USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0812 K(o=-0.081,f=-0.65) USER MOD Single : A 23 ASN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 48:sc= -3.09! USER MOD Single : A 32 GLN : amide:sc=-0.00981 X(o=-0.0098,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 35 SER OG : rot 37:sc= 0.863 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 44 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.12) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0201 (180deg=-0.216) USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= 0.501 (180deg=0.043) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 30:sc= 0.0763 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -5.122 22.125 0.898 1.00 0.00 N ATOM 2 CA ALA A 16 -4.150 22.588 -0.125 1.00 0.00 C ATOM 3 C ALA A 16 -4.314 21.810 -1.425 1.00 0.00 C ATOM 4 O ALA A 16 -4.288 22.388 -2.513 1.00 0.00 O ATOM 5 CB ALA A 16 -2.728 22.443 0.399 1.00 0.00 C ATOM 0 HA ALA A 16 -4.347 23.640 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.024 22.785 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.610 23.043 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.531 21.396 0.631 1.00 0.00 H new ATOM 13 N LYS A 17 -4.484 20.497 -1.308 1.00 0.00 N ATOM 14 CA LYS A 17 -4.653 19.642 -2.477 1.00 0.00 C ATOM 15 C LYS A 17 -5.754 18.613 -2.241 1.00 0.00 C ATOM 16 O LYS A 17 -6.028 18.233 -1.101 1.00 0.00 O ATOM 17 CB LYS A 17 -3.339 18.932 -2.810 1.00 0.00 C ATOM 18 CG LYS A 17 -3.425 18.034 -4.034 1.00 0.00 C ATOM 19 CD LYS A 17 -3.622 18.841 -5.306 1.00 0.00 C ATOM 20 CE LYS A 17 -2.295 19.181 -5.967 1.00 0.00 C ATOM 21 NZ LYS A 17 -2.149 18.521 -7.293 1.00 0.00 N ATOM 0 H LYS A 17 -4.508 20.002 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.941 20.271 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.563 19.680 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.031 18.334 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.514 17.441 -4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.252 17.334 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.242 18.277 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.159 19.761 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.217 20.261 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.476 18.873 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.232 18.778 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.198 17.489 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.915 18.834 -7.923 1.00 0.00 H new ATOM 35 N ARG A 18 -6.383 18.168 -3.323 1.00 0.00 N ATOM 36 CA ARG A 18 -7.455 17.184 -3.233 1.00 0.00 C ATOM 37 C ARG A 18 -7.309 16.118 -4.312 1.00 0.00 C ATOM 38 O ARG A 18 -6.713 16.360 -5.362 1.00 0.00 O ATOM 39 CB ARG A 18 -8.817 17.872 -3.359 1.00 0.00 C ATOM 40 CG ARG A 18 -9.128 18.823 -2.217 1.00 0.00 C ATOM 41 CD ARG A 18 -10.291 19.741 -2.557 1.00 0.00 C ATOM 42 NE ARG A 18 -11.575 19.051 -2.474 1.00 0.00 N ATOM 43 CZ ARG A 18 -12.217 18.811 -1.333 1.00 0.00 C ATOM 44 NH1 ARG A 18 -11.696 19.203 -0.176 1.00 0.00 N ATOM 45 NH2 ARG A 18 -13.381 18.176 -1.347 1.00 0.00 N ATOM 0 H ARG A 18 -6.169 18.473 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.388 16.699 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.850 18.423 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.596 17.111 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.365 18.251 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.246 19.421 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.292 20.592 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.157 20.138 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.006 18.734 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.800 19.690 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.192 19.017 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.785 17.871 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.872 17.992 -0.472 1.00 0.00 H new ATOM 59 N GLU A 19 -7.859 14.937 -4.048 1.00 0.00 N ATOM 60 CA GLU A 19 -7.793 13.831 -4.996 1.00 0.00 C ATOM 61 C GLU A 19 -6.349 13.411 -5.251 1.00 0.00 C ATOM 62 O GLU A 19 -5.571 14.154 -5.850 1.00 0.00 O ATOM 63 CB GLU A 19 -8.461 14.221 -6.316 1.00 0.00 C ATOM 64 CG GLU A 19 -9.199 13.074 -6.986 1.00 0.00 C ATOM 65 CD GLU A 19 -8.773 12.866 -8.426 1.00 0.00 C ATOM 66 OE1 GLU A 19 -8.304 13.839 -9.052 1.00 0.00 O ATOM 67 OE2 GLU A 19 -8.910 11.730 -8.928 1.00 0.00 O ATOM 0 H GLU A 19 -8.356 14.721 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.326 12.985 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.162 15.035 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.702 14.602 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.024 12.157 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.271 13.268 -6.953 1.00 0.00 H new ATOM 74 N PHE A 20 -5.999 12.214 -4.792 1.00 0.00 N ATOM 75 CA PHE A 20 -4.650 11.688 -4.972 1.00 0.00 C ATOM 76 C PHE A 20 -4.686 10.354 -5.706 1.00 0.00 C ATOM 77 O PHE A 20 -5.748 9.890 -6.122 1.00 0.00 O ATOM 78 CB PHE A 20 -3.964 11.510 -3.614 1.00 0.00 C ATOM 79 CG PHE A 20 -4.738 10.646 -2.661 1.00 0.00 C ATOM 80 CD1 PHE A 20 -4.898 9.292 -2.908 1.00 0.00 C ATOM 81 CD2 PHE A 20 -5.306 11.187 -1.520 1.00 0.00 C ATOM 82 CE1 PHE A 20 -5.610 8.493 -2.034 1.00 0.00 C ATOM 83 CE2 PHE A 20 -6.020 10.394 -0.641 1.00 0.00 C ATOM 84 CZ PHE A 20 -6.172 9.045 -0.898 1.00 0.00 C ATOM 0 H PHE A 20 -6.631 11.589 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.084 12.403 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.977 11.073 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.811 12.490 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.461 8.856 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.190 12.241 -1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.727 7.439 