USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ -122:sc= 0.832 (180deg=0) USER MOD Set 1.2: A 40 HIS : no HE2:sc= -4.45! C(o=-3.6!,f=-5.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 18 THR OG1 : rot 116:sc= -0.382 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.5 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 164:sc= 0.41 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 39 MET CE :methyl -165:sc=-0.00409 (180deg=-0.271) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00736 USER MOD Single : A 59 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.5!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.694 USER MOD Single : A 74 ASN : amide:sc=-0.000701 X(o=-0.0007,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.58) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.477 9.326 -13.773 1.00 0.00 N ATOM 60 CA GLY A 7 6.525 8.322 -13.706 1.00 0.00 C ATOM 61 C GLY A 7 6.473 7.563 -12.378 1.00 0.00 C ATOM 62 O GLY A 7 7.256 6.641 -12.155 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.416 7.621 -14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.499 8.799 -13.818 1.00 0.00 H new ATOM 66 N LEU A 8 5.543 7.979 -11.531 1.00 0.00 N ATOM 67 CA LEU A 8 5.379 7.350 -10.232 1.00 0.00 C ATOM 68 C LEU A 8 5.099 5.858 -10.424 1.00 0.00 C ATOM 69 O LEU A 8 5.692 5.020 -9.747 1.00 0.00 O ATOM 70 CB LEU A 8 4.307 8.077 -9.416 1.00 0.00 C ATOM 71 CG LEU A 8 4.455 9.596 -9.318 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.231 10.224 -8.647 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.755 9.976 -8.607 1.00 0.00 C ATOM 0 H LEU A 8 4.895 8.744 -11.719 1.00 0.00 H new ATOM 0 HA LEU A 8 6.298 7.430 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.333 7.854 -9.852 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.306 7.666 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 8 4.511 9.999 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.362 11.305 -8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.339 9.997 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.119 9.818 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.835 11.062 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.754 9.560 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.604 9.578 -9.163 1.00 0.00 H new ATOM 85 N ARG A 9 4.197 5.573 -11.351 1.00 0.00 N ATOM 86 CA ARG A 9 3.831 4.196 -11.641 1.00 0.00 C ATOM 87 C ARG A 9 5.069 3.298 -11.592 1.00 0.00 C ATOM 88 O ARG A 9 5.119 2.346 -10.815 1.00 0.00 O ATOM 89 CB ARG A 9 3.177 4.079 -13.019 1.00 0.00 C ATOM 90 CG ARG A 9 1.992 5.038 -13.147 1.00 0.00 C ATOM 91 CD ARG A 9 0.964 4.509 -14.149 1.00 0.00 C ATOM 92 NE ARG A 9 1.226 5.078 -15.490 1.00 0.00 N ATOM 93 CZ ARG A 9 2.127 4.587 -16.351 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.860 3.516 -16.017 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.297 5.168 -17.547 1.00 0.00 N ATOM 0 H ARG A 9 3.708 6.271 -11.911 1.00 0.00 H new ATOM 0 HA ARG A 9 3.115 3.875 -10.884 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.912 4.298 -13.794 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.840 3.055 -13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.521 5.171 -12.173 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.346 6.018 -13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.011 3.421 -14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.042 4.772 -13.823 1.00 0.00 H new ATOM 0 HE ARG A 9 0.687 5.895 -15.776 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.732 3.074 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.546 3.143 -16.673 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.740 5.984 -17.801 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.983 4.794 -18.203 1.00 0.00 H new ATOM 109 N LYS A 10 6.036 3.631 -12.433 1.00 0.00 N ATOM 110 CA LYS A 10 7.270 2.866 -12.497 1.00 0.00 C ATOM 111 C LYS A 10 7.884 2.780 -11.098 1.00 0.00 C ATOM 112 O LYS A 10 8.325 1.713 -10.674 1.00 0.00 O ATOM 113 CB LYS A 10 8.213 3.456 -13.547 1.00 0.00 C ATOM 114 CG LYS A 10 7.516 3.580 -14.903 1.00 0.00 C ATOM 115 CD LYS A 10 8.534 3.776 -16.028 1.00 0.00 C ATOM 116 CE LYS A 10 7.843 3.819 -17.392 1.00 0.00 C ATOM 117 NZ LYS A 10 8.391 4.918 -18.217 1.00 0.00 N ATOM 0 H LYS A 10 5.990 4.421 -13.077 1.00 0.00 H new ATOM 0 HA LYS A 10 7.069 1.845 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.558 4.437 -13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.096 2.824 -13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.925 2.685 -15.095 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.823 4.421 -14.884 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.086 4.702 -15.867 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.261 2.964 -16.010 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.980 2.868 -17.906 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.770 3.957 -17.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.911 4.932 -19.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.238 5.825 -17.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.410 4.770 -18.360 1.00 0.00 H new ATOM 131 N GLN A 11 7.893 3.918 -10.419 1.00 0.00 N ATOM 132 CA GLN A 11 8.446 3.985 -9.077 1.00 0.00 C ATOM 133 C GLN A 11 7.659 3.073 -8.133 1.00 0.00 C ATOM 134 O GLN A 11 8.220 2.149 -7.546 1.00 0.00 O ATOM 135 CB GLN A 11 8.461 5.425 -8.561 1.00 0.00 C ATOM 136 CG GLN A 11 8.985 6.385 -9.632 1.00 0.00 C ATOM 137 CD GLN A 11 9.881 7.460 -9.013 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.098 7.403 -9.080 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.214 8.439 -8.410 1.00 0.00 N ATOM 0 H GLN A 11 7.526 4.801 -10.773 1.00 0.00 H new ATOM 0 HA GLN A 11 9.478 3.636 -9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.454 5.720 -8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.087 5.490 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.545 5.827 -10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.147 6.856 -10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.194 8.425 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.722 9.204 -7.966 1.00 0.00 H new ATOM 148 N VAL A 12 6.371 3.365 -8.017 1.00 0.00 N ATOM 149 CA VAL A 12 5.502 2.583 -7.155 1.00 0.00 C ATOM 150 C VAL A 12 5.792 1.095 -7.359 1.00 0.00 C ATOM 151 O VAL A 12 6.112 0.384 -6.407 1.00 0.00 O ATOM 152 CB VAL A 12 4.039 2.948 -7.417 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.099 2.079 -6.580 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.790 4.435 -7.155 1.00 0.00 C ATOM 0 H VAL A 12 5.909 4.132 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 12 5.698 2.812 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 12 3.828 2.753 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.066 2.359 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.249 1.030 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.312 2.228 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.743 4.668 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.027 4.666 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.422 5.031 -7.813 1.00 0.00 H new ATOM 164 N GLU A 13 5.671 0.667 -8.607 1.00 0.00 N ATOM 165 CA GLU A 13 5.916 -0.724 -8.949 1.00 0.00 C ATOM 166 C GLU A 13 7.143 -1.247 -8.198 1.00 0.00 C ATOM 167 O GLU A 13 7.077 -2.284 -7.541 1.00 0.00 O ATOM 168 CB GLU A 13 6.083 -0.896 -10.460 1.00 0.00 C ATOM 169 CG GLU A 13 4.807 -0.495 -11.202 1.00 0.00 C ATOM 170 CD GLU A 13 3.899 -1.706 -11.426 1.00 0.00 C ATOM 171 OE1 GLU A 13 3.539 -2.340 -10.411 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.585 -1.969 -12.607 1.00 0.00 O ATOM 0 H GLU A 13 5.406 1.259 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 13 5.050 -1.311 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.917 -0.287 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.329 -1.933 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.273 0.264 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.066 -0.047 -12.162 1.00 0.00 H new ATOM 179 N LEU A 14 8.233 -0.504 -8.322 1.00 0.00 N ATOM 180 CA LEU A 14 9.473 -0.879 -7.663 1.00 0.00 C ATOM 181 C LEU A 14 9.233 -0.981 -6.156 1.00 0.00 C ATOM 182 O LEU A 14 9.673 -1.936 -5.517 1.00 0.00 O ATOM 183 CB LEU A 14 10.596 0.087 -8.044 1.00 0.00 C ATOM 184 CG LEU A 14 11.984 -0.247 -7.494 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.388 -1.677 -7.856 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.020 0.777 -7.961 1.00 0.00 C ATOM 0 H LEU A 14 8.283 0.356 -8.869 1.00 0.00 H new ATOM 0 HA LEU A 14 9.802 -1.862 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.658 0.129 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.322 1.085 -7.701 1.00 0.00 H new ATOM 0 HG LEU A 14 11.943 -0.190 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.378 -1.888 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.667 -2.377 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.407 -1.786 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.998 0.516 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.067 0.777 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.735 1.769 -7.610 1.00 0.00 H new ATOM 198 N LEU A 15 8.538 0.017 -5.630 1.00 0.00 N ATOM 199 CA LEU A 15 8.235 0.051 -4.210 1.00 0.00 C ATOM 200 C LEU A 15 7.502 -1.233 -3.817 1.00 0.00 C ATOM 201 O LEU A 15 7.981 -1.994 -2.979 1.00 0.00 O ATOM 202 CB LEU A 15 7.471 1.329 -3.856 1.00 0.00 C ATOM 203 CG LEU A 15 6.859 1.378 -2.454 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.940 1.247 -1.380 1.00 0.00 C ATOM 205 CD2 LEU A 15 6.016 2.641 -2.268 1.00 0.00 C ATOM 0 H LEU A 15 8.176 0.808 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 15 9.154 0.084 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.149 2.176 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.672 1.465 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 15 6.190 0.525 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.479 1.285 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.460 0.297 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.653 2.066 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.593 2.651 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.644 3.521 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.210 