USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 617 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 17 ASN : amide:sc= 0.994 K(o=2.3,f=-6.4!) USER MOD Set 1.2: A 31 GLN : amide:sc=-0.000172 X(o=2.3,f=2.1) USER MOD Set 1.3: A 34 TYR OH : rot 80:sc= 1.27 USER MOD Single : A 11 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -165:sc= -0.654 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.7!) USER MOD Single : A 43 SER OG : rot 97:sc= 0.93 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0195 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00846 USER MOD Single : A 64 GLN : amide:sc= -0.0288 X(o=-0.029,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.708 6.347 -13.862 1.00 0.00 N ATOM 60 CA GLY A 7 5.304 6.716 -13.825 1.00 0.00 C ATOM 61 C GLY A 7 4.727 6.536 -12.419 1.00 0.00 C ATOM 62 O GLY A 7 5.066 5.580 -11.723 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.188 7.753 -14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.745 6.104 -14.533 1.00 0.00 H new ATOM 66 N LEU A 8 3.864 7.468 -12.044 1.00 0.00 N ATOM 67 CA LEU A 8 3.236 7.424 -10.735 1.00 0.00 C ATOM 68 C LEU A 8 2.816 5.986 -10.423 1.00 0.00 C ATOM 69 O LEU A 8 3.396 5.341 -9.551 1.00 0.00 O ATOM 70 CB LEU A 8 2.087 8.431 -10.657 1.00 0.00 C ATOM 71 CG LEU A 8 2.489 9.893 -10.447 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.259 10.803 -10.434 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.333 10.053 -9.181 1.00 0.00 C ATOM 0 H LEU A 8 3.585 8.259 -12.624 1.00 0.00 H new ATOM 0 HA LEU A 8 3.945 7.724 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.507 8.363 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.426 8.136 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 8 3.109 10.201 -11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.572 11.836 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.734 10.718 -11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.594 10.504 -9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.605 11.101 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.758 9.721 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.238 9.451 -9.268 1.00 0.00 H new ATOM 85 N ARG A 9 1.810 5.526 -11.154 1.00 0.00 N ATOM 86 CA ARG A 9 1.306 4.177 -10.967 1.00 0.00 C ATOM 87 C ARG A 9 2.465 3.202 -10.751 1.00 0.00 C ATOM 88 O ARG A 9 2.369 2.289 -9.932 1.00 0.00 O ATOM 89 CB ARG A 9 0.485 3.723 -12.176 1.00 0.00 C ATOM 90 CG ARG A 9 -0.921 3.292 -11.753 1.00 0.00 C ATOM 91 CD ARG A 9 -1.982 3.926 -12.654 1.00 0.00 C ATOM 92 NE ARG A 9 -1.790 3.482 -14.053 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.172 4.210 -14.993 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.683 5.420 -14.691 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.043 3.727 -16.237 1.00 0.00 N ATOM 0 H ARG A 9 1.331 6.064 -11.876 1.00 0.00 H new ATOM 0 HA ARG A 9 0.663 4.183 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.418 4.535 -12.900 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.990 2.894 -12.672 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.002 2.206 -11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.098 3.582 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.978 3.647 -12.309 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.917 5.013 -12.597 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.150 2.565 -14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.781 5.788 -13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.213 5.973 -15.407 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.415 2.806 -16.468 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.573 4.281 -16.953 1.00 0.00 H new ATOM 109 N GLU A 10 3.534 3.428 -11.501 1.00 0.00 N ATOM 110 CA GLU A 10 4.710 2.581 -11.402 1.00 0.00 C ATOM 111 C GLU A 10 5.382 2.762 -10.039 1.00 0.00 C ATOM 112 O GLU A 10 5.760 1.785 -9.395 1.00 0.00 O ATOM 113 CB GLU A 10 5.692 2.870 -12.539 1.00 0.00 C ATOM 114 CG GLU A 10 5.984 1.604 -13.347 1.00 0.00 C ATOM 115 CD GLU A 10 7.487 1.442 -13.587 1.00 0.00 C ATOM 116 OE1 GLU A 10 8.254 1.912 -12.720 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.833 0.852 -14.633 1.00 0.00 O ATOM 0 H GLU A 10 3.610 4.186 -12.180 1.00 0.00 H new ATOM 0 HA GLU A 10 4.393 1.542 -11.495 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.279 3.637 -13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.621 3.267 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.601 0.733 -12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.462 1.650 -14.303 1.00 0.00 H new ATOM 124 N GLN A 11 5.509 4.019 -9.640 1.00 0.00 N ATOM 125 CA GLN A 11 6.128 4.340 -8.365 1.00 0.00 C ATOM 126 C GLN A 11 5.462 3.549 -7.237 1.00 0.00 C ATOM 127 O GLN A 11 6.119 2.767 -6.552 1.00 0.00 O ATOM 128 CB GLN A 11 6.067 5.844 -8.090 1.00 0.00 C ATOM 129 CG GLN A 11 7.227 6.574 -8.770 1.00 0.00 C ATOM 130 CD GLN A 11 7.553 7.881 -8.045 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.110 7.897 -6.960 1.00 0.00 O ATOM 132 NE2 GLN A 11 7.175 8.973 -8.704 1.00 0.00 N ATOM 0 H GLN A 11 5.194 4.827 -10.177 1.00 0.00 H new ATOM 0 HA GLN A 11 7.179 4.054 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.120 6.245 -8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.101 6.022 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.108 5.932 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.970 6.784 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.713 8.888 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.347 9.895 -8.304 1.00 0.00 H new ATOM 141 N VAL A 12 4.167 3.780 -7.079 1.00 0.00 N ATOM 142 CA VAL A 12 3.406 3.099 -6.046 1.00 0.00 C ATOM 143 C VAL A 12 3.517 1.587 -6.250 1.00 0.00 C ATOM 144 O VAL A 12 3.746 0.843 -5.298 1.00 0.00 O ATOM 145 CB VAL A 12 1.959 3.597 -6.048 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.225 3.151 -4.782 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.904 5.118 -6.207 1.00 0.00 C ATOM 0 H VAL A 12 3.626 4.430 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 12 3.813 3.325 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 12 1.452 3.152 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.199 3.518 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.220 2.062 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.732 3.555 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.865 5.447 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.435 5.590 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.373 5.403 -7.149 1.00 0.00 H new ATOM 157 N GLN A 13 3.351 1.177 -7.499 1.00 0.00 N ATOM 158 CA GLN A 13 3.430 -0.234 -7.841 1.00 0.00 C ATOM 159 C GLN A 13 4.691 -0.856 -7.237 1.00 0.00 C ATOM 160 O GLN A 13 4.709 -2.044 -6.918 1.00 0.00 O ATOM 161 CB GLN A 13 3.392 -0.434 -9.357 1.00 0.00 C ATOM 162 CG GLN A 13 1.988 -0.827 -9.823 1.00 0.00 C ATOM 163 CD GLN A 13 2.054 -1.873 -10.938 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.829 -3.054 -10.730 1.00 0.00 O ATOM 165 NE2 GLN A 13 2.374 -1.375 -12.129 1.00 0.00 N ATOM 0 H GLN A 13 3.162 1.797 -8.287 1.00 0.00 H new ATOM 0 HA GLN A 13 2.561 -0.739 -7.420 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.701 0.484 -9.856 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.104 -1.208 -9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.419 -1.222 -8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.458 0.057 -10.179 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.550 -0.376 -12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.444 -1.992 -12.938 1.00 0.00 H new ATOM 174 N ASP A 14 5.714 -0.026 -7.098 1.00 0.00 N ATOM 175 CA ASP A 14 6.975 -0.480 -6.539 1.00 0.00 C ATOM 176 C ASP A 14 6.939 -0.324 -5.017 1.00 0.00 C ATOM 177 O ASP A 14 7.445 -1.178 -4.290 1.00 0.00 O ATOM 178 CB ASP A 14 8.145 0.351 -7.070 1.00 0.00 C ATOM 179 CG ASP A 14 9.479 -0.392 -7.158 1.00 0.00 C ATOM 180 OD1 ASP A 14 9.973 -0.800 -6.085 1.00 0.00 O ATOM 181 OD2 ASP A 14 9.976 -0.535 -8.296 1.00 0.00 O ATOM 0 H ASP A 14 5.695 0.959 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 14 7.114 -1.523 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.887 