USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 631 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 11 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.39) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.81! C(o=-4.8!,f=-6.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.759 USER MOD Single : A 27 ASN : amide:sc=-0.00767 X(o=-0.0077,f=0.25) USER MOD Single : A 34 TYR OH : rot -22:sc= 0.3 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.955 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.512 K(o=-0.51,f=0.21) USER MOD Single : A 59 ASN : amide:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 159:sc= 1.71 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 147:sc= -1.54 (180deg=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.577 7.885 -5.287 1.00 0.00 N ATOM 67 CA LEU A 8 0.747 7.266 -4.269 1.00 0.00 C ATOM 68 C LEU A 8 0.607 5.772 -4.571 1.00 0.00 C ATOM 69 O LEU A 8 0.778 4.937 -3.683 1.00 0.00 O ATOM 70 CB LEU A 8 -0.593 7.996 -4.153 1.00 0.00 C ATOM 71 CG LEU A 8 -0.524 9.451 -3.684 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.781 10.219 -4.098 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.273 9.532 -2.178 1.00 0.00 C ATOM 0 HA LEU A 8 1.218 7.353 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.083 7.971 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.228 7.442 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 8 0.323 9.929 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.707 11.250 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.875 10.205 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.658 9.749 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.229 10.577 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.083 9.033 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.672 9.044 -1.940 1.00 0.00 H new ATOM 85 N ARG A 9 0.300 5.480 -5.827 1.00 0.00 N ATOM 86 CA ARG A 9 0.137 4.102 -6.256 1.00 0.00 C ATOM 87 C ARG A 9 1.298 3.246 -5.746 1.00 0.00 C ATOM 88 O ARG A 9 1.081 2.208 -5.122 1.00 0.00 O ATOM 89 CB ARG A 9 0.072 4.005 -7.782 1.00 0.00 C ATOM 90 CG ARG A 9 -0.419 2.624 -8.223 1.00 0.00 C ATOM 91 CD ARG A 9 0.122 2.268 -9.610 1.00 0.00 C ATOM 92 NE ARG A 9 -0.685 2.937 -10.654 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.384 2.921 -11.960 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.705 2.270 -12.389 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.173 3.556 -12.837 1.00 0.00 N ATOM 0 H ARG A 9 0.160 6.175 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.800 3.733 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.596 4.774 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.058 4.196 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.100 1.873 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.509 2.609 -8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.165 2.574 -9.692 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.095 1.188 -9.754 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.522 3.441 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.306 1.786 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.934 2.258 -13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.003 4.052 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.944 3.544 -13.831 1.00 0.00 H new ATOM 109 N GLU A 10 2.505 3.712 -6.030 1.00 0.00 N ATOM 110 CA GLU A 10 3.700 3.002 -5.608 1.00 0.00 C ATOM 111 C GLU A 10 3.721 2.858 -4.085 1.00 0.00 C ATOM 112 O GLU A 10 4.024 1.785 -3.563 1.00 0.00 O ATOM 113 CB GLU A 10 4.962 3.707 -6.109 1.00 0.00 C ATOM 114 CG GLU A 10 5.567 2.964 -7.302 1.00 0.00 C ATOM 115 CD GLU A 10 6.595 1.929 -6.841 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.598 2.360 -6.231 1.00 0.00 O ATOM 117 OE2 GLU A 10 6.355 0.732 -7.107 1.00 0.00 O ATOM 0 H GLU A 10 2.681 4.573 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 10 3.681 2.005 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.721 4.730 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.694 3.766 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.776 2.470 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.041 3.677 -7.976 1.00 0.00 H new ATOM 124 N GLN A 11 3.397 3.953 -3.413 1.00 0.00 N ATOM 125 CA GLN A 11 3.375 3.963 -1.961 1.00 0.00 C ATOM 126 C GLN A 11 2.370 2.933 -1.439 1.00 0.00 C ATOM 127 O GLN A 11 2.559 2.366 -0.363 1.00 0.00 O ATOM 128 CB GLN A 11 3.055 5.360 -1.426 1.00 0.00 C ATOM 129 CG GLN A 11 3.975 6.410 -2.054 1.00 0.00 C ATOM 130 CD GLN A 11 4.068 7.655 -1.169 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.263 7.581 0.033 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.918 8.800 -1.829 1.00 0.00 N ATOM 0 H GLN A 11 3.147 4.841 -3.849 1.00 0.00 H new ATOM 0 HA GLN A 11 4.367 3.691 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.015 5.607 -1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.168 5.373 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.969 5.988 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.599 6.686 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.757 8.791 -2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.964 9.687 -1.328 1.00 0.00 H new ATOM 141 N VAL A 12 1.325 2.722 -2.225 1.00 0.00 N ATOM 142 CA VAL A 12 0.290 1.771 -1.855 1.00 0.00 C ATOM 143 C VAL A 12 0.794 0.350 -2.114 1.00 0.00 C ATOM 144 O VAL A 12 0.506 -0.565 -1.344 1.00 0.00 O ATOM 145 CB VAL A 12 -1.006 2.091 -2.602 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.086 1.052 -2.295 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.494 3.503 -2.273 1.00 0.00 C ATOM 0 H VAL A 12 1.172 3.193 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 12 0.063 1.847 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.796 2.050 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.997 1.303 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.740 0.065 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.292 1.047 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.417 3.705 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.679 3.584 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.734 4.228 -2.565 1.00 0.00 H new ATOM 157 N LYS A 13 1.539 0.209 -3.201 1.00 0.00 N ATOM 158 CA LYS A 13 2.086 -1.085 -3.572 1.00 0.00 C ATOM 159 C LYS A 13 2.882 -1.652 -2.395 1.00 0.00 C ATOM 160 O LYS A 13 2.580 -2.737 -1.901 1.00 0.00 O ATOM 161 CB LYS A 13 2.894 -0.974 -4.865 1.00 0.00 C ATOM 162 CG LYS A 13 2.023 -0.462 -6.015 1.00 0.00 C ATOM 163 CD LYS A 13 2.242 -1.292 -7.281 1.00 0.00 C ATOM 164 CE LYS A 13 1.240 -2.445 -7.360 1.00 0.00 C ATOM 165 NZ LYS A 13 1.702 -3.469 -8.323 1.00 0.00 N ATOM 0 H LYS A 13 1.777 0.970 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 13 1.284 -1.792 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.737 -0.299 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.308 -1.948 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.973 -0.503 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.258 0.583 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.140 -0.655 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.258 -1.687 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.115 -2.894 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.264 -2.066 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.010 -4.244 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.798 -3.041 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.623 -3.843 -8.017 1.00 0.00 H new ATOM 179 N GLU A 14 3.886 -0.893 -1.980 1.00 0.00 N ATOM 180 CA GLU A 14 4.728 -1.307 -0.871 1.00 0.00 C ATOM 181 C GLU A 14 3.883 -1.525 0.386 1.00 0.00 C ATOM 182 O GLU A 14 4.194 -2.388 1.206 1.00 0.00 O ATOM 183 CB GLU A 14 5.838 -0.286 -0.614 1.00 0.00 C ATOM 184 CG GLU A 14 7.138 -0.704 -1.303 1.00 0.00 C ATOM 185 CD GLU A 14 8.321 -0.628 -0.334 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.204 -1.234 0.753 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.314 0.035 -0.703 1.00 0.00 O ATOM 0 H GLU A 14 4.135 0.006 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 14 5.202 -2.252 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.528 0.693 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.006 -0.188 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.041 -1.720 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.324 -0.057 -2.161 1.00 0.00 H new ATOM 194 N LEU A 15 2.830 -0.728 0.497 1.00 0.00 N ATOM 195 CA LEU A 15 1.938 -0.823 1.639 1.00 0.00 C ATOM 196 C LEU A 15 1.348 -2.233 1.706 1.00 0.00 C ATOM 197 O LEU A 15 1.677 -3.007 2.604 1.00 0.00 O ATOM 198 CB LEU A 15 0.882 0.283 1.589 1.00 0.00 C ATOM 199 CG LEU A 15 -0.447 -0.025 2.282 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.295 0.019 3.803 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.553 0.910 1.788 1.00 0.00 C ATOM 0 H LEU A 15 2.575 -0.014 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 15 2.490 -0.664 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.304 1.181 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.678 0.516 0.544 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.743 -1.040 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.254 -0.203 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.442 -0.720 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.035 1.012 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.487 0.670 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.279 1.943 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.682 0.784 0.713 1.00 0.00 H new ATOM 213 N PHE A 16 0.487 -2.526 0.741 1.00 0.00 N ATOM 214 CA PHE A 16 -0.152 -3.829 0.679 1.00 0.00 C ATOM 215 