2.652 -3.002 1.00 0.00 H new ATOM 217 N PHE A 16 6.351 -1.434 -4.442 1.00 0.00 N ATOM 218 CA PHE A 16 5.546 -2.612 -4.169 1.00 0.00 C ATOM 219 C PHE A 16 6.338 -3.892 -4.445 1.00 0.00 C ATOM 220 O PHE A 16 6.428 -4.768 -3.586 1.00 0.00 O ATOM 221 CB PHE A 16 4.341 -2.559 -5.110 1.00 0.00 C ATOM 222 CG PHE A 16 3.295 -1.512 -4.723 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.525 -0.677 -3.674 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.135 -1.417 -5.427 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.554 0.295 -3.315 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.165 -0.445 -5.067 1.00 0.00 C ATOM 227 CZ PHE A 16 1.394 0.391 -4.019 1.00 0.00 C ATOM 0 H PHE A 16 5.957 -0.800 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 16 5.244 -2.622 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.691 -2.351 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.867 -3.540 -5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.446 -0.753 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.952 -2.081 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.737 0.958 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.244 -0.369 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.656 1.130 -3.746 1.00 0.00 H new ATOM 237 N ASN A 17 6.892 -3.960 -5.647 1.00 0.00 N ATOM 238 CA ASN A 17 7.673 -5.118 -6.047 1.00 0.00 C ATOM 239 C ASN A 17 8.795 -5.346 -5.032 1.00 0.00 C ATOM 240 O ASN A 17 9.038 -6.477 -4.614 1.00 0.00 O ATOM 241 CB ASN A 17 8.313 -4.903 -7.420 1.00 0.00 C ATOM 242 CG ASN A 17 7.284 -5.077 -8.538 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.234 -4.455 -8.553 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.642 -5.954 -9.471 1.00 0.00 N ATOM 0 H ASN A 17 6.815 -3.232 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 17 7.004 -5.977 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.745 -3.904 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.130 -5.611 -7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.023 -6.140 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.536 -6.440 -9.398 1.00 0.00 H new ATOM 251 N THR A 18 9.449 -4.254 -4.665 1.00 0.00 N ATOM 252 CA THR A 18 10.540 -4.320 -3.708 1.00 0.00 C ATOM 253 C THR A 18 10.035 -4.840 -2.360 1.00 0.00 C ATOM 254 O THR A 18 10.472 -5.891 -1.892 1.00 0.00 O ATOM 255 CB THR A 18 11.180 -2.933 -3.623 1.00 0.00 C ATOM 256 OG1 THR A 18 11.842 -2.779 -4.875 1.00 0.00 O ATOM 257 CG2 THR A 18 12.310 -2.872 -2.594 1.00 0.00 C ATOM 0 H THR A 18 9.244 -3.318 -5.014 1.00 0.00 H new ATOM 0 HA THR A 18 11.305 -5.027 -4.029 1.00 0.00 H new ATOM 0 HB THR A 18 10.418 -2.196 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.430 -2.043 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.730 -1.866 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.918 -3.122 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.089 -3.585 -2.866 1.00 0.00 H new ATOM 265 N ARG A 19 9.121 -4.080 -1.773 1.00 0.00 N ATOM 266 CA ARG A 19 8.553 -4.451 -0.489 1.00 0.00 C ATOM 267 C ARG A 19 8.201 -5.940 -0.474 1.00 0.00 C ATOM 268 O ARG A 19 8.496 -6.642 0.492 1.00 0.00 O ATOM 269 CB ARG A 19 7.295 -3.634 -0.187 1.00 0.00 C ATOM 270 CG ARG A 19 7.633 -2.152 -0.014 1.00 0.00 C ATOM 271 CD ARG A 19 8.291 -1.894 1.343 1.00 0.00 C ATOM 272 NE ARG A 19 9.223 -0.749 1.244 1.00 0.00 N ATOM 273 CZ ARG A 19 10.124 -0.430 2.183 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.220 -1.168 3.298 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.929 0.627 2.008 1.00 0.00 N ATOM 0 H ARG A 19 8.760 -3.209 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 19 9.301 -4.243 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.575 -3.755 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.821 -4.011 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.302 -1.832 -0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.725 -1.556 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.528 -1.688 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.829 -2.784 1.671 1.00 0.00 H new ATOM 0 HE ARG A 19 9.177 -0.166 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.607 -1.972 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.906 -0.925 4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.856 1.189 1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.615 0.870 2.723 1.00 0.00 H new ATOM 289 N TYR A 20 7.574 -6.378 -1.556 1.00 0.00 N ATOM 290 CA TYR A 20 7.178 -7.771 -1.680 1.00 0.00 C ATOM 291 C TYR A 20 8.362 -8.703 -1.411 1.00 0.00 C ATOM 292 O TYR A 20 8.226 -9.694 -0.696 1.00 0.00 O ATOM 293 CB TYR A 20 6.720 -7.952 -3.128 1.00 0.00 C ATOM 294 CG TYR A 20 6.016 -9.284 -3.396 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.896 -9.631 -2.668 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.501 -10.138 -4.366 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.234 -10.884 -2.920 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.839 -11.392 -4.618 1.00 0.00 C ATOM 299 CZ TYR A 20 4.738 -11.703 -3.882 1.00 0.00 C ATOM 300 OH TYR A 20 4.112 -12.887 -4.121 1.00 0.00 O ATOM 0 H TYR A 20 7.330 -5.793 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 20 6.395 -8.013 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.045 -7.137 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.586 -7.872 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.516 -8.963 -1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.377 -9.866 -4.936 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.357 -11.168 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.208 -12.070 -5.374 1.00 0.00 H new ATOM 0 HH TYR A 20 4.582 -13.367 -4.835 1.00 0.00 H new ATOM 310 N ALA A 21 9.496 -8.351 -1.999 1.00 0.00 N ATOM 311 CA ALA A 21 10.702 -9.144 -1.832 1.00 0.00 C ATOM 312 C ALA A 21 10.894 -9.466 -0.349 1.00 0.00 C ATOM 313 O ALA A 21 11.109 -10.621 0.016 1.00 0.00 O ATOM 314 CB ALA A 21 11.895 -8.390 -2.424 1.00 0.00 C ATOM 0 H ALA A 21 9.605 -7.528 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 21 10.616 -10.090 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.800 -8.985 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.722 -8.211 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.014 -7.436 -1.910 1.00 0.00 H new ATOM 320 N LYS A 22 10.810 -8.425 0.466 1.00 0.00 N ATOM 321 CA LYS A 22 10.972 -8.582 1.901 1.00 0.00 C ATOM 322 C LYS A 22 9.926 -9.570 2.423 1.00 0.00 C ATOM 323 O LYS A 22 10.161 -10.265 3.410 1.00 0.00 O ATOM 324 CB LYS A 22 10.934 -7.221 2.598 1.00 0.00 C ATOM 325 CG LYS A 22 11.418 -7.331 4.045 1.00 0.00 C ATOM 326 CD LYS A 22 11.501 -5.952 4.702 1.00 0.00 C ATOM 327 CE LYS A 22 10.665 -5.904 5.983 1.00 0.00 C ATOM 328 NZ LYS A 22 11.541 -5.914 7.175 1.00 0.00 N ATOM 0 H LYS A 22 10.632 -7.469 0.159 1.00 0.00 H new ATOM 0 HA LYS A 22 11.951 -9.003 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.560 -6.513 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.918 -6.828 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.739 -7.968 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.397 -7.809 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.540 -5.717 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.149 -5.191 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.046 -5.007 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.988 -6.758 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.957 -5.881 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.113 -6.782 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.169 -5.086 7.151 1.00 0.00 H new ATOM 342 N ALA A 23 8.793 -9.600 1.736 1.00 0.00 N ATOM 343 CA ALA A 23 7.711 -10.491 2.117 1.00 0.00 C ATOM 344 C ALA A 23 8.070 -11.924 1.719 1.00 0.00 C ATOM 345 O ALA A 23 7.421 -12.874 2.154 1.00 0.00 O ATOM 346 CB ALA A 23 6.407 -10.016 1.472 1.00 0.00 C ATOM 0 H ALA A 23 8.601 -9.022 0.918 1.00 0.00 H new ATOM 0 HA ALA A 23 7.565 -10.476 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.595 -10.685 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.181 -9.005 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.515 -10.020 0.387 1.00 0.00 H new ATOM 352 N ILE A 24 9.104 -12.034 0.897 1.00 0.00 N ATOM 353 CA ILE A 24 9.557 -13.335 0.436 1.00 0.00 C ATOM 354 C ILE A 24 11.024 -13.526 0.826 1.00 0.00 C ATOM 355 O ILE A 24 11.638 -14.531 0.472 1.00 0.00 O ATOM 356 CB ILE A 24 9.293 -13.493 -1.063 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.839 -12.297 -1.845 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.806 -13.727 -1.336 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.749 -12.541 -3.353 1.00 0.00 C ATOM 0 H ILE A 24 9.640 -11.244 0.539 1.00 0.00 H new ATOM 0 HA ILE A 24 8.992 -14.130 0.921 1.00 0.00 H new ATOM 0 HB ILE A 24 9.827 -14.376 -1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.277 -11.400 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.876 -12.117 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.646 -13.836 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.481 -14.634 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.230 -12.878 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.144 -11.676 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.332 -13.425 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.708 -12.697 -3.635 1.00 0.00 H new ATOM 371 N GLY A 25 11.544 -12.546 1.550 1.00 0.00 N ATOM 372 CA GLY A 25 12.927 -12.593 1.991 1.00 0.00 C ATOM 373 C GLY A 25 13.885 -12.353 0.822 1.00 0.00 C ATOM 374 O GLY A 25 15.013 -12.843 0.828 1.00 0.00 O ATOM 0 H GLY A 25 11.032 -11.714 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.092 -11.840 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.135 -13.563 2.443 1.00 0.00 H new ATOM 378 N ILE A 26 13.400 -11.600 -0.153 1.00 0.00 N ATOM 379 CA ILE A 26 14.198 -11.288 -1.327 1.00 0.00 C ATOM 380 C ILE A 26 14.755 -9.870 -1.198 1.00 0.00 C ATOM 381 O ILE A 26 14.108 -8.994 -0.625 1.00 0.00 O ATOM 382 CB ILE A 26 13.386 -11.516 -2.603 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.149 -13.009 -2.844 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.051 -10.841 -3.804 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.994 -13.306 -4.336 1.00 0.00 C ATOM 0 H ILE A 26 12.463 -11.196 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 26 15.053 -11.961 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 26 12.408 -11.052 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.983 -13.583 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.254 -13.329 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.453 -11.019 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.125 -9.769 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.049 -11.254 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.827 -14.374 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.144 -12.749 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.900 -13.007 -4.863 1.00 0.00 H new ATOM 397 N SER A 27 15.950 -9.686 -1.739 1.00 0.00 N ATOM 398 CA SER A 27 16.602 -8.388 -1.692 1.00 0.00 C ATOM 399 C SER A 27 16.151 -7.532 -2.877 1.00 0.00 C ATOM 400 O SER A 27 15.947 -6.327 -2.735 1.00 0.00 O ATOM 401 CB SER A 27 18.125 -8.536 -1.693 1.00 0.00 C ATOM 402 OG SER A 27 18.718 -7.965 -0.530 1.00 0.00 O ATOM 0 H SER A 27 16.484 -10.414 -2.213 1.00 0.00 H new ATOM 0 HA SER A 27 16.313 -7.894 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.386 -9.593 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.535 -8.056 -2.582 1.00 0.00 H new ATOM 0 HG SER A 27 19.690 -8.082 -0.568 1.00 0.00 H new ATOM 408 N GLU A 28 16.008 -8.188 -4.019 1.00 0.00 N ATOM 409 CA GLU A 28 15.584 -7.502 -5.228 1.00 0.00 C ATOM 410 C GLU A 28 14.057 -7.434 -5.292 1.00 0.00 C ATOM 411 O GLU A 28 13.369 -8.130 -4.547 1.00 0.00 O ATOM 412 CB GLU A 28 16.155 -8.183 -6.473 1.00 0.00 C ATOM 413 CG GLU A 28 15.203 -9.260 -6.995 1.00 0.00 C ATOM 414 CD GLU A 28 15.800 -9.982 -8.204 1.00 0.00 C ATOM 415 OE1 GLU A 28 15.732 -9.396 -9.306 1.00 0.00 O ATOM 416 OE2 GLU A 28 16.312 -11.104 -8.000 1.00 0.00 O ATOM 0 H GLU A 28 16.178 -9.187 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 28 15.973 -6.484 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.330 -7.439 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.121 -8.630 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.994 -9.980 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.252 -8.806 -7.272 1.00 0.00 H new ATOM 423 N PRO A 29 13.559 -6.566 -6.213 1.00 0.00 N ATOM 424 CA PRO A 29 12.126 -6.398 -6.384 1.00 0.00 C ATOM 425 C PRO A 29 11.519 -7.589 -7.128 1.00 0.00 C ATOM 426 O PRO A 29 12.110 -8.098 -8.079 1.00 0.00 O ATOM 427 CB PRO A 29 11.971 -5.086 -7.136 1.00 0.00 C ATOM 428 CG PRO A 29 13.326 -4.803 -7.764 1.00 0.00 C ATOM 429 CD PRO A 29 14.343 -5.725 -7.112 1.00 0.00 C ATOM 0 HA PRO A 29 11.590 -6.364 -5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.195 -5.162 -7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.677 -4.282 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.291 -4.973 -8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.606 -3.760 -7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.869 -6.323 -7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.098 -5.159 -6.567 1.00 0.00 H new ATOM 437 N VAL A 30 10.346 -7.999 -6.666 1.00 0.00 N ATOM 438 CA VAL A 30 9.653 -9.121 -7.276 1.00 0.00 C ATOM 439 C VAL A 30 8.231 -8.694 -7.648 1.00 0.00 C ATOM 440 O VAL A 30 7.753 -7.655 -7.197 1.00 0.00 O ATOM 441 CB VAL A 30 9.689 -10.330 -6.339 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.760 -11.438 -6.839 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.118 -10.847 -6.166 1.00 0.00 C ATOM 0 H VAL A 30 9.859 -7.574 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 30 10.153 -9.425 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 30 9.330 -10.008 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.804 -12.286 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.738 -11.062 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.075 -11.756 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.115 -11.706 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.517 -11.145 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.741 -10.059 -5.743 1.00 0.00 H new ATOM 453 N LYS A 31 7.596 -9.519 -8.467 1.00 0.00 N ATOM 454 CA LYS A 31 6.238 -9.241 -8.905 1.00 0.00 C ATOM 455 C LYS A 31 5.293 -9.322 -7.705 1.00 0.00 C ATOM 456 O LYS A 31 5.496 -10.136 -6.804 1.00 0.00 O ATOM 457 CB LYS A 31 5.847 -10.166 -10.059 1.00 0.00 C ATOM 458 CG LYS A 31 6.637 -9.827 -11.325 1.00 0.00 C ATOM 459 CD LYS A 31 6.060 -10.552 -12.542 1.00 0.00 C ATOM 460 CE LYS A 31 7.052 -11.579 -13.090 1.00 0.00 C ATOM 461 NZ LYS A 31 6.622 -12.952 -12.743 1.00 0.00 N ATOM 0 H LYS A 31 7.996 -10.380 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 31 6.166 -8.228 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.032 -11.203 -9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.779 -10.075 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.615 -8.750 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.682 -10.107 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.131 -11.050 -12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.815 -9.828 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.128 -11.478 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.045 -11.388 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.307 -13.637 -13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.572 -13.049 -11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.684 -13.136 -13.153 1.00 0.00 H new ATOM 475 N VAL A 32 4.280 -8.468 -7.731 1.00 0.00 N ATOM 476 CA VAL A 32 3.303 -8.434 -6.656 1.00 0.00 C ATOM 477 C VAL A 32 1.970 -8.984 -7.166 1.00 0.00 C ATOM 478 O VAL A 32 1.353 -8.400 -8.056 1.00 0.00 O ATOM 479 CB VAL A 32 3.190 -7.013 -6.098 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.839 -6.801 -5.410 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.345 -6.705 -5.144 1.00 0.00 C ATOM 0 H VAL A 32 4.115 -7.795 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 32 3.621 -9.070 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 32 3.253 -6.318 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.784 -5.784 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.036 -6.959 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.734 -7.509 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.240 -5.689 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.327 -7.409 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.291 -6.797 -5.677 1.00 0.00 H new ATOM 491 N PRO A 33 1.554 -10.131 -6.566 1.00 0.00 N ATOM 492 CA PRO A 33 0.305 -10.767 -6.950 1.00 0.00 C ATOM 493 C PRO A 33 -0.895 -9.999 -6.393 1.00 0.00 C ATOM 494 O PRO A 33 -1.646 -10.523 -5.572 1.00 0.00 O ATOM 495 CB PRO A 33 0.404 -12.185 -6.413 1.00 0.00 C ATOM 496 CG PRO A 33 1.493 -12.154 -5.352 1.00 0.00 C ATOM 497 CD PRO A 33 2.259 -10.850 -5.508 1.00 0.00 C ATOM 0 HA PRO A 33 0.151 -10.774 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.546 -12.509 -5.988 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.653 -12.887 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.057 -12.224 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.163 -13.006 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.265 -10.281 -4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.299 -11.032 -5.778 1.00 0.00 H new ATOM 505 N TYR A 34 -1.039 -8.768 -6.862 1.00 0.00 N ATOM 506 CA TYR A 34 -2.136 -7.922 -6.422 1.00 0.00 C ATOM 507 C TYR A 34 -3.408 -8.743 -6.205 1.00 0.00 C ATOM 508 O TYR A 34 -3.924 -8.814 -5.091 1.00 0.00 O ATOM 509 CB TYR A 34 -2.376 -6.920 -7.552 1.00 0.00 C ATOM 510 CG TYR A 34 -1.232 -5.923 -7.753 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.552 -5.424 -6.661 1.00 0.00 C ATOM 512 CD2 TYR A 34 -0.882 -5.523 -9.026 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.524 -4.486 -6.850 1.00 0.00 C ATOM 514 CE2 TYR A 34 0.194 -4.585 -9.216 1.00 0.00 C ATOM 515 CZ TYR A 34 0.844 -4.113 -8.118 1.00 0.00 C ATOM 516 OH TYR A 34 1.860 -3.227 -8.297 1.00 0.00 O ATOM 0 H TYR A 34 -0.414 -8.336 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.891 -7.436 -5.478 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.535 -7.467 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.293 -6.368 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.827 -5.737 -5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.415 -5.913 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.065 -4.088 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.478 -4.264 -10.207 1.00 0.00 H new ATOM 0 HH TYR A 34 2.148 -3.244 -9.234 1.00 0.00 H new ATOM 526 N SER A 35 -3.878 -9.344 -7.289 1.00 0.00 N ATOM 527 CA SER A 35 -5.081 -10.157 -7.232 1.00 0.00 C ATOM 528 C SER A 35 -5.106 -10.964 -5.932 1.00 0.00 C ATOM 529 O SER A 35 -6.072 -10.897 -5.174 1.00 0.00 O ATOM 530 CB SER A 35 -5.171 -11.093 -8.439 1.00 0.00 C ATOM 531 OG SER A 35 -4.734 -10.460 -9.639 1.00 0.00 O ATOM 0 H SER A 35 -3.447 -9.284 -8.212 1.00 0.00 H new ATOM 0 HA SER A 35 -5.944 -9.492 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.565 -11.980 -8.256 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.201 -11.430 -8.561 1.00 0.00 H new ATOM 0 HG SER A 35 -4.805 -11.090 -10.386 1.00 0.00 H new ATOM 537 N LYS A 36 -4.032 -11.709 -5.715 1.00 0.00 N ATOM 538 CA LYS A 36 -3.918 -12.528 -4.520 1.00 0.00 C ATOM 539 C LYS A 36 -4.268 -11.684 -3.293 1.00 0.00 C ATOM 540 O LYS A 36 -5.025 -12.123 -2.429 1.00 0.00 O ATOM 541 CB LYS A 36 -2.535 -13.178 -4.446 1.00 0.00 C ATOM 542 CG LYS A 36 -2.296 -14.099 -5.644 1.00 0.00 C ATOM 543 CD LYS A 36 -3.456 -15.082 -5.819 1.00 0.00 C ATOM 544 CE LYS A 36 -3.774 -15.794 -4.503 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.798 -16.841 -4.715 1.00 0.00 N ATOM 0 H LYS A 36 -3.233 -11.763 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.630 -13.352 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.767 -12.405 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.446 -13.748 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.180 -13.502 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.366 -14.650 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.339 -14.549 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.202 -15.817 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.867 -16.241 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.130 -15.072 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.619 -16.653 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.099 -16.836 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.397 -17.771 -4.479 1.00 0.00 H new ATOM 559 N PHE A 37 -3.700 -10.488 -3.257 1.00 0.00 N ATOM 560 CA PHE A 37 -3.942 -9.578 -2.150 1.00 0.00 C ATOM 561 C PHE A 37 -5.348 -8.980 -2.229 1.00 0.00 C ATOM 562 O PHE A 37 -5.885 -8.510 -1.227 1.00 0.00 O ATOM 563 CB PHE A 37 -2.914 -8.451 -2.264 1.00 0.00 C ATOM 564 CG PHE A 37 -1.520 -8.827 -1.760 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.716 -9.624 -2.515 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.083 -8.365 -0.558 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.578 -9.974 -2.047 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.211 -8.714 -0.090 1.00 0.00 C ATOM 569 CZ PHE A 37 1.015 -9.511 -0.845 1.00 0.00 C ATOM 0 H PHE A 37 -3.073 -10.128 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.856 -10.112 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.841 -8.144 -3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.272 -7.588 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.062 -9.990 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.721 -7.732 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.215 -10.608 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.557 -8.347 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.000 -9.776 -0.490 1.00 0.00 H new ATOM 579 N LEU A 38 -5.906 -9.017 -3.431 1.00 0.00 N ATOM 580 CA LEU A 38 -7.239 -8.485 -3.654 1.00 0.00 C ATOM 581 C LEU A 38 -8.276 -9.496 -3.163 1.00 0.00 C ATOM 582 O LEU A 38 -9.119 -9.170 -2.328 1.00 0.00 O ATOM 583 CB LEU A 38 -7.417 -8.085 -5.120 1.00 0.00 C ATOM 584 CG LEU A 38 -6.496 -6.975 -5.630 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.746 -6.691 -7.112 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.631 -5.714 -4.774 1.00 0.00 C ATOM 0 H LEU A 38 -5.458 -9.407 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.386 -7.572 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.264 -8.969 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.450 -7.769 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.466 -7.318 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.078 -5.898 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.558 -7.594 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.781 -6.378 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.966 -4.941 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.661 -5.358 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.363 -5.944 -3.743 1.00 0.00 H new ATOM 598 N MET A 39 -8.181 -10.703 -3.700 1.00 0.00 N ATOM 599 CA MET A 39 -9.100 -11.764 -3.326 1.00 0.00 C ATOM 600 C MET A 39 -8.839 -12.237 -1.895 1.00 0.00 C ATOM 601 O MET A 39 -9.721 -12.808 -1.255 1.00 0.00 O ATOM 602 CB MET A 39 -8.940 -12.942 -4.290 1.00 0.00 C ATOM 603 CG MET A 39 -9.216 -12.511 -5.732 1.00 0.00 C ATOM 604 SD MET A 39 -9.223 -13.938 -6.805 1.00 0.00 S ATOM 605 CE MET A 39 -7.476 -14.305 -6.844 1.00 0.00 C ATOM 0 H MET A 39 -7.481 -10.970 -4.392 1.00 0.00 H new ATOM 0 HA MET A 39 -10.116 -11.374 -3.380 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.930 -13.344 -4.214 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.624 -13.743 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.176 -11.998 -5.789 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.456 -11.802 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.266 -14.990 -7.665 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.914 -13.383 -6.989 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.180 -14.766 -5.902 1.00 0.00 H new ATOM 615 N HIS A 40 -7.623 -11.982 -1.434 1.00 0.00 N ATOM 616 CA HIS A 40 -7.235 -12.374 -0.090 1.00 0.00 C ATOM 617 C HIS A 40 -6.580 -11.189 0.622 1.00 0.00 C ATOM 618 O HIS A 40 -5.382 -11.213 0.901 1.00 0.00 O ATOM 619 CB HIS A 40 -6.340 -13.615 -0.123 1.00 0.00 C ATOM 620 CG HIS A 40 -6.805 -14.682 -1.085 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.700 -15.675 -0.728 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.490 -14.900 -2.394 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.907 -16.450 -1.782 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.156 -15.969 -2.813 1.00 0.00 N ATOM 0 H HIS A 40 -6.894 -11.509 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.121 -12.651 0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.328 -13.313 -0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.290 -14.041 0.879 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -8.128 -15.791 0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.814 -14.304 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.557 -17.312 -1.818 1.00 0.00 H new ATOM 632 N PRO A 41 -7.415 -10.153 0.902 1.00 0.00 N ATOM 633 CA PRO A 41 -6.929 -8.961 1.575 1.00 0.00 C ATOM 634 C PRO A 41 -6.703 -9.226 3.065 1.00 0.00 C ATOM 635 O PRO A 41 -5.853 -8.594 3.690 1.00 0.00 O ATOM 636 CB PRO A 41 -7.989 -7.903 1.315 1.00 0.00 C ATOM 637 CG PRO A 41 -9.242 -8.660 0.906 1.00 0.00 C ATOM 638 CD PRO A 41 -8.839 -10.090 0.586 1.00 0.00 C ATOM 0 HA PRO A 41 -5.958 -8.634 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.169 -7.303 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.672 -7.218 0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.978 -8.642 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.705 -8.191 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.409 -10.804 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.023 -10.328 -0.462 1.00 0.00 H new ATOM 646 N GLU A 42 -7.478 -10.163 3.591 1.00 0.00 N ATOM 647 CA GLU A 42 -7.373 -10.520 4.996 1.00 0.00 C ATOM 648 C GLU A 42 -6.147 -11.405 5.228 1.00 0.00 C ATOM 649 O GLU A 42 -5.667 -11.525 6.354 1.00 0.00 O ATOM 650 CB GLU A 42 -8.648 -11.211 5.483 1.00 0.00 C ATOM 651 CG GLU A 42 -9.577 -10.217 6.183 1.00 0.00 C ATOM 652 CD GLU A 42 -9.691 -10.531 7.676 1.00 0.00 C ATOM 653 OE1 GLU A 42 -9.774 -11.735 7.998 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.694 -9.558 8.462 1.00 0.00 O ATOM 0 H GLU A 42 -8.181 -10.686 3.070 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.251 -9.605 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.166 -11.665 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.389 -12.018 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.199 -9.204 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.565 -10.252 5.724 1.00 0.00 H new ATOM 661 N GLU A 43 -5.674 -12.003 4.144 1.00 0.00 N ATOM 662 CA GLU A 43 -4.513 -12.874 4.215 1.00 0.00 C ATOM 663 C GLU A 43 -3.264 -12.134 3.732 1.00 0.00 C ATOM 664 O GLU A 43 -2.247 -12.110 4.422 1.00 0.00 O ATOM 665 CB GLU A 43 -4.738 -14.154 3.408 1.00 0.00 C ATOM 666 CG GLU A 43 -5.900 -14.967 3.983 1.00 0.00 C ATOM 667 CD GLU A 43 -7.228 -14.231 3.798 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.629 -14.069 2.625 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.813 -13.847 4.834 1.00 0.00 O ATOM 0 H GLU A 43 -6.074 -11.901 3.211 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.362 -13.161 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.946 -13.901 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.830 -14.757 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.947 -15.939 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.728 -15.154 5.043 1.00 0.00 H new ATOM 676 N LEU A 44 -3.383 -11.547 2.550 1.00 0.00 N ATOM 677 CA LEU A 44 -2.276 -10.808 1.967 1.00 0.00 C ATOM 678 C LEU A 44 -2.669 -9.336 1.826 1.00 0.00 C ATOM 679 O LEU A 44 -3.576 -9.002 1.065 1.00 0.00 O ATOM 680 CB LEU A 44 -1.834 -11.455 0.652 1.00 0.00 C ATOM 681 CG LEU A 44 -1.988 -12.975 0.567 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.929 -13.451 -0.885 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.954 -13.682 1.445 1.00 0.00 C ATOM 0 H LEU A 44 -4.229 -11.568 1.980 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.406 -10.845 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.405 -11.006 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.787 -11.206 0.482 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.972 -13.240 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.041 -14.535 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.734 -12.986 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.970 -13.172 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.086 -14.761 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.049 -13.414 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.087 -13.375 2.483 1.00 0.00 H new ATOM 695 N PHE A 45 -1.967 -8.496 2.571 1.00 0.00 N ATOM 696 CA PHE A 45 -2.231 -7.067 2.539 1.00 0.00 C ATOM 697 C PHE A 45 -0.939 -6.267 2.708 1.00 0.00 C ATOM 698 O PHE A 45 0.142 -6.843 2.827 1.00 0.00 O ATOM 699 CB PHE A 45 -3.165 -6.758 3.711 1.00 0.00 C ATOM 700 CG PHE A 45 -2.620 -7.194 5.073 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.689 -6.433 5.708 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.066 -8.343 5.648 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.183 -6.837 6.971 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.560 -8.747 6.912 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.629 -7.986 7.547 1.00 0.00 C ATOM 0 H PHE A 45 -1.215 -8.777 3.201 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.674 -6.792 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.359 -5.686 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.122 -7.251 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.334 -5.521 5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.805 -8.948 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.444 -6.232 7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.915 -9.659 7.369 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.244 -8.294 8.508 1.00 0.00 H new ATOM 715 N VAL A 46 -1.092 -4.950 2.713 1.00 0.00 N ATOM 716 CA VAL A 46 0.050 -4.065 2.865 1.00 0.00 C ATOM 717 C VAL A 46 -0.210 -3.098 4.021 1.00 0.00 C ATOM 718 O VAL A 46 -1.330 -2.619 4.195 1.00 0.00 O ATOM 719 CB VAL A 46 0.339 -3.351 1.542 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.469 -2.332 1.705 