USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 546 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 30 HIS : no HD1:sc= -0.334 X(o=-15,f=-14) USER MOD Set 1.2: B 26 HIS : no HE2:sc= -14.2! C(o=-15!,f=-21!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14.2! C(o=-15!,f=-21!) USER MOD Set 2.2: B 30 HIS : no HD1:sc= -0.341 X(o=-15,f=-14) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00275) USER MOD Single : A 9 LYS NZ :NH3+ -175:sc=-0.00434 (180deg=-0.0431) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -176:sc= -0.0077 (180deg=-0.0351) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 28.445 -3.307 -8.587 1.00 0.00 N ATOM 42 CA GLU A 4 29.028 -2.181 -9.371 1.00 0.00 C ATOM 43 C GLU A 4 28.265 -0.884 -9.083 1.00 0.00 C ATOM 44 O GLU A 4 28.779 0.202 -9.261 1.00 0.00 O ATOM 45 CB GLU A 4 28.861 -2.588 -10.835 1.00 0.00 C ATOM 46 CG GLU A 4 30.237 -2.667 -11.501 1.00 0.00 C ATOM 47 CD GLU A 4 30.129 -3.467 -12.801 1.00 0.00 C ATOM 48 OE1 GLU A 4 29.543 -2.957 -13.741 1.00 0.00 O ATOM 49 OE2 GLU A 4 30.636 -4.577 -12.833 1.00 0.00 O ATOM 0 HA GLU A 4 30.072 -1.998 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.357 -3.552 -10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 4 28.234 -1.865 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 4 30.611 -1.664 -11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 4 30.952 -3.141 -10.828 1.00 0.00 H new ATOM 56 N GLU A 5 27.042 -0.989 -8.640 1.00 0.00 N ATOM 57 CA GLU A 5 26.249 0.239 -8.342 1.00 0.00 C ATOM 58 C GLU A 5 26.748 0.891 -7.049 1.00 0.00 C ATOM 59 O GLU A 5 27.037 2.071 -7.010 1.00 0.00 O ATOM 60 CB GLU A 5 24.809 -0.247 -8.174 1.00 0.00 C ATOM 61 CG GLU A 5 24.128 -0.309 -9.543 1.00 0.00 C ATOM 62 CD GLU A 5 22.619 -0.127 -9.370 1.00 0.00 C ATOM 63 OE1 GLU A 5 22.091 -0.624 -8.389 1.00 0.00 O ATOM 64 OE2 GLU A 5 22.017 0.506 -10.222 1.00 0.00 O ATOM 0 H GLU A 5 26.557 -1.871 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 5 26.337 0.987 -9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 5 24.798 -1.231 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 5 24.262 0.426 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.527 0.468 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.337 -1.265 -10.022 1.00 0.00 H new ATOM 71 N LEU A 6 26.849 0.134 -5.991 1.00 0.00 N ATOM 72 CA LEU A 6 27.328 0.717 -4.705 1.00 0.00 C ATOM 73 C LEU A 6 28.788 1.181 -4.862 1.00 0.00 C ATOM 74 O LEU A 6 29.246 2.068 -4.169 1.00 0.00 O ATOM 75 CB LEU A 6 27.137 -0.422 -3.667 1.00 0.00 C ATOM 76 CG LEU A 6 28.467 -0.913 -3.070 1.00 0.00 C ATOM 77 CD1 LEU A 6 29.026 0.150 -2.125 1.00 0.00 C ATOM 78 CD2 LEU A 6 28.223 -2.206 -2.286 1.00 0.00 C ATOM 0 H LEU A 6 26.621 -0.860 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 6 26.784 1.606 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 6 26.491 -0.070 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 6 26.626 -1.259 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 6 29.180 -1.098 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 6 29.968 -0.198 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 6 29.196 1.075 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 6 28.313 0.333 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 6 29.164 -2.557 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.511 -2.016 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.821 -2.967 -2.955 1.00 0.00 H new ATOM 90 N GLU A 7 29.509 0.598 -5.782 1.00 0.00 N ATOM 91 CA GLU A 7 30.928 1.011 -5.998 1.00 0.00 C ATOM 92 C GLU A 7 30.977 2.415 -6.602 1.00 0.00 C ATOM 93 O GLU A 7 31.658 3.298 -6.108 1.00 0.00 O ATOM 94 CB GLU A 7 31.487 -0.008 -6.990 1.00 0.00 C ATOM 95 CG GLU A 7 33.016 0.052 -6.977 1.00 0.00 C ATOM 96 CD GLU A 7 33.503 0.896 -8.156 1.00 0.00 C ATOM 97 OE1 GLU A 7 33.394 2.108 -8.077 1.00 0.00 O ATOM 98 OE2 GLU A 7 33.975 0.315 -9.120 1.00 0.00 O ATOM 0 H GLU A 7 29.177 -0.147 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 7 31.498 1.037 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 7 31.150 -1.010 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 7 31.113 0.201 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 7 33.366 0.483 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 7 33.431 -0.954 -7.040 1.00 0.00 H new ATOM 105 N LYS A 8 30.258 2.625 -7.670 1.00 0.00 N ATOM 106 CA LYS A 8 30.255 3.970 -8.310 1.00 0.00 C ATOM 107 C LYS A 8 29.771 5.013 -7.312 1.00 0.00 C ATOM 108 O LYS A 8 30.387 6.038 -7.129 1.00 0.00 O ATOM 109 CB LYS A 8 29.289 3.855 -9.489 1.00 0.00 C ATOM 110 CG LYS A 8 29.830 4.659 -10.672 1.00 0.00 C ATOM 111 CD LYS A 8 30.066 3.724 -11.859 1.00 0.00 C ATOM 112 CE LYS A 8 28.963 3.933 -12.898 1.00 0.00 C ATOM 113 NZ LYS A 8 27.825 3.098 -12.419 1.00 0.00 N ATOM 0 H LYS A 8 29.673 1.925 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 8 31.248 4.277 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 8 29.166 2.809 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.304 4.226 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 8 29.123 5.442 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 8 30.761 5.153 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 8 31.041 3.922 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 30.073 2.687 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 8 28.680 4.983 -12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 8 29.291 3.623 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.033 3.174 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 28.127 2.105 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.520 3.431 -11.482 1.00 0.00 H new ATOM 127 N LYS A 9 28.682 4.751 -6.650 1.00 0.00 N ATOM 128 CA LYS A 9 28.178 5.723 -5.643 1.00 0.00 C ATOM 129 C LYS A 9 29.247 5.925 -4.568 1.00 0.00 C ATOM 130 O LYS A 9 29.297 6.940 -3.903 1.00 0.00 O ATOM 131 CB LYS A 9 26.933 5.063 -5.053 1.00 0.00 C ATOM 132 CG LYS A 9 25.801 5.096 -6.082 1.00 0.00 C ATOM 133 CD LYS A 9 24.743 6.110 -5.645 1.00 0.00 C ATOM 134 CE LYS A 9 25.126 7.499 -6.159 1.00 0.00 C ATOM 135 NZ LYS A 9 25.732 8.187 -4.984 1.00 0.00 N ATOM 0 H LYS A 9 28.119 3.908 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 9 27.949 6.701 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.153 4.033 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.628 5.583 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.194 5.365 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.354 4.107 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 9 23.766 5.823 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.662 6.122 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.832 7.433 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.253 8.039 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.944 9.175 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.065 8.165 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.611 7.702 -4.713 1.00 0.00 H new ATOM 149 N PHE A 10 30.100 4.953 -4.400 1.00 0.00 N ATOM 150 CA PHE A 10 31.180 5.052 -3.379 1.00 0.00 C ATOM 151 C PHE A 10 32.153 6.190 -3.713 1.00 0.00 C ATOM 152 O PHE A 10 32.253 7.169 -2.994 1.00 0.00 O ATOM 153 CB PHE A 10 31.896 3.701 -3.459 1.00 0.00 C ATOM 154 CG PHE A 10 32.481 3.344 -2.118 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.634 2.935 -1.065 1.00 0.00 C ATOM 156 CD2 PHE A 10 33.878 3.406 -1.923 1.00 0.00 C ATOM 157 CE1 PHE A 10 32.186 2.586 0.186 1.00 0.00 C ATOM 158 CE2 PHE A 10 34.430 3.060 -0.671 1.00 0.00 C ATOM 159 CZ PHE A 10 33.583 2.649 0.382 1.00 0.00 C ATOM 0 H PHE A 10 30.094 4.084 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 10 30.788 5.267 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 10 31.196 2.928 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 10 32.686 3.743 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.566 2.889 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 10 34.523 3.718 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.541 2.271 0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 