0.722 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.273 1.222 -6.428 1.00 0.00 H new ATOM 186 N LEU A 15 6.335 0.771 -4.580 1.00 0.00 N ATOM 187 CA LEU A 15 6.225 1.049 -3.158 1.00 0.00 C ATOM 188 C LEU A 15 5.644 -0.174 -2.447 1.00 0.00 C ATOM 189 O LEU A 15 6.353 -0.871 -1.722 1.00 0.00 O ATOM 190 CB LEU A 15 5.428 2.334 -2.923 1.00 0.00 C ATOM 191 CG LEU A 15 5.107 2.667 -1.465 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.387 2.924 -0.667 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.128 3.839 -1.373 1.00 0.00 C ATOM 0 H LEU A 15 5.916 1.477 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 15 7.210 1.230 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.986 3.167 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.490 2.262 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 15 4.617 1.803 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.131 3.159 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.016 2.034 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.927 3.763 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.917 4.055 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.568 4.718 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.201 3.580 -1.884 1.00 0.00 H new ATOM 205 N PHE A 16 4.359 -0.399 -2.679 1.00 0.00 N ATOM 206 CA PHE A 16 3.674 -1.526 -2.070 1.00 0.00 C ATOM 207 C PHE A 16 4.530 -2.792 -2.143 1.00 0.00 C ATOM 208 O PHE A 16 4.525 -3.603 -1.218 1.00 0.00 O ATOM 209 CB PHE A 16 2.385 -1.749 -2.864 1.00 0.00 C ATOM 210 CG PHE A 16 1.278 -0.742 -2.549 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.551 0.356 -1.793 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.020 -0.943 -3.024 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.524 1.291 -1.500 1.00 0.00 C ATOM 214 CE2 PHE A 16 -1.008 -0.008 -2.732 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.735 1.089 -1.976 1.00 0.00 C ATOM 0 H PHE A 16 3.774 0.181 -3.281 1.00 0.00 H new ATOM 0 HA PHE A 16 3.473 -1.316 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.613 -1.701 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.016 -2.754 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.550 0.516 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.198 -1.814 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.741 2.162 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.007 -0.168 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.517 1.800 -1.753 1.00 0.00 H new ATOM 225 N ASN A 17 5.243 -2.922 -3.252 1.00 0.00 N ATOM 226 CA ASN A 17 6.102 -4.076 -3.458 1.00 0.00 C ATOM 227 C ASN A 17 7.284 -4.006 -2.489 1.00 0.00 C ATOM 228 O ASN A 17 7.525 -4.942 -1.729 1.00 0.00 O ATOM 229 CB ASN A 17 6.659 -4.101 -4.883 1.00 0.00 C ATOM 230 CG ASN A 17 5.705 -4.828 -5.832 1.00 0.00 C ATOM 231 OD1 ASN A 17 4.809 -5.547 -5.422 1.00 0.00 O ATOM 232 ND2 ASN A 17 5.946 -4.601 -7.120 1.00 0.00 N ATOM 0 H ASN A 17 5.244 -2.248 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 17 5.507 -4.974 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.818 -3.081 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.630 -4.595 -4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.364 -5.040 -7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.713 -3.988 -7.395 1.00 0.00 H new ATOM 239 N LYS A 18 7.992 -2.887 -2.549 1.00 0.00 N ATOM 240 CA LYS A 18 9.143 -2.682 -1.687 1.00 0.00 C ATOM 241 C LYS A 18 8.710 -2.816 -0.225 1.00 0.00 C ATOM 242 O LYS A 18 9.282 -3.604 0.526 1.00 0.00 O ATOM 243 CB LYS A 18 9.823 -1.350 -2.008 1.00 0.00 C ATOM 244 CG LYS A 18 11.344 -1.504 -2.041 1.00 0.00 C ATOM 245 CD LYS A 18 12.038 -0.158 -1.823 1.00 0.00 C ATOM 246 CE LYS A 18 13.327 -0.329 -1.019 1.00 0.00 C ATOM 247 NZ LYS A 18 13.387 0.659 0.082 1.00 0.00 N ATOM 0 H LYS A 18 7.790 -2.113 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 18 9.896 -3.449 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.471 -0.981 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.545 -0.607 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.658 -2.208 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.650 -1.923 -3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.264 0.299 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.366 0.521 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.377 -1.339 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.190 -0.206 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.269 0.529 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.361 1.621 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.574 0.523 0.716 1.00 0.00 H new ATOM 261 N LYS A 19 7.704 -2.033 0.134 1.00 0.00 N ATOM 262 CA LYS A 19 7.188 -2.053 1.492 1.00 0.00 C ATOM 263 C LYS A 19 7.144 -3.498 1.995 1.00 0.00 C ATOM 264 O LYS A 19 7.528 -3.776 3.130 1.00 0.00 O ATOM 265 CB LYS A 19 5.838 -1.336 1.564 1.00 0.00 C ATOM 266 CG LYS A 19 6.017 0.130 1.962 1.00 0.00 C ATOM 267 CD LYS A 19 6.249 0.265 3.468 1.00 0.00 C ATOM 268 CE LYS A 19 7.015 1.549 3.792 1.00 0.00 C ATOM 269 NZ LYS A 19 7.355 1.601 5.232 1.00 0.00 N ATOM 0 H LYS A 19 7.232 -1.380 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 19 7.851 -1.502 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.338 -1.396 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.194 -1.837 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.861 0.557 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.133 0.699 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.291 0.268 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.807 -0.597 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.926 1.596 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.412 2.417 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.875 2.479 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.482 1.578 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.948 0.783 5.478 1.00 0.00 H new ATOM 283 N TYR A 20 6.672 -4.379 1.125 1.00 0.00 N ATOM 284 CA TYR A 20 6.572 -5.788 1.466 1.00 0.00 C ATOM 285 C TYR A 20 7.897 -6.311 2.027 1.00 0.00 C ATOM 286 O TYR A 20 7.942 -6.826 3.143 1.00 0.00 O ATOM 287 CB TYR A 20 6.262 -6.518 0.158 1.00 0.00 C ATOM 288 CG TYR A 20 5.471 -7.814 0.342 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.150 -7.767 0.738 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.079 -9.032 0.111 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.405 -8.987 0.910 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.334 -10.252 0.283 1.00 0.00 C ATOM 293 CZ TYR A 20 4.034 -10.170 0.675 1.00 0.00 C ATOM 294 OH TYR A 20 3.331 -11.323 0.838 1.00 0.00 O ATOM 0 H TYR A 20 6.355 -4.144 0.184 1.00 0.00 H new ATOM 0 HA TYR A 20 5.805 -5.946 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.699 -5.850 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.199 -6.745 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.675 -6.814 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.113 -9.070 -0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.370 -8.963 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.797 -11.211 0.105 1.00 0.00 H new ATOM 0 HH TYR A 20 3.907 -12.089 0.634 1.00 0.00 H new ATOM 304 N GLY A 21 8.942 -6.161 1.226 1.00 0.00 N ATOM 305 CA GLY A 21 10.263 -6.611 1.628 1.00 0.00 C ATOM 306 C GLY A 21 10.513 -6.324 3.109 1.00 0.00 C ATOM 307 O GLY A 21 11.159 -7.112 3.798 1.00 0.00 O ATOM 0 H GLY A 21 8.900 -5.734 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.360 -7.680 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.021 -6.111 1.024 1.00 0.00 H new ATOM 311 N GLU A 22 9.989 -5.192 3.557 1.00 0.00 N ATOM 312 CA GLU A 22 10.148 -4.791 4.944 1.00 0.00 C ATOM 313 C GLU A 22 9.318 -5.695 5.857 1.00 0.00 C ATOM 314 O GLU A 22 9.852 -6.314 6.776 1.00 0.00 O ATOM 315 CB GLU A 22 9.768 -3.321 5.136 1.00 0.00 C ATOM 316 CG GLU A 22 10.554 -2.422 4.180 1.00 0.00 C ATOM 317 CD GLU A 22 10.179 -0.951 4.377 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.765 -0.334 5.293 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.315 -0.478 3.608 1.00 0.00 O ATOM 0 H GLU A 22 9.454 -4.540 2.983 