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.458 10.828 0.245 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.729 8.423 -0.213 1.00 0.00 H new ATOM 94 N ASN A 21 -3.521 9.734 -5.852 1.00 0.00 N ATOM 95 CA ASN A 21 -3.419 8.446 -6.524 1.00 0.00 C ATOM 96 C ASN A 21 -3.886 7.326 -5.600 1.00 0.00 C ATOM 97 O ASN A 21 -3.277 7.068 -4.563 1.00 0.00 O ATOM 98 CB ASN A 21 -1.979 8.201 -6.974 1.00 0.00 C ATOM 99 CG ASN A 21 -1.777 8.495 -8.448 1.00 0.00 C ATOM 100 OD1 ASN A 21 -2.590 8.107 -9.288 1.00 0.00 O ATOM 101 ND2 ASN A 21 -0.689 9.183 -8.770 1.00 0.00 N ATOM 0 H ASN A 21 -2.633 10.104 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.063 8.458 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.306 8.825 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.709 7.164 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.500 9.410 -9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.042 9.485 -8.041 1.00 0.00 H new ATOM 108 N GLU A 22 -4.985 6.678 -5.973 1.00 0.00 N ATOM 109 CA GLU A 22 -5.547 5.598 -5.169 1.00 0.00 C ATOM 110 C GLU A 22 -4.835 4.276 -5.431 1.00 0.00 C ATOM 111 O GLU A 22 -5.002 3.666 -6.488 1.00 0.00 O ATOM 112 CB GLU A 22 -7.044 5.451 -5.452 1.00 0.00 C ATOM 113 CG GLU A 22 -7.897 5.387 -4.195 1.00 0.00 C ATOM 114 CD GLU A 22 -9.347 5.058 -4.490 1.00 0.00 C ATOM 115 OE1 GLU A 22 -9.818 5.393 -5.599 1.00 0.00 O ATOM 116 OE2 GLU A 22 -10.013 4.467 -3.614 1.00 0.00 O ATOM 0 H GLU A 22 -5.504 6.882 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.402 5.856 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.374 6.291 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.207 4.547 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.488 4.635 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.844 6.344 -3.675 1.00 0.00 H new ATOM 123 N ASN A 23 -4.048 3.833 -4.455 1.00 0.00 N ATOM 124 CA ASN A 23 -3.316 2.577 -4.569 1.00 0.00 C ATOM 125 C ASN A 23 -2.354 2.603 -5.745 1.00 0.00 C ATOM 126 O ASN A 23 -2.202 1.620 -6.471 1.00 0.00 O ATOM 127 CB ASN A 23 -4.278 1.417 -4.734 1.00 0.00 C ATOM 128 CG ASN A 23 -4.904 0.984 -3.424 1.00 0.00 C ATOM 129 OD1 ASN A 23 -4.763 -0.165 -3.005 1.00 0.00 O ATOM 130 ND2 ASN A 23 -5.602 1.904 -2.767 1.00 0.00 N ATOM 0 H ASN A 23 -3.901 4.327 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.742 2.448 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.066 1.700 -5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.749 0.572 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.046 1.670 -1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.694 2.845 -3.150 1.00 0.00 H new ATOM 137 N ARG A 24 -1.715 3.738 -5.919 1.00 0.00 N ATOM 138 CA ARG A 24 -0.755 3.936 -6.999 1.00 0.00 C ATOM 139 C ARG A 24 0.434 4.760 -6.515 1.00 0.00 C ATOM 140 O ARG A 24 1.591 4.415 -6.757 1.00 0.00 O ATOM 141 CB ARG A 24 -1.430 4.642 -8.176 1.00 0.00 C ATOM 142 CG ARG A 24 -2.683 3.940 -8.668 1.00 0.00 C ATOM 143 CD ARG A 24 -3.554 4.874 -9.494 1.00 0.00 C ATOM 144 NE ARG A 24 -4.597 4.152 -10.220 1.00 0.00 N ATOM 145 CZ ARG A 24 -4.395 3.520 -11.373 1.00 0.00 C ATOM 146 NH1 ARG A 24 -3.192 3.515 -11.934 1.00 0.00 N ATOM 147 NH2 ARG A 24 -5.398 2.890 -11.968 1.00 0.00 N ATOM 0 H ARG A 24 -1.841 4.554 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.394 2.960 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.686 5.659 -7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.719 4.718 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.405 3.074 -9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.252 3.568 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.014 5.614 -8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.930 5.419 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.535 4.132 -9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.416 3.998 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.044 3.029 -12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.325 2.890 -11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.243 2.405 -12.852 1.00 0.00 H new ATOM 161 N TYR A 25 0.126 5.855 -5.833 1.00 0.00 N ATOM 162 CA TYR A 25 1.134 6.765 -5.297 1.00 0.00 C ATOM 163 C TYR A 25 2.263 6.021 -4.589 1.00 0.00 C ATOM 164 O TYR A 25 3.439 6.341 -4.762 1.00 0.00 O ATOM 165 CB TYR A 25 0.473 7.726 -4.303 1.00 0.00 C ATOM 166 CG TYR A 25 -0.072 7.024 -3.074 1.00 0.00 C ATOM 167 CD1 TYR A 25 -1.086 6.081 -3.185 1.00 0.00 C ATOM 168 CD2 TYR A 25 0.437 7.290 -1.808 1.00 0.00 C ATOM 169 CE1 TYR A 25 -1.578 5.424 -2.076 1.00 0.00 C ATOM 170 CE2 TYR A 25 -0.054 6.638 -0.691 1.00 0.00 C ATOM 171 CZ TYR A 25 -1.060 5.707 -0.831 1.00 0.00 C ATOM 172 OH TYR A 25 -1.548 5.054 0.278 1.00 0.00 O ATOM 0 H TYR A 25 -0.833 6.140 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 25 1.565 7.310 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.200 8.477 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.339 8.255 -4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.497 5.858 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.228 8.017 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.365 4.692 -2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.349 6.858 0.286 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.075 5.368 1.077 1.00 0.00 H new ATOM 182 N LEU A 26 1.890 5.052 -3.766 1.00 0.00 N ATOM 183 CA LEU A 26 2.852 4.281 -2.993 1.00 0.00 C ATOM 184 C LEU A 26 2.615 2.777 -3.158 1.00 0.00 C ATOM 185 O LEU A 26 3.257 1.957 -2.502 1.00 0.00 O ATOM 186 CB LEU A 26 2.737 4.712 -1.523 1.00 0.00 C ATOM 187 CG LEU A 26 2.908 3.621 -0.460 1.00 0.00 C ATOM 188 CD1 LEU A 26 3.217 4.247 0.890 1.00 0.00 C ATOM 189 CD2 LEU A 26 1.655 2.757 -0.376 1.00 0.00 C ATOM 0 H LEU A 26 0.919 4.779 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 26 3.862 4.476 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.483 