10 35.498 3.109 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.005 2.382 1.340 1.00 0.00 H new ATOM 169 N LYS A 11 32.880 6.068 -4.790 1.00 0.00 N ATOM 170 CA LYS A 11 33.857 7.140 -5.147 1.00 0.00 C ATOM 171 C LYS A 11 33.128 8.426 -5.538 1.00 0.00 C ATOM 172 O LYS A 11 33.680 9.509 -5.484 1.00 0.00 O ATOM 173 CB LYS A 11 34.636 6.581 -6.333 1.00 0.00 C ATOM 174 CG LYS A 11 35.711 7.584 -6.756 1.00 0.00 C ATOM 175 CD LYS A 11 36.978 7.349 -5.929 1.00 0.00 C ATOM 176 CE LYS A 11 37.539 8.694 -5.463 1.00 0.00 C ATOM 177 NZ LYS A 11 38.649 8.341 -4.533 1.00 0.00 N ATOM 0 H LYS A 11 32.842 5.279 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 11 34.509 7.396 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 11 35.096 5.630 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 11 33.960 6.384 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.930 7.473 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 11 35.352 8.603 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.752 6.719 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 11 37.721 6.820 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.901 9.285 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 11 36.776 9.288 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.087 9.211 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 38.273 7.784 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 39.363 7.781 -5.041 1.00 0.00 H new ATOM 191 N GLU A 12 31.892 8.316 -5.924 1.00 0.00 N ATOM 192 CA GLU A 12 31.123 9.527 -6.314 1.00 0.00 C ATOM 193 C GLU A 12 30.665 10.269 -5.063 1.00 0.00 C ATOM 194 O GLU A 12 30.453 11.465 -5.080 1.00 0.00 O ATOM 195 CB GLU A 12 29.921 9.000 -7.098 1.00 0.00 C ATOM 196 CG GLU A 12 30.298 8.856 -8.574 1.00 0.00 C ATOM 197 CD GLU A 12 29.319 9.663 -9.430 1.00 0.00 C ATOM 198 OE1 GLU A 12 29.562 10.843 -9.619 1.00 0.00 O ATOM 199 OE2 GLU A 12 28.343 9.086 -9.881 1.00 0.00 O ATOM 0 H GLU A 12 31.378 7.437 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 12 31.714 10.226 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.605 8.037 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.077 9.682 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 12 31.316 9.209 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 12 30.274 7.806 -8.866 1.00 0.00 H new ATOM 206 N LEU A 13 30.520 9.571 -3.971 1.00 0.00 N ATOM 207 CA LEU A 13 30.086 10.247 -2.722 1.00 0.00 C ATOM 208 C LEU A 13 31.282 10.955 -2.083 1.00 0.00 C ATOM 209 O LEU A 13 31.155 12.027 -1.527 1.00 0.00 O ATOM 210 CB LEU A 13 29.553 9.131 -1.826 1.00 0.00 C ATOM 211 CG LEU A 13 28.024 9.148 -1.874 1.00 0.00 C ATOM 212 CD1 LEU A 13 27.475 7.872 -1.236 1.00 0.00 C ATOM 213 CD2 LEU A 13 27.505 10.365 -1.107 1.00 0.00 C ATOM 0 H LEU A 13 30.683 8.567 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 13 29.324 11.007 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 13 29.930 8.165 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 13 29.900 9.271 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 13 27.695 9.203 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 13 26.386 7.887 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 13 27.844 7.004 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 13 27.803 7.814 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 13 26.416 10.379 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 27.836 10.310 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 13 27.893 11.275 -1.563 1.00 0.00 H new ATOM 225 N TRP A 14 32.449 10.374 -2.176 1.00 0.00 N ATOM 226 CA TRP A 14 33.651 11.036 -1.591 1.00 0.00 C ATOM 227 C TRP A 14 33.946 12.324 -2.353 1.00 0.00 C ATOM 228 O TRP A 14 34.156 13.373 -1.776 1.00 0.00 O ATOM 229 CB TRP A 14 34.797 10.047 -1.789 1.00 0.00 C ATOM 230 CG TRP A 14 35.203 9.491 -0.468 1.00 0.00 C ATOM 231 CD1 TRP A 14 35.960 10.133 0.457 1.00 0.00 C ATOM 232 CD2 TRP A 14 34.880 8.196 0.095 1.00 0.00 C ATOM 233 NE1 TRP A 14 36.125 9.308 1.550 1.00 0.00 N ATOM 234 CE2 TRP A 14 35.480 8.105 1.380 1.00 0.00 C ATOM 235 CE3 TRP A 14 34.130 7.090 -0.377 1.00 0.00 C ATOM 236 CZ2 TRP A 14 35.341 6.963 2.170 1.00 0.00 C ATOM 237 CZ3 TRP A 14 33.984 5.933 0.419 1.00 0.00 C ATOM 238 CH2 TRP A 14 34.589 5.869 1.692 1.00 0.00 C ATOM 0 H TRP A 14 32.621 9.476 -2.628 1.00 0.00 H new ATOM 0 HA TRP A 14 33.509 11.290 -0.541 1.00 0.00 H new ATOM 0 HB2 TRP A 14 34.487 9.242 -2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 14 35.644 10.544 -2.263 1.00 0.00 H new ATOM 0 HD1 TRP A 14 36.367 11.128 0.354 1.00 0.00 H new ATOM 0 HE1 TRP A 14 36.659 9.559 2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 14 33.667 7.132 -1.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 35.807 6.917 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 33.408 5.096 0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 14 34.477 4.983 2.300 1.00 0.00 H new ATOM 249 N LYS A 15 33.967 12.244 -3.653 1.00 0.00 N ATOM 250 CA LYS A 15 34.251 13.450 -4.473 1.00 0.00 C ATOM 251 C LYS A 15 32.941 14.028 -5.015 1.00 0.00 C ATOM 252 O LYS A 15 32.512 13.713 -6.108 1.00 0.00 O ATOM 253 CB LYS A 15 35.142 12.931 -5.601 1.00 0.00 C ATOM 254 CG LYS A 15 35.357 14.031 -6.645 1.00 0.00 C ATOM 255 CD LYS A 15 36.283 15.105 -6.071 1.00 0.00 C ATOM 256 CE LYS A 15 37.690 14.925 -6.644 1.00 0.00 C ATOM 257 NZ LYS A 15 38.378 16.221 -6.386 1.00 0.00 N ATOM 0 H LYS A 15 33.799 11.390 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 15 34.732 14.252 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 15 36.102 12.608 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 15 34.682 12.060 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 15 35.791 13.608 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 15 34.401 14.472 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 15 35.903 16.097 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 15 36.310 15.034 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 15 38.211 14.098 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 15 37.657 14.701 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 39.351 16.176 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 37.864 16.988 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 38.401 16.404 -5.363 1.00 0.00 H new ATOM 271 N GLY A 16 32.298 14.865 -4.248 1.00 0.00 N ATOM 272 CA GLY A 16 31.010 15.463 -4.698 1.00 0.00 C ATOM 273 C GLY A 16 30.216 15.912 -3.467 1.00 0.00 C ATOM 274 O GLY A 16 30.345 17.035 -3.022 1.00 0.00 O ATOM 0 H GLY A 16 32.612 15.162 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 16 31.198 16.312 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 16 30.436 14.735 -5.272 1.00 0.00 H new ATOM 278 N PRO A 17 29.422 15.009 -2.950 1.00 0.00 N ATOM 279 CA PRO A 17 28.606 15.310 -1.752 1.00 0.00 C ATOM 280 C PRO A 17 29.484 15.249 -0.498 1.00 0.00 C ATOM 281 O PRO A 17 30.694 15.330 -0.577 1.00 0.00 O ATOM 282 CB PRO A 17 27.562 14.197 -1.743 1.00 0.00 C ATOM 283 CG PRO A 17 28.190 13.059 -2.487 1.00 0.00 C ATOM 284 CD PRO A 17 29.212 13.639 -3.433 1.00 0.00 C ATOM 0 HA PRO A 17 28.157 16.303 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 17 27.305 13.907 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 17 26.639 14.520 -2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 17 28.662 12.363 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 17 27.434 12.498 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 17 30.139 13.066 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 17 28.851 13.631 -4.461 1.00 0.00 H new ATOM 292 N ARG A 18 28.890 15.105 0.658 1.00 0.00 N ATOM 293 CA ARG A 18 29.698 15.035 1.912 1.00 0.00 C ATOM 294 C ARG A 18 30.854 14.034 1.749 1.00 0.00 C ATOM 295 O ARG A 18 30.914 13.298 0.784 1.00 0.00 O ATOM 296 CB ARG A 18 28.702 14.590 3.005 1.00 0.00 C ATOM 297 CG ARG A 18 28.523 13.061 3.016 1.00 0.00 C ATOM 298 CD ARG A 18 27.877 12.598 1.708 1.00 0.00 C ATOM 299 NE ARG A 18 26.555 13.287 1.662 1.00 0.00 N ATOM 300 CZ ARG A 18 25.648 13.024 2.564 1.00 0.00 C ATOM 301 NH1 ARG A 18 25.270 11.792 2.769 1.00 0.00 N ATOM 302 NH2 ARG A 18 25.120 13.993 3.260 1.00 0.00 N ATOM 0 H ARG A 18 27.881 15.033 0.788 1.00 0.00 H new ATOM 0 HA ARG A 18 30.162 15.988 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 18 29.058 14.923 3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 18 27.738 15.069 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 18 29.490 12.575 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 18 27.902 12.766 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 18 28.491 12.866 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 18 27.758 11.515 1.689 1.00 0.00 H new ATOM 0 HE ARG A 18 26.359 13.964 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.683 11.035 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.562 11.586 3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.416 14.956 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.412 13.788 3.965 1.00 0.00 H new ATOM 316 N ARG A 19 31.766 14.003 2.679 1.00 0.00 N ATOM 317 CA ARG A 19 32.904 13.049 2.561 1.00 0.00 C ATOM 318 C ARG A 19 33.188 12.384 3.911 1.00 0.00 C ATOM 319 O ARG A 19 33.474 11.206 3.984 1.00 0.00 O ATOM 320 CB ARG A 19 34.094 13.901 2.121 1.00 0.00 C ATOM 321 CG ARG A 19 35.233 12.986 1.667 1.00 0.00 C ATOM 322 CD ARG A 19 36.560 13.743 1.751 1.00 0.00 C ATOM 323 NE ARG A 19 36.810 13.913 3.210 1.00 0.00 N ATOM 324 CZ ARG A 19 37.832 14.614 3.618 1.00 0.00 C ATOM 325 NH1 ARG A 19 39.034 14.314 3.207 1.00 0.00 N ATOM 326 NH2 ARG A 19 37.653 15.614 4.437 1.00 0.00 N ATOM 0 H ARG A 19 31.774 14.593 3.511 1.00 0.00 H new ATOM 0 HA ARG A 19 32.694 12.247 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 19 33.800 14.565 1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 19 34.427 14.534 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 19 35.270 12.095 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 19 35.058 12.650 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 19 37.365 13.184 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 19 36.498 14.707 1.245 1.00 0.00 H new ATOM 0 HE ARG A 19 36.183 13.482 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 19 39.174 13.532 2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 19 39.833 14.862 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.714 15.848 4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.452 16.162 4.756 1.00 0.00 H new ATOM 340 N GLY A 20 33.113 13.127 4.981 1.00 0.00 N ATOM 341 CA GLY A 20 33.380 12.529 6.320 1.00 0.00 C ATOM 342 C GLY A 20 32.305 11.486 6.638 1.00 0.00 C ATOM 343 O GLY A 20 32.562 10.494 7.291 1.00 0.00 O ATOM 0 H GLY A 20 32.879 14.120 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.366 12.065 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 20 33.384 13.307 7.083 1.00 0.00 H new ATOM 347 N GLU A 21 31.102 11.703 6.180 1.00 0.00 N ATOM 348 CA GLU A 21 30.011 10.724 6.457 1.00 0.00 C ATOM 349 C GLU A 21 30.202 9.461 5.613 1.00 0.00 C ATOM 350 O GLU A 21 29.907 8.365 6.046 1.00 0.00 O ATOM 351 CB GLU A 21 28.723 11.445 6.061 1.00 0.00 C ATOM 352 CG GLU A 21 27.823 11.592 7.290 1.00 0.00 C ATOM 353 CD GLU A 21 26.374 11.787 6.840 1.00 0.00 C ATOM 354 OE1 GLU A 21 26.176 12.315 5.758 1.00 0.00 O ATOM 355 OE2 GLU A 21 25.486 11.406 7.586 1.00 0.00 O ATOM 0 H GLU A 21 30.827 12.515 5.627 1.00 0.00 H new ATOM 0 HA GLU A 21 29.997 10.407 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.955 12.426 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.205 10.885 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 21 27.903 10.707 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.146 12.442 7.891 1.00 0.00 H new ATOM 362 N ILE A 22 30.693 9.602 4.411 1.00 0.00 N ATOM 363 CA ILE A 22 30.899 8.403 3.548 1.00 0.00 C ATOM 364 C ILE A 22 32.016 7.529 4.119 1.00 0.00 C ATOM 365 O ILE A 22 31.855 6.340 4.293 1.00 0.00 O ATOM 366 CB ILE A 22 31.293 8.953 2.179 1.00 0.00 C ATOM 367 CG1 ILE A 22 30.185 9.868 1.654 1.00 0.00 C ATOM 368 CG2 ILE A 22 31.505 7.789 1.209 1.00 0.00 C ATOM 369 CD1 ILE A 22 28.901 9.060 1.435 1.00 0.00 C ATOM 0 H ILE A 22 30.960 10.492 3.990 1.00 0.00 H new ATOM 0 HA ILE A 22 30.006 7.781 3.490 1.00 0.00 H new ATOM 0 HB ILE A 22 32.216 9.525 2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 22 30.001 10.675 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 22 30.497 10.332 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 22 31.786 8.178 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 22 32.298 7.142 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 22 30.582 7.217 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 22 28.116 9.718 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 29.088 8.269 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 22 28.584 8.617 2.379 1.00 0.00 H new ATOM 381 N GLU A 23 33.145 8.103 4.420 1.00 0.00 N ATOM 382 CA GLU A 23 34.247 7.290 4.988 1.00 0.00 C ATOM 383 C GLU A 23 33.808 6.732 6.342 1.00 0.00 C ATOM 384 O GLU A 23 34.215 5.657 6.746 1.00 0.00 O ATOM 385 CB GLU A 23 35.427 8.259 5.091 1.00 0.00 C ATOM 386 CG GLU A 23 36.654 7.533 5.628 1.00 0.00 C ATOM 387 CD GLU A 23 37.037 8.107 6.993 1.00 0.00 C ATOM 388 OE1 GLU A 23 37.131 9.319 7.099 1.00 0.00 O ATOM 389 OE2 GLU A 23 37.230 7.325 7.909 1.00 0.00 O ATOM 0 H GLU A 23 33.350 9.095 4.297 1.00 0.00 H new ATOM 0 HA GLU A 23 34.522 6.425 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 23 35.646 8.684 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 23 35.169 9.090 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 23 36.448 6.466 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 23 37.486 7.640 4.931 1.00 0.00 H new ATOM 396 N GLU A 24 32.934 7.421 7.022 1.00 0.00 N ATOM 397 CA GLU A 24 32.431 6.886 8.315 1.00 0.00 C ATOM 398 C GLU A 24 31.597 5.642 8.009 1.00 0.00 C ATOM 399 O GLU A 24 31.569 4.685 8.760 1.00 0.00 O ATOM 400 CB GLU A 24 31.562 7.998 8.905 1.00 0.00 C ATOM 401 CG GLU A 24 30.868 7.487 10.169 1.00 0.00 C ATOM 402 CD GLU A 24 29.934 8.571 10.711 1.00 0.00 C ATOM 403 OE1 GLU A 24 30.430 9.624 11.076 1.00 0.00 O ATOM 404 OE2 GLU A 24 28.739 8.330 10.752 1.00 0.00 O ATOM 0 H GLU A 24 32.550 8.323 6.741 1.00 0.00 H new ATOM 0 HA GLU A 24 33.221 6.608 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 24 32.176 8.867 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.820 8.320 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.302 6.583 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 24 31.610 7.221 10.922 1.00 0.00 H new ATOM 411 N LEU A 25 30.938 5.652 6.880 1.00 0.00 N ATOM 412 CA LEU A 25 30.117 4.478 6.469 1.00 0.00 C ATOM 413 C LEU A 25 31.040 3.294 6.195 1.00 0.00 C ATOM 414 O LEU A 25 30.725 2.163 6.501 1.00 0.00 O ATOM 415 CB LEU A 25 29.420 4.909 5.177 1.00 0.00 C ATOM 416 CG LEU A 25 28.453 3.816 4.725 1.00 0.00 C ATOM 417 CD1 LEU A 25 27.181 3.860 5.572 1.00 0.00 C ATOM 418 CD2 LEU A 25 28.093 4.039 3.254 1.00 0.00 C ATOM 0 H LEU A 25 30.934 6.430 6.221 1.00 0.00 H new ATOM 0 HA LEU A 25 29.401 4.178 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 25 28.880 5.842 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 25 30.160 5.098 4.399 1.00 0.00 H new ATOM 0 HG LEU A 25 28.928 2.843 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 25 26.497 3.077 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 27.436 3.702 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 26.701 4.832 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 25 27.403 3.261 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 25 27.621 5.015 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 25 28.998 4.000 2.648 1.00 0.00 H new ATOM 430 N HIS A 26 32.185 3.553 5.620 1.00 0.00 N ATOM 431 CA HIS A 26 33.140 2.450 5.327 1.00 0.00 C ATOM 432 C HIS A 26 33.603 1.812 6.636 1.00 0.00 C ATOM 433 O HIS A 26 33.825 0.624 6.711 1.00 0.00 O ATOM 434 CB HIS A 26 34.308 3.107 4.595 1.00 0.00 C ATOM 435 CG HIS A 26 35.367 2.075 4.328 1.00 0.00 C ATOM 