1.00 0.00 H new ATOM 0 HA GLU A 22 11.198 -4.900 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.699 -3.193 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.964 -3.022 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.623 -2.554 4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.354 -2.717 3.150 1.00 0.00 H new ATOM 326 N ALA A 23 8.025 -5.744 5.571 1.00 0.00 N ATOM 327 CA ALA A 23 7.116 -6.563 6.355 1.00 0.00 C ATOM 328 C ALA A 23 7.748 -7.935 6.592 1.00 0.00 C ATOM 329 O ALA A 23 7.585 -8.522 7.661 1.00 0.00 O ATOM 330 CB ALA A 23 5.767 -6.659 5.638 1.00 0.00 C ATOM 0 H ALA A 23 7.585 -5.230 4.807 1.00 0.00 H new ATOM 0 HA ALA A 23 6.936 -6.110 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.085 -7.273 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.346 -5.661 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.908 -7.112 4.656 1.00 0.00 H new ATOM 336 N LEU A 24 8.458 -8.408 5.578 1.00 0.00 N ATOM 337 CA LEU A 24 9.116 -9.701 5.663 1.00 0.00 C ATOM 338 C LEU A 24 10.527 -9.514 6.224 1.00 0.00 C ATOM 339 O LEU A 24 11.069 -10.415 6.863 1.00 0.00 O ATOM 340 CB LEU A 24 9.082 -10.409 4.307 1.00 0.00 C ATOM 341 CG LEU A 24 7.696 -10.616 3.693 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.805 -11.095 2.244 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.853 -11.563 4.548 1.00 0.00 C ATOM 0 H LEU A 24 8.592 -7.919 4.693 1.00 0.00 H new ATOM 0 HA LEU A 24 8.583 -10.356 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.687 -9.835 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.558 -11.383 4.416 1.00 0.00 H new ATOM 0 HG LEU A 24 7.182 -9.655 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.806 -11.235 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.341 -10.351 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.346 -12.041 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.873 -11.693 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.351 -12.530 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.733 -11.142 5.546 1.00 0.00 H new ATOM 355 N GLY A 25 11.081 -8.339 5.966 1.00 0.00 N ATOM 356 CA GLY A 25 12.418 -8.022 6.437 1.00 0.00 C ATOM 357 C GLY A 25 13.449 -8.197 5.320 1.00 0.00 C ATOM 358 O GLY A 25 14.598 -7.780 5.460 1.00 0.00 O ATOM 0 H GLY A 25 10.628 -7.594 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.444 -6.996 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.674 -8.667 7.277 1.00 0.00 H new ATOM 362 N ILE A 26 13.002 -8.815 4.237 1.00 0.00 N ATOM 363 CA ILE A 26 13.871 -9.050 3.097 1.00 0.00 C ATOM 364 C ILE A 26 14.666 -7.778 2.796 1.00 0.00 C ATOM 365 O ILE A 26 14.332 -6.702 3.289 1.00 0.00 O ATOM 366 CB ILE A 26 13.063 -9.567 1.904 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.843 -11.077 2.004 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.721 -9.169 0.582 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.578 -11.498 1.254 1.00 0.00 C ATOM 0 H ILE A 26 12.049 -9.160 4.125 1.00 0.00 H new ATOM 0 HA ILE A 26 14.595 -9.832 3.325 1.00 0.00 H new ATOM 0 HB ILE A 26 12.080 -9.097 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.705 -11.602 1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.763 -11.368 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.127 -9.549 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.781 -8.083 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.725 -9.592 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.445 -12.576 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.714 -10.990 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.672 -11.228 0.202 1.00 0.00 H new ATOM 381 N LYS A 27 15.702 -7.943 1.987 1.00 0.00 N ATOM 382 CA LYS A 27 16.547 -6.821 1.615 1.00 0.00 C ATOM 383 C LYS A 27 16.268 -6.439 0.160 1.00 0.00 C ATOM 384 O LYS A 27 16.355 -5.268 -0.206 1.00 0.00 O ATOM 385 CB LYS A 27 18.017 -7.141 1.895 1.00 0.00 C ATOM 386 CG LYS A 27 18.274 -7.265 3.399 1.00 0.00 C ATOM 387 CD LYS A 27 18.786 -5.944 3.978 1.00 0.00 C ATOM 388 CE LYS A 27 17.745 -5.312 4.904 1.00 0.00 C ATOM 389 NZ LYS A 