5.485 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.759 5.172 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 26 3.744 2.983 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.336 3.462 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.139 4.825 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.398 4.904 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.794 1.988 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.801 3.380 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.473 2.285 -1.342 1.00 0.00 H new ATOM 201 N THR A 27 1.686 2.417 -4.033 1.00 0.00 N ATOM 202 CA THR A 27 1.371 1.018 -4.266 1.00 0.00 C ATOM 203 C THR A 27 2.378 0.363 -5.217 1.00 0.00 C ATOM 204 O THR A 27 3.373 -0.210 -4.778 1.00 0.00 O ATOM 205 CB THR A 27 -0.050 0.887 -4.818 1.00 0.00 C ATOM 206 OG1 THR A 27 -1.002 1.215 -3.824 1.00 0.00 O ATOM 207 CG2 THR A 27 -0.379 -0.500 -5.325 1.00 0.00 C ATOM 0 H THR A 27 1.140 3.074 -4.591 1.00 0.00 H new ATOM 0 HA THR A 27 1.435 0.495 -3.312 1.00 0.00 H new ATOM 0 HB THR A 27 -0.094 1.579 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.747 2.057 -3.392 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.402 -0.517 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.307 -0.766 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.280 -1.218 -4.511 1.00 0.00 H new ATOM 215 N GLU A 28 2.099 0.437 -6.518 1.00 0.00 N ATOM 216 CA GLU A 28 2.961 -0.166 -7.533 1.00 0.00 C ATOM 217 C GLU A 28 4.366 0.437 -7.544 1.00 0.00 C ATOM 218 O GLU A 28 5.358 -0.290 -7.591 1.00 0.00 O ATOM 219 CB GLU A 28 2.327 -0.010 -8.916 1.00 0.00 C ATOM 220 CG GLU A 28 0.845 -0.349 -8.947 1.00 0.00 C ATOM 221 CD GLU A 28 0.471 -1.222 -10.129 1.00 0.00 C ATOM 222 OE1 GLU A 28 1.324 -2.023 -10.570 1.00 0.00 O ATOM 223 OE2 GLU A 28 -0.674 -1.106 -10.615 1.00 0.00 O ATOM 0 H GLU A 28 1.278 0.911 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 28 3.060 -1.222 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.464 1.017 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.853 -0.652 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.573 -0.859 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.266 0.574 -8.984 1.00 0.00 H new ATOM 230 N ARG A 29 4.447 1.763 -7.522 1.00 0.00 N ATOM 231 CA ARG A 29 5.735 2.447 -7.554 1.00 0.00 C ATOM 232 C ARG A 29 6.590 2.078 -6.348 1.00 0.00 C ATOM 233 O ARG A 29 7.774 1.770 -6.484 1.00 0.00 O ATOM 234 CB ARG A 29 5.529 3.962 -7.603 1.00 0.00 C ATOM 235 CG ARG A 29 5.198 4.487 -8.992 1.00 0.00 C ATOM 236 CD ARG A 29 6.123 5.623 -9.398 1.00 0.00 C ATOM 237 NE ARG A 29 7.383 5.133 -9.955 1.00 0.00 N ATOM 238 CZ ARG A 29 8.476 5.880 -10.087 1.00 0.00 C ATOM 239 NH1 ARG A 29 8.472 7.151 -9.702 1.00 0.00 N ATOM 240 NH2 ARG A 29 9.578 5.355 -10.605 1.00 0.00 N ATOM 0 H ARG A 29 3.639 2.384 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 29 6.260 2.126 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.724 4.233 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.432 4.455 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.278 3.676 -9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.165 4.833 -9.014 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.622 6.253 -10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.330 6.249 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 29 7.427 4.161 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.627 7.560 -9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.313 7.718 -9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.587 4.379 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.416 5.927 -10.707 1.00 0.00 H new ATOM 254 N ARG A 30 5.984 2.121 -5.172 1.00 0.00 N ATOM 255 CA ARG A 30 6.692 1.801 -3.935 1.00 0.00 C ATOM 256 C ARG A 30 6.804 0.290 -3.724 1.00 0.00 C ATOM 257 O ARG A 30 7.689 -0.177 -3.007 1.00 0.00 O ATOM 258 CB ARG A 30 5.998 2.459 -2.740 1.00 0.00 C ATOM 259 CG ARG A 30 6.856 3.507 -2.047 1.00 0.00 C ATOM 260 CD ARG A 30 6.500 3.642 -0.574 1.00 0.00 C ATOM 261 NE ARG A 30 7.690 3.721 0.270 1.00 0.00 N ATOM 262 CZ ARG A 30 8.586 4.704 0.202 1.00 0.00 C ATOM 263 NH1 ARG A 30 8.428 5.699 -0.661 1.00 0.00 N ATOM 264 NH2 ARG A 30 9.642 4.694 1.003 1.00 0.00 N ATOM 0 H ARG A 30 5.004 2.374 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 30 7.704 2.197 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.072 2.924 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.724 1.689 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.908 3.238 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.726 4.469 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.892 4.535 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.894 2.790 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 30 7.844 2.979 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.616 5.715 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.118 6.448 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.768 3.934 1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.328 5.447 0.951 1.00 0.00 H new ATOM 278 N ARG A 31 5.904 -0.470 -4.344 1.00 0.00 N ATOM 279 CA ARG A 31 5.911 -1.924 -4.209 1.00 0.00 C ATOM 280 C ARG A 31 7.246 -2.506 -4.655 1.00 0.00 C ATOM 281 O ARG A 31 7.775 -3.427 -4.031 1.00 0.00 O ATOM 282 CB ARG A 31 4.780 -2.542 -5.035 1.00 0.00 C ATOM 283 CG ARG A 31 3.580 -2.967 -4.206 1.00 0.00 C ATOM 284 CD ARG A 31 2.442 -3.464 -5.085 1.00 0.00 C ATOM 285 NE ARG A 31 2.713 -4.790 -5.638 1.00 0.00 N ATOM 286 CZ ARG A 31 3.337 -5.004 -6.795 1.00 0.00 C ATOM 287 NH1 ARG A 31 3.787 -3.984 -7.517 1.00 0.00 N ATOM 288 NH2 ARG A 31 3.519 -6.243 -7.229 1.00 0.00 N ATOM 0 H ARG A 31 5.163 -0.105 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 31 5.760 -2.163 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.455 -1.822 