436 ND1 HIS A 26 35.252 1.138 3.315 1.00 0.00 N ATOM 437 CD2 HIS A 26 36.566 1.821 4.939 1.00 0.00 C ATOM 438 CE1 HIS A 26 36.357 0.370 3.348 1.00 0.00 C ATOM 439 NE2 HIS A 26 37.191 0.744 4.321 1.00 0.00 N ATOM 0 H HIS A 26 32.498 4.483 5.341 1.00 0.00 H new ATOM 0 HA HIS A 26 32.693 1.659 4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 26 33.965 3.545 3.657 1.00 0.00 H new ATOM 0 HB3 HIS A 26 34.718 3.919 5.195 1.00 0.00 H new ATOM 0 HD1 HIS A 26 34.473 1.047 2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 26 36.966 2.374 5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 26 36.546 -0.449 2.670 1.00 0.00 H new ATOM 447 N LYS A 27 33.735 2.584 7.678 1.00 0.00 N ATOM 448 CA LYS A 27 34.159 1.985 8.975 1.00 0.00 C ATOM 449 C LYS A 27 33.058 1.036 9.456 1.00 0.00 C ATOM 450 O LYS A 27 33.317 -0.078 9.869 1.00 0.00 O ATOM 451 CB LYS A 27 34.324 3.164 9.933 1.00 0.00 C ATOM 452 CG LYS A 27 35.469 2.874 10.906 1.00 0.00 C ATOM 453 CD LYS A 27 36.807 3.138 10.211 1.00 0.00 C ATOM 454 CE LYS A 27 36.898 4.614 9.822 1.00 0.00 C ATOM 455 NZ LYS A 27 38.350 4.941 9.897 1.00 0.00 N ATOM 0 H LYS A 27 33.570 3.591 7.690 1.00 0.00 H new ATOM 0 HA LYS A 27 35.084 1.413 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 27 34.531 4.076 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.398 3.331 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.376 3.503 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.420 1.839 11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.631 2.874 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.898 2.511 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.506 4.783 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.317 5.238 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 38.495 5.939 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 38.693 4.777 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 38.877 4.336 9.235 1.00 0.00 H new ATOM 469 N LYS A 28 31.825 1.464 9.381 1.00 0.00 N ATOM 470 CA LYS A 28 30.702 0.581 9.808 1.00 0.00 C ATOM 471 C LYS A 28 30.578 -0.597 8.833 1.00 0.00 C ATOM 472 O LYS A 28 30.029 -1.630 9.157 1.00 0.00 O ATOM 473 CB LYS A 28 29.455 1.463 9.752 1.00 0.00 C ATOM 474 CG LYS A 28 29.614 2.632 10.728 1.00 0.00 C ATOM 475 CD LYS A 28 28.368 2.732 11.610 1.00 0.00 C ATOM 476 CE LYS A 28 28.664 3.634 12.811 1.00 0.00 C ATOM 477 NZ LYS A 28 27.333 4.151 13.237 1.00 0.00 N ATOM 0 H LYS A 28 31.548 2.386 9.043 1.00 0.00 H new ATOM 0 HA LYS A 28 30.851 0.164 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 29.307 1.838 8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 28.571 0.879 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 28 30.500 2.486 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 28 29.759 3.562 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.534 3.135 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 28 28.070 1.740 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 28 29.147 3.077 13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 29.336 4.448 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 27.451 4.779 14.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 26.900 4.682 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 26.718 3.354 13.497 1.00 0.00 H new ATOM 491 N PHE A 29 31.102 -0.447 7.644 1.00 0.00 N ATOM 492 CA PHE A 29 31.041 -1.551 6.644 1.00 0.00 C ATOM 493 C PHE A 29 32.016 -2.651 7.049 1.00 0.00 C ATOM 494 O PHE A 29 31.714 -3.827 6.976 1.00 0.00 O ATOM 495 CB PHE A 29 31.468 -0.901 5.323 1.00 0.00 C ATOM 496 CG PHE A 29 30.302 -0.187 4.652 1.00 0.00 C ATOM 497 CD1 PHE A 29 29.020 -0.119 5.264 1.00 0.00 C ATOM 498 CD2 PHE A 29 30.505 0.410 3.389 1.00 0.00 C ATOM 499 CE1 PHE A 29 27.960 0.541 4.609 1.00 0.00 C ATOM 500 CE2 PHE A 29 29.442 1.067 2.737 1.00 0.00 C ATOM 501 CZ PHE A 29 28.169 1.132 3.346 1.00 0.00 C ATOM 0 H PHE A 29 31.572 0.399 7.322 1.00 0.00 H new ATOM 0 HA PHE A 29 30.054 -2.007 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 29 32.273 -0.190 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 29 31.864 -1.663 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 29 28.858 -0.573 6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 29 31.477 0.363 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 29 26.987 0.594 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.601 1.521 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 29 27.356 1.635 2.844 1.00 0.00 H new ATOM 511 N HIS A 30 33.178 -2.271 7.493 1.00 0.00 N ATOM 512 CA HIS A 30 34.184 -3.276 7.924 1.00 0.00 C ATOM 513 C HIS A 30 33.727 -3.944 9.222 1.00 0.00 C ATOM 514 O HIS A 30 34.062 -5.079 9.503 1.00 0.00 O ATOM 515 CB HIS A 30 35.459 -2.463 8.157 1.00 0.00 C ATOM 516 CG HIS A 30 36.651 -3.380 8.143 1.00 0.00 C ATOM 517 ND1 HIS A 30 37.951 -2.903 8.211 1.00 0.00 N ATOM 518 CD2 HIS A 30 36.757 -4.747 8.071 1.00 0.00 C ATOM 519 CE1 HIS A 30 38.775 -3.966 8.179 1.00 0.00 C ATOM 520 NE2 HIS A 30 38.099 -5.115 8.094 1.00 0.00 N ATOM 0 H HIS A 30 33.476 -1.299 7.576 1.00 0.00 H new ATOM 0 HA HIS A 30 34.331 -4.070 7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 30 35.564 -1.702 7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 30 35.400 -1.941 9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 30 35.925 -5.433 8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 30 39.852 -3.899 8.217 1.00 0.00 H new ATOM 0 HE2 HIS A 30 38.484 -6.059 8.054 1.00 0.00 H new ATOM 528 N GLU A 31 32.968 -3.243 10.019 1.00 0.00 N ATOM 529 CA GLU A 31 32.494 -3.827 11.305 1.00 0.00 C ATOM 530 C GLU A 31 31.226 -4.663 11.098 1.00 0.00 C ATOM 531 O GLU A 31 30.928 -5.545 11.880 1.00 0.00 O ATOM 532 CB GLU A 31 32.194 -2.622 12.195 1.00 0.00 C ATOM 533 CG GLU A 31 33.214 -2.563 13.335 1.00 0.00 C ATOM 534 CD GLU A 31 32.835 -1.439 14.302 1.00 0.00 C ATOM 535 OE1 GLU A 31 32.107 -0.552 13.891 1.00 0.00 O ATOM 536 OE2 GLU A 31 33.281 -1.486 15.437 1.00 0.00 O ATOM 0 H GLU A 31 32.655 -2.290 9.835 1.00 0.00 H new ATOM 0 HA GLU A 31 33.236 -4.495 11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.235 -1.704 11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.185 -2.697 12.599 1.00 0.00 H new ATOM 0 HG2 GLU A 31 33.242 -3.517 13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.213 -2.391 12.935 1.00 0.00 H new ATOM 543 N LEU A 32 30.468 -4.397 10.067 1.00 0.00 N ATOM 544 CA LEU A 32 29.224 -5.186 9.852 1.00 0.00 C ATOM 545 C LEU A 32 29.516 -6.446 9.015 1.00 0.00 C ATOM 546 O LEU A 32 28.754 -7.393 9.030 1.00 0.00 O ATOM 547 CB LEU A 32 28.240 -4.211 9.164 1.00 0.00 C ATOM 548 CG LEU A 32 28.332 -4.281 7.634 1.00 0.00 C ATOM 549 CD1 LEU A 32 27.387 -5.368 7.115 1.00 0.00 C ATOM 550 CD2 LEU A 32 27.915 -2.937 7.036 1.00 0.00 C ATOM 0 H LEU A 32 30.655 -3.675 9.372 1.00 0.00 H new ATOM 0 HA LEU A 32 28.796 -5.563 10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 32 27.222 -4.444 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 32 28.450 -3.193 9.493 1.00 0.00 H new ATOM 0 HG LEU A 32 29.357 -4.513 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 27.452 -5.418 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 32 27.671 -6.331 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 26.364 -5.130 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 27.980 -2.986 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 32 26.889 -2.711 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 32 28.578 -2.154 7.404 1.00 0.00 H new ATOM 562 N ILE A 33 30.612 -6.478 8.299 1.00 0.00 N ATOM 563 CA ILE A 33 30.926 -7.699 7.491 1.00 0.00 C ATOM 564 C ILE A 33 32.065 -8.489 8.149 1.00 0.00 C ATOM 565 O ILE A 33 32.250 -9.661 7.890 1.00 0.00 O ATOM 566 CB ILE A 33 31.341 -7.192 6.101 1.00 0.00 C ATOM 567 CG1 ILE A 33 32.698 -6.473 6.190 1.00 0.00 C ATOM 568 CG2 ILE A 33 30.261 -6.240 5.573 1.00 0.00 C ATOM 569 CD1 ILE A 33 33.003 -5.747 4.877 1.00 0.00 C ATOM 0 H ILE A 33 31.295 -5.723 8.238 1.00 0.00 H new ATOM 0 HA ILE A 33 30.070 -8.371 7.423 1.00 0.00 H new ATOM 0 HB ILE A 33 