27 18.380 -4.307 5.787 1.00 0.00 N ATOM 0 H LYS A 27 15.976 -8.837 1.579 1.00 0.00 H new ATOM 0 HA LYS A 27 16.313 -5.949 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.292 -8.071 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.649 -6.357 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.354 -7.556 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.003 -8.054 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.710 -6.118 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.023 -5.255 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.961 -4.841 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.268 -6.085 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.660 -3.887 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.112 -4.766 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.814 -3.561 5.207 1.00 0.00 H new ATOM 403 N TYR A 28 15.939 -7.450 -0.631 1.00 0.00 N ATOM 404 CA TYR A 28 15.647 -7.235 -2.038 1.00 0.00 C ATOM 405 C TYR A 28 14.174 -6.873 -2.243 1.00 0.00 C ATOM 406 O TYR A 28 13.352 -7.075 -1.352 1.00 0.00 O ATOM 407 CB TYR A 28 15.935 -8.565 -2.737 1.00 0.00 C ATOM 408 CG TYR A 28 15.374 -9.786 -2.006 1.00 0.00 C ATOM 409 CD1 TYR A 28 14.064 -10.170 -2.209 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.178 -10.503 -1.144 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.536 -11.320 -1.521 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.650 -11.653 -0.456 1.00 0.00 C ATOM 413 CZ TYR A 28 14.356 -12.005 -0.678 1.00 0.00 C ATOM 414 OH TYR A 28 13.857 -13.090 -0.028 1.00 0.00 O ATOM 0 H TYR A 28 15.868 -8.420 -0.324 1.00 0.00 H new ATOM 0 HA TYR A 28 16.248 -6.416 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.517 -8.533 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.013 -8.682 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.435 -9.608 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.203 -10.202 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.513 -11.632 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.269 -12.223 0.221 1.00 0.00 H new ATOM 0 HH TYR A 28 14.457 -13.336 0.707 1.00 0.00 H new ATOM 424 N PRO A 29 13.879 -6.330 -3.455 1.00 0.00 N ATOM 425 CA PRO A 29 12.520 -5.938 -3.788 1.00 0.00 C ATOM 426 C PRO A 29 11.654 -7.163 -4.088 1.00 0.00 C ATOM 427 O PRO A 29 11.925 -7.903 -5.032 1.00 0.00 O ATOM 428 CB PRO A 29 12.661 -5.004 -4.980 1.00 0.00 C ATOM 429 CG PRO A 29 14.041 -5.273 -5.558 1.00 0.00 C ATOM 430 CD PRO A 29 14.828 -6.075 -4.535 1.00 0.00 C ATOM 0 HA PRO A 29 12.013 -5.437 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.884 -5.195 -5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.562 -3.962 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.961 -5.824 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.550 -4.336 -5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.201 -7.006 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.695 -5.519 -4.178 1.00 0.00 H new ATOM 438 N VAL A 30 10.630 -7.339 -3.266 1.00 0.00 N ATOM 439 CA VAL A 30 9.723 -8.462 -3.431 1.00 0.00 C ATOM 440 C VAL A 30 8.384 -7.955 -3.971 1.00 0.00 C ATOM 441 O VAL A 30 8.072 -6.770 -3.855 1.00 0.00 O ATOM 442 CB VAL A 30 9.585 -9.222 -2.110 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.882 -10.564 -2.321 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.949 -9.416 -1.444 1.00 0.00 C ATOM 0 H VAL A 30 10.408 -6.723 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 30 10.120 -9.170 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 30 8.968 -8.622 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.797 -11.084 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.887 -10.393 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.461 -11.173 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.823 -9.959 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.600 -9.985 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.397 -8.443 -1.242 1.00 0.00 H new ATOM 454 N GLN A 31 7.628 -8.877 -4.549 1.00 0.00 N ATOM 455 CA GLN A 31 6.330 -8.538 -5.108 