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.166 -3.409 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.876 -3.754 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.236 -2.126 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.522 -3.496 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.279 -2.758 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 31 2.405 -5.603 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.656 -3.028 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.264 -4.157 -8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.181 -7.031 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.997 -6.408 -8.115 1.00 0.00 H new ATOM 302 N GLN A 32 7.783 -1.966 -5.740 1.00 0.00 N ATOM 303 CA GLN A 32 9.057 -2.434 -6.272 1.00 0.00 C ATOM 304 C GLN A 32 10.194 -2.151 -5.297 1.00 0.00 C ATOM 305 O GLN A 32 11.100 -2.968 -5.130 1.00 0.00 O ATOM 306 CB GLN A 32 9.346 -1.768 -7.619 1.00 0.00 C ATOM 307 CG GLN A 32 10.074 -2.672 -8.600 1.00 0.00 C ATOM 308 CD GLN A 32 9.347 -2.805 -9.924 1.00 0.00 C ATOM 309 OE1 GLN A 32 9.866 -2.420 -10.972 1.00 0.00 O ATOM 310 NE2 GLN A 32 8.137 -3.352 -9.884 1.00 0.00 N ATOM 0 H GLN A 32 7.358 -1.205 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 32 8.987 -3.512 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.405 -1.445 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.943 -0.872 -7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.074 -2.277 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.195 -3.660 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.745 -3.657 -8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.600 -3.467 -10.744 1.00 0.00 H new ATOM 319 N GLN A 33 10.142 -0.989 -4.653 1.00 0.00 N ATOM 320 CA GLN A 33 11.169 -0.598 -3.695 1.00 0.00 C ATOM 321 C GLN A 33 11.005 -1.350 -2.379 1.00 0.00 C ATOM 322 O GLN A 33 11.987 -1.688 -1.719 1.00 0.00 O ATOM 323 CB GLN A 33 11.114 0.909 -3.444 1.00 0.00 C ATOM 324 CG GLN A 33 11.016 1.736 -4.716 1.00 0.00 C ATOM 325 CD GLN A 33 12.279 2.526 -5.000 1.00 0.00 C ATOM 326 OE1 GLN A 33 13.319 2.302 -4.380 1.00 0.00 O ATOM 327 NE2 GLN A 33 12.195 3.459 -5.941 1.00 0.00 N ATOM 0 H GLN A 33 9.399 -0.302 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 33 12.140 -0.855 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.257 1.132 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.005 1.210 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.808 1.076 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.174 2.423 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.313 3.612 -6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.012 4.023 -6.174 1.00 0.00 H new ATOM 336 N LEU A 34 9.757 -1.604 -2.000 1.00 0.00 N ATOM 337 CA LEU A 34 9.468 -2.311 -0.758 1.00 0.00 C ATOM 338 C LEU A 34 10.004 -3.736 -0.802 1.00 0.00 C ATOM 339 O LEU A 34 10.514 -4.248 0.195 1.00 0.00 O ATOM 340 CB LEU A 34 7.962 -2.320 -0.493 1.00 0.00 C ATOM 341 CG LEU A 34 7.444 -1.112 0.294 1.00 0.00 C ATOM 342 CD1 LEU A 34 6.509 -0.271 -0.563 1.00 0.00 C ATOM 343 CD2 LEU A 34 6.743 -1.564 1.568 1.00 0.00 C ATOM 0 H LEU A 34 8.931 -1.332 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 34 9.968 -1.786 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.439 -2.366 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.708 -3.228 0.053 1.00 0.00 H new ATOM 0 HG LEU A 34 8.298 -0.494 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.153 0.581 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.044 0.086 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.659 -0.877 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.382 -0.692 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.900 -2.206 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.444 -2.118 2.192 1.00 0.00 H new ATOM 355 N SER A 35 9.890 -4.373 -1.961 1.00 0.00 N ATOM 356 CA SER A 35 10.368 -5.739 -2.127 1.00 0.00 C ATOM 357 C SER A 35 11.884 -5.806 -1.958 1.00 0.00 C ATOM 358 O SER A 35 12.396 -6.593 -1.161 1.00 0.00 O ATOM 359 CB SER A 35 9.977 -6.275 -3.505 1.00 0.00 C ATOM 360 OG SER A 35 10.377 -7.625 -3.661 1.00 0.00 O ATOM 0 H SER A 35 9.472 -3.966 -2.798 1.00 0.00 H new ATOM 0 HA SER A 35 9.903 -6.356 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.898 -6.195 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.439 -5.664 -4.280 1.00 0.00 H new ATOM 0 HG SER A 35 10.271 -8.098 -2.809 1.00 0.00 H new ATOM 366 N SER A 36 12.596 -4.976 -2.714 1.00 0.00 N ATOM 367 CA SER A 36 14.054 -4.938 -2.654 1.00 0.00 C ATOM 368 C SER A 36 14.542 -4.387 -1.317 1.00 0.00 C ATOM 369 O SER A 36 15.540 -4.853 -0.769 1.00 0.00 O ATOM 370 CB SER A 36 14.609 -4.090 -3.798 1.00 0.00 C ATOM 371 OG SER A 36 16.024 -4.155 -3.841 1.00 0.00 O ATOM 0 H SER A 36 12.186 -4.319 -3.377 1.00 0.00 H new ATOM 0 HA SER A 36 14.417 -5.961 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.197 -4.437 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.293 -3.054 -3.674 1.00 0.00 H new ATOM 0 HG SER A 36 16.354 -3.606 -4.582 1.00 0.00 H new ATOM 377 N GLU A 37 13.839 -3.382 -0.801 1.00 0.00 N ATOM 378 CA GLU A 37 14.208 -2.759 0.464 1.00 0.00 C ATOM 379 C GLU A 37 14.070 -3.736 1.626 1.00 0.00 C ATOM 380 O GLU A 37 14.976 -3.871 2.447 1.00 0.00 O ATOM 381 CB GLU A 37 13.345 -1.523 0.717 1.00 0.00 C ATOM 382 CG GLU A 37 13.739 -0.322 -0.128 1.00 0.00 C ATOM 383 CD GLU A 37 14.408 0.769 0.684 1.00 0.00 C ATOM 384 OE1 GLU A 37 15.060 0.439 1.698 1.00 0.00 O ATOM 385 OE2 GLU A 37 14.282 1.953 0.307 1.00 0.00 O ATOM 0 H GLU A 37 13.010 -2.982 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 37 15.254 -2.460 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.303 -1.771 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.412 -1.253 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.414 -0.646 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.851 0.084 -0.612 1.00 0.00 H new ATOM 392 N LEU A 38 12.928 -4.411 1.694 1.00 0.00 N ATOM 393 CA LEU A 38 12.673 -5.371 2.764 1.00 0.00 C ATOM 394 C LEU A 38 13.252 -6.743 2.428 1.00 0.00 C ATOM 395 O LEU A 38 13.478 -7.565 3.316 1.00 0.00 O ATOM 396 CB LEU A 38 11.172 -5.489 3.028 1.00 0.00 C ATOM 397 CG LEU A 38 10.562 -4.329 3.817 1.00 0.00 C ATOM 398 CD1 LEU A 38 9.887 -3.340 2.881 1.00 0.00 C ATOM 399 CD2 LEU A 38 9.573 -4.846 4.851 1.00 0.00 C ATOM 0 H LEU A 38 12.166 -4.312 1.024 1.00 0.00 H new ATOM 0 HA LEU A 38 13.167 -5.004 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.655 -5.570 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.985 -6.416 3.571 1.00 0.00 H new ATOM 0 HG LEU A 38 11.366 -3.812 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.460 -2.523 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.622 -2.942 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.095 -3.845 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.150 -4.006 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.773 -5.390 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.086 -5.513 5.544 1.00 0.00 H new ATOM 411 N GLY A 39 13.489 -6.987 1.143 1.00 0.00 N ATOM 412 CA GLY A 39 14.040 -8.263 0.723 1.00 0.00 C ATOM 413 C GLY A 39 13.029 -9.387 0.812 1.00 0.00 C ATOM 414 O GLY A 39 13.394 -10.546 1.009 1.00 0.00 O ATOM 0 H GLY A 39 13.310 -6.326 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.398 -8.181 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.903 -8.505 1.343 1.00 0.00 H new ATOM 418 N LEU A 40 11.753 -9.047 0.663 1.00 0.00 N ATOM 419 CA LEU A 40 10.684 -10.039 0.727 1.00 0.00 C ATOM 420 C LEU A 40 10.110 -10.307 -0.657 1.00 0.00 C ATOM 421 O LEU A 40 10.317 -9.533 -1.591 1.00 0.00 O ATOM 422 CB LEU A 40 9.564 -9.583 1.670 1.00 0.00 C ATOM 423 CG LEU A 40 9.521 -8.085 1.966 1.00 0.00 C ATOM 424 CD1 LEU A 40 9.002 -7.322 0.757 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.654 -7.811 3.187 1.00 0.00 C ATOM 0 H LEU A 40 11.433 -8.093 0.497 1.00 0.00 H new ATOM 0 HA LEU A 40 11.116 -10.961 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.607 -9.878 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.667 -10.119 2.614 1.00 0.00 H new ATOM 0 HG LEU A 40 10.533 -7.742 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.977 -6.256 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.660 -7.497 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.996 -7.665 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.633 -6.739 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.640 -8.165 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.067 -8.332 4.051 1.00 0.00 H new ATOM 437 N ASN A 41 9.382 -11.409 -0.775 1.00 0.00 N ATOM 438 CA ASN A 41 8.764 -11.787 -2.037 1.00 0.00 C ATOM 439 C ASN A 41 7.422 -11.082 -2.206 1.00 0.00 C ATOM 440 O ASN A 41 6.732 -10.799 -1.228 1.00 0.00 O ATOM 441 CB ASN A 41 8.574 -13.307 -2.096 1.00 0.00 C ATOM 442 CG ASN A 41 7.842 -13.759 -3.346 1.00 0.00 C ATOM 443 OD1 ASN A 41 6.885 -14.527 -3.273 1.00 0.00 O ATOM 444 ND2 ASN A 41 8.291 -13.281 -4.500 1.00 0.00 N ATOM 0 H ASN A 41 9.205 -12.058 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 41 9.421 -11.481 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.549 -13.792 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.019 -13.634 -1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.838 -13.549 -5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.089 -12.646 -4.513 1.00 0.00 H new ATOM 451 N GLU A 42 7.057 -10.806 -3.452 1.00 0.00 N ATOM 452 CA GLU A 42 5.795 -10.138 -3.751 1.00 0.00 C ATOM 453 C GLU A 42 4.636 -10.865 -3.078 1.00 0.00 C ATOM 454 O GLU A 42 3.638 -10.254 -2.698 1.00 0.00 O ATOM 455 CB GLU A 42 5.567 -10.099 -5.259 1.00 0.00 C ATOM 456 CG GLU A 42 4.781 -8.886 -5.728 1.00 0.00 C ATOM 457 CD GLU A 42 5.677 -7.759 -6.204 1.00 0.00 C ATOM 458 OE1 GLU A 42 6.127 -6.959 -5.357 1.00 0.00 O ATOM 459 OE2 GLU A 42 5.929 -7.677 -7.425 1.00 0.00 O ATOM 0 H GLU A 42 7.617 -11.034 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 42 5.845 -9.119 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.533 -10.112 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.037 -11.003 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.113 -9.181 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.154 -8.527 -4.912 1.00 0.00 H new ATOM 466 N ALA A 43 4.785 -12.175 -2.927 1.00 0.00 N ATOM 467 CA ALA A 43 3.756 -12.984 -2.286 1.00 0.00 C ATOM 468 C ALA A 43 3.512 -12.480 -0.870 1.00 0.00 C ATOM 469 O ALA A 43 2.388 -12.507 -0.368 1.00 0.00 O ATOM 470 CB ALA A 43 4.165 -14.449 -2.271 1.00 0.00 C ATOM 0 H ALA A 43 5.604 -12.698 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 43 2.830 -12.896 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.386 -15.039 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.304 -14.798 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.098 -14.561 -1.719 1.00 0.00 H new ATOM 476 N GLN A 44 4.577 -11.984 -0.249 1.00 0.00 N ATOM 477 CA GLN A 44 4.499 -11.425 1.095 1.00 0.00 C ATOM 478 C GLN A 44 3.916 -10.020 1.030 1.00 0.00 C ATOM 479 O GLN A 44 3.303 -9.537 1.981 1.00 0.00 O ATOM 480 CB GLN A 44 5.890 -11.363 1.717 1.00 0.00 C ATOM 481 CG GLN A 44 6.471 -12.724 2.061 1.00 0.00 C ATOM 482 CD GLN A 44 5.686 -13.438 3.145 1.00 0.00 C ATOM 483 OE1 GLN A 44 5.305 -14.598 2.988 1.00 0.00 O ATOM 484 NE2 GLN A 44 5.440 -12.746 4.252 1.00 0.00 N ATOM 0 H GLN A 44 5.511 -11.958 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 44 3.859 -12.062 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.564 -10.855 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.846 -10.758 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.491 -13.343 