1.00 0.00 O ATOM 634 CB ASP A 75 26.109 -5.563 -3.820 1.00 0.00 C ATOM 635 CG ASP A 75 25.566 -4.931 -2.543 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.354 -3.696 -2.566 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.376 -5.686 -1.570 1.00 0.00 O ATOM 0 H ASP A 75 24.337 -3.948 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 75 25.436 -6.020 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.634 -6.486 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.838 -4.893 -4.276 1.00 0.00 H new ATOM 642 N VAL A 76 23.281 -7.015 -3.506 1.00 0.00 N ATOM 643 CA VAL A 76 22.484 -8.150 -3.065 1.00 0.00 C ATOM 644 C VAL A 76 21.669 -8.701 -4.238 1.00 0.00 C ATOM 645 O VAL A 76 21.660 -9.907 -4.473 1.00 0.00 O ATOM 646 CB VAL A 76 21.558 -7.713 -1.918 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.730 -8.911 -1.436 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.393 -7.176 -0.751 1.00 0.00 C ATOM 0 H VAL A 76 23.049 -6.136 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 76 23.142 -8.940 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 76 20.892 -6.930 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.075 -8.597 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.128 -9.292 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.398 -9.696 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.731 -6.868 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.064 -7.957 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.979 -6.320 -1.086 1.00 0.00 H new ATOM 658 N GLN A 77 20.983 -7.812 -4.971 1.00 0.00 N ATOM 659 CA GLN A 77 20.152 -8.211 -6.102 1.00 0.00 C ATOM 660 C GLN A 77 21.005 -8.871 -7.185 1.00 0.00 C ATOM 661 O GLN A 77 20.629 -9.913 -7.713 1.00 0.00 O ATOM 662 CB GLN A 77 19.426 -6.983 -6.661 1.00 0.00 C ATOM 663 CG GLN A 77 18.209 -6.665 -5.791 1.00 0.00 C ATOM 664 CD GLN A 77 17.563 -5.348 -6.209 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.653 -5.332 -7.035 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.034 -4.240 -5.635 1.00 0.00 N ATOM 0 H GLN A 77 20.992 -6.807 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 77 19.413 -8.938 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.102 -6.128 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.112 -7.170 -7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.481 -7.472 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.511 -6.610 -4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.791 -4.301 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.637 -3.332 -5.877 1.00 0.00 H new ATOM 675 N CYS A 78 22.150 -8.264 -7.515 1.00 0.00 N ATOM 676 CA CYS A 78 23.038 -8.796 -8.541 1.00 0.00 C ATOM 677 C CYS A 78 23.546 -10.176 -8.125 1.00 0.00 C ATOM 678 O CYS A 78 23.482 -11.125 -8.907 1.00 0.00 O ATOM 679 CB CYS A 78 24.212 -7.835 -8.754 1.00 0.00 C ATOM 680 SG CYS A 78 23.611 -6.336 -9.574 1.00 0.00 S ATOM 0 H CYS A 78 22.480 -7.401 -7.082 1.00 0.00 H new ATOM 0 HA CYS A 78 22.490 -8.896 -9.478 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.669 -7.582 -7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.983 -8.312 -9.360 1.00 0.00 H new ATOM 0 HG CYS A 78 23.198 -5.488 -8.679 1.00 0.00 H new ATOM 686 N GLN A 79 24.051 -10.281 -6.890 1.00 0.00 N ATOM 687 CA GLN A 79 24.576 -11.531 -6.369 1.00 0.00 C ATOM 688 C GLN A 79 23.509 -12.620 -6.432 1.00 0.00 C ATOM 689 O GLN A 79 23.759 -13.696 -6.969 1.00 0.00 O ATOM 690 CB GLN A 79 25.050 -11.317 -4.929 1.00 0.00 C ATOM 691 CG GLN A 79 25.649 -12.616 -4.383 1.00 0.00 C ATOM 692 CD GLN A 79 26.365 -12.373 -3.060 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.574 -12.563 -2.963 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.616 -11.952 -2.040 1.00 0.00 N ATOM 0 H GLN A 79 24.103 -9.502 -6.234 1.00 0.00 H new ATOM 0 HA GLN A 79 25.421 -11.854 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.793 -10.520 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.215 -11.000 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.859 -13.354 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.349 -13.031 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.614 -11.808 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.045 -11.774 -1.132 1.00 0.00 H new ATOM 703 N HIS A 80 22.322 -12.339 -5.882 1.00 0.00 N ATOM 704 CA HIS A 80 21.227 -13.297 -5.876 1.00 0.00 C ATOM 705 C HIS A 80 20.880 -13.703 -7.300 1.00 0.00 C ATOM 706 O HIS A 80 20.880 -14.885 -7.619 1.00 0.00 O ATOM 707 CB HIS A 80 20.004 -12.684 -5.188 1.00 0.00 C ATOM 708 CG HIS A 80 20.020 -12.863 -3.694 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.960 -12.471 -2.887 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.941 -13.400 -2.828 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.297 -12.786 -1.622 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.497 -13.357 -1.516 1.00 0.00 N ATOM 0 H HIS A 80 22.102 -11.449 -5.435 1.00 0.00 H new ATOM 0 HA HIS A 80 21.535 -14.186 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.958 -11.620 -5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.100 -13.138 -5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.894 -13.806 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.656 -12.594 -0.774 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.972 -13.683 -0.674 1.00 0.00 H new ATOM 720 N ARG A 81 20.579 -12.723 -8.155 1.00 0.00 N ATOM 721 CA ARG A 81 20.205 -12.997 -9.530 1.00 0.00 C ATOM 722 C ARG A 81 21.210 -13.950 -10.169 1.00 0.00 C ATOM 723 O ARG A 81 20.817 -14.859 -10.889 1.00 0.00 O ATOM 724 CB ARG A 81 20.119 -11.683 -10.318 1.00 0.00 C ATOM 725 CG ARG A 81 19.716 -11.955 -11.781 1.00 0.00 C ATOM 726 CD ARG A 81 18.326 -12.603 -11.838 1.00 0.00 C ATOM 727 NE ARG A 81 17.803 -12.616 -13.212 1.00 0.00 N ATOM 728 CZ ARG A 81 16.544 -12.982 -13.511 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.723 -13.416 -12.546 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.108 -12.914 -14.775 1.00 0.00 N ATOM 0 H ARG A 81 20.589 -11.733 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 81 19.226 -13.475 -9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.391 -11.020 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.081 -11.171 -10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.713 -11.022 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.450 -12.609 -12.252 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.381 -13.623 -11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.640 -12.057 -11.190 1.00 0.00 H new ATOM 0 HE ARG A 81 18.422 -12.335 -13.972 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.052 -13.469 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.768 -13.693 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.731 -12.584 -15.512 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.153 -13.192 -15.001 1.00 0.00 H new ATOM 744 N TRP A 82 22.508 -13.749 -9.915 1.00 0.00 N ATOM 745 CA TRP A 82 23.518 -14.594 -10.513 1.00 0.00 C ATOM 746 C TRP A 82 23.672 -15.920 -9.757 1.00 0.00 C ATOM 747 O TRP A 82 23.250 -16.961 -10.244 1.00 0.00 O ATOM 748 CB TRP A 82 24.860 -13.867 -10.590 1.00 0.00 C ATOM 749 CG TRP A 82 25.877 -14.662 -11.334 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.806 -15.461 -10.787 1.00 0.00 C ATOM 751 CD2 TRP A 82 26.032 -14.817 -12.772 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.516 -16.121 -11.757 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.074 -15.763 -13.015 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.384 -14.275 -13.904 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.440 -16.159 -14.302 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.756 -14.667 -15.204 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.778 -15.613 -15.400 1.00 0.00 C ATOM 0 H TRP A 82 22.869 -13.015 -9.306 1.00 0.00 H new ATOM 0 HA TRP A 82 23.187 -14.825 -11.525 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.724 -12.902 -11.079 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.223 -13.665 -9.582 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.972 -15.570 -9.725 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.268 -16.786 -11.574 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.594 -13.551 -13.