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.662 -4.357 0.436 1.00 0.00 C ATOM 0 H VAL A 46 -1.989 -4.475 2.614 1.00 0.00 H new ATOM 0 HA VAL A 46 0.945 -4.636 3.113 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.560 -2.809 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.655 -1.839 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.184 -1.588 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.375 -2.842 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.863 -3.824 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.540 -4.939 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.186 -5.026 0.294 1.00 0.00 H new ATOM 731 N VAL A 47 0.842 -2.839 4.783 1.00 0.00 N ATOM 732 CA VAL A 47 0.741 -1.938 5.918 1.00 0.00 C ATOM 733 C VAL A 47 1.699 -0.762 5.717 1.00 0.00 C ATOM 734 O VAL A 47 2.715 -0.894 5.036 1.00 0.00 O ATOM 735 CB VAL A 47 0.998 -2.703 7.218 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.150 -3.668 7.523 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.337 -3.442 7.164 1.00 0.00 C ATOM 0 H VAL A 47 1.769 -3.238 4.636 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.266 -1.528 5.992 1.00 0.00 H new ATOM 0 HB VAL A 47 1.049 -1.977 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.058 -4.199 8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.079 -3.107 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.248 -4.386 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.495 -3.977 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.328 -4.152 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.143 -2.724 7.016 1.00 0.00 H new ATOM 747 N GLY A 48 1.342 0.361 6.322 1.00 0.00 N ATOM 748 CA GLY A 48 2.157 1.559 6.218 1.00 0.00 C ATOM 749 C GLY A 48 1.564 2.540 5.205 1.00 0.00 C ATOM 750 O GLY A 48 1.790 3.745 5.296 1.00 0.00 O ATOM 0 H GLY A 48 0.499 0.467 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.231 2.039 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.170 1.289 5.918 1.00 0.00 H new ATOM 754 N LEU A 49 0.817 1.986 4.261 1.00 0.00 N ATOM 755 CA LEU A 49 0.189 2.797 3.231 1.00 0.00 C ATOM 756 C LEU A 49 -0.359 4.079 3.861 1.00 0.00 C ATOM 757 O LEU A 49 -0.645 4.114 5.057 1.00 0.00 O ATOM 758 CB LEU A 49 -0.864 1.983 2.476 1.00 0.00 C ATOM 759 CG LEU A 49 -0.329 0.982 1.450 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.400 -0.046 1.078 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.227 1.702 0.220 1.00 0.00 C ATOM 0 H LEU A 49 0.632 0.986 4.188 1.00 0.00 H new ATOM 0 HA LEU A 49 0.922 3.098 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.466 1.440 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.532 2.676 1.964 1.00 0.00 H new ATOM 0 HG LEU A 49 0.498 0.436 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.994 -0.746 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.707 -0.591 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.262 0.465 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.601 0.968 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.564 2.290 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.041 2.362 0.521 1.00 0.00 H new ATOM 773 N PRO A 50 -0.493 5.127 3.006 1.00 0.00 N ATOM 774 CA PRO A 50 -1.002 6.408 3.466 1.00 0.00 C ATOM 775 C PRO A 50 -2.515 6.350 3.686 1.00 0.00 C ATOM 776 O PRO A 50 -3.104 5.270 3.690 1.00 0.00 O ATOM 777 CB PRO A 50 -0.596 7.402 2.390 1.00 0.00 C ATOM 778 CG PRO A 50 -0.286 6.575 1.153 1.00 0.00 C ATOM 779 CD PRO A 50 -0.164 5.122 1.583 1.00 0.00 C ATOM 0 HA PRO A 50 -0.594 6.700 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.398 8.113 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.274 7.980 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.076 6.688 0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.640 6.915 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.846 4.484 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.843 4.741 1.411 1.00 0.00 H new ATOM 787 N GLU A 51 -3.100 7.525 3.863 1.00 0.00 N ATOM 788 CA GLU A 51 -4.534 7.621 4.083 1.00 0.00 C ATOM 789 C GLU A 51 -5.272 7.691 2.745 1.00 0.00 C ATOM 790 O GLU A 51 -4.827 8.368 1.820 1.00 0.00 O ATOM 791 CB GLU A 51 -4.874 8.828 4.961 1.00 0.00 C ATOM 792 CG GLU A 51 -4.504 10.137 4.260 1.00 0.00 C ATOM 793 CD GLU A 51 -3.870 11.124 5.242 1.00 0.00 C ATOM 794 OE1 GLU A 51 -2.988 10.677 6.006 1.00 0.00 O ATOM 795 OE2 GLU A 51 -4.282 12.304 5.206 1.00 0.00 O ATOM 0 H GLU A 51 -2.608 8.419 3.859 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.862 6.725 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.939 8.824 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.340 8.755 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.810 9.933 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.395 10.581 3.817 1.00 0.00 H new ATOM 802 N GLY A 52 -6.390 6.981 2.685 1.00 0.00 N ATOM 803 CA GLY A 52 -7.195 6.953 1.476 1.00 0.00 C ATOM 804 C GLY A 52 -6.454 6.245 0.340 1.00 0.00 C ATOM 805 O GLY A 52 -6.660 6.560 -0.831 1.00 0.00 O ATOM 0 H GLY A 52 -6.757 6.421 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.137 6.442 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.441 7.971 1.175 1.00 0.00 H new ATOM 809 N ILE A 53 -5.607 5.303 0.726 1.00 0.00 N ATOM 810 CA ILE A 53 -4.834 4.548 -0.246 1.00 0.00 C ATOM 811 C ILE A 53 -4.673 3.107 0.245 1.00 0.00 C ATOM 812 O ILE A 53 -4.510 2.870 1.441 1.00 0.00 O ATOM 813 CB ILE A 53 -3.506 5.250 -0.537 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.733 6.714 -0.920 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.708 4.495 -1.602 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.439 7.355 -1.426 1.00 0.00 C ATOM 0 H ILE A 53 -5.439 5.045 1.698 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.360 4.504 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.909 5.245 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.500 6.777 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.103 7.266 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.769 5.015 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.499 3.484 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.287 4.447 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.628 8.395 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.681 7.312 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.085 6.815 -2.304 1.00 0.00 H new ATOM 828 N SER A 54 -4.724 2.184 -0.703 1.00 0.00 N ATOM 829 CA SER A 54 -4.586 0.773 -0.382 1.00 0.00 C ATOM 830 C SER A 54 -3.667 0.093 -1.398 1.00 0.00 C ATOM 831 O SER A 54 -2.781 0.731 -1.964 1.00 0.00 O ATOM 832 CB SER A 54 -5.950 0.079 -0.351 1.00 0.00 C ATOM 833 OG SER A 54 -5.990 -0.976 0.606 1.00 0.00 O ATOM 0 H SER A 54 -4.859 2.385 -1.694 1.00 0.00 H new ATOM 0 HA SER A 54 -4.144 0.690 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.724 0.810 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.177 -0.320 -1.340 1.00 0.00 H new ATOM 0 HG SER A 54 -6.877 -1.393 0.597 1.00 0.00 H new ATOM 839 N LEU A 55 -3.910 -1.194 -1.599 1.00 0.00 N ATOM 840 CA LEU A 55 -3.115 -1.968 -2.537 1.00 0.00 C ATOM 841 C LEU A 55 -3.885 -2.117 -3.850 1.00 0.00 C ATOM 842 O LEU A 55 -4.943 -2.744 -3.886 1.00 0.00 O ATOM 843 CB LEU A 55 -2.699 -3.302 -1.914 1.00 0.00 C ATOM 844 CG LEU A 55 -1.716 -4.146 -2.728 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.431 -3.367 -3.014 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.436 -5.481 -2.037 1.00 0.00 C ATOM 0 H LEU A 55 -4.646 -1.720 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.186 -1.447 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.254 -3.102 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.597 -3.894 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.176 -4.373 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.250 -3.990 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.670 -2.466 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.043 -3.089 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.735 -6.061 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.006 -5.298 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.367 -6.037 -1.929 1.00 0.00 H new ATOM 858 N ARG A 56 -3.325 -1.529 -4.898 1.00 0.00 N ATOM 859 CA ARG A 56 -3.946 -1.588 -6.210 1.00 0.00 C ATOM 860 C ARG A 56 -2.968 -1.105 -7.282 1.00 0.00 C ATOM 861 O ARG A 56 -1.957 -0.478 -6.969 1.00 0.00 O ATOM 862 CB ARG A 56 -5.211 -0.729 -6.259 1.00 0.00 C ATOM 863 CG ARG A 56 -6.420 -1.501 -5.725 1.00 0.00 C ATOM 864 CD ARG A 56 -7.694 -1.113 -6.477 1.00 0.00 C ATOM 865 NE ARG A 56 -8.713 -2.177 -6.330 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.451 -2.363 -5.228 1.00 0.00 C ATOM 867 NH1 ARG A 56 -9.289 -1.557 -4.170 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.352 -3.354 -5.184 1.00 0.00 N ATOM 0 H ARG A 56 -2.448 -1.010 -4.864 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.217 -2.626 -6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.063 0.176 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.401 -0.413 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.246 -2.572 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.545 -1.298 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.082 -0.171 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.470 -0.956 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.862 -2.808 -7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.604 -0.802 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.851 -1.698 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.476 -3.967 -5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.914 -3.495 -4.345 1.00 0.00 H new ATOM 882 N ARG A 57 -3.302 -1.416 -8.526 1.00 0.00 N ATOM 883 CA ARG A 57 -2.466 -1.022 -9.647 1.00 0.00 C ATOM 884 C ARG A 57 -2.036 0.440 -9.500 1.00 0.00 C ATOM 885 O ARG A 57 -2.856 1.303 -9.191 1.00 0.00 O ATOM 886 CB ARG A 57 -3.205 -1.198 -10.975 1.00 0.00 C ATOM 887 CG ARG A 57 -2.745 -2.468 -11.694 1.00 0.00 C ATOM 888 CD ARG A 57 -3.942 -3.286 -12.182 1.00 0.00 C ATOM 889 NE ARG A 57 -4.411 -4.188 -11.105 1.00 0.00 N ATOM 890 CZ ARG A 57 -3.905 -5.407 -10.873 1.00 0.00 C ATOM 891 NH1 ARG A 57 -2.913 -5.877 -11.640 1.00 0.00 N ATOM 892 NH2 ARG A 57 -4.393 -6.155 -9.874 1.00 0.00 N ATOM 0 H ARG A 57 -4.141 -1.937 