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.504 -12.602 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.775 -11.787 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.916 -13.174 5.015 1.00 0.00 H new ATOM 493 N ILE A 45 4.129 -9.374 -0.111 1.00 0.00 N ATOM 494 CA ILE A 45 3.650 -8.019 -0.342 1.00 0.00 C ATOM 495 C ILE A 45 2.123 -7.976 -0.359 1.00 0.00 C ATOM 496 O ILE A 45 1.518 -7.049 0.178 1.00 0.00 O ATOM 497 CB ILE A 45 4.215 -7.463 -1.671 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.737 -7.325 -1.573 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.583 -6.123 -2.031 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.185 -6.260 -0.597 1.00 0.00 C ATOM 0 H ILE A 45 4.637 -9.775 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 45 4.002 -7.393 0.478 1.00 0.00 H new ATOM 0 HB ILE A 45 3.967 -8.168 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.162 -8.283 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.137 -7.093 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.004 -5.763 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.505 -6.246 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.787 -5.400 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.274 -6.218 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.789 -5.293 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.815 -6.501 0.400 1.00 0.00 H new ATOM 512 N LYS A 46 1.497 -8.985 -0.958 1.00 0.00 N ATOM 513 CA LYS A 46 0.040 -9.042 -1.010 1.00 0.00 C ATOM 514 C LYS A 46 -0.525 -9.023 0.405 1.00 0.00 C ATOM 515 O LYS A 46 -1.394 -8.215 0.734 1.00 0.00 O ATOM 516 CB LYS A 46 -0.421 -10.302 -1.745 1.00 0.00 C ATOM 517 CG LYS A 46 -1.829 -10.196 -2.309 1.00 0.00 C ATOM 518 CD LYS A 46 -2.301 -11.522 -2.890 1.00 0.00 C ATOM 519 CE LYS A 46 -2.557 -11.417 -4.385 1.00 0.00 C ATOM 520 NZ LYS A 46 -3.209 -12.642 -4.924 1.00 0.00 N ATOM 0 H LYS A 46 1.970 -9.767 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.328 -8.172 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.273 -10.512 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.375 -11.149 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.514 -9.878 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.855 -9.429 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.551 -12.290 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.214 -11.837 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.189 -10.552 -4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.613 -11.250 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.366 -12.530 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.595 -13.465 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.122 -12.788 -4.447 1.00 0.00 H new ATOM 534 N ILE A 47 -0.001 -9.912 1.238 1.00 0.00 N ATOM 535 CA ILE A 47 -0.414 -10.008 2.633 1.00 0.00 C ATOM 536 C ILE A 47 0.053 -8.782 3.410 1.00 0.00 C ATOM 537 O ILE A 47 -0.698 -8.192 4.184 1.00 0.00 O ATOM 538 CB ILE A 47 0.171 -11.281 3.290 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.836 -12.430 3.209 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.580 -11.027 4.739 1.00 0.00 C ATOM 541 CD1 ILE A 47 -0.595 -13.363 2.042 1.00 0.00 C ATOM 0 H ILE A 47 0.718 -10.583 0.969 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.502 -10.061 2.658 1.00 0.00 H new ATOM 0 HB ILE A 47 1.069 -11.559 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.797 -13.003 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.842 -12.017 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.986 -11.943 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.337 -10.244 4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.292 -10.713 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.346 -14.153 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.663 -12.804 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.398 -13.805 2.129 1.00 0.00 H new ATOM 553 N TRP A 48 1.309 -8.421 3.189 1.00 0.00 N ATOM 554 CA TRP A 48 1.927 -7.280 3.850 1.00 0.00 C ATOM 555 C TRP A 48 1.106 -6.027 3.612 1.00 0.00 C ATOM 556 O TRP A 48 0.752 -5.311 4.550 1.00 0.00 O ATOM 557 CB TRP A 48 3.346 -7.122 3.289 1.00 0.00 C ATOM 558 CG TRP A 48 4.148 -5.968 3.819 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.236 -6.045 4.635 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.963 -4.574 3.535 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.737 -4.789 4.871 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.973 -3.873 4.215 1.00 0.00 C ATOM 563 CE3 TRP A 48 3.047 -3.849 2.780 1.00 0.00 C ATOM 564 CZ2 TRP A 48 5.092 -2.489 4.158 1.00 0.00 C ATOM 565 CZ3 TRP A 48 3.164 -2.476 2.722 1.00 0.00 C ATOM 566 CH2 TRP A 48 4.180 -1.809 3.407 1.00 0.00 C ATOM 0 H TRP A 48 1.929 -8.912 2.545 1.00 0.00 H new ATOM 0 HA TRP A 48 1.972 -7.441 4.927 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.897 -8.041 3.488 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.276 -7.021 2.206 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.645 -6.960 5.037 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.552 -4.576 5.446 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.255 -4.354 2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.878 -1.972 4.