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.229 -16.882 -14.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.252 -14.238 -16.058 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.050 -15.916 -16.400 1.00 0.00 H new ATOM 768 N GLN A 83 24.304 -15.880 -8.581 1.00 0.00 N ATOM 769 CA GLN A 83 24.625 -17.084 -7.818 1.00 0.00 C ATOM 770 C GLN A 83 23.394 -17.963 -7.569 1.00 0.00 C ATOM 771 O GLN A 83 23.518 -19.185 -7.524 1.00 0.00 O ATOM 772 CB GLN A 83 25.273 -16.682 -6.487 1.00 0.00 C ATOM 773 CG GLN A 83 26.560 -15.889 -6.756 1.00 0.00 C ATOM 774 CD GLN A 83 27.451 -15.829 -5.518 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.667 -15.963 -5.622 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.847 -15.626 -4.346 1.00 0.00 N ATOM 0 H GLN A 83 24.606 -15.014 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 83 25.322 -17.679 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.579 -16.079 -5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.499 -17.571 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.108 -16.351 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.306 -14.877 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.833 -15.520 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.399 -15.577 -3.490 1.00 0.00 H new ATOM 785 N LYS A 84 22.215 -17.356 -7.394 1.00 0.00 N ATOM 786 CA LYS A 84 21.004 -18.111 -7.094 1.00 0.00 C ATOM 787 C LYS A 84 20.321 -18.625 -8.373 1.00 0.00 C ATOM 788 O LYS A 84 19.453 -19.492 -8.281 1.00 0.00 O ATOM 789 CB LYS A 84 20.043 -17.227 -6.282 1.00 0.00 C ATOM 790 CG LYS A 84 19.254 -18.079 -5.283 1.00 0.00 C ATOM 791 CD LYS A 84 20.090 -18.307 -4.019 1.00 0.00 C ATOM 792 CE LYS A 84 19.298 -19.160 -3.025 1.00 0.00 C ATOM 793 NZ LYS A 84 20.067 -19.382 -1.788 1.00 0.00 N ATOM 0 H LYS A 84 22.079 -16.347 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 84 21.279 -18.987 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.605 -16.459 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.356 -16.712 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.319 -17.582 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.993 -19.036 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 21.026 -18.804 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.350 -17.350 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.355 -18.667 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.050 -20.119 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.508 -19.963 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.955 -19.873 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.282 -18.467 -1.344 1.00 0.00 H new ATOM 807 N VAL A 85 20.696 -18.101 -9.560 1.00 0.00 N ATOM 808 CA VAL A 85 20.071 -18.529 -10.816 1.00 0.00 C ATOM 809 C VAL A 85 21.139 -18.781 -11.896 1.00 0.00 C ATOM 810 O VAL A 85 21.390 -19.933 -12.246 1.00 0.00 O ATOM 811 CB VAL A 85 19.038 -17.482 -11.278 1.00 0.00 C ATOM 812 CG1 VAL A 85 18.147 -18.089 -12.365 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.164 -17.037 -10.097 1.00 0.00 C ATOM 0 H VAL A 85 21.420 -17.390 -9.668 1.00 0.00 H new ATOM 0 HA VAL A 85 19.547 -19.470 -10.647 1.00 0.00 H new ATOM 0 HB VAL A 85 19.568 -16.616 -11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.416 -17.349 -12.692 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.762 -18.391 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.627 -18.960 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.440 -16.298 -10.439 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.637 -17.900 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.794 -16.597 -9.324 1.00 0.00 H new ATOM 823 N LEU A 86 21.765 -17.714 -12.430 1.00 0.00 N ATOM 824 CA LEU A 86 22.789 -17.865 -13.466 1.00 0.00 C ATOM 825 C LEU A 86 24.065 -18.416 -12.842 1.00 0.00 C ATOM 826 O LEU A 86 24.944 -17.654 -12.455 1.00 0.00 O ATOM 827 CB LEU A 86 23.113 -16.516 -14.134 1.00 0.00 C ATOM 828 CG LEU A 86 21.962 -15.972 -15.000 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.377 -17.076 -15.878 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.873 -15.368 -14.118 1.00 0.00 C ATOM 0 H LEU A 86 21.577 -16.749 -12.160 1.00 0.00 H new ATOM 0 HA LEU A 86 22.403 -18.549 -14.222 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.354 -15.785 -13.362 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.002 -16.630 -14.754 1.00 0.00 H new ATOM 0 HG LEU A 86 22.362 -15.192 -15.648 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.565 -16.669 -16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.154 -17.470 -16.533 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.993 -17.878 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.066 -14.988 -14.745 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.482 -16.133 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.292 -14.551 -13.531 1.00 0.00 H new ATOM 842 N ASN A 87 24.173 -19.736 -12.750 1.00 0.00 N ATOM 843 CA ASN A 87 25.356 -20.366 -12.193 1.00 0.00 C ATOM 844 C ASN A 87 25.447 -21.812 -12.690 1.00 0.00 C ATOM 845 O ASN A 87 25.012 -22.732 -11.996 1.00 0.00 O ATOM 846 CB ASN A 87 25.283 -20.308 -10.660 1.00 0.00 C ATOM 847 CG ASN A 87 26.593 -20.771 -10.029 1.00 0.00 C ATOM 848 OD1 ASN A 87 27.408 -19.950 -9.618 1.00 0.00 O ATOM 849 ND2 ASN A 87 26.793 -22.085 -9.953 1.00 0.00 N ATOM 0 H ASN A 87 23.452 -20.389 -13.056 1.00 0.00 H new ATOM 0 HA ASN A 87 26.253 -19.839 -12.517 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.063 -19.289 -10.342 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.464 -20.936 -10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.652 -22.447 -9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 87 26.087 -22.730 -10.308 1.00 0.00 H new ATOM 856 N PRO A 88 26.013 -22.022 -13.895 1.00 0.00 N ATOM 857 CA PRO A 88 26.156 -23.345 -14.468 1.00 0.00 C ATOM 858 C PRO A 88 27.062 -24.208 -13.591 1.00 0.00 C ATOM 859 O PRO A 88 26.705 -25.335 -13.251 1.00 0.00 O ATOM 860 CB PRO A 88 26.755 -23.137 -15.864 1.00 0.00 C ATOM 861 CG PRO A 88 26.979 -21.629 -16.035 1.00 0.00 C ATOM 862 CD PRO A 88 26.527 -20.961 -14.736 1.00 0.00 C ATOM 0 HA PRO A 88 25.201 -23.867 -14.532 1.00 0.00 H new ATOM 0 HB2 PRO A 88 27.694 -23.680 -15.966 1.00 0.00 H new ATOM 0 HB3 PRO A 88 26.082 -23.517 -16.633 1.00 0.00 H new ATOM 0 HG2 PRO A 88 28.029 -21.415 -16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.410 -21.248 -16.883 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.358 -20.448 -14.252 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.760 -20.211 -14.930 1.00 0.00 H new ATOM 870 N GLU A 89 28.235 -23.668 -13.227 1.00 0.00 N ATOM 871 CA GLU A 89 29.198 -24.368 -12.389 1.00 0.00 C ATOM 872 C GLU A 89 29.613 -23.464 -11.232 1.00 0.00 C ATOM 873 O GLU A 89 29.609 -22.242 -11.362 1.00 0.00 O ATOM 874 CB GLU A 89 30.418 -24.758 -13.230 1.00 0.00 C ATOM 875 CG GLU A 89 30.013 -25.772 -14.303 1.00 0.00 C ATOM 876 CD GLU A 89 31.230 -26.243 -15.087 1.00 0.00 C ATOM 877 OE1 GLU A 89 31.928 -27.140 -14.567 1.00 0.00 O ATOM 878 OE2 GLU A 89 31.440 -25.695 -16.191 1.00 0.00 O ATOM 0 H GLU A 89 28.535 -22.735 -13.509 1.00 0.00 H new ATOM 0 HA GLU A 89 28.748 -25.274 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 89 30.845 -23.871 -13.699 1.00 0.00 H new ATOM 0 HB3 GLU A 89 31.191 -25.183 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 89 29.522 -26.626 -13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 89 29.289 -25.321 -14.982 1.00 0.00 H new HETATM 885 N NH2 A 90 29.971 -24.066 -10.098 1.00 0.00 N TER 888 NH2 A 90