31.443 -8.033 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 33 32.685 -5.759 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 33 33.486 -7.195 6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 30.548 -5.876 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 33 29.312 -6.771 5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 33 30.155 -5.396 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.966 -5.243 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.036 -6.469 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 33 32.224 -5.011 4.678 1.00 0.00 H new ATOM 652 N GLU B 4 23.008 6.928 2.337 1.00 0.00 N ATOM 653 CA GLU B 4 22.041 5.907 2.832 1.00 0.00 C ATOM 654 C GLU B 4 21.708 4.909 1.720 1.00 0.00 C ATOM 655 O GLU B 4 21.294 3.795 1.976 1.00 0.00 O ATOM 656 CB GLU B 4 20.797 6.698 3.233 1.00 0.00 C ATOM 657 CG GLU B 4 20.511 6.477 4.720 1.00 0.00 C ATOM 658 CD GLU B 4 19.561 7.566 5.224 1.00 0.00 C ATOM 659 OE1 GLU B 4 18.401 7.532 4.849 1.00 0.00 O ATOM 660 OE2 GLU B 4 20.011 8.414 5.977 1.00 0.00 O ATOM 0 HA GLU B 4 22.442 5.330 3.665 1.00 0.00 H new ATOM 0 HB2 GLU B 4 20.948 7.759 3.034 1.00 0.00 H new ATOM 0 HB3 GLU B 4 19.942 6.380 2.636 1.00 0.00 H new ATOM 0 HG2 GLU B 4 20.068 5.493 4.874 1.00 0.00 H new ATOM 0 HG3 GLU B 4 21.441 6.500 5.288 1.00 0.00 H new ATOM 667 N GLU B 5 21.884 5.298 0.486 1.00 0.00 N ATOM 668 CA GLU B 5 21.576 4.369 -0.639 1.00 0.00 C ATOM 669 C GLU B 5 22.653 3.287 -0.744 1.00 0.00 C ATOM 670 O GLU B 5 22.361 2.109 -0.784 1.00 0.00 O ATOM 671 CB GLU B 5 21.576 5.248 -1.891 1.00 0.00 C ATOM 672 CG GLU B 5 20.193 5.874 -2.077 1.00 0.00 C ATOM 673 CD GLU B 5 19.961 6.165 -3.561 1.00 0.00 C ATOM 674 OE1 GLU B 5 20.911 6.545 -4.225 1.00 0.00 O ATOM 675 OE2 GLU B 5 18.838 6.002 -4.008 1.00 0.00 O ATOM 0 H GLU B 5 22.227 6.218 0.209 1.00 0.00 H new ATOM 0 HA GLU B 5 20.624 3.856 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU B 5 22.331 6.029 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU B 5 21.838 4.653 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU B 5 19.423 5.199 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU B 5 20.118 6.795 -1.499 1.00 0.00 H new ATOM 682 N LEU B 6 23.897 3.678 -0.791 1.00 0.00 N ATOM 683 CA LEU B 6 24.989 2.668 -0.894 1.00 0.00 C ATOM 684 C LEU B 6 25.009 1.799 0.378 1.00 0.00 C ATOM 685 O LEU B 6 25.447 0.666 0.361 1.00 0.00 O ATOM 686 CB LEU B 6 26.277 3.510 -1.104 1.00 0.00 C ATOM 687 CG LEU B 6 27.278 3.367 0.055 1.00 0.00 C ATOM 688 CD1 LEU B 6 27.915 1.977 0.011 1.00 0.00 C ATOM 689 CD2 LEU B 6 28.374 4.428 -0.087 1.00 0.00 C ATOM 0 H LEU B 6 24.204 4.650 -0.763 1.00 0.00 H new ATOM 0 HA LEU B 6 24.870 1.960 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU B 6 26.758 3.204 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU B 6 26.005 4.560 -1.216 1.00 0.00 H new ATOM 0 HG LEU B 6 26.757 3.500 1.003 1.00 0.00 H new ATOM 0 HD11 LEU B 6 28.624 1.876 0.832 1.00 0.00 H new ATOM 0 HD12 LEU B 6 27.139 1.218 0.106 1.00 0.00 H new ATOM 0 HD13 LEU B 6 28.437 1.846 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU B 6 29.085 4.329 0.733 1.00 0.00 H new ATOM 0 HD22 LEU B 6 28.893 4.290 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU B 6 27.925 5.421 -0.060 1.00 0.00 H new ATOM 701 N GLU B 7 24.519 2.321 1.471 1.00 0.00 N ATOM 702 CA GLU B 7 24.493 1.528 2.736 1.00 0.00 C ATOM 703 C GLU B 7 23.482 0.387 2.617 1.00 0.00 C ATOM 704 O GLU B 7 23.790 -0.767 2.868 1.00 0.00 O ATOM 705 CB GLU B 7 24.044 2.518 3.810 1.00 0.00 C ATOM 706 CG GLU B 7 24.369 1.952 5.195 1.00 0.00 C ATOM 707 CD GLU B 7 23.112 1.320 5.795 1.00 0.00 C ATOM 708 OE1 GLU B 7 22.756 0.234 5.366 1.00 0.00 O ATOM 709 OE2 GLU B 7 22.527 1.931 6.673 1.00 0.00 O ATOM 0 H GLU B 7 24.135 3.263 1.543 1.00 0.00 H new ATOM 0 HA GLU B 7 25.461 1.081 2.965 1.00 0.00 H new ATOM 0 HB2 GLU B 7 24.546 3.475 3.670 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.973 2.704 3.724 1.00 0.00 H new ATOM 0 HG2 GLU B 7 25.162 1.208 5.119 1.00 0.00 H new ATOM 0 HG3 GLU B 7 24.737 2.745 5.846 1.00 0.00 H new ATOM 716 N LYS B 8 22.274 0.701 2.235 1.00 0.00 N ATOM 717 CA LYS B 8 21.239 -0.361 2.096 1.00 0.00 C ATOM 718 C LYS B 8 21.705 -1.398 1.082 1.00 0.00 C ATOM 719 O LYS B 8 21.669 -2.581 1.336 1.00 0.00 O ATOM 720 CB LYS B 8 19.985 0.359 1.600 1.00 0.00 C ATOM 721 CG LYS B 8 18.750 -0.255 2.261 1.00 0.00 C ATOM 722 CD LYS B 8 18.023 0.815 3.077 1.00 0.00 C ATOM 723 CE LYS B 8 16.758 1.250 2.335 1.00 0.00 C ATOM 724 NZ LYS B 8 17.224 2.266 1.349 1.00 0.00 N ATOM 0 H LYS B 8 21.960 1.646 2.014 1.00 0.00 H new ATOM 0 HA LYS B 8 21.051 -0.886 3.032 1.00 0.00 H new ATOM 0 HB2 LYS B 8 20.046 1.422 1.835 1.00 0.00 H new ATOM 0 HB3 LYS B 8 19.910 0.276 0.516 1.00 0.00 H new ATOM 0 HG2 LYS B 8 18.083 -0.664 1.502 1.00 0.00 H new ATOM 0 HG3 LYS B 8 19.044 -1.083 2.907 1.00 0.00 H new ATOM 0 HD2 LYS B 8 17.764 0.424 4.061 1.00 0.00 H new ATOM 0 HD3 LYS B 8 18.677 1.672 3.237 1.00 0.00 H new ATOM 0 HE2 LYS B 8 16.281 0.405 1.837 1.00 0.00 H new ATOM 0 HE3 LYS B 8 16.023 1.672 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 16.413 2.614 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 17.667 3.061 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 17.918 1.833 0.706 1.00 0.00 H new ATOM 738 N LYS B 9 22.159 -0.964 -0.057 1.00 0.00 N ATOM 739 CA LYS B 9 22.652 -1.932 -1.073 1.00 0.00 C ATOM 740 C LYS B 9 23.805 -2.739 -0.475 1.00 0.00 C ATOM 741 O LYS B 9 24.089 -3.846 -0.887 1.00 0.00 O ATOM 742 CB LYS B 9 23.141 -1.066 -2.232 1.00 0.00 C ATOM 743 CG LYS B 9 21.939 -0.462 -2.961 1.00 0.00 C ATOM 744 CD LYS B 9 21.774 -1.143 -4.321 1.00 0.00 C ATOM 745 CE LYS B 9 20.925 -2.405 -4.160 1.00 0.00 C ATOM 746 NZ LYS B 9 21.907 -3.526 -4.142 1.00 0.00 N ATOM 0 H LYS B 9 22.210 0.018 -0.329 1.00 0.00 H new ATOM 0 HA LYS B 9 21.889 -2.640 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS B 9 23.789 -0.273 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS B 9 23.735 -1.665 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS B 9 21.036 -0.592 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS B 9 22.082 0.610 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS B 9 21.300 -0.460 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS B 9 22.750 -1.399 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS B 9 20.342 -2.375 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS B 9 20.217 -2.513 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 21.399 -4.432 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 22.488 -3.492 -5.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 22.521 -3.437 -3.307 1.00 0.00 H new ATOM 760 N PHE B 10 24.467 -2.180 0.500 1.00 0.00 N ATOM 761 CA PHE B 10 25.608 -2.883 1.151 1.00 0.00 C ATOM 762 C PHE B 10 25.137 -4.158 1.862 1.00 0.00 C ATOM 763 O PHE B 10 25.494 -5.261 1.486 1.00 0.00 O ATOM 764 CB PHE B 10 26.138 -1.873 2.172 1.00 0.00 C ATOM 765 CG PHE B 10 27.614 -2.078 2.382 1.00 0.00 C ATOM 766 CD1 PHE B 10 28.531 -1.689 1.381 1.00 0.00 C ATOM 767 CD2 PHE B 10 28.079 -2.647 3.588 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.915 -1.869 1.587 1.00 0.00 C ATOM 769 CE2 PHE B 10 29.463 -2.829 3.793 1.00 0.00 C ATOM 770 CZ PHE B 10 30.381 -2.439 2.792 1.00 0.00 C ATOM 0 H PHE B 10 24.263 -1.255 0.878 1.00 0.00 H new ATOM 0 HA PHE B 10 26.363 -3.195 0.430 1.00 0.00 H new ATOM 0 HB2 PHE B 10 25.950 -0.858 1.823 1.00 0.00 H new ATOM 0 HB3 PHE B 10 25.609 -1.988 3.118 1.00 0.00 H new ATOM 0 HD1 PHE B 10 28.173 -1.254 0.459 1.00 0.00 H new ATOM 0 HD2 PHE B 10 27.376 -2.943 4.353 1.00 0.00 H new ATOM 0 HE1 PHE B 10 30.618 -1.571 0.823 1.00 0.00 H new ATOM 0 HE2 PHE B 10 29.820 -3.266 4.714 1.00 0.00 H new ATOM 0 HZ PHE B 10 31.441 -2.577 2.949 1.00 0.00 H new ATOM 780 N LYS B 11 24.347 -4.020 2.892 1.00 0.00 N ATOM 781 CA LYS B 11 23.878 -5.231 3.631 1.00 0.00 C ATOM 782 C LYS B 11 22.932 -6.061 2.761 1.00 0.00 C ATOM 783 O LYS B 11 22.742 -7.242 2.982 1.00 0.00 O ATOM 784 CB LYS B 11 23.146 -4.685 4.852 