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.586 -1.665 -9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.279 -1.247 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.028 -0.331 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.112 -2.202 -12.541 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.138 -3.072 -11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.749 -2.619 -12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.662 -3.869 -13.059 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.166 -3.861 -10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.543 -5.307 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.528 -6.805 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.149 -5.796 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.008 -7.083 -9.697 1.00 0.00 H new ATOM 906 N PRO A 58 -0.718 0.678 -9.736 1.00 0.00 N ATOM 907 CA PRO A 58 -0.170 2.019 -9.633 1.00 0.00 C ATOM 908 C PRO A 58 -0.575 2.871 -10.839 1.00 0.00 C ATOM 909 O PRO A 58 0.275 3.478 -11.488 1.00 0.00 O ATOM 910 CB PRO A 58 1.333 1.823 -9.523 1.00 0.00 C ATOM 911 CG PRO A 58 1.608 0.417 -10.033 1.00 0.00 C ATOM 912 CD PRO A 58 0.281 -0.321 -10.105 1.00 0.00 C ATOM 0 HA PRO A 58 -0.551 2.564 -8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.868 2.565 -10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.667 1.937 -8.492 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.079 0.453 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.298 -0.102 -9.368 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.099 -0.712 -11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.263 -1.171 -9.422 1.00 0.00 H new ATOM 920 N ASN A 59 -1.874 2.888 -11.101 1.00 0.00 N ATOM 921 CA ASN A 59 -2.401 3.655 -12.217 1.00 0.00 C ATOM 922 C ASN A 59 -3.756 4.249 -11.826 1.00 0.00 C ATOM 923 O ASN A 59 -4.008 5.431 -12.055 1.00 0.00 O ATOM 924 CB ASN A 59 -2.611 2.767 -13.445 1.00 0.00 C ATOM 925 CG ASN A 59 -3.453 3.484 -14.503 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.664 4.685 -14.455 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.919 2.683 -15.457 1.00 0.00 N ATOM 0 H ASN A 59 -2.576 2.383 -10.560 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.683 4.439 -12.457 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.645 2.492 -13.869 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.104 1.841 -13.149 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.491 3.066 -16.210 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.704 1.686 -15.436 1.00 0.00 H new ATOM 934 N CYS A 60 -4.592 3.402 -11.243 1.00 0.00 N ATOM 935 CA CYS A 60 -5.914 3.829 -10.819 1.00 0.00 C ATOM 936 C CYS A 60 -5.753 5.014 -9.865 1.00 0.00 C ATOM 937 O CYS A 60 -6.651 5.847 -9.747 1.00 0.00 O ATOM 938 CB CYS A 60 -6.700 2.683 -10.177 1.00 0.00 C ATOM 939 SG CYS A 60 -6.993 1.360 -11.407 1.00 0.00 S ATOM 0 H CYS A 60 -4.379 2.422 -11.055 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.495 4.139 -11.688 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.148 2.284 -9.326 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.651 3.053 -9.795 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.659 0.391 -10.852 1.00 0.00 H new ATOM 945 N PHE A 61 -4.603 5.053 -9.209 1.00 0.00 N ATOM 946 CA PHE A 61 -4.312 6.123 -8.270 1.00 0.00 C ATOM 947 C PHE A 61 -3.872 7.392 -9.003 1.00 0.00 C ATOM 948 O PHE A 61 -3.445 7.331 -10.155 1.00 0.00 O ATOM 949 CB PHE A 61 -3.166 5.639 -7.380 1.00 0.00 C ATOM 950 CG PHE A 61 -3.535 4.459 -6.478 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.140 4.682 -5.281 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.257 3.188 -6.873 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.482 3.587 -4.443 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.599 2.093 -6.036 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.204 2.316 -4.838 1.00 0.00 C ATOM 0 H PHE A 61 -3.861 4.360 -9.309 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.204 6.361 -7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.325 5.351 -8.012 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.828 6.467 -6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.361 5.692 -4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.776 3.011 -7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.963 3.764 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.379 1.083 -6.350 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.463 1.484 -4.201 1.00 0.00 H new ATOM 965 N GLY A 62 -3.991 8.512 -8.305 1.00 0.00 N ATOM 966 CA GLY A 62 -3.610 9.793 -8.875 1.00 0.00 C ATOM 967 C GLY A 62 -2.193 10.183 -8.450 1.00 0.00 C ATOM 968 O GLY A 62 -1.697 9.714 -7.427 1.00 0.00 O ATOM 0 H GLY A 62 -4.346 8.559 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.666 9.742 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.314 10.561 -8.555 1.00 0.00 H new ATOM 972 N ILE A 63 -1.581 11.036 -9.258 1.00 0.00 N ATOM 973 CA ILE A 63 -0.231 11.494 -8.979 1.00 0.00 C ATOM 974 C ILE A 63 -0.080 11.738 -7.476 1.00 0.00 C ATOM 975 O ILE A 63 0.748 11.106 -6.821 1.00 0.00 O ATOM 976 CB ILE A 63 0.109 12.714 -9.837 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.595 12.291 -11.225 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.119 13.619 -9.128 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.468 12.576 -12.288 1.00 0.00 C ATOM 0 H ILE A 63 -1.996 11.422 -10.106 1.00 0.00 H new ATOM 0 HA ILE A 63 0.495 10.728 -9.253 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.802 13.296 -9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.513 12.825 -11.471 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.835 11.228 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.343 14.479 -9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.699 13.963 -8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.035 13.061 -8.936 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.098 12.266 -13.265 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.376 12.022 -12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.688 13.643 -12.305 1.00 0.00 H new ATOM 991 N ALA A 64 -0.892 12.656 -6.973 1.00 0.00 N ATOM 992 CA ALA A 64 -0.860 12.991 -5.560 1.00 0.00 C ATOM 993 C ALA A 64 -0.817 11.702 -4.735 1.00 0.00 C ATOM 994 O ALA A 64 -0.029 11.587 -3.798 1.00 0.00 O ATOM 995 CB ALA A 64 -2.067 13.864 -5.214 1.00 0.00 C ATOM 0 H ALA A 64 -1.577 13.179 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 64 0.036 13.565 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.042 14.115 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.035 14.780 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.985 13.320 -5.437 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.675 10.767 -5.115 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.745 9.491 -4.422 1.00 0.00 C ATOM 1003 C LYS A 65 -0.427 8.738 -4.614 1.00 0.00 C ATOM 1004 O LYS A 65 0.270 8.442 -3.645 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.975 8.702 -4.875 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.264 9.456 -4.540 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.480 8.532 -4.634 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.490 8.841 -3.526 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.862 8.902 -4.078 1.00 0.00 N ATOM 0 H LYS A 65 -2.327 10.867 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.871 9.646 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.922 8.524 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.984 7.726 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.196 9.872 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.387 10.295 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.956 8.649 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.159 7.493 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.436 8.075 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.240 9.790 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.535 9.112 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.913 9.649 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.104 7.987 -4.510 1.00 0.00 H new ATOM 1023 N LEU A 66 -0.125 8.450 -5.872 1.00 0.00 N ATOM 1024 CA LEU A 66 1.097 7.737 -6.203 1.00 0.00 C ATOM 1025 C LEU A 66 2.238 8.253 -5.323 1.00 0.00 C ATOM 1026 O LEU A 66 2.945 7.467 -4.695 1.00 0.00 O ATOM 1027 CB LEU A 66 1.384 7.835 -7.703 1.00 0.00 C ATOM 1028 CG LEU A 66 0.452 7.039 -8.618 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.659 7.428 -10.083 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.619 5.535 -8.395 1.00 0.00 C ATOM 0 H LEU A 66 -0.705 8.697 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 66 0.987 6.673 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.337 8.884 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.406 7.501 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.577 7.290 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.016 6.848 -10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.450 8.490 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.690 7.224 -10.372 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.055 4.992 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.648 5.248 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.383 5.292 -7.359 1.00 0.00 H new ATOM 1042 N ARG A 67 2.380 9.570 -5.307 1.00 0.00 N ATOM 1043 CA ARG A 67 3.423 10.199 -4.514 1.00 0.00 C ATOM 1044 C ARG A 67 3.298 9.784 -3.047 1.00 0.00 C ATOM 1045 O ARG A 67 4.245 9.260 -2.463 1.00 0.00 O ATOM 1046 CB ARG A 67 3.346 11.724 -4.614 1.00 0.00 C ATOM 1047 CG ARG A 67 3.641 12.195 -6.040 1.00 0.00 C ATOM 1048 CD ARG A 67 3.760 13.720 -6.100 1.00 0.00 C ATOM 1049 NE ARG A 67 4.335 14.132 -7.400 1.00 0.00 N ATOM 1050 CZ ARG A 67 5.643 14.096 -7.688 1.00 0.00 C ATOM 1051 NH1 ARG A 67 6.520 13.668 -6.769 1.00 0.00 N ATOM 1052 NH2 ARG A 67 6.074 14.490 -8.894 1.00 0.00 N ATOM 0 H ARG A 67 1.791 10.218 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 67 4.384 9.868 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.354 12.062 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.059 12.174 -3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.567 11.740 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.847 