C PHE A 16 0.884 -4.952 0.772 1.00 0.00 C ATOM 216 O PHE A 16 0.632 -5.982 1.395 1.00 0.00 O ATOM 217 CB PHE A 16 -0.858 -3.915 -0.675 1.00 0.00 C ATOM 218 CG PHE A 16 -2.216 -3.210 -0.715 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.133 -3.444 0.262 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.506 -2.349 -1.727 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.392 -2.790 0.226 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.765 -1.695 -1.764 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.682 -1.929 -0.787 1.00 0.00 C ATOM 0 H PHE A 16 0.218 -1.883 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.848 -3.943 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.212 -3.481 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.997 -4.964 -0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.903 -4.128 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.778 -2.163 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.120 -2.976 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.995 -1.011 -2.568 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.640 -1.431 -0.815 1.00 0.00 H new ATOM 233 N ASN A 17 2.026 -4.714 0.144 1.00 0.00 N ATOM 234 CA ASN A 17 3.100 -5.692 0.149 1.00 0.00 C ATOM 235 C ASN A 17 3.683 -5.797 1.560 1.00 0.00 C ATOM 236 O ASN A 17 3.985 -6.892 2.032 1.00 0.00 O ATOM 237 CB ASN A 17 4.228 -5.277 -0.798 1.00 0.00 C ATOM 238 CG ASN A 17 3.734 -5.219 -2.245 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.557 -5.052 -2.520 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.697 -5.366 -3.152 1.00 0.00 N ATOM 0 H ASN A 17 2.231 -3.858 -0.372 1.00 0.00 H new ATOM 0 HA ASN A 17 2.687 -6.646 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.616 -4.302 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.053 -5.985 -0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.469 -5.342 -4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.663 -5.502 -2.853 1.00 0.00 H new ATOM 247 N GLU A 18 3.823 -4.642 2.195 1.00 0.00 N ATOM 248 CA GLU A 18 4.365 -4.590 3.543 1.00 0.00 C ATOM 249 C GLU A 18 3.480 -5.390 4.501 1.00 0.00 C ATOM 250 O GLU A 18 3.981 -6.187 5.293 1.00 0.00 O ATOM 251 CB GLU A 18 4.517 -3.142 4.016 1.00 0.00 C ATOM 252 CG GLU A 18 5.693 -2.457 3.317 1.00 0.00 C ATOM 253 CD GLU A 18 6.903 -2.360 4.248 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.031 -3.258 5.109 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.674 -1.391 4.078 1.00 0.00 O ATOM 0 H GLU A 18 3.571 -3.735 1.801 1.00 0.00 H new ATOM 0 HA GLU A 18 5.357 -5.041 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.598 -2.591 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.669 -3.122 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.963 -3.015 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.397 -1.459 2.994 1.00 0.00 H new ATOM 262 N LYS A 19 2.182 -5.149 4.397 1.00 0.00 N ATOM 263 CA LYS A 19 1.224 -5.838 5.245 1.00 0.00 C ATOM 264 C LYS A 19 1.369 -7.349 5.050 1.00 0.00 C ATOM 265 O LYS A 19 1.581 -8.085 6.012 1.00 0.00 O ATOM 266 CB LYS A 19 -0.192 -5.319 4.986 1.00 0.00 C ATOM 267 CG LYS A 19 -0.315 -3.844 5.374 1.00 0.00 C ATOM 268 CD LYS A 19 -0.299 -3.674 6.894 1.00 0.00 C ATOM 269 CE LYS A 19 0.434 -2.392 7.296 1.00 0.00 C ATOM 270 NZ LYS A 19 1.172 -2.592 8.563 1.00 0.00 N ATOM 0 H LYS A 19 1.771 -4.487 3.739 1.00 0.00 H new ATOM 0 HA LYS A 19 1.428 -5.630 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.442 -5.444 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.909 -5.910 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.506 -3.278 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.240 -3.433 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.321 -3.646 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.187 -4.534 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.127 -2.100 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.281 -1.578 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.663 -1.713 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.504 -2.849 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.868 -3.355 8.442 1.00 0.00 H new ATOM 284 N TYR A 20 1.251 -7.766 3.799 1.00 0.00 N ATOM 285 CA TYR A 20 1.368 -9.175 3.465 1.00 0.00 C ATOM 286 C TYR A 20 2.572 -9.807 4.166 1.00 0.00 C ATOM 287 O TYR A 20 2.445 -10.847 4.809 1.00 0.00 O ATOM 288 CB TYR A 20 1.585 -9.234 1.951 1.00 0.00 C ATOM 289 CG TYR A 20 1.089 -10.527 1.301 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.158 -11.024 1.620 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.888 -11.194 0.395 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.626 -12.241 1.008 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.421 -12.411 -0.217 1.00 0.00 C ATOM 294 CZ TYR A 20 0.187 -12.875 0.119 1.00 0.00 C ATOM 295 OH TYR A 20 -0.255 -14.024 -0.459 1.00 0.00 O ATOM 0 H TYR A 20 1.075 -7.152 3.003 1.00 0.00 H new ATOM 0 HA TYR A 20 0.478 -9.719 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.076 -8.388 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.649 -9.119 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.783 -10.501 2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.863 -10.803 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.600 -12.641 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.037 -12.943 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.232 -13.999 -0.532 1.00 0.00 H new ATOM 305 N GLY A 21 3.714 -9.150 4.017 1.00 0.00 N ATOM 306 CA GLY A 21 4.940 -9.636 4.628 1.00 0.00 C ATOM 307 C GLY A 21 4.746 -9.883 6.126 1.00 0.00 C ATOM 308 O GLY A 21 4.941 -10.998 6.605 1.00 0.00 O ATOM 0 H GLY A 21 3.816 -8.287 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.252 -10.560 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.739 -8.910 4.476 1.00 0.00 H new ATOM 312 N GLU A 22 4.364 -8.823 6.823 1.00 0.00 N ATOM 313 CA GLU A 22 4.141 -8.911 8.257 1.00 0.00 C ATOM 314 C GLU A 22 3.123 -10.010 8.569 1.00 0.00 C ATOM 315 O GLU A 22 3.300 -10.772 9.519 1.00 0.00 O ATOM 316 CB GLU A 22 3.686 -7.565 8.824 1.00 0.00 C ATOM 317 CG GLU A 22 4.607 -6.434 8.361 1.00 0.00 C ATOM 318 CD GLU A 22 4.835 -5.417 9.481 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.488 -5.804 10.474 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.350 -4.277 9.318 1.00 0.00 O ATOM 0 H GLU A 22 4.203 -7.899 6.422 1.00 0.00 H new ATOM 0 HA GLU A 22 5.085 -9.170 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.664 -7.359 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.678 -7.609 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.563 -6.847 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.170 -5.935 7.496 1.00 0.00 H new ATOM 327 N ALA A 23 2.081 -10.055 7.753 1.00 0.00 N ATOM 328 CA ALA A 23 1.034 -11.049 7.931 1.00 0.00 C ATOM 329 C ALA A 23 1.637 -12.448 7.798 1.00 0.00 C ATOM 330 O ALA A 23 1.253 -13.364 8.523 1.00 0.00 O ATOM 331 CB ALA A 23 -0.084 -10.798 6.918 1.00 0.00 C ATOM 0 H ALA A 23 1.938 -9.420 6.967 1.00 0.00 H new ATOM 0 HA ALA A 23 0.597 -10.972 8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.869 -11.542 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.499 -9.802 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.318 -10.871 5.907 1.00 0.00 H new ATOM 337 N LEU A 24 2.574 -12.568 6.869 1.00 0.00 N ATOM 338 CA LEU A 24 3.235 -13.841 6.633 1.00 0.00 C ATOM 339 C LEU A 24 4.171 -14.150 7.803 1.00 0.00 C ATOM 340 O LEU A 24 4.719 -15.247 7.891 1.00 0.00 O ATOM 341 CB LEU A 24 3.932 -13.838 5.271 1.00 0.00 C ATOM 342 CG LEU A 24 3.015 -13.861 4.047 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.596 -13.019 2.910 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.724 -15.297 3.606 1.00 0.00 C ATOM 0 H LEU A 24 2.891 -11.805 6.271 1.00 0.00 H new ATOM 0 HA LEU A 24 2.503 -14.648 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.563 -12.951 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.593 -14.704 5.221 1.00 0.00 H new ATOM 0 HG LEU A 24 2.062 -13.411 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.924 -13.053 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.709 -11.987 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.570 -13.416 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.070 -15.284 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.659 -15.796 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.235 -15.835 4.418 1.00 0.00 H new ATOM 356 N GLY A 25 4.325 -13.162 8.672 1.00 0.00 N ATOM 357 CA GLY A 25 5.184 -13.315 9.834 1.00 0.00 C ATOM 358 C GLY A 25 6.656 -13.144 9.451 1.00 0.00 C ATOM 359 O GLY A 25 7.545 -13.597 10.171 1.00 0.00 O ATOM 0 H GLY A 25 3.870 -12.253 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.913 -12.579 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.031 -14.299 10.277 1.00 0.00 H new ATOM 363 N LEU A 26 6.868 -12.490 8.320 1.00 0.00 N ATOM 364 CA LEU A 26 8.218 -12.253 7.833 1.00 0.00 C ATOM 365 C LEU A 26 8.687 -10.872 8.296 1.00 0.00 C ATOM 366 O LEU A 26 7.992 -10.198 9.055 1.00 0.00 O ATOM 367 CB LEU A 26 8.282 -12.448 6.317 1.00 0.00 C ATOM 368 CG LEU A 26 7.483 -13.627 5.758 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.647 -13.731 4.241 1.00 0.00 C ATOM 370 CD2 LEU A 26 7.861 -14.930 6.465 1.00 0.00 C ATOM 0 H LEU A 26 6.128 -12.116 7.725 1.00 0.00 H new ATOM 0 HA LEU A 26 8.909 -12.983 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.928 -11.535 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.326 -12.574 6.031 1.00 0.00 H new ATOM 0 HG LEU A 26 6.426 -13.447 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.069 -14.577 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.290 -12.814 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.700 -13.876 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.279 -15.752 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.923 -15.128 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.651 -14.840 7.531 1.00 0.00 H new ATOM 382 N ASN A 27 9.863 -10.492 7.819 1.00 0.00 N ATOM 383 CA ASN A 27 10.434 -9.203 8.173 1.00 0.00 C ATOM 384 C ASN A 27 10.706 -8.402 6.899 1.00 0.00 C ATOM 385 O ASN A 27 11.525 -7.484 6.902 1.00 0.00 O ATOM 386 CB ASN A 27 11.760 -9.374 8.917 1.00 0.00 C ATOM 387 CG ASN A 27 11.886 -8.358 10.054 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.815 -7.157 9.859 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.075 -8.906 11.251 1.00 0.00 N ATOM 0 H ASN A 27 10.437 -11.054 7.190 1.00 0.00 H new ATOM 0 HA ASN A 27 9.723 -8.685 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.828 -10.385 9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.590 -9.251 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.170 -8.312 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.125 -9.920 11.345 1.00 0.00 H new ATOM 396 N ARG A 28 10.005 -8.779 5.840 1.00 0.00 N ATOM 397 CA ARG A 28 10.162 -8.108 4.561 1.00 0.00 C ATOM 398 C ARG A 28 8.821 -8.049 3.825 1.00 0.00 C ATOM 399 O ARG A 28 7.949 -8.888 4.048 1.00 0.00 O ATOM 400 CB ARG A 28 11.186 -8.828 3.683 1.00 0.00 C ATOM 401 CG ARG A 28 10.847 -10.314 3.549 1.00 0.00 C ATOM 402 CD ARG A 28 11.799 -11.008 2.573 1.00 0.00 C ATOM 403 NE ARG A 28 12.115 -12.370 3.056 1.00 0.00 N ATOM 404 CZ ARG A 28 12.842 -13.262 2.369 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.332 -12.940 1.164 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.079 -14.476 2.886 1.00 0.00 N ATOM 0 H ARG A 28 9.327 -9.541 5.842 1.00 0.00 H new ATOM 0 HA ARG A 28 10.517 -7.097 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.212 -8.367 2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.181 -8.716 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.908 -10.794 4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.820 -10.426 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.344 -11.061 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.716 -10.427 2.472 1.00 0.00 H new ATOM 0 HE ARG A 28 11.757 -12.648 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.152 -12.017 0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.885 -13.618 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.706 -14.722 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.632 -15.154 2.362 1.00 0.00 H new ATOM 420 N PRO A 29 8.696 -7.025 2.939 1.00 0.00 N ATOM 421 CA PRO A 29 7.477 -6.846 2.170 1.00 0.00 C ATOM 422 C PRO A 29 7.384 -7.876 1.043 1.00 0.00 C ATOM 423 O PRO A 29 8.372 -8.149 0.364 1.00 0.00 O ATOM 424 CB PRO A 29 7.539 -5.414 1.661 1.00 0.00 C ATOM 425 CG PRO A 29 8.996 -4.995 1.773 1.00 0.00 C ATOM 426 CD PRO A 29 9.708 -6.013 2.649 1.00 0.00 C ATOM 0 HA PRO A 29 6.578 -7.005 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.193 -5.351 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.898 -4.761 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.457 -4.951 0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.074 -3.998 2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.566 -6.447 2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.083 -5.555 3.564 1.00 0.00 H new ATOM 434 N VAL A 30 6.187 -8.421 0.879 1.00 0.00 N ATOM 435 CA VAL A 30 5.952 -9.415 -0.154 1.00 0.00 C ATOM 436 C VAL A 30 4.744 -8.995 -0.995 1.00 0.00 C ATOM 437 O VAL A 30 3.757 -8.491 -0.462 1.00 0.00 O ATOM 438 CB VAL A 30 5.787 -10.798 0.479 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.324 -11.823 -0.557 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.083 -11.249 1.156 1.00 0.00 C ATOM 0 H VAL A 30 5.370 -8.193 1.445 1.00 0.00 H new ATOM 0 HA VAL A 30 6.809 -9.479 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 30 5.016 -10.726 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.215 -12.797 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.365 -11.513 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.062 -11.891 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.939 -12.235 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.882 -11.296 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.352 -10.537 1.937 1.00 0.00 H new ATOM 450 N LEU A 31 4.863 -9.219 -2.295 1.00 0.00 N ATOM 451 CA LEU A 31 3.794 -8.869 -3.216 1.00 0.00 C ATOM 452 C LEU A 31 2.520 -9.617 -2.816 1.00 0.00 C ATOM 453 O LEU A 31 2.587 -10.718 -2.272 1.00 0.00 O ATOM 454 CB LEU A 31 4.227 -9.121 -4.660 1.00 0.00 C ATOM 455 CG LEU A 31 4.977 -7.976 -5.344 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.853 -8.498 -6.485 1.00 0.00 C ATOM 457 CD2 LEU A 31 4.008 -6.891 -5.818 1.00 0.00 C ATOM 0 H LEU A 31 5.683 -9.639 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 31 3.572 -7.803 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.861 -10.007 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.340 -9.351 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 31 5.641 -7.518 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.375 -7.664 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.582 -9.206 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.227 -8.997 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.567 -6.089 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.302 -7.319 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.464 -6.490 -4.963 1.00 0.00 H new ATOM 469 N VAL A 32 1.389 -8.990 -3.103 1.00 0.00 N ATOM 470 CA VAL A 32 0.102 -9.581 -2.781 1.00 0.00 C ATOM 471 C VAL A 32 -0.492 -10.216 -4.040 1.00 0.00 C ATOM 472 O VAL A 32 -0.778 -9.521 -5.014 1.00 0.00 O ATOM 473 CB VAL A 32 -0.815 -8.530 -2.152 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.250 -9.050 -2.043 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.286 -8.089 -0.786 1.00 0.00 C ATOM 0 H VAL A 32 1.337 -8.077 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 32 0.220 -10.373 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.824 -7.658 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.881 -8.284 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.626 -9.292 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.266 -9.945 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.956 -7.342 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.234 -8.951 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.709 -7.660 -0.902 1.00 0.00 H new ATOM 485 N PRO A 33 -0.665 -11.563 -3.978 1.00 0.00 N ATOM 486 CA PRO A 33 -1.220 -12.300 -5.102 1.00 0.00 C ATOM 487 C PRO A 33 -2.729 -12.077 -5.212 1.00 0.00 C ATOM 488 O PRO A 33 -3.509 -13.020 -5.094 1.00 0.00 O ATOM 489 CB PRO A 33 -0.850 -13.751 -4.841 1.00 0.00 C ATOM 490 CG PRO A 33 -0.512 -13.836 -3.362 1.00 0.00 C ATOM 491 CD PRO A 33 -0.338 -12.419 -2.841 1.00 0.00 C ATOM 0 HA PRO A 33 -0.823 -11.968 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.677 -14.416 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.001 -14.054 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.306 -14.348 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.401 -14.413 -3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.998 -12.224 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.681 -12.246 -2.496 1.00 0.00 H new ATOM 499 N TYR A 34 -3.095 -10.823 -5.437 1.00 0.00 N ATOM 500 CA TYR A 34 -4.497 -10.465 -5.564 1.00 0.00 C ATOM 501 C TYR A 34 -5.236 -11.453 -6.468 1.00 0.00 C ATOM 502 O TYR A 34 -6.391 -11.791 -6.211 1.00 0.00 O ATOM 503 CB TYR A 34 -4.520 -9.081 -6.215 1.00 0.00 C ATOM 504 CG TYR A 34 -3.763 -8.009 -5.428 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.357 -7.403 -4.340 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.485 -7.649 -5.807 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.644 -6.395 -3.599 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.773 -6.641 -5.065 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.387 -6.064 -3.998 1.00 0.00 C ATOM 510 OH TYR A 34 -1.713 -5.112 -3.298 1.00 0.00 O ATOM 0 H TYR A 34 -2.445 -10.043 -5.534 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.986 -10.478 -4.590 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.091 -9.154 -7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.556 -8.765 -6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.357 -7.685 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.020 -8.123 -6.659 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.097 -5.913 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.773 -6.350 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.352 -4.550 -2.812 1.00 0.00 H new ATOM 520 N LYS A 35 -4.540 -11.889 -7.509 1.00 0.00 N ATOM 521 CA LYS A 35 -5.116 -12.831 -8.452 1.00 0.00 C ATOM 522 C LYS A 35 -5.646 -14.049 -7.692 1.00 0.00 C ATOM 523 O LYS A 35 -6.751 -14.518 -7.958 1.00 0.00 O ATOM 524 CB LYS A 35 -4.103 -13.183 -9.544 1.00 0.00 C ATOM 525 CG LYS A 35 -4.807 -13.718 -10.793 1.00 0.00 C ATOM 526 CD LYS A 35 -3.879 -14.632 -11.596 1.00 0.00 C ATOM 527 CE LYS A 35 -4.314 -14.704 -13.060 1.00 0.00 C ATOM 528 NZ LYS A 35 -3.770 -15.921 -13.703 1.00 0.00 N ATOM 0 H LYS A 35 -3.583 -11.607 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.965 -12.382 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.519 -12.300 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.403 -13.930 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.703 -14.267 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.132 -12.885 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.856 -14.262 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.883 -15.632 -11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.402 -14.708 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.967 -13.818 -13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.075 -15.954 -14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.731 -15.901 -13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.121 -16.764 -13.205 1.00 0.00 H new ATOM 542 N LEU A 36 -4.833 -14.524 -6.760 1.00 0.00 N ATOM 543 CA LEU A 36 -5.206 -15.678 -5.958 1.00 0.00 C ATOM 544 C LEU A 36 -6.293 -15.270 -4.961 1.00 0.00 C ATOM 545 O LEU A 36 -7.425 -15.742 -5.045 1.00 0.00 O ATOM 546 CB LEU A 36 -3.970 -16.297 -5.302 1.00 0.00 C ATOM 547 CG LEU A 36 -2.999 -17.012 -6.242 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.703 -17.379 -5.517 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.659 -18.232 -6.888 1.00 0.00 C ATOM 0 H LEU A 36 -3.917 -14.131 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.628 -16.460 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.426 -15.509 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.302 -17.008 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.735 -16.325 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.030 -17.886 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.225 -16.473 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.929 -18.040 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.947 -18.722 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.972 -18.930 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.530 -17.914 -7.461 1.00 0.00 H new ATOM 561 N ILE A 37 -5.910 -14.398 -4.040 1.00 0.00 N ATOM 562 CA ILE A 37 -6.837 -13.922 -3.028 1.00 0.00 C ATOM 563 C ILE A 37 -8.203 -13.670 -3.673 1.00 0.00 C ATOM 564 O ILE A 37 -9.239 -13.892 -3.048 1.00 0.00 O ATOM 565 CB ILE A 37 -6.264 -12.702 -2.307 1.00 0.00 C ATOM 566 CG1 ILE A 37 -4.974 -13.059 -1.566 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.304 -12.075 -1.376 1.00 0.00 C ATOM 568 CD1 ILE A 37 -3.910 -11.976 -1.761 1.00 0.00 C ATOM 0 H ILE A 37 -4.970 -14.009 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.981 -14.679 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.009 -11.952 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.183 -13.181 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.595 -14.015 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.870 -11.209 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.171 -11.761 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.613 -12.807 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.004 -12.255 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.685 -11.874 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.282 -11.027 -1.376 1.00 0.00 H new ATOM 580 N ARG A 38 -8.159 -13.210 -4.915 1.00 0.00 N ATOM 581 CA ARG A 38 -9.380 -12.924 -5.649 1.00 0.00 C ATOM 582 C ARG A 38 -10.200 -14.204 -5.832 1.00 0.00 C ATOM 583 O ARG A 38 -11.375 -14.248 -5.470 1.00 0.00 O ATOM 584 CB ARG A 38 -9.069 -12.327 -7.023 1.00 0.00 C ATOM 585 CG ARG A 38 -10.356 -11.988 -7.778 1.00 0.00 C ATOM 586 CD ARG A 38 -10.761 -10.531 -7.547 1.00 0.00 C ATOM 587 NE ARG A 38 -11.407 -9.987 -8.761 1.00 0.00 N ATOM 588 CZ ARG A 38 -10.753 -9.692 -9.894 1.00 0.00 C ATOM 589 NH1 ARG A 38 -9.430 -9.888 -9.972 1.00 0.00 N ATOM 590 NH2 ARG A 38 -11.423 -9.202 -10.945 1.00 0.00 N ATOM 0 H ARG A 38 -7.298 -13.028 -5.431 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.953 -12.199 -5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.465 -11.427 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.477 -13.034 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.213 -12.165 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.159 -12.648 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.445 -10.465 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.883 -9.936 -7.295 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.414 -9.826 -8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.922 -10.261 -9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.931 -9.664 -10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.430 -9.053 -10.883 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.926 -8.977 -11.807 1.00 0.00 H new ATOM 604 N ASP A 39 -9.549 -15.211 -6.392 1.00 0.00 N ATOM 605 CA ASP A 39 -10.202 -16.488 -6.627 1.00 0.00 C ATOM 606 C ASP A 39 -10.393 -17.212 -5.293 1.00 0.00 C ATOM 607 O ASP A 39 -11.289 -18.042 -5.155 1.00 0.00 O ATOM 608 CB ASP A 39 -9.356 -17.382 -7.535 1.00 0.00 C ATOM 609 CG ASP A 39 -10.128 -18.491 -8.253 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.193 -18.166 -8.819 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.635 -19.639 -8.218 1.00 0.00 O ATOM 0 H ASP A 39 -8.575 -15.169 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.161 -16.292 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.869 -16.757 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.567 -17.838 -6.937 1.00 0.00 H new ATOM 616 N SER A 40 -9.533 -16.870 -4.344 1.00 0.00 N ATOM 617 CA SER A 40 -9.596 -17.478 -3.026 1.00 0.00 C ATOM 618 C SER A 40 -9.742 -16.393 -1.956 1.00 0.00 C ATOM 619 O SER A 40 -8.751 -15.819 -1.509 1.00 0.00 O ATOM 620 CB SER A 40 -8.353 -18.327 -2.752 1.00 0.00 C ATOM 621 OG SER A 40 -8.326 -18.819 -1.414 1.00 0.00 O ATOM 0 H SER A 40 -8.790 -16.181 -4.462 1.00 0.00 H new ATOM 0 HA SER A 40 -10.466 -18.133 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.327 -19.166 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.459 -17.731 -2.937 1.00 0.00 H new ATOM 0 HG SER A 40 -7.610 -19.482 -1.324 1.00 0.00 H new ATOM 627 N PRO A 41 -11.020 -16.140 -1.566 1.00 0.00 N ATOM 628 CA PRO A 41 -11.310 -15.134 -0.558 1.00 0.00 C ATOM 629 C PRO A 41 -10.948 -15.640 0.840 1.00 0.00 C ATOM 630 O PRO A 41 -10.886 -14.860 1.789 1.00 0.00 O ATOM 631 CB PRO A 41 -12.792 -14.834 -0.715 1.00 0.00 C ATOM 632 CG PRO A 41 -13.375 -16.009 -1.484 1.00 0.00 C ATOM 633 CD PRO A 41 -12.219 -16.801 -2.073 1.00 0.00 C ATOM 0 HA PRO A 41 -10.718 -14.228 -0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.274 -14.725 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.947 -13.899 -1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.972 -16.639 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.038 -15.657 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.256 -17.845 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.246 -16.790 -3.163 1.00 0.00 H new ATOM 641 N ASP A 42 -10.715 -16.941 0.922 1.00 0.00 N ATOM 642 CA ASP A 42 -10.360 -17.560 2.188 1.00 0.00 C ATOM 643 C ASP A 42 -8.873 -17.921 2.175 1.00 0.00 C ATOM 644 O ASP A 42 -8.501 -19.050 2.493 1.00 0.00 O ATOM 645 CB ASP A 42 -11.156 -18.846 2.415 1.00 0.00 C ATOM 646 CG ASP A 42 -12.595 -18.641 2.894 1.00 0.00 C ATOM 647 OD1 ASP A 42 -13.162 -17.581 2.548 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.095 -19.547 3.594 1.00 0.00 O ATOM 0 H ASP A 42 -10.765 -17.584 0.132 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.585 -16.851 2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.176 -19.412 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.629 -19.457 3.148 1.00 0.00 H new ATOM 653 N ALA A 43 -8.062 -16.941 1.803 1.00 0.00 N ATOM 654 CA ALA A 43 -6.624 -17.141 1.745 1.00 0.00 C ATOM 655 C ALA A 43 -5.933 -16.111 2.642 1.00 0.00 C ATOM 656 O ALA A 43 -5.113 -16.469 3.485 1.00 0.00 O ATOM 657 CB ALA A 43 -6.156 -17.056 0.291 1.00 0.00 C ATOM 0 H ALA A 43 -8.374 -16.006 1.539 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.358 -18.131 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.077 -17.206 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.654 -17.827 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.403 -16.075 -0.114 1.00 0.00 H new ATOM 663 N VAL A 44 -6.291 -14.853 2.429 1.00 0.00 N ATOM 664 CA VAL A 44 -5.716 -13.770 3.207 1.00 0.00 C ATOM 665 C VAL A 44 -6.826 -12.807 3.632 1.00 0.00 C ATOM 666 O VAL A 44 -7.758 -12.553 2.869 1.00 0.00 O ATOM 667 CB VAL A 44 -4.605 -13.085 2.409 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.115 -11.824 3.123 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.446 -14.049 2.145 1.00 0.00 C ATOM 0 H VAL A 44 -6.972 -14.560 1.729 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.255 -14.157 4.116 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.020 -12.786 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.325 -11.356 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.944 -11.126 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.726 -12.090 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.670 -13.537 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.034 -14.392 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.808 -14.906 1.576 1.00 0.00 H new ATOM 679 N GLU A 45 -6.691 -12.298 4.847 1.00 0.00 N ATOM 680 CA GLU A 45 -7.673 -11.369 5.383 1.00 0.00 C ATOM 681 C GLU A 45 -7.134 -9.938 5.327 1.00 0.00 C ATOM 682 O GLU A 45 -6.044 -9.662 5.824 1.00 0.00 O ATOM 683 CB GLU A 45 -8.067 -11.752 6.811 1.00 0.00 C ATOM 684 CG GLU A 45 -8.610 -10.540 7.572 1.00 0.00 C ATOM 685 CD GLU A 45 -9.349 -10.975 8.840 1.00 0.00 C ATOM 686 OE1 GLU A 45 -10.209 -11.873 8.715 1.00 0.00 O ATOM 687 OE2 GLU A 45 -9.035 -10.400 9.905 1.00 0.00 O ATOM 0 H GLU A 45 -5.917 -12.511 5.476 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.571 -11.423 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.821 -12.538 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.201 -12.157 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.789 -9.874 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.285 -9.975 6.929 1.00 0.00 H new ATOM 694 N VAL A 46 -7.924 -9.066 4.719 1.00 0.00 N ATOM 695 CA VAL A 46 -7.541 -7.671 4.591 1.00 0.00 C ATOM 696 C VAL A 46 -8.517 -6.803 5.388 1.00 0.00 C ATOM 697 O VAL A 46 -9.726 -6.868 5.175 1.00 0.00 O ATOM 698 CB VAL A 46 -7.464 -7.282 3.113 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.288 -5.771 2.952 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.343 -8.043 2.404 1.00 0.00 C ATOM 0 H VAL A 46 -8.829 -9.299 4.309 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.547 -7.509 5.008 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.407 -7.561 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.236 -5.522 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.135 -5.256 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.367 -5.457 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.310 -7.748 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.389 -7.810 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.530 -9.115 2.474 1.00 0.00 H new ATOM 710 N THR A 47 -7.955 -6.011 6.290 1.00 0.00 N ATOM 711 CA THR A 47 -8.760 -5.132 7.119 1.00 0.00 C ATOM 712 C THR A 47 -8.016 -3.822 7.389 1.00 0.00 C ATOM 713 O THR A 47 -6.845 -3.687 7.037 1.00 0.00 O ATOM 714 CB THR A 47 -9.132 -5.893 8.393 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.967 -6.657 8.693 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.216 -6.946 8.151 1.00 0.00 C ATOM 0 H THR A 47 -6.951 -5.960 6.464 1.00 0.00 H new ATOM 0 HA THR A 47 -9.682 -4.846 6.612 1.00 0.00 H new ATOM 0 HB THR A 47 -9.474 -5.188 9.150 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.120 -7.181 9.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.443 -7.457 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.117 -6.461 7.775 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.862 -7.671 7.419 1.00 0.00 H new ATOM 724 N GLY A 48 -8.726 -2.893 8.011 1.00 0.00 N ATOM 725 CA GLY A 48 -8.146 -1.599 8.331 1.00 0.00 C ATOM 726 C GLY A 48 -8.360 -0.604 7.190 1.00 0.00 C ATOM 727 O GLY A 48 -8.388 0.606 7.412 1.00 0.00 O ATOM 0 H GLY A 48 -9.697 -3.010 8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.596 -1.211 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.079 -1.713 8.524 1.00 0.00 H new ATOM 731 N LEU A 49 -8.506 -1.150 5.990 1.00 0.00 N ATOM 732 CA LEU A 49 -8.716 -0.326 4.814 1.00 0.00 C ATOM 733 C LEU A 49 -9.722 0.778 5.142 1.00 0.00 C ATOM 734 O LEU A 49 -10.433 0.698 6.143 1.00 0.00 O ATOM 735 CB LEU A 49 -9.121 -1.190 3.619 1.00 0.00 C ATOM 736 CG LEU A 49 -7.973 -1.761 2.783 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.497 -2.719 1.713 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.123 -0.640 2.183 1.00 0.00 C ATOM 0 H LEU A 49 -8.483 -2.154 5.809 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.787 0.165 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.725 -2.020 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.759 -0.595 2.965 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.325 -2.339 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.661 -3.110 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.025 -3.544 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.180 -2.187 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.314 -1.072 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.745 -0.015 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.703 -0.033 2.985 1.00 0.00 H new ATOM 750 N PRO A 50 -9.752 1.812 4.258 1.00 0.00 N ATOM 751 CA PRO A 50 -10.660 2.930 4.445 1.00 0.00 C ATOM 752 C PRO A 50 -12.095 2.538 4.087 1.00 0.00 C ATOM 753 O PRO A 50 -12.314 1.726 3.190 1.00 0.00 O ATOM 754 CB PRO A 50 -10.109 4.036 3.560 1.00 0.00 C ATOM 755 CG PRO A 50 -9.189 3.352 2.561 1.00 0.00 C ATOM 756 CD PRO A 50 -8.925 1.941 3.062 1.00 0.00 C ATOM 0 HA PRO A 50 -10.715 3.258 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.914 4.566 3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.565 4.774 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.649 3.327 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.254 3.904 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.195 1.197 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.870 1.793 3.292 1.00 0.00 H new ATOM 764 N ASP A 51 -13.034 3.133 4.808 1.00 0.00 N ATOM 765 CA ASP A 51 -14.441 2.856 4.579 1.00 0.00 C ATOM 766 C ASP A 51 -14.814 3.272 3.154 1.00 0.00 C ATOM 767 O ASP A 51 -14.319 4.279 2.649 1.00 0.00 O ATOM 768 CB ASP A 51 -15.324 3.645 5.548 1.00 0.00 C ATOM 769 CG ASP A 51 -14.757 3.798 6.961 1.00 0.00 C ATOM 770 OD1 ASP A 51 -13.989 2.898 7.364 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.106 4.810 7.606 1.00 0.00 O ATOM 0 H ASP A 51 -12.847 3.806 5.551 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.603 1.789 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.497 4.638 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.295 3.154 5.613 1.00 0.00 H new ATOM 776 N ASP A 52 -15.680 2.476 2.546 1.00 0.00 N ATOM 777 CA ASP A 52 -16.124 2.749 1.190 1.00 0.00 C ATOM 778 C ASP A 52 -14.968 2.496 0.219 1.00 0.00 C ATOM 779 O ASP A 52 -14.825 3.202 -0.778 1.00 0.00 O ATOM 780 CB ASP A 52 -16.559 4.208 1.036 1.00 0.00 C ATOM 781 CG ASP A 52 -17.652 4.450 -0.007 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.804 4.059 0.277 1.00 0.00 O ATOM 783 OD2 ASP A 52 -17.310 5.022 -1.065 1.00 0.00 O ATOM 0 H ASP A 52 -16.087 1.641 2.968 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.969 2.096 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.913 4.570 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.687 4.806 0.772 1.00 0.00 H new ATOM 788 N ILE A 53 -14.174 1.488 0.545 1.00 0.00 N ATOM 789 CA ILE A 53 -13.035 1.133 -0.284 1.00 0.00 C ATOM 790 C ILE A 53 -12.730 -0.357 -0.113 1.00 0.00 C ATOM 791 O ILE A 53 -12.417 -0.808 0.989 1.00 0.00 O ATOM 792 CB ILE A 53 -11.846 2.044 0.020 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.173 3.502 -0.309 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.586 1.562 -0.704 1.00 0.00 C ATOM 795 CD1 ILE A 53 -10.947 4.397 -0.115 1.00 0.00 C ATOM 0 H ILE A 53 -14.297 0.905 1.373 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.266 1.292 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.643 1.993 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.523 3.576 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.986 3.849 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.755 2.228 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.343 0.551 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.761 1.564 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.207 5.428 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.615 4.339 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.145 4.062 -0.772 1.00 0.00 H new ATOM 807 N PRO A 54 -12.832 -1.099 -1.247 1.00 0.00 N ATOM 808 CA PRO A 54 -12.570 -2.529 -1.234 1.00 0.00 C ATOM 809 C PRO A 54 -11.068 -2.809 -1.145 1.00 0.00 C ATOM 810 O PRO A 54 -10.288 -1.926 -0.793 1.00 0.00 O ATOM 811 CB PRO A 54 -13.199 -3.056 -2.513 1.00 0.00 C ATOM 812 CG PRO A 54 -13.381 -1.848 -3.417 1.00 0.00 C ATOM 813 CD PRO A 54 -13.200 -0.600 -2.570 1.00 0.00 C ATOM 0 HA PRO A 54 -12.996 -3.028 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.560 -3.803 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.155 -3.538 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.655 -1.866 -4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.371 -1.859 -3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.424 0.047 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.117 -0.012 -2.530 1.00 0.00 H new ATOM 821 N PHE A 55 -10.709 -4.042 -1.471 1.00 0.00 N ATOM 822 CA PHE A 55 -9.316 -4.450 -1.432 1.00 0.00 C ATOM 823 C PHE A 55 -8.904 -5.120 -2.745 1.00 0.00 C ATOM 824 O PHE A 55 -9.047 -6.332 -2.899 1.00 0.00 O ATOM 825 CB PHE A 55 -9.177 -5.461 -0.292 1.00 0.00 C ATOM 826 CG PHE A 55 -7.990 -6.415 -0.446 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.721 -5.949 -0.300 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.204 -7.728 -0.729 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.619 -6.832 -0.443 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.102 -8.612 -0.872 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.833 -8.146 -0.726 1.00 0.00 C ATOM 0 H PHE A 55 -11.359 -4.772 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.678 -3.579 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.075 -4.920 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.094 -6.046 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.551 -4.906 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.212 -8.098 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.611 -6.461 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.272 -9.655 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.995 -8.818 -0.835 1.00 0.00 H new ATOM 841 N ARG A 56 -8.401 -4.302 -3.657 1.00 0.00 N ATOM 842 CA ARG A 56 -7.967 -4.799 -4.951 1.00 0.00 C ATOM 843 C ARG A 56 -6.659 -4.125 -5.368 1.00 0.00 C ATOM 844 O ARG A 56 -6.192 -3.203 -4.701 1.00 0.00 O ATOM 845 CB ARG A 56 -9.029 -4.545 -6.023 1.00 0.00 C ATOM 846 CG ARG A 56 -10.413 -4.977 -5.537 1.00 0.00 C ATOM 847 CD ARG A 56 -10.634 -6.473 -5.771 1.00 0.00 C ATOM 848 NE ARG A 56 -12.038 -6.831 -5.471 1.00 0.00 N ATOM 849 CZ ARG A 56 -12.534 -6.950 -4.232 1.00 0.00 C ATOM 850 NH1 ARG A 56 -11.744 -6.741 -3.170 1.00 0.00 N ATOM 851 NH2 ARG A 56 -13.822 -7.278 -4.053 1.00 0.00 N ATOM 0 H ARG A 56 -8.284 -3.297 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.811 -5.874 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.044 -3.486 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.772 -5.090 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.516 -4.752 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.180 -4.406 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.399 -6.726 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.960 -7.052 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.667 -6.998 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.764 -6.491 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.122 -6.832 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.425 -7.437 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.199 -7.368 -3.109 1.00 0.00 H new ATOM 865 N ASN A 57 -6.105 -4.611 -6.470 1.00 0.00 N ATOM 866 CA ASN A 57 -4.860 -4.066 -6.983 1.00 0.00 C ATOM 867 C ASN A 57 -4.866 -2.546 -6.818 1.00 0.00 C ATOM 868 O ASN A 57 -5.872 -1.892 -7.091 1.00 0.00 O ATOM 869 CB ASN A 57 -4.694 -4.379 -8.472 1.00 0.00 C ATOM 870 CG ASN A 57 -3.273 -4.856 -8.778 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.761 -5.789 -8.180 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.667 -4.166 -9.740 1.00 0.00 N ATOM 0 H ASN A 57 -6.496 -5.375 -7.021 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.040 -4.518 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.410 -5.146 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.917 -3.490 -9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.716 -4.407 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.154 -3.396 -10.199 1.00 0.00 H new ATOM 879 N PRO A 58 -3.702 -2.012 -6.359 1.00 0.00 N ATOM 880 CA PRO A 58 -3.565 -0.580 -6.154 1.00 0.00 C ATOM 881 C PRO A 58 -3.416 0.153 -7.489 1.00 0.00 C ATOM 882 O PRO A 58 -3.308 1.378 -7.519 1.00 0.00 O ATOM 883 CB PRO A 58 -2.351 -0.427 -5.254 1.00 0.00 C ATOM 884 CG PRO A 58 -1.580 -1.732 -5.365 1.00 0.00 C ATOM 885 CD PRO A 58 -2.490 -2.755 -6.026 1.00 0.00 C ATOM 0 HA PRO A 58 -4.446 -0.134 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.737 0.417 -5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.651 -0.237 -4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.673 -1.591 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.270 -2.077 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.028 -3.179 -6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.707 -3.585 -5.354 1.00 0.00 H new ATOM 893 N ASN A 59 -3.414 -0.627 -8.560 1.00 0.00 N ATOM 894 CA ASN A 59 -3.281 -0.067 -9.894 1.00 0.00 C ATOM 895 C ASN A 59 -4.667 0.066 -10.528 1.00 0.00 C ATOM 896 O ASN A 59 -4.995 -0.658 -11.467 1.00 0.00 O ATOM 897 CB ASN A 59 -2.436 -0.974 -10.790 1.00 0.00 C ATOM 898 CG ASN A 59 -1.687 -0.159 -11.846 1.00 0.00 C ATOM 899 OD1 ASN A 59 -2.255 0.652 -12.559 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.383 -0.418 -11.904 1.00 0.00 N ATOM 0 H ASN A 59 -3.502 -1.643 -8.531 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.796 0.905 -9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.723 -1.530 -10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.077 -1.707 -11.279 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.206 0.075 -12.575 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.028 -1.110 -11.277 1.00 0.00 H new ATOM 907 N THR A 60 -5.443 0.995 -9.990 1.00 0.00 N ATOM 908 CA THR A 60 -6.785 1.232 -10.491 1.00 0.00 C ATOM 909 C THR A 60 -7.493 2.291 -9.644 1.00 0.00 C ATOM 910 O THR A 60 -8.279 3.082 -10.161 1.00 0.00 O ATOM 911 CB THR A 60 -7.520 -0.110 -10.525 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.898 0.248 -10.451 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.283 -0.940 -9.261 1.00 0.00 C ATOM 0 H THR A 60 -5.167 1.593 -9.211 1.00 0.00 H new ATOM 0 HA THR A 60 -6.763 1.634 -11.504 1.00 0.00 H new ATOM 0 HB THR A 60 -7.198 -0.678 -11.398 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.448 -0.563 -10.469 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.827 -1.882 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.218 -1.144 -9.154 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.636 -0.386 -8.391 1.00 0.00 H new ATOM 921 N TYR A 61 -7.186 2.272 -8.355 1.00 0.00 N ATOM 922 CA TYR A 61 -7.783 3.222 -7.431 1.00 0.00 C ATOM 923 C TYR A 61 -7.646 4.654 -7.951 1.00 0.00 C ATOM 924 O TYR A 61 -7.114 4.875 -9.038 1.00 0.00 O ATOM 925 CB TYR A 61 -6.996 3.089 -6.124 1.00 0.00 C ATOM 926 CG TYR A 61 -7.239 1.773 -5.383 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.525 1.307 -5.207 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.170 1.053 -4.891 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.753 0.069 -4.508 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.397 -0.187 -4.193 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.677 -0.617 -4.036 1.00 0.00 C ATOM 932 OH TYR A 61 -7.893 -1.787 -3.377 1.00 0.00 O ATOM 0 H TYR A 61 -6.533 1.615 -7.929 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.846 3.017 -7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.932 3.180 -6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.259 3.918 -5.467 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.361 1.871 -5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.163 1.419 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.755 -0.306 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.569 -0.761 -3.804 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.075 -2.327 -3.392 1.00 0.00 H new ATOM 942 N ASP A 62 -8.137 5.589 -7.151 1.00 0.00 N ATOM 943 CA ASP A 62 -8.076 6.994 -7.517 1.00 0.00 C ATOM 944 C ASP A 62 -7.367 7.776 -6.409 1.00 0.00 C ATOM 945 O ASP A 62 -7.118 7.242 -5.330 1.00 0.00 O ATOM 946 CB ASP A 62 -9.479 7.581 -7.688 1.00 0.00 C ATOM 947 CG ASP A 62 -9.519 9.044 -8.129 1.00 0.00 C ATOM 948 OD1 ASP A 62 -8.939 9.330 -9.199 1.00 0.00 O ATOM 949 OD2 ASP A 62 -10.130 9.844 -7.389 1.00 0.00 O ATOM 0 H ASP A 62 -8.579 5.401 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.535 7.073 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.020 6.982 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.013 7.488 -6.742 1.00 0.00 H new ATOM 954 N ILE A 63 -7.064 9.030 -6.714 1.00 0.00 N ATOM 955 CA ILE A 63 -6.389 9.890 -5.758 1.00 0.00 C ATOM 956 C ILE A 63 -6.958 9.635 -4.360 1.00 0.00 C ATOM 957 O ILE A 63 -6.257 9.135 -3.482 1.00 0.00 O ATOM 958 CB ILE A 63 -6.474 11.352 -6.199 1.00 0.00 C ATOM 959 CG1 ILE A 63 -5.217 11.768 -6.965 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.750 12.270 -5.007 1.00 0.00 C ATOM 961 CD1 ILE A 63 -5.305 11.349 -8.433 1.00 0.00 C ATOM 0 H ILE A 63 -7.274 9.470 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.325 9.655 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.316 11.453 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.087 12.848 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.340 11.313 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.805 13.304 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.696 11.990 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.946 12.172 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.399 11.657 -8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.410 10.266 -8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.169 11.825 -8.896 1.00 0.00 H new ATOM 973 N HIS A 64 -8.224 9.991 -4.197 1.00 0.00 N ATOM 974 CA HIS A 64 -8.895 9.808 -2.921 1.00 0.00 C ATOM 975 C HIS A 64 -8.462 8.479 -2.300 1.00 0.00 C ATOM 976 O HIS A 64 -7.701 8.459 -1.334 1.00 0.00 O ATOM 977 CB HIS A 64 -10.412 9.920 -3.085 1.00 0.00 C ATOM 978 CG HIS A 64 -10.925 11.341 -3.098 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.211 12.045 -1.941 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.200 12.180 -4.137 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.638 13.252 -2.282 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.631 13.333 -3.643 1.00 0.00 N ATOM 0 H HIS A 64 -8.803 10.405 -4.928 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.602 10.602 -2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.704 9.431 -4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.896 9.377 -2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.086 11.945 -5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.939 14.035 -1.601 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.911 14.146 -4.191 1.00 0.00 H new ATOM 990 N ARG A 65 -8.965 7.400 -2.881 1.00 0.00 N ATOM 991 CA ARG A 65 -8.640 6.069 -2.396 1.00 0.00 C ATOM 992 C ARG A 65 -7.140 5.957 -2.120 1.00 0.00 C ATOM 993 O ARG A 65 -6.731 5.687 -0.991 1.00 0.00 O ATOM 994 CB ARG A 65 -9.046 4.999 -3.412 1.00 0.00 C ATOM 995 CG ARG A 65 -10.560 4.995 -3.630 1.00 0.00 C ATOM 996 CD ARG A 65 -11.070 3.582 -3.916 1.00 0.00 C ATOM 997 NE ARG A 65 -12.014 3.605 -5.056 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.204 4.221 -5.034 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.602 4.868 -3.929 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -13.995 4.190 -6.114 1.00 0.00 N ATOM 0 H ARG A 65 -9.595 7.420 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.196 5.907 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.539 5.182 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.723 4.019 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.059 5.393 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.813 5.652 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.232 2.923 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.564 3.179 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.742 3.122 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.999 