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.457 -1.907 2.136 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.245 -0.733 3.341 1.00 0.00 H new ATOM 577 N PHE A 49 0.787 -5.783 2.353 1.00 0.00 N ATOM 578 CA PHE A 49 -0.018 -4.627 1.986 1.00 0.00 C ATOM 579 C PHE A 49 -1.442 -4.790 2.459 1.00 0.00 C ATOM 580 O PHE A 49 -2.054 -3.856 2.975 1.00 0.00 O ATOM 581 CB PHE A 49 0.047 -4.371 0.485 1.00 0.00 C ATOM 582 CG PHE A 49 1.211 -3.505 0.150 1.00 0.00 C ATOM 583 CD1 PHE A 49 2.454 -4.063 -0.066 1.00 0.00 C ATOM 584 CD2 PHE A 49 1.076 -2.132 0.114 1.00 0.00 C ATOM 585 CE1 PHE A 49 3.550 -3.267 -0.321 1.00 0.00 C ATOM 586 CE2 PHE A 49 2.172 -1.323 -0.131 1.00 0.00 C ATOM 587 CZ PHE A 49 3.412 -1.897 -0.349 1.00 0.00 C ATOM 0 H PHE A 49 1.072 -6.368 1.567 1.00 0.00 H new ATOM 0 HA PHE A 49 0.397 -3.752 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.127 -5.319 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.875 -3.895 0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.570 -5.136 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.107 -1.685 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.516 -3.717 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.060 -0.249 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.271 -1.271 -0.541 1.00 0.00 H new ATOM 597 N GLN A 50 -1.963 -5.987 2.275 1.00 0.00 N ATOM 598 CA GLN A 50 -3.317 -6.286 2.677 1.00 0.00 C ATOM 599 C GLN A 50 -3.480 -6.126 4.189 1.00 0.00 C ATOM 600 O GLN A 50 -4.555 -5.765 4.669 1.00 0.00 O ATOM 601 CB GLN A 50 -3.691 -7.703 2.241 1.00 0.00 C ATOM 602 CG GLN A 50 -5.033 -8.167 2.773 1.00 0.00 C ATOM 603 CD GLN A 50 -5.839 -8.932 1.742 1.00 0.00 C ATOM 604 OE1 GLN A 50 -6.185 -8.401 0.687 1.00 0.00 O ATOM 605 NE2 GLN A 50 -6.142 -10.190 2.042 1.00 0.00 N ATOM 0 H GLN A 50 -1.465 -6.768 1.848 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.990 -5.581 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.706 -7.747 1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.918 -8.394 2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.874 -8.800 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.606 -7.302 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.835 -10.591 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.682 -10.755 1.386 1.00 0.00 H new ATOM 614 N ASN A 51 -2.408 -6.391 4.937 1.00 0.00 N ATOM 615 CA ASN A 51 -2.449 -6.266 6.391 1.00 0.00 C ATOM 616 C ASN A 51 -2.337 -4.804 6.811 1.00 0.00 C ATOM 617 O ASN A 51 -2.990 -4.368 7.759 1.00 0.00 O ATOM 618 CB ASN A 51 -1.327 -7.084 7.036 1.00 0.00 C ATOM 619 CG ASN A 51 -1.841 -8.033 8.100 1.00 0.00 C ATOM 620 OD1 ASN A 51 -2.034 -7.644 9.253 1.00 0.00 O ATOM 621 ND2 ASN A 51 -2.067 -9.284 7.718 1.00 0.00 N ATOM 0 H ASN A 51 -1.508 -6.691 4.562 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.407 -6.655 6.735 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.808 -7.654 6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.596 -6.407 7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.415 -9.968 8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.893 -9.562 6.752 1.00 0.00 H new ATOM 628 N LYS A 52 -1.505 -4.053 6.097 1.00 0.00 N ATOM 629 CA LYS A 52 -1.306 -2.639 6.394 1.00 0.00 C ATOM 630 C LYS A 52 -2.622 -1.873 6.292 1.00 0.00 C ATOM 631 O LYS A 52 -2.865 -0.932 7.048 1.00 0.00 O ATOM 632 CB LYS A 52 -0.277 -2.036 5.437 1.00 0.00 C ATOM 633 CG LYS A 52 0.631 -1.005 6.090 1.00 0.00 C ATOM 634 CD LYS A 52 2.003 -1.585 6.398 1.00 0.00 C ATOM 635 CE LYS A 52 1.944 -2.585 7.542 1.00 0.00 C ATOM 636 NZ LYS A 52 2.982 -2.310 8.573 1.00 0.00 N ATOM 0 H LYS A 52 -0.958 -4.400 5.309 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.935 -2.556 7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.335 -2.837 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.799 -1.570 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.739 -0.144 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.172 -0.646 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.401 -2.073 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.690 -0.779 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.957 -2.552 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.079 -3.593 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.909 -3.013 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.926 -2.367 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.838 -1.358 8.965 1.00 0.00 H new ATOM 650 N ARG A 53 -3.468 -2.285 5.353 1.00 0.00 N ATOM 651 CA ARG A 53 -4.760 -1.639 5.150 1.00 0.00 C ATOM 652 C ARG A 53 -5.896 -2.647 5.281 1.00 0.00 C ATOM 653 O ARG A 53 -6.163 -3.418 4.359 1.00 0.00 O ATOM 654 CB ARG A 53 -4.809 -0.971 3.775 1.00 0.00 C ATOM 655 CG ARG A 53 -3.550 -0.193 3.430 1.00 0.00 C ATOM 656 CD ARG A 53 -3.347 0.982 4.373 1.00 0.00 C ATOM 657 NE ARG A 53 -2.690 2.107 3.711 1.00 0.00 N ATOM 658 CZ ARG A 53 -2.315 3.220 4.336 1.00 0.00 C ATOM 659 NH1 ARG A 53 -2.529 3.361 5.639 1.00 0.00 N ATOM 660 NH2 ARG A 53 -1.725 4.193 3.658 1.00 0.00 N ATOM 0 H ARG A 53 -3.282 -3.063 4.721 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.884 -0.877 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.973 -1.735 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.664 -0.296 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.686 -0.855 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.614 0.169 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.312 1.304 4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.748 0.663 5.226 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.508 2.035 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.983 2.614 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.240 4.216 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.558 4.089 2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.437 5.046 4.137 1.00 0.00 H new ATOM 674 N ALA A 54 -6.562 -2.634 6.429 1.00 0.00 N ATOM 675 CA ALA A 54 -7.671 -3.547 6.680 1.00 0.00 C ATOM 676 C ALA A 54 -8.818 -2.837 7.393 1.00 0.00 C ATOM 677 O ALA A 54 -9.585 -3.459 8.127 1.00 0.00 O ATOM 678 CB ALA A 54 -7.196 -4.737 7.497 1.00 0.00 C ATOM 0 H ALA A 54 -6.354 -2.001 7.201 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.042 -3.903 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.033 -5.411 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.416 -5.266 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.798 -4.388 8.450 1.00 0.00 H new ATOM 684 N LYS A 55 -8.926 -1.532 7.170 1.00 0.00 N ATOM 685 CA LYS A 55 -9.978 -0.735 7.790 1.00 0.00 C ATOM 686 C LYS A 55 -9.993 0.676 7.213 1.00 0.00 C ATOM 687 O LYS A 55 -11.039 1.178 6.800 1.00 0.00 O ATOM 688 CB LYS A 55 -9.780 -0.677 9.306 1.00 0.00 C ATOM 689 CG LYS A 55 -10.897 0.047 10.038 1.00 0.00 C ATOM 690 CD LYS A 55 -12.088 -0.867 10.287 1.00 0.00 C ATOM 691 CE LYS A 55 -13.364 -0.298 9.688 1.00 0.00 C ATOM 692 NZ LYS A 55 -13.712 1.024 10.278 1.00 0.00 N ATOM 0 H LYS A 55 -8.298 -1.004 6.564 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.936 -1.210 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.702 -1.693 9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.834 -0.180 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.523 0.426 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.216 0.910 9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.890 -1.849 9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.221 -1.009 11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.244 -0.194 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.185 -0.996 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.727 1.207 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.491 1.020 11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.161 1.770 9.807 1.00 0.00 H new ATOM 706 N ILE A 56 -8.825 1.309 7.185 1.00 0.00 N ATOM 707 CA ILE A 56 -8.698 2.660 6.655 1.00 0.00 C ATOM 708 C ILE A 56 -9.617 3.630 7.391 1.00 0.00 C ATOM 709 O ILE A 56 -10.739 3.890 6.956 1.00 0.00 O ATOM 710 CB ILE A 56 -9.024 2.706 5.149 1.00 0.00 C ATOM 711 CG1 ILE A 56 -8.268 1.603 4.403 1.00 0.00 C ATOM 712 CG2 ILE A 56 -8.680 4.071 4.575 1.00 0.00 C ATOM 713 CD1 ILE A 56 -9.101 0.905 3.350 1.00 0.00 C ATOM 0 H ILE A 56 -7.951 0.906 7.524 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.661 2.961 6.805 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.093 2.536 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.386 2.034 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.915 0.865 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.916 4.088 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.260 4.838 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.617 4.267 4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.501 0.136 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.970 0.444 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.433 1.631 2.608 1.00 0.00 H new ATOM 725 N LYS A 57 -9.134 4.161 8.509 1.00 0.00 N ATOM 726 CA LYS A 57 -9.912 5.103 9.305 1.00 0.00 C ATOM 727 C LYS A 57 -9.441 6.534 9.069 1.00 0.00 C ATOM 728 O LYS A 57 -8.805 7.142 9.931 1.00 0.00 O ATOM 729 CB LYS A 57 -9.805 4.753 10.792 1.00 0.00 C ATOM 730 CG LYS A 57 -11.088 4.999 11.568 1.00 0.00 C ATOM 731 CD LYS A 57 -11.502 6.462 11.515 1.00 0.00 C ATOM 732 CE LYS A 57 -12.644 6.683 10.537 1.00 0.00 C ATOM 733 NZ LYS A 57 -13.187 8.067 10.622 1.00 0.00 N ATOM 0 H LYS A 57 -8.208 3.955 8.884 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.955 5.030 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.526 3.704 10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.002 5.340 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.886 4.379 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.950 4.697 12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.804 6.792 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.648 7.073 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.295 6.491 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.440 5.967 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.218 8.044 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.965 8.470 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.757 8.655 9.879 1.00 0.00 H new ATOM 747 N LYS A 58 -9.755 7.068 7.894 1.00 0.00 N ATOM 748 CA LYS A 58 -9.364 8.428 7.543 1.00 0.00 C ATOM 749 C LYS A 58 -10.488 9.413 7.848 1.00 0.00 C ATOM 750 O LYS A 58 -11.559 9.025 8.312 1.00 0.00 O ATOM 751 CB LYS A 58 -8.987 8.507 6.062 1.00 0.00 C ATOM 752 CG LYS A 58 -7.577 8.023 5.767 1.00 0.00 C ATOM 753 CD LYS A 58 -6.533 8.927 6.403 1.00 0.00 C ATOM 754 CE LYS A 58 -5.253 8.961 5.585 1.00 0.00 C ATOM 755 NZ LYS A 58 -5.217 10.126 4.659 1.00 0.00 N ATOM 0 H LYS A 58 -10.279 6.580 7.168 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.497 8.697 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.695 7.913 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.086 9.539 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.455 7.006 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.421 7.988 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.933 9.937 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.312 8.577 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.395 9.004 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.164 8.038 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.328 10.113 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.022 10.072 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.276 11.008 5.208 1.00 0.00 H new ATOM 769 N SER A 59 -10.234 10.691 7.582 1.00 0.00 N ATOM 770 CA SER A 59 -11.223 11.733 7.828 1.00 0.00 C ATOM 771 C SER A 59 -11.754 12.301 6.515 1.00 0.00 C ATOM 772 O SER A 59 -12.989 12.435 6.387 1.00 0.00 O ATOM 773 CB SER A 59 -10.614 12.855 8.672 1.00 0.00 C ATOM 774 OG SER A 59 -9.399 13.315 8.108 1.00 0.00 O ATOM 775 OXT SER A 59 -10.929 12.606 5.628 1.00 0.00 O ATOM 0 H SER A 59 -9.352 11.029 7.196 1.00 0.00 H new ATOM 0 HA SER A 59 -12.055 11.287 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.320 13.682 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.435 12.496 9.685 1.00 0.00 H new ATOM 0 HG SER A 59 -9.430 13.209 7.134 1.00 0.00 H new TER 781 SER A 59