1.00 0.00 C ATOM 785 CG LYS B 11 22.661 -5.848 5.720 1.00 0.00 C ATOM 786 CD LYS B 11 23.775 -6.262 6.684 1.00 0.00 C ATOM 787 CE LYS B 11 23.878 -7.788 6.720 1.00 0.00 C ATOM 788 NZ LYS B 11 25.092 -8.069 7.538 1.00 0.00 N ATOM 0 H LYS B 11 24.007 -3.129 3.253 1.00 0.00 H new ATOM 0 HA LYS B 11 24.702 -5.889 3.907 1.00 0.00 H new ATOM 0 HB2 LYS B 11 23.809 -4.040 5.428 1.00 0.00 H new ATOM 0 HB3 LYS B 11 22.300 -4.074 4.538 1.00 0.00 H new ATOM 0 HG2 LYS B 11 21.773 -5.553 6.279 1.00 0.00 H new ATOM 0 HG3 LYS B 11 22.377 -6.692 5.091 1.00 0.00 H new ATOM 0 HD2 LYS B 11 24.724 -5.830 6.367 1.00 0.00 H new ATOM 0 HD3 LYS B 11 23.568 -5.877 7.683 1.00 0.00 H new ATOM 0 HE2 LYS B 11 22.989 -8.234 7.166 1.00 0.00 H new ATOM 0 HE3 LYS B 11 23.973 -8.202 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 25.232 -9.097 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 25.923 -7.637 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 24.969 -7.669 8.490 1.00 0.00 H new ATOM 802 N GLU B 12 22.346 -5.454 1.773 1.00 0.00 N ATOM 803 CA GLU B 12 21.418 -6.202 0.884 1.00 0.00 C ATOM 804 C GLU B 12 22.220 -7.038 -0.108 1.00 0.00 C ATOM 805 O GLU B 12 21.761 -8.051 -0.597 1.00 0.00 O ATOM 806 CB GLU B 12 20.612 -5.128 0.156 1.00 0.00 C ATOM 807 CG GLU B 12 19.388 -4.753 0.994 1.00 0.00 C ATOM 808 CD GLU B 12 18.120 -4.947 0.160 1.00 0.00 C ATOM 809 OE1 GLU B 12 17.606 -6.054 0.150 1.00 0.00 O ATOM 810 OE2 GLU B 12 17.686 -3.987 -0.453 1.00 0.00 O ATOM 0 H GLU B 12 22.469 -4.468 1.541 1.00 0.00 H new ATOM 0 HA GLU B 12 20.771 -6.886 1.434 1.00 0.00 H new ATOM 0 HB2 GLU B 12 21.231 -4.248 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU B 12 20.298 -5.494 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU B 12 19.345 -5.371 1.891 1.00 0.00 H new ATOM 0 HG3 GLU B 12 19.464 -3.717 1.325 1.00 0.00 H new ATOM 817 N LEU B 13 23.423 -6.627 -0.404 1.00 0.00 N ATOM 818 CA LEU B 13 24.250 -7.411 -1.357 1.00 0.00 C ATOM 819 C LEU B 13 24.862 -8.611 -0.633 1.00 0.00 C ATOM 820 O LEU B 13 24.989 -9.684 -1.190 1.00 0.00 O ATOM 821 CB LEU B 13 25.326 -6.445 -1.845 1.00 0.00 C ATOM 822 CG LEU B 13 24.943 -5.939 -3.238 1.00 0.00 C ATOM 823 CD1 LEU B 13 25.833 -4.757 -3.619 1.00 0.00 C ATOM 824 CD2 LEU B 13 25.127 -7.065 -4.257 1.00 0.00 C ATOM 0 H LEU B 13 23.864 -5.788 -0.029 1.00 0.00 H new ATOM 0 HA LEU B 13 23.673 -7.806 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU B 13 25.423 -5.608 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU B 13 26.294 -6.945 -1.878 1.00 0.00 H new ATOM 0 HG LEU B 13 23.901 -5.619 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU B 13 25.558 -4.399 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU B 13 25.701 -3.954 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU B 13 26.876 -5.074 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU B 13 24.855 -6.706 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU B 13 26.169 -7.386 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU B 13 24.489 -7.907 -3.988 1.00 0.00 H new ATOM 836 N TRP B 14 25.223 -8.447 0.612 1.00 0.00 N ATOM 837 CA TRP B 14 25.803 -9.595 1.370 1.00 0.00 C ATOM 838 C TRP B 14 24.740 -10.673 1.554 1.00 0.00 C ATOM 839 O TRP B 14 24.967 -11.841 1.306 1.00 0.00 O ATOM 840 CB TRP B 14 26.201 -9.026 2.729 1.00 0.00 C ATOM 841 CG TRP B 14 27.686 -8.986 2.833 1.00 0.00 C ATOM 842 CD1 TRP B 14 28.488 -10.052 3.083 1.00 0.00 C ATOM 843 CD2 TRP B 14 28.562 -7.841 2.687 1.00 0.00 C ATOM 844 NE1 TRP B 14 29.800 -9.630 3.103 1.00 0.00 N ATOM 845 CE2 TRP B 14 29.902 -8.279 2.863 1.00 0.00 C ATOM 846 CE3 TRP B 14 28.332 -6.468 2.419 1.00 0.00 C ATOM 847 CZ2 TRP B 14 30.976 -7.392 2.777 1.00 0.00 C ATOM 848 CZ3 TRP B 14 29.416 -5.567 2.328 1.00 0.00 C ATOM 849 CH2 TRP B 14 30.737 -6.028 2.506 1.00 0.00 C ATOM 0 H TRP B 14 25.142 -7.575 1.134 1.00 0.00 H new ATOM 0 HA TRP B 14 26.651 -10.042 0.852 1.00 0.00 H new ATOM 0 HB2 TRP B 14 25.790 -8.024 2.850 1.00 0.00 H new ATOM 0 HB3 TRP B 14 25.786 -9.640 3.528 1.00 0.00 H new ATOM 0 HD1 TRP B 14 28.153 -11.066 3.241 1.00 0.00 H new ATOM 0 HE1 TRP B 14 30.597 -10.243 3.275 1.00 0.00 H new ATOM 0 HE3 TRP B 14 27.322 -6.109 2.284 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 31.986 -7.748 2.917 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 29.233 -4.523 2.122 1.00 0.00 H new ATOM 0 HH2 TRP B 14 31.565 -5.338 2.435 1.00 0.00 H new ATOM 860 N LYS B 15 23.578 -10.283 1.994 1.00 0.00 N ATOM 861 CA LYS B 15 22.487 -11.269 2.205 1.00 0.00 C ATOM 862 C LYS B 15 21.512 -11.223 1.025 1.00 0.00 C ATOM 863 O LYS B 15 20.522 -10.518 1.047 1.00 0.00 O ATOM 864 CB LYS B 15 21.819 -10.813 3.501 1.00 0.00 C ATOM 865 CG LYS B 15 20.543 -11.624 3.744 1.00 0.00 C ATOM 866 CD LYS B 15 20.915 -13.052 4.149 1.00 0.00 C ATOM 867 CE LYS B 15 20.758 -13.209 5.664 1.00 0.00 C ATOM 868 NZ LYS B 15 20.716 -14.681 5.892 1.00 0.00 N ATOM 0 H LYS B 15 23.337 -9.317 2.218 1.00 0.00 H new ATOM 0 HA LYS B 15 22.839 -12.298 2.272 1.00 0.00 H new ATOM 0 HB2 LYS B 15 22.506 -10.940 4.338 1.00 0.00 H new ATOM 0 HB3 LYS B 15 21.580 -9.751 3.443 1.00 0.00 H new ATOM 0 HG2 LYS B 15 19.946 -11.157 4.527 1.00 0.00 H new ATOM 0 HG3 LYS B 15 19.931 -11.638 2.842 1.00 0.00 H new ATOM 0 HD2 LYS B 15 20.276 -13.767 3.630 1.00 0.00 H new ATOM 0 HD3 LYS B 15 21.942 -13.269 3.854 1.00 0.00 H new ATOM 0 HE2 LYS B 15 21.590 -12.750 6.198 1.00 0.00 H new ATOM 0 HE3 LYS B 15 19.847 -12.728 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 20.610 -14.872 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 19.910 -15.089 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 21.599 -15.111 5.550 1.00 0.00 H new ATOM 882 N GLY B 16 21.796 -11.964 -0.011 1.00 0.00 N ATOM 883 CA GLY B 16 20.905 -11.965 -1.204 1.00 0.00 C ATOM 884 C GLY B 16 21.712 -12.419 -2.424 1.00 0.00 C ATOM 885 O GLY B 16 21.774 -13.595 -2.724 1.00 0.00 O ATOM 0 H GLY B 16 22.612 -12.572 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY B 16 20.059 -12.632 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY B 16 20.497 -10.968 -1.371 1.00 0.00 H new ATOM 889 N PRO B 17 22.313 -11.465 -3.087 1.00 0.00 N ATOM 890 CA PRO B 17 23.134 -11.768 -4.281 1.00 0.00 C ATOM 891 C PRO B 17 24.497 -12.317 -3.847 1.00 0.00 C ATOM 892 O PRO B 17 24.662 -12.772 -2.733 1.00 0.00 O ATOM 893 CB PRO B 17 23.282 -10.412 -4.965 1.00 0.00 C ATOM 894 CG PRO B 17 23.114 -9.398 -3.875 1.00 0.00 C ATOM 895 CD PRO B 17 22.280 -10.029 -2.787 1.00 0.00 C ATOM 0 HA PRO B 17 22.693 -12.519 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO B 17 24.257 -10.317 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO B 17 22.531 -10.280 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO B 17 24.084 -9.092 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO B 17 22.628 -8.501 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO B 17 22.691 -9.820 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO B 17 21.260 -9.645 -2.795 1.00 0.00 H new ATOM 903 N ARG B 18 25.476 -12.278 -4.714 1.00 0.00 N ATOM 904 CA ARG B 18 26.827 -12.796 -4.343 1.00 0.00 C ATOM 905 C ARG B 18 27.262 -12.229 -2.980 1.00 0.00 C ATOM 906 O ARG B 18 26.634 -11.339 -2.442 1.00 0.00 O ATOM 907 CB ARG B 18 27.761 -12.333 -5.482 1.00 0.00 C ATOM 908 CG ARG B 18 28.239 -10.886 -5.266 1.00 0.00 C ATOM 909 CD ARG B 18 27.051 -9.924 -5.338 1.00 0.00 C ATOM 910 NE ARG B 18 26.489 -10.100 -6.710 1.00 0.00 N ATOM 911 CZ ARG B 18 27.205 -9.785 -7.755 1.00 0.00 C ATOM 912 NH1 ARG B 18 27.720 -8.590 -7.858 1.00 0.00 N ATOM 913 NH2 ARG B 18 27.407 -10.665 -8.697 1.00 0.00 N ATOM 0 H ARG B 18 25.398 -11.910 -5.662 1.00 0.00 H new ATOM 0 HA ARG B 18 26.845 -13.881 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG B 18 28.623 -12.997 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG B 18 27.238 -12.406 -6.435 1.00 0.00 H new ATOM 0 HG2 ARG B 18 28.730 -10.798 -4.297 1.00 0.00 H new ATOM 0 HG3 ARG B 18 28.977 -10.622 -6.023 1.00 0.00 H new ATOM 0 HD2 ARG B 18 26.308 -10.157 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG B 18 27.367 -8.894 -5.171 1.00 0.00 H new ATOM 0 HE ARG B 18 25.545 -10.467 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG B 18 27.563 -7.902 -7.122 1.00 0.00 H new ATOM 0 HH12 ARG B 18 28.279 -8.344 -8.675 1.00 0.00 H new ATOM 0 HH21 ARG B 18 27.005 -11.599 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG B 18 27.966 -10.419 -9.514 1.00 0.00 H new ATOM 927 N ARG B 19 28.326 -12.735 -2.423 1.00 0.00 N ATOM 928 CA ARG B 19 28.783 -12.216 -1.103 1.00 0.00 C ATOM 929 C ARG B 19 30.305 -12.044 -1.093 1.00 0.00 C ATOM 930 O ARG B 19 30.826 -11.089 -0.553 1.00 0.00 O ATOM 931 CB ARG B 19 28.356 -13.276 -0.088 1.00 0.00 C ATOM 932 CG ARG B 19 28.490 -12.709 1.326 1.00 0.00 C ATOM 933 CD ARG B 19 28.604 -13.860 2.328 1.00 0.00 C ATOM 934 NE ARG B 19 29.942 -14.461 2.066 1.00 0.00 N ATOM 935 CZ ARG B 19 30.308 -15.539 2.703 1.00 0.00 C ATOM 936 NH1 ARG B 19 30.294 -15.562 4.008 1.00 0.00 N ATOM 937 NH2 ARG B 19 30.689 -16.593 2.035 1.00 0.00 N ATOM 0 H ARG B 19 28.896 -13.481 -2.821 1.00 0.00 H new ATOM 0 HA ARG B 19 28.355 -11.239 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG B 19 27.326 -13.579 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG B 19 28.975 -14.167 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG B 19 29.369 -12.068 1.391 1.00 0.00 H new ATOM 0 HG3 ARG B 19 27.626 -12.089 1.564 1.00 0.00 H new ATOM 0 HD2 ARG B 19 28.526 -13.501 3.354 1.00 0.00 H new ATOM 0 HD3 ARG B 19 27.807 -14.590 2.184 1.00 0.00 H new ATOM 0 HE ARG B 19 30.571 -14.030 1.389 1.00 0.00 H new ATOM 0 HH11 ARG B 19 29.997 -14.737 4.529 1.00 0.00 H new ATOM 0 HH12 ARG B 19 30.580 -16.405 4.506 1.00 0.00 H new ATOM 0 HH21 ARG B 19 30.701 -16.574 1.015 1.00 0.00 H new ATOM 0 HH22 ARG B 19 30.975 -17.436 2.533 1.00 0.00 H new ATOM 951 N GLY B 20 31.023 -12.961 -1.682 1.00 0.00 N ATOM 952 CA GLY B 20 32.508 -12.842 -1.701 1.00 0.00 C ATOM 953 C GLY B 20 32.911 -11.615 -2.522 1.00 0.00 C ATOM 954 O GLY B 20 33.896 -10.961 -2.239 1.00 0.00 O ATOM 0 H GLY B 20 30.646 -13.785 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY B 20 32.889 -12.753 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY B 20 32.950 -13.741 -2.130 1.00 0.00 H new ATOM 958 N GLU B 21 32.157 -11.297 -3.539 1.00 0.00 N ATOM 959 CA GLU B 21 32.497 -10.113 -4.379 1.00 0.00 C ATOM 960 C GLU B 21 32.183 -8.817 -3.627 1.00 0.00 C ATOM 961 O GLU B 21 32.879 -7.830 -3.758 1.00 0.00 O ATOM 962 CB GLU B 21 31.614 -10.242 -5.621 1.00 0.00 C ATOM 963 CG GLU B 21 32.498 -10.386 -6.862 1.00 0.00 C ATOM 964 CD GLU B 21 31.705 -9.973 -8.104 1.00 0.00 C ATOM 965 OE1 GLU B 21 30.493 -10.115 -8.084 1.00 0.00 O ATOM 966 OE2 GLU B 21 32.323 -9.522 -9.055 1.00 0.00 O ATOM 0 H GLU B 21 31.320 -11.806 -3.825 1.00 0.00 H new ATOM 0 HA GLU B 21 33.556 -10.080 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU B 21 30.958 -11.107 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU B 21 30.973 -9.366 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU B 21 33.388 -9.764 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU B 21 32.839 -11.417 -6.961 1.00 0.00 H new ATOM 973 N ILE B 22 31.141 -8.809 -2.841 1.00 0.00 N ATOM 974 CA ILE B 22 30.792 -7.571 -2.085 1.00 0.00 C ATOM 975 C ILE B 22 31.850 -7.289 -1.018 1.00 0.00 C ATOM 976 O ILE B 22 32.369 -6.198 -0.922 1.00 0.00 O ATOM 977 CB ILE B 22 29.440 -7.860 -1.439 1.00 0.00 C ATOM 978 CG1 ILE B 22 28.412 -8.195 -2.523 1.00 0.00 C ATOM 979 CG2 ILE B 22 28.983 -6.629 -0.656 1.00 0.00 C ATOM 980 CD1 ILE B 22 28.198 -6.980 -3.432 1.00 0.00 C ATOM 0 H ILE B 22 30.518 -9.602 -2.689 1.00 0.00 H new ATOM 0 HA ILE B 22 30.750 -6.694 -2.731 1.00 0.00 H new ATOM 0 HB ILE B 22 29.532 -8.709 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE B 22 28.756 -9.045 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE B 22 27.468 -8.487 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE B 22 28.017 -6.830 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE B 22 29.715 -6.397 0.117 1.00 0.00 H new ATOM 0 HG23 ILE B 22 28.890 -5.780 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE B 22 27.465 -7.225 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE B 22 27.834 -6.141 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE B 22 29.142 -6.708 -3.904 1.00 0.00 H new ATOM 992 N GLU B 23 32.182 -8.261 -0.218 1.00 0.00 N ATOM 993 CA GLU B 23 33.214 -8.029 0.822 1.00 0.00 C ATOM 994 C GLU B 23 34.545 -7.714 0.140 1.00 0.00 C ATOM 995 O GLU B 23 35.361 -6.971 0.657 1.00 0.00 O ATOM 996 CB GLU B 23 33.245 -9.329 1.629 1.00 0.00 C ATOM 997 CG GLU B 23 34.245 -9.212 2.771 1.00 0.00 C ATOM 998 CD GLU B 23 35.391 -10.202 2.556 1.00 0.00 C ATOM 999 OE1 GLU B 23 35.107 -11.363 2.310 1.00 0.00 O ATOM 1000 OE2 GLU B 23 36.534 -9.783 2.643 1.00 0.00 O ATOM 0 H GLU B 23 31.785 -9.200 -0.240 1.00 0.00 H new ATOM 0 HA GLU B 23 33.007 -7.183 1.478 1.00 0.00 H new ATOM 0 HB2 GLU B 23 32.253 -9.544 2.025 1.00 0.00 H new ATOM 0 HB3 GLU B 23 33.517 -10.162 0.981 1.00 0.00 H new ATOM 0 HG2 GLU B 23 34.635 -8.195 2.823 1.00 0.00 H new ATOM 0 HG3 GLU B 23 33.751 -9.413 3.722 1.00 0.00 H new ATOM 1007 N GLU B 24 34.750 -8.223 -1.044 1.00 0.00 N ATOM 1008 CA GLU B 24 36.003 -7.893 -1.772 1.00 0.00 C ATOM 1009 C GLU B 24 35.954 -6.408 -2.132 1.00 0.00 C ATOM 1010 O GLU B 24 36.955 -5.716 -2.152 1.00 0.00 O ATOM 1011 CB GLU B 24 35.984 -8.763 -3.029 1.00 0.00 C ATOM 1012 CG GLU B 24 37.160 -8.382 -3.930 1.00 0.00 C ATOM 1013 CD GLU B 24 37.096 -9.195 -5.224 1.00 0.00 C ATOM 1014 OE1 GLU B 24 37.184 -10.409 -5.142 1.00 0.00 O ATOM 1015 OE2 GLU B 24 36.959 -8.590 -6.274 1.00 0.00 O ATOM 0 H GLU B 24 34.109 -8.847 -1.534 1.00 0.00 H new ATOM 0 HA GLU B 24 36.908 -8.077 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU B 24 36.047 -9.816 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU B 24 35.044 -8.628 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU B 24 37.128 -7.316 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU B 24 38.102 -8.571 -3.416 1.00 0.00 H new ATOM 1022 N LEU B 25 34.771 -5.915 -2.390 1.00 0.00 N ATOM 1023 CA LEU B 25 34.604 -4.472 -2.724 1.00 0.00 C ATOM 1024 C LEU B 25 34.945 -3.632 -1.495 1.00 0.00 C ATOM 1025 O LEU B 25 35.531 -2.574 -1.596 1.00 0.00 O ATOM 1026 CB LEU B 25 33.124 -4.311 -3.076 1.00 0.00 C ATOM 1027 CG LEU B 25 32.860 -2.883 -3.550 1.00 0.00 C ATOM 1028 CD1 LEU B 25 33.344 -2.712 -4.990 1.00 0.00 C ATOM 1029 CD2 LEU B 25 31.358 -2.598 -3.480 1.00 0.00 C ATOM 0 H LEU B 25 33.907 -6.456 -2.383 1.00 0.00 H new ATOM 0 HA LEU B 25 35.251 -4.152 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU B 25 32.846 -5.020 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU B 25 32.507 -4.536 -2.206 1.00 0.00 H new ATOM 0 HG LEU B 25 33.399 -2.186 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU B 25 33.152 -1.691 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU B 25 34.414 -2.914 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU B 25 32.812 -3.409 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU B 25 31.165 -1.580 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU B 25 30.824 -3.300 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU B 25 31.014 -2.711 -2.452 1.00 0.00 H new ATOM 1041 N HIS B 26 34.582 -4.104 -0.332 1.00 0.00 N ATOM 1042 CA HIS B 26 34.888 -3.344 0.911 1.00 0.00 C ATOM 1043 C HIS B 26 36.402 -3.246 1.091 1.00 0.00 C ATOM 1044 O HIS B 26 36.913 -2.258 1.570 1.00 0.00 O ATOM 1045 CB HIS B 26 34.253 -4.147 2.044 1.00 0.00 C ATOM 1046 CG HIS B 26 34.582 -3.494 3.357 1.00 0.00 C ATOM 1047 ND1 HIS B 26 33.938 -2.351 3.799 1.00 0.00 N ATOM 1048 CD2 HIS B 26 35.490 -3.813 4.331 1.00 0.00 C ATOM 1049 CE1 HIS B 26 34.465 -2.028 4.995 1.00 0.00 C ATOM 1050 NE2 HIS B 26 35.417 -2.887 5.365 1.00 0.00 N ATOM 0 H HIS B 26 34.086 -4.984 -0.191 1.00 0.00 H new ATOM 0 HA HIS B 26 34.501 -2.325 0.885 1.00 0.00 H new ATOM 0 HB2 HIS B 26 33.172 -4.197 1.909 1.00 0.00 H new ATOM 0 HB3 HIS B 26 34.623 -5.172 2.031 1.00 0.00 H new ATOM 0 HD1 HIS B 26 