4.891 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.507 5.337 -3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.692 3.697 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.901 4.659 -6.097 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.359 6.168 -3.170 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.913 6.094 -3.054 1.00 0.00 C ATOM 1016 C LEU A 66 -4.468 6.831 -1.789 1.00 0.00 C ATOM 1017 O LEU A 66 -3.534 6.404 -1.112 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.245 6.609 -4.332 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.355 5.699 -5.557 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.541 6.257 -6.726 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.954 4.264 -5.212 1.00 0.00 C ATOM 0 H LEU A 66 -6.701 6.390 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.593 5.057 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.680 7.576 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.189 6.779 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.398 5.673 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.635 5.593 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.915 7.246 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.493 6.330 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.041 3.638 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.923 4.249 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.611 3.880 -4.432 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.158 7.927 -1.507 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.847 8.728 -0.335 1.00 0.00 C ATOM 1035 C GLU A 67 -5.426 8.075 0.922 1.00 0.00 C ATOM 1036 O GLU A 67 -4.706 7.837 1.890 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.360 10.159 -0.497 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.381 11.004 -1.314 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.721 12.075 -0.445 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.455 12.993 -0.020 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.497 11.951 -0.223 1.00 0.00 O ATOM 0 H GLU A 67 -5.932 8.279 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.763 8.777 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.333 10.147 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.504 10.611 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.615 10.361 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.908 11.477 -2.143 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.722 7.807 0.867 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.407 7.188 1.990 1.00 0.00 C ATOM 1050 C LYS A 68 -6.597 5.984 2.473 1.00 0.00 C ATOM 1051 O LYS A 68 -6.135 5.960 3.613 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.850 6.847 1.615 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.559 8.059 1.003 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.842 8.387 1.768 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.540 9.609 1.167 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.273 10.812 1.986 1.00 0.00 N ATOM 0 H LYS A 68 -7.316 8.007 0.063 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.475 7.884 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.859 6.019 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.391 6.514 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.892 8.921 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.796 7.857 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.515 7.530 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.607 8.576 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.190 9.771 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.614 9.431 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.754 11.632 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.629 10.661 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.249 10.990 2.018 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.449 5.013 1.584 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.703 3.809 1.906 1.00 0.00 C ATOM 1072 C ILE A 69 -4.387 4.196 2.584 1.00 0.00 C ATOM 1073 O ILE A 69 -4.082 3.716 3.674 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.521 2.943 0.659 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.873 2.529 0.075 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.632 1.733 0.957 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.776 2.314 -1.436 1.00 0.00 C ATOM 0 H ILE A 69 -6.834 5.036 0.640 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.258 3.194 2.615 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.012 3.539 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.215 1.612 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.616 3.297 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.519 1.134 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.652 2.075 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.091 1.128 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.751 2.020 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.458 3.240 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.050 1.528 -1.646 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.643 5.061 1.910 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.367 5.518 2.434 1.00 0.00 C ATOM 1091 C LEU A 70 -2.590 6.195 3.788 1.00 0.00 C ATOM 1092 O LEU A 70 -1.701 6.196 4.639 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.655 6.406 1.412 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.799 5.679 0.372 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.593 6.547 -0.870 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.528 5.221 0.979 1.00 0.00 C ATOM 0 H LEU A 70 -3.899 5.457 1.006 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.701 4.673 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.406 6.996 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.018 7.108 1.951 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.333 4.784 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.018 6.008 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.560 6.781 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.090 7.472 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.117 4.707 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.080 6.088 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.333 4.541 1.808 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.780 6.755 3.945 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.131 7.433 5.182 1.00 0.00 C ATOM 1110 C LYS A 71 -4.397 6.394 6.271 1.00 0.00 C ATOM 1111 O LYS A 71 -4.109 6.631 7.444 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.297 8.396 4.952 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.863 9.846 5.173 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.072 10.784 5.190 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.418 11.207 6.619 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.438 12.280 6.609 1.00 0.00 N ATOM 0 H LYS A 71 -4.514 6.753 3.236 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.301 8.050 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.677 8.277 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.115 8.150 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.322 9.928 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.175 10.148 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.860 11.667 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.929 10.286 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.790 10.349 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.520 11.555 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.662 12.556 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.070 13.104 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.300 11.935 6.141 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.942 5.264 5.846 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.250 4.187 6.773 1.00 0.00 C ATOM 1132 C ALA A 72 -4.150 3.126 6.697 1.00 0.00 C ATOM 1133 O ALA A 72 -4.294 2.037 7.252 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.633 3.617 6.450 1.00 0.00 C ATOM 0 H ALA A 72 -5.178 5.070 4.873 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.281 4.558 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.865 2.809 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.382 4.403 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.639 3.232 5.430 1.00 0.00 H new ATOM 1140 N ARG A 73 -3.076 3.480 6.007 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.952 2.572 5.853 1.00 0.00 C ATOM 1142 C ARG A 73 -1.639 1.884 7.184 1.00 0.00 C ATOM 1143 O ARG A 73 -1.316 0.698 7.211 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.707 3.314 5.364 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.319 4.431 6.336 1.00 0.00 C ATOM 1146 CD ARG A 73 0.836 5.266 5.778 1.00 0.00 C ATOM 1147 NE ARG A 73 1.110 6.412 6.673 1.00 0.00 N ATOM 1148 CZ ARG A 73 1.967 7.401 6.385 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.638 7.391 5.225 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.153 8.402 7.257 1.00 0.00 N ATOM 0 H ARG A 73 -2.960 4.384 5.548 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.229 1.824 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.121 2.613 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.894 3.735 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.180 5.073 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.031 4.000 7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.729 4.648 5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.587 5.625 4.779 1.00 0.00 H new ATOM 0 HE ARG A 73 0.616 6.452 