11.862 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.779 14.175 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.390 14.076 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 67 3.695 14.464 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.192 13.370 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.516 13.641 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.406 14.817 -9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.070 14.463 -9.114 1.00 0.00 H new ATOM 1066 N LYS A 68 2.121 10.036 -2.492 1.00 0.00 N ATOM 1067 CA LYS A 68 1.860 9.695 -1.104 1.00 0.00 C ATOM 1068 C LYS A 68 2.503 8.343 -0.786 1.00 0.00 C ATOM 1069 O LYS A 68 3.358 8.251 0.094 1.00 0.00 O ATOM 1070 CB LYS A 68 0.359 9.745 -0.813 1.00 0.00 C ATOM 1071 CG LYS A 68 0.018 10.917 0.110 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.459 12.128 -0.695 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.676 12.780 -0.035 1.00 0.00 C ATOM 1074 NZ LYS A 68 -2.183 13.893 -0.868 1.00 0.00 N ATOM 0 H LYS A 68 1.338 10.472 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 68 2.315 10.430 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.193 9.841 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.043 8.810 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.757 10.616 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.895 11.189 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.348 12.856 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.713 11.818 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.461 12.038 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.406 13.152 0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.009 14.324 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.437 14.609 -0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.460 13.529 -1.802 1.00 0.00 H new ATOM 1088 N ILE A 69 2.066 7.329 -1.518 1.00 0.00 N ATOM 1089 CA ILE A 69 2.589 5.987 -1.325 1.00 0.00 C ATOM 1090 C ILE A 69 4.118 6.032 -1.343 1.00 0.00 C ATOM 1091 O ILE A 69 4.767 5.583 -0.399 1.00 0.00 O ATOM 1092 CB ILE A 69 1.989 5.026 -2.353 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.553 4.652 -1.982 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.876 3.791 -2.531 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.190 4.069 -3.185 1.00 0.00 C ATOM 0 H ILE A 69 1.356 7.410 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 69 2.294 5.599 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 69 1.949 5.536 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.561 3.926 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.026 5.534 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.427 3.124 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.864 4.099 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.970 3.270 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.208 3.812 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.217 4.806 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.325 3.173 -3.532 1.00 0.00 H new ATOM 1107 N LEU A 70 4.649 6.578 -2.427 1.00 0.00 N ATOM 1108 CA LEU A 70 6.090 6.687 -2.581 1.00 0.00 C ATOM 1109 C LEU A 70 6.679 7.378 -1.349 1.00 0.00 C ATOM 1110 O LEU A 70 7.783 7.049 -0.917 1.00 0.00 O ATOM 1111 CB LEU A 70 6.437 7.381 -3.899 1.00 0.00 C ATOM 1112 CG LEU A 70 6.265 6.540 -5.166 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.393 7.405 -6.421 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.243 5.363 -5.179 1.00 0.00 C ATOM 0 H LEU A 70 4.107 6.950 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 70 6.543 5.697 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.817 8.272 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.473 7.717 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 70 5.258 6.123 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.267 6.782 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.626 8.179 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.378 7.871 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.100 4.781 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.265 5.739 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.061 4.729 -4.311 1.00 0.00 H new ATOM 1126 N GLU A 71 5.916 8.322 -0.818 1.00 0.00 N ATOM 1127 CA GLU A 71 6.348 9.061 0.356 1.00 0.00 C ATOM 1128 C GLU A 71 6.251 8.181 1.604 1.00 0.00 C ATOM 1129 O GLU A 71 6.973 8.395 2.576 1.00 0.00 O ATOM 1130 CB GLU A 71 5.533 10.345 0.526 1.00 0.00 C ATOM 1131 CG GLU A 71 5.595 11.205 -0.738 1.00 0.00 C ATOM 1132 CD GLU A 71 5.789 12.681 -0.388 1.00 0.00 C ATOM 1133 OE1 GLU A 71 4.757 13.355 -0.176 1.00 0.00 O ATOM 1134 OE2 GLU A 71 6.964 13.103 -0.341 1.00 0.00 O ATOM 0 H GLU A 71 5.001 8.592 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 71 7.391 9.347 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.496 10.095 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.914 10.912 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.415 10.867 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.676 11.081 -1.312 1.00 0.00 H new ATOM 1141 N ALA A 72 5.353 7.209 1.535 1.00 0.00 N ATOM 1142 CA ALA A 72 5.152 6.296 2.647 1.00 0.00 C ATOM 1143 C ALA A 72 5.758 4.935 2.299 1.00 0.00 C ATOM 1144 O ALA A 72 5.306 3.905 2.797 1.00 0.00 O ATOM 1145 CB ALA A 72 3.659 6.204 2.969 1.00 0.00 C ATOM 0 H ALA A 72 4.757 7.034 0.726 1.00 0.00 H new ATOM 0 HA ALA A 72 5.656 6.663 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.508 5.519 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.283 7.191 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.120 5.836 2.096 1.00 0.00 H new ATOM 1151 N SER A 73 6.771 4.974 1.446 1.00 0.00 N ATOM 1152 CA SER A 73 7.443 3.757 1.026 1.00 0.00 C ATOM 1153 C SER A 73 8.035 3.039 2.241 1.00 0.00 C ATOM 1154 O SER A 73 7.585 1.953 2.604 1.00 0.00 O ATOM 1155 CB SER A 73 8.540 4.058 0.002 1.00 0.00 C ATOM 1156 OG SER A 73 9.820 3.617 0.445 1.00 0.00 O ATOM 0 H SER A 73 7.143 5.830 1.034 1.00 0.00 H new ATOM 0 HA SER A 73 6.707 3.108 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.297 3.573 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.573 5.131 -0.190 1.00 0.00 H new ATOM 0 HG SER A 73 10.492 3.826 -0.237 1.00 0.00 H new ATOM 1162 N ASN A 74 9.034 3.674 2.835 1.00 0.00 N ATOM 1163 CA ASN A 74 9.691 3.110 4.001 1.00 0.00 C ATOM 1164 C ASN A 74 8.633 2.592 4.977 1.00 0.00 C ATOM 1165 O ASN A 74 8.836 1.574 5.636 1.00 0.00 O ATOM 1166 CB ASN A 74 10.527 4.166 4.727 1.00 0.00 C ATOM 1167 CG ASN A 74 11.800 4.492 3.943 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.734 3.709 3.872 1.00 0.00 O ATOM 1169 ND2 ASN A 74 11.786 5.687 3.361 1.00 0.00 N ATOM 0 H ASN A 74 9.405 4.574 2.530 1.00 0.00 H new ATOM 0 HA ASN A 74 10.342 2.304 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.937 5.072 4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.790 3.806 5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.589 5.998 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.972 6.293 3.461 1.00 0.00 H new ATOM 1176 N SER A 75 7.525 3.317 5.038 1.00 0.00 N ATOM 1177 CA SER A 75 6.434 2.943 5.923 1.00 0.00 C ATOM 1178 C SER A 75 5.711 1.714 5.371 1.00 0.00 C ATOM 1179 O SER A 75 5.447 0.763 6.105 1.00 0.00 O ATOM 1180 CB SER A 75 5.451 4.101 6.104 1.00 0.00 C ATOM 1181 OG SER A 75 6.045 5.205 6.782 1.00 0.00 O ATOM 0 H SER A 75 7.359 4.161 4.489 1.00 0.00 H new ATOM 0 HA SER A 75 6.853 2.701 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.091 4.426 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.583 3.755 6.665 1.00 0.00 H new ATOM 0 HG SER A 75 5.386 5.924 6.876 1.00 0.00 H new ATOM 1187 N ILE A 76 5.410 1.773 4.081 1.00 0.00 N ATOM 1188 CA ILE A 76 4.722 0.676 3.422 1.00 0.00 C ATOM 1189 C ILE A 76 5.421 -0.640 3.768 1.00 0.00 C ATOM 1190 O ILE A 76 6.607 -0.650 4.095 1.00 0.00 O ATOM 1191 CB ILE A 76 4.613 0.938 1.919 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.427 1.852 1.606 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.546 -0.376 1.137 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.366 2.180 0.113 1.00 0.00 C ATOM 0 H ILE A 76 5.630 2.564 3.475 1.00 0.00 H new ATOM 0 HA ILE A 76 3.697 0.597 3.783 1.00 0.00 H new ATOM 0 HB ILE A 76 5.515 1.459 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.500 1.369 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.512 2.774 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.469 -0.162 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.448 -0.958 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.673 -0.945 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.514 2.831 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.284 2.685 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.256 1.258 -0.458 1.00 0.00 H new ATOM 1206 N GLN A 77 4.657 -1.719 3.685 1.00 0.00 N ATOM 1207 CA GLN A 77 5.188 -3.038 3.985 1.00 0.00 C ATOM 1208 C GLN A 77 4.181 -4.119 3.589 1.00 0.00 C ATOM 1209 O GLN A 77 3.002 -4.028 3.927 1.00 0.00 O ATOM 1210 CB GLN A 77 5.564 -3.154 5.463 1.00 0.00 C ATOM 1211 CG GLN A 77 6.597 -4.262 5.681 1.00 0.00 C ATOM 1212 CD GLN A 77 7.282 -4.113 7.041 1.00 0.00 C ATOM 1213 OE1 GLN A 77 8.385 -3.605 7.157 1.00 0.00 O ATOM 1214 NE2 GLN A 77 6.569 -4.584 8.060 1.00 0.00 N ATOM 0 H GLN A 77 3.674 -1.707 3.414 1.00 0.00 H new ATOM 0 HA GLN A 77 6.096 -3.184 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.965 -2.204 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.672 -3.362 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.110 -5.235 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.344 -4.229 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.652 -4.997 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.940 -4.532 9.009 1.00 0.00 H new ATOM 1223 N PHE A 78 4.682 -5.118 2.878 1.00 0.00 N ATOM 1224 CA PHE A 78 3.841 -6.216 2.432 1.00 0.00 C ATOM 1225 C PHE A 78 3.847 -7.359 3.448 1.00 0.00 C ATOM 1226 O PHE A 78 4.776 -8.166 3.475 1.00 0.00 O ATOM 1227 CB PHE A 78 4.426 -6.720 1.111 1.00 0.00 C ATOM 1228 CG PHE A 78 4.020 -5.887 -0.107 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.256 -4.548 -0.125 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.423 -6.487 -1.172 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.880 -3.776 -1.255 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.047 -5.714 -2.303 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.283 -4.375 -2.320 1.00 0.00 C ATOM 0 H PHE A 78 5.661 -5.190 2.599 1.00 0.00 H new ATOM 0 HA PHE A 78 2.813 -5.874 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.513 -6.728 1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.109 -7.751 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.730 -4.072 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.235 -7.550 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.068 -2.713 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.574 -6.190 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.996 -3.787 -3.179 1.00 0.00 H new ATOM 1243 N VAL A 79 2.800 -7.393 4.260 1.00 0.00 N ATOM 1244 CA VAL A 79 2.674 -8.425 5.275 1.00 0.00 C ATOM 1245 C VAL A 79 2.000 -9.655 4.664 1.00 0.00 C ATOM 1246 O VAL A 79 0.967 -9.540 4.008 1.00 0.00 O ATOM 1247 CB VAL A 79 1.924 -7.874 6.490 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.635 -8.982 7.504 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.699 -6.725 7.138 1.00 0.00 C ATOM 0 H VAL A 79 2.032 -6.723 4.235 1.00 0.00 H new ATOM 0 HA VAL A 79 3.657 -8.735 5.629 1.00 0.00 H new ATOM 0 HB VAL A 79 0.969 -7.480 6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.101 -8.564 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.023 -9.753 7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.574 -9.420 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.144 -6.352 7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.676 -7.083 7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.830 -5.921 6.414 1.00 0.00 H new ATOM 1259 N ILE A 80 2.614 -10.805 4.903 1.00 0.00 N ATOM 1260 CA ILE A 80 2.087 -12.056 4.385 1.00 0.00 C ATOM 1261 C ILE A 80 1.521 -12.884 5.540 1.00 0.00 C ATOM 1262 O ILE A 80 2.183 -13.065 6.561 1.00 0.00 O ATOM 1263 CB ILE A 80 3.152 -12.789 3.567 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.952 -11.810 2.705 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.529 -13.910 2.733 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.073 -11.199 1.612 1.00 0.00 C ATOM 0 H ILE A 80 3.471 -10.896 5.448 1.00 0.00 H new ATOM 0 HA ILE A 80 1.264 -11.866 3.696 1.00 0.00 H new ATOM 0 HB ILE A 80 3.853 -13.255 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.362 -11.018 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.797 -12.327 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.308 -14.414 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.042 -14.627 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.793 -13.488 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.665 -10.507 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.684 -11.991 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.242 -10.663 2.071 1.00 0.00 H new ATOM 1278 N LYS A 81 0.302 -13.365 5.341 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.360 -14.169 6.354 1.00 0.00 C ATOM 1280 C LYS A 81 -0.541 -15.594 5.828 1.00 0.00 C ATOM 1281 O LYS A 81 -0.448 -16.557 6.589 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.666 -13.505 6.796 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.450 -12.023 7.106 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.345 -11.788 8.614 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.655 -11.229 9.174 1.00 0.00 C ATOM 1286 NZ LYS A 81 -3.059 -11.973 10.388 1.00 0.00 N ATOM 0 H LYS A 81 -0.244 -13.213 4.493 1.00 0.00 H new ATOM 0 HA LYS A 81 0.255 -14.235 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.415 -13.611 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.055 -14.012 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.541 -11.674 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.276 -11.439 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.101 -12.725 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.531 -11.094 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.534 -10.172 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.439 -11.299 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.950 -11.581 10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.194 -12.977 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.318 -11.885 11.112 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.797 -15.685 4.532 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.993 -16.977 3.896 1.00 0.00 C ATOM 1302 C ARG A 82 -0.425 -16.960 2.475 1.00 0.00 C ATOM 1303 O ARG A 82 -1.105 -16.548 1.536 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.477 -17.344 3.841 1.00 0.00 C ATOM 1305 CG ARG A 82 -3.059 -17.489 5.248 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.545 -17.848 5.193 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.810 -19.033 6.040 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.969 -19.706 6.048 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.976 -19.315 5.255 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -6.121 -20.770 6.849 1.00 0.00 N ATOM 0 H ARG A 82 -0.873 -14.885 3.904 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.468 -17.724 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.025 -16.576 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.604 -18.278 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.515 -18.261 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.927 -16.557 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.145 -17.004 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.841 -18.053 4.164 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.064 -19.357 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.860 -18.505 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.858 -19.827 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.355 -21.068 7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.003 -21.282 6.855 1.00 0.00 H new ATOM 1324 N PRO A 83 0.847 -17.426 2.359 1.00 0.00 N ATOM 1325 CA PRO A 83 1.514 -17.468 1.068 1.00 0.00 C ATOM 1326 C PRO A 83 0.978 -18.618 0.212 1.00 0.00 C ATOM 1327 O PRO A 83 1.196 -18.649 -0.998 1.00 0.00 O ATOM 1328 CB PRO A 83 2.992 -17.608 1.393 1.00 0.00 C ATOM 1329 CG PRO A 83 3.058 -18.105 2.828 1.00 0.00 C ATOM 1330 CD PRO A 83 1.682 -17.922 3.449 1.00 0.00 C ATOM 0 HA PRO A 83 1.334 -16.573 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.476 -18.310 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.508 -16.654 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.353 -19.154 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.808 -17.549 3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.298 -18.862 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.712 -17.215 4.278 1.00 0.00 H new ATOM 1338 N GLU A 84 0.288 -19.535 0.875 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.280 -20.683 0.190 1.00 0.00 C ATOM 1340 C GLU A 84 -1.252 -20.224 -0.900 1.00 0.00 C ATOM 1341 O GLU A 84 -1.474 -20.936 -1.878 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.970 -21.625 1.178 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.242 -20.990 1.744 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.044 -22.004 2.563 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.671 -22.204 3.739 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.010 -22.556 1.995 1.00 0.00 O ATOM 0 H GLU A 84 0.110 -19.506 1.879 1.00 0.00 H new ATOM 0 HA GLU A 84 0.531 -21.237 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.218 -22.562 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.287 -21.868 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.979 -20.138 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.856 -20.609 0.928 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.804 -19.038 -0.694 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.747 -18.476 -1.646 1.00 0.00 C ATOM 1355 C LEU A 85 -2.017 -18.158 -2.952 1.00 0.00 C ATOM 1356 O LEU A 85 -2.456 -18.562 -4.028 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.470 -17.273 -1.038 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.205 -17.528 0.280 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.822 -16.237 0.823 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.245 -18.639 0.122 1.00 0.00 C ATOM 0 H LEU A 85 -1.616 -18.450 0.118 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.526 -19.200 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.741 -16.479 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.190 -16.901 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.478 -17.871 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.338 -16.446 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.035 -15.503 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.533 -15.840 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.753 -18.800 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.975 -18.350 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.750 -19.560 -0.185 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.914 -17.436 -2.816 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.119 -17.060 -3.973 1.00 0.00 C ATOM 1374 C LEU A 86 -0.067 -18.232 -4.954 1.00 0.00 C ATOM 1375 O LEU A 86 -0.766 -18.230 -5.966 1.00 0.00 O ATOM 1376 CB LEU A 86 1.261 -16.562 -3.535 1.00 0.00 C ATOM 1377 CG LEU A 86 1.270 -15.447 -2.487 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.699 -14.993 -2.183 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.379 -14.281 -2.919 1.00 0.00 C ATOM 0 H LEU A 86 -0.552 -17.102 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.582 -16.225 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.823 -17.409 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.795 -16.209 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 86 0.854 -15.845 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.678 -14.200 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.275 -15.836 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.164 -14.619 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.403 -13.502 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.743 -13.876 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.645 -14.633 -3.046 1.00 0.00 H new