33.200 -1.846 3.309 1.00 0.00 H new ATOM 0 HD2 HIS B 26 36.162 -4.658 4.300 1.00 0.00 H new ATOM 0 HE1 HIS B 26 34.155 -1.177 5.584 1.00 0.00 H new ATOM 1058 N LYS B 27 37.131 -4.252 0.696 1.00 0.00 N ATOM 1059 CA LYS B 27 38.612 -4.172 0.835 1.00 0.00 C ATOM 1060 C LYS B 27 39.129 -3.064 -0.085 1.00 0.00 C ATOM 1061 O LYS B 27 39.932 -2.238 0.305 1.00 0.00 O ATOM 1062 CB LYS B 27 39.137 -5.539 0.394 1.00 0.00 C ATOM 1063 CG LYS B 27 40.376 -5.899 1.217 1.00 0.00 C ATOM 1064 CD LYS B 27 39.944 -6.411 2.593 1.00 0.00 C ATOM 1065 CE LYS B 27 39.117 -7.687 2.428 1.00 0.00 C ATOM 1066 NZ LYS B 27 39.395 -8.484 3.657 1.00 0.00 N ATOM 0 H LYS B 27 36.772 -5.115 0.288 1.00 0.00 H new ATOM 0 HA LYS B 27 38.935 -3.941 1.850 1.00 0.00 H new ATOM 0 HB2 LYS B 27 38.365 -6.297 0.528 1.00 0.00 H new ATOM 0 HB3 LYS B 27 39.385 -5.520 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS B 27 40.960 -6.661 0.701 1.00 0.00 H new ATOM 0 HG3 LYS B 27 41.019 -5.026 1.328 1.00 0.00 H new ATOM 0 HD2 LYS B 27 40.820 -6.611 3.210 1.00 0.00 H new ATOM 0 HD3 LYS B 27 39.358 -5.650 3.108 1.00 0.00 H new ATOM 0 HE2 LYS B 27 38.055 -7.461 2.336 1.00 0.00 H new ATOM 0 HE3 LYS B 27 39.406 -8.232 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 38.863 -9.377 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 40.413 -8.690 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 39.103 -7.942 4.495 1.00 0.00 H new ATOM 1080 N LYS B 28 38.652 -3.027 -1.302 1.00 0.00 N ATOM 1081 CA LYS B 28 39.092 -1.958 -2.242 1.00 0.00 C ATOM 1082 C LYS B 28 38.562 -0.602 -1.761 1.00 0.00 C ATOM 1083 O LYS B 28 39.085 0.439 -2.105 1.00 0.00 O ATOM 1084 CB LYS B 28 38.475 -2.332 -3.590 1.00 0.00 C ATOM 1085 CG LYS B 28 39.014 -3.692 -4.039 1.00 0.00 C ATOM 1086 CD LYS B 28 39.519 -3.590 -5.479 1.00 0.00 C ATOM 1087 CE LYS B 28 40.386 -4.807 -5.804 1.00 0.00 C ATOM 1088 NZ LYS B 28 40.315 -4.942 -7.287 1.00 0.00 N ATOM 0 H LYS B 28 37.978 -3.691 -1.684 1.00 0.00 H new ATOM 0 HA LYS B 28 40.177 -1.877 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS B 28 37.389 -2.369 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS B 28 38.712 -1.571 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS B 28 39.822 -4.010 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS B 28 38.231 -4.447 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS B 28 38.676 -3.536 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS B 28 40.096 -2.674 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS B 28 41.413 -4.661 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS B 28 40.013 -5.702 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 40.886 -5.757 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 39.326 -5.086 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 40.683 -4.077 -7.732 1.00 0.00 H new ATOM 1102 N PHE B 29 37.534 -0.614 -0.953 1.00 0.00 N ATOM 1103 CA PHE B 29 36.969 0.661 -0.425 1.00 0.00 C ATOM 1104 C PHE B 29 37.920 1.237 0.619 1.00 0.00 C ATOM 1105 O PHE B 29 38.179 2.424 0.657 1.00 0.00 O ATOM 1106 CB PHE B 29 35.634 0.258 0.213 1.00 0.00 C ATOM 1107 CG PHE B 29 34.528 0.164 -0.828 1.00 0.00 C ATOM 1108 CD1 PHE B 29 34.786 0.375 -2.210 1.00 0.00 C ATOM 1109 CD2 PHE B 29 33.215 -0.132 -0.401 1.00 0.00 C ATOM 1110 CE1 PHE B 29 33.734 0.291 -3.146 1.00 0.00 C ATOM 1111 CE2 PHE B 29 32.166 -0.214 -1.340 1.00 0.00 C ATOM 1112 CZ PHE B 29 32.425 -0.001 -2.712 1.00 0.00 C ATOM 0 H PHE B 29 37.059 -1.459 -0.635 1.00 0.00 H new ATOM 0 HA PHE B 29 36.833 1.422 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE B 29 35.745 -0.702 0.716 1.00 0.00 H new ATOM 0 HB3 PHE B 29 35.358 0.987 0.975 1.00 0.00 H new ATOM 0 HD1 PHE B 29 35.788 0.600 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE B 29 33.014 -0.296 0.647 1.00 0.00 H new ATOM 0 HE1 PHE B 29 33.932 0.450 -4.196 1.00 0.00 H new ATOM 0 HE2 PHE B 29 31.163 -0.440 -1.009 1.00 0.00 H new ATOM 0 HZ PHE B 29 31.620 -0.062 -3.429 1.00 0.00 H new ATOM 1122 N HIS B 30 38.453 0.395 1.455 1.00 0.00 N ATOM 1123 CA HIS B 30 39.400 0.867 2.497 1.00 0.00 C ATOM 1124 C HIS B 30 40.714 1.303 1.844 1.00 0.00 C ATOM 1125 O HIS B 30 41.419 2.155 2.349 1.00 0.00 O ATOM 1126 CB HIS B 30 39.623 -0.354 3.391 1.00 0.00 C ATOM 1127 CG HIS B 30 40.175 0.088 4.717 1.00 0.00 C ATOM 1128 ND1 HIS B 30 40.364 -0.794 5.771 1.00 0.00 N ATOM 1129 CD2 HIS B 30 40.584 1.315 5.177 1.00 0.00 C ATOM 1130 CE1 HIS B 30 40.867 -0.090 6.802 1.00 0.00 C ATOM 1131 NE2 HIS B 30 41.021 1.200 6.494 1.00 0.00 N ATOM 0 H HIS B 30 38.271 -0.609 1.461 1.00 0.00 H new ATOM 0 HA HIS B 30 39.023 1.723 3.057 1.00 0.00 H new ATOM 0 HB2 HIS B 30 38.684 -0.888 3.536 1.00 0.00 H new ATOM 0 HB3 HIS B 30 40.313 -1.048 2.911 1.00 0.00 H new ATOM 0 HD2 HIS B 30 40.569 2.231 4.604 1.00 0.00 H new ATOM 0 HE1 HIS B 30 41.116 -0.517 7.762 1.00 0.00 H new ATOM 0 HE2 HIS B 30 41.381 1.942 7.094 1.00 0.00 H new ATOM 1139 N GLU B 31 41.048 0.717 0.727 1.00 0.00 N ATOM 1140 CA GLU B 31 42.319 1.085 0.042 1.00 0.00 C ATOM 1141 C GLU B 31 42.130 2.319 -0.849 1.00 0.00 C ATOM 1142 O GLU B 31 43.075 3.025 -1.142 1.00 0.00 O ATOM 1143 CB GLU B 31 42.670 -0.134 -0.810 1.00 0.00 C ATOM 1144 CG GLU B 31 43.918 -0.811 -0.241 1.00 0.00 C ATOM 1145 CD GLU B 31 44.349 -1.949 -1.168 1.00 0.00 C ATOM 1146 OE1 GLU B 31 43.517 -2.413 -1.930 1.00 0.00 O ATOM 1147 OE2 GLU B 31 45.503 -2.338 -1.101 1.00 0.00 O ATOM 0 H GLU B 31 40.495 -0.001 0.259 1.00 0.00 H new ATOM 0 HA GLU B 31 43.104 1.337 0.755 1.00 0.00 H new ATOM 0 HB2 GLU B 31 41.836 -0.836 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU B 31 42.846 0.169 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU B 31 44.725 -0.085 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU B 31 43.711 -1.199 0.757 1.00 0.00 H new ATOM 1154 N LEU B 32 40.930 2.585 -1.294 1.00 0.00 N ATOM 1155 CA LEU B 32 40.722 3.769 -2.172 1.00 0.00 C ATOM 1156 C LEU B 32 40.436 5.028 -1.332 1.00 0.00 C ATOM 1157 O LEU B 32 40.596 6.138 -1.800 1.00 0.00 O ATOM 1158 CB LEU B 32 39.553 3.378 -3.106 1.00 0.00 C ATOM 1159 CG LEU B 32 38.192 3.794 -2.532 1.00 0.00 C ATOM 1160 CD1 LEU B 32 37.869 5.224 -2.969 1.00 0.00 C ATOM 1161 CD2 LEU B 32 37.106 2.858 -3.064 1.00 0.00 C ATOM 0 H LEU B 32 40.094 2.038 -1.089 1.00 0.00 H new ATOM 0 HA LEU B 32 41.606 4.023 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU B 32 39.694 3.848 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU B 32 39.564 2.300 -3.268 1.00 0.00 H new ATOM 0 HG LEU B 32 38.229 3.738 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU B 32 36.902 5.519 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU B 32 38.640 5.900 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU B 32 37.834 5.273 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU B 32 36.139 3.153 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU B 32 37.075 2.918 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU B 32 37.329 1.834 -2.764 1.00 0.00 H new ATOM 1173 N ILE B 33 40.030 4.873 -0.096 1.00 0.00 N ATOM 1174 CA ILE B 33 39.762 6.081 0.747 1.00 0.00 C ATOM 1175 C ILE B 33 40.876 6.256 1.786 1.00 0.00 C ATOM 1176 O ILE B 33 41.067 7.326 2.331 1.00 0.00 O ATOM 1177 CB ILE B 33 38.408 5.829 1.429 1.00 0.00 C ATOM 1178 CG1 ILE B 33 38.547 4.703 2.466 1.00 0.00 C ATOM 1179 CG2 ILE B 33 37.373 5.453 0.363 1.00 0.00 C ATOM 1180 CD1 ILE B 33 37.169 4.271 2.971 1.00 0.00 C ATOM 0 H ILE B 33 39.874 3.975 0.362 1.00 0.00 H new ATOM 0 HA ILE B 33 39.736 6.994 0.152 1.00 0.00 H new ATOM 0 HB ILE B 33 38.080 6.732 1.944 1.00 0.00 H new ATOM 0 HG12 ILE B 33 39.062 3.851 2.021 1.00 0.00 H new ATOM 0 HG13 ILE B 33 39.158 5.043 3.302 1.00 0.00 H new ATOM 0 HG21 ILE B 33 36.409 5.273 0.839 1.00 0.00 H new ATOM 0 HG22 ILE B 33 37.276 6.268 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE B 33 37.696 4.550 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE B 33 37.284 3.473 3.705 1.00 0.00 H new ATOM 0 HD12 ILE B 33 36.669 5.121 3.435 1.00 0.00 H new ATOM 0 HD13 ILE B 33 36.571 3.911 2.134 1.00 0.00 H new