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.497 6.630 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.290 8.144 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.642 8.411 8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.805 9.155 7.038 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.746 2.659 8.253 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.478 2.139 9.583 1.00 0.00 C ATOM 1166 C GLU A 74 -2.596 1.189 10.017 1.00 0.00 C ATOM 1167 O GLU A 74 -2.328 0.096 10.514 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.304 3.277 10.592 1.00 0.00 C ATOM 1169 CG GLU A 74 0.162 3.705 10.686 1.00 0.00 C ATOM 1170 CD GLU A 74 0.779 3.258 12.014 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.810 2.029 12.239 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.205 4.156 12.772 1.00 0.00 O ATOM 0 H GLU A 74 -2.014 3.643 8.225 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.543 1.579 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.917 4.128 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.657 2.956 11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.724 3.275 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.235 4.789 10.593 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.824 1.639 9.812 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.984 0.843 10.176 1.00 0.00 C ATOM 1181 C HIS A 75 -4.981 -0.462 9.377 1.00 0.00 C ATOM 1182 O HIS A 75 -5.226 -1.534 9.930 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.274 1.646 9.994 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.564 2.605 11.124 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.350 2.269 12.211 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.163 3.895 11.323 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.415 3.314 13.022 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.679 4.321 12.469 1.00 0.00 N ATOM 0 H HIS A 75 -4.042 2.545 9.398 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.933 0.583 11.233 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.212 2.207 9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.110 0.954 9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.533 4.470 10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.955 3.361 13.956 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.547 5.249 12.871 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.702 -0.330 8.089 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.663 -1.485 7.208 1.00 0.00 C ATOM 1198 C VAL A 76 -3.883 -2.612 7.888 1.00 0.00 C ATOM 1199 O VAL A 76 -2.770 -2.402 8.366 1.00 0.00 O ATOM 1200 CB VAL A 76 -4.080 -1.089 5.851 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.840 -2.321 4.977 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.985 -0.081 5.139 1.00 0.00 C ATOM 0 H VAL A 76 -4.501 0.560 7.634 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.671 -1.855 7.018 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.117 -0.610 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.425 -2.011 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.139 -2.990 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.784 -2.840 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.548 0.184 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.969 -0.523 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.084 0.815 5.752 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.499 -3.785 7.908 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.876 -4.947 8.521 1.00 0.00 C ATOM 1214 C ARG A 77 -4.252 -6.217 7.754 1.00 0.00 C ATOM 1215 O ARG A 77 -5.408 -6.399 7.375 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.305 -5.095 9.982 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.703 -6.357 10.605 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.501 -6.011 11.487 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.091 -7.198 12.270 1.00 0.00 N ATOM 1220 CZ ARG A 77 -0.993 -7.249 13.036 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -0.189 -6.180 13.129 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -0.698 -8.369 13.711 1.00 0.00 N ATOM 0 H ARG A 77 -5.422 -3.956 7.510 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.796 -4.803 8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.989 -4.219 10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.392 -5.138 10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.459 -6.870 11.199 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.395 -7.045 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.672 -5.669 10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.756 -5.192 12.159 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.681 -8.029 12.224 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.413 -5.327 12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.647 -6.220 13.712 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.309 -9.182 13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.138 -8.408 14.294 1.00 0.00 H new ATOM 1236 N MET A 78 -3.253 -7.062 7.548 1.00 0.00 N ATOM 1237 CA MET A 78 -3.464 -8.310 6.834 1.00 0.00 C ATOM 1238 C MET A 78 -3.331 -9.510 7.775 1.00 0.00 C ATOM 1239 O MET A 78 -2.511 -9.497 8.691 1.00 0.00 O ATOM 1240 CB MET A 78 -2.440 -8.432 5.704 1.00 0.00 C ATOM 1241 CG MET A 78 -2.838 -7.565 4.508 1.00 0.00 C ATOM 1242 SD MET A 78 -1.587 -7.664 3.239 1.00 0.00 S ATOM 1243 CE MET A 78 -2.331 -6.631 1.988 1.00 0.00 C ATOM 0 H MET A 78 -2.295 -6.907 7.863 1.00 0.00 H new ATOM 0 HA MET A 78 -4.473 -8.305 6.423 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.457 -8.130 6.065 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.359 -9.473 5.392 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.797 -7.897 4.111 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.965 -6.530 4.825 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.550 -6.109 1.435 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.910 -7.250 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.988 -5.902 2.462 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.150 -10.518 7.515 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.135 -11.723 8.327 1.00 0.00 C ATOM 1255 C VAL A 79 -4.260 -12.947 7.417 1.00 0.00 C ATOM 1256 O VAL A 79 -5.255 -13.101 6.711 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.234 -11.652 9.389 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.273 -12.935 10.224 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.056 -10.423 10.281 1.00 0.00 C ATOM 0 H VAL A 79 -4.828 -10.525 6.753 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.190 -11.811 8.863 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.191 -11.557 8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.063 -12.859 10.971 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.470 -13.787 9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.314 -13.074 10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.850 -10.397 11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.089 -10.474 10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.101 -9.521 9.671 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.236 -13.787 7.465 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.219 -14.992 6.654 1.00 0.00 C ATOM 1271 C ILE A 80 -4.305 -15.949 7.148 1.00 0.00 C ATOM 1272 O ILE A 80 -4.069 -16.748 8.053 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.818 -15.608 6.638 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.799 -14.635 6.041 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.819 -16.954 5.913 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.161 -14.280 4.597 1.00 0.00 C ATOM 0 H ILE A 80 -2.413 -13.657 8.053 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.450 -14.755 5.615 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.516 -15.798 7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.761 -13.728 6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.195 -15.080 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.811 -17.370 5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.496 -17.640 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.150 -16.813 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.421 -13.587 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.175 -15.187 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.146 -13.813 4.573 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.472 -15.838 6.530 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.596 -16.683 6.896 1.00 0.00 C ATOM 1290 C ILE A 81 -6.132 -18.139 6.963 1.00 0.00 C ATOM 1291 O ILE A 81 -6.160 -18.756 8.026 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.771 -16.455 5.944 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.367 -15.058 6.133 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.825 -17.553 6.098 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.651 -14.778 7.609 1.00 0.00 C ATOM 0 H ILE A 81 -5.663 -15.176 5.778 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.964 -16.419 7.887 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.397 -16.510 4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.678 -14.309 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.289 -14.972 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.649 -17.366 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.377 -18.521 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.201 -17.556 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.074 -13.779 7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.359 -15.514 7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.723 -14.841 8.177 1.00 0.00 H new