1.00 0.00 C ATOM 456 C GLN A 31 5.217 -8.901 -4.122 1.00 0.00 C ATOM 457 O GLN A 31 5.343 -9.862 -3.365 1.00 0.00 O ATOM 458 CB GLN A 31 6.116 -9.229 -6.456 1.00 0.00 C ATOM 459 CG GLN A 31 6.718 -8.405 -7.596 1.00 0.00 C ATOM 460 CD GLN A 31 5.720 -8.248 -8.745 1.00 0.00 C ATOM 461 OE1 GLN A 31 4.785 -7.467 -8.687 1.00 0.00 O ATOM 462 NE2 GLN A 31 5.969 -9.034 -9.789 1.00 0.00 N ATOM 0 H GLN A 31 7.889 -9.859 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 31 6.300 -7.462 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.572 -10.219 -6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.050 -9.373 -6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.009 -7.422 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.624 -8.889 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.770 -9.666 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.359 -9.005 -10.606 1.00 0.00 H new ATOM 471 N VAL A 32 4.153 -8.113 -4.165 1.00 0.00 N ATOM 472 CA VAL A 32 3.019 -8.339 -3.285 1.00 0.00 C ATOM 473 C VAL A 32 2.038 -9.299 -3.961 1.00 0.00 C ATOM 474 O VAL A 32 1.758 -9.169 -5.152 1.00 0.00 O ATOM 475 CB VAL A 32 2.380 -7.004 -2.901 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.046 -7.220 -2.183 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.332 -6.166 -2.046 1.00 0.00 C ATOM 0 H VAL A 32 4.052 -7.317 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 32 3.344 -8.807 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 32 2.181 -6.453 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.613 -6.254 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.362 -7.758 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.211 -7.802 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.853 -5.222 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.577 -6.711 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.245 -5.967 -2.607 1.00 0.00 H new ATOM 487 N PRO A 33 1.530 -10.267 -3.152 1.00 0.00 N ATOM 488 CA PRO A 33 0.586 -11.248 -3.660 1.00 0.00 C ATOM 489 C PRO A 33 -0.800 -10.629 -3.848 1.00 0.00 C ATOM 490 O PRO A 33 -1.716 -10.902 -3.074 1.00 0.00 O ATOM 491 CB PRO A 33 0.600 -12.373 -2.638 1.00 0.00 C ATOM 492 CG PRO A 33 1.194 -11.779 -1.372 1.00 0.00 C ATOM 493 CD PRO A 33 1.839 -10.452 -1.737 1.00 0.00 C ATOM 0 HA PRO A 33 0.858 -11.621 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.407 -12.749 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.196 -13.214 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.419 -11.632 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.932 -12.457 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.438 -9.637 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.915 -10.475 -1.566 1.00 0.00 H new ATOM 501 N TYR A 34 -0.911 -9.807 -4.881 1.00 0.00 N ATOM 502 CA TYR A 34 -2.170 -9.147 -5.181 1.00 0.00 C ATOM 503 C TYR A 34 -3.302 -10.166 -5.330 1.00 0.00 C ATOM 504 O TYR A 34 -4.440 -9.895 -4.952 1.00 0.00 O ATOM 505 CB TYR A 34 -1.964 -8.432 -6.518 1.00 0.00 C ATOM 506 CG TYR A 34 -0.733 -7.524 -6.555 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.577 -6.535 -5.606 1.00 0.00 C ATOM 508 CD2 TYR A 34 0.220 -7.694 -7.538 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.582 -5.681 -5.640 1.00 0.00 C ATOM 510 CE2 TYR A 34 1.379 -6.840 -7.573 1.00 0.00 C ATOM 511 CZ TYR A 34 1.502 -5.875 -6.623 1.00 0.00 C ATOM 512 OH TYR A 34 2.596 -5.068 -6.655 1.00 0.00 O ATOM 0 H TYR A 34 -0.149 -9.583 -5.521 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.444 -8.462 -4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.876 -9.178 -7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.849 -7.836 -6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.324 -6.401 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.097 -8.468 -8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.718 -4.904 -4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.133 -6.963 -8.336 1.00 0.00 H new ATOM 0 HH TYR A 34 3.254 -5.383 -6.001 1.00 0.00 H new ATOM 522 N LYS A 35 -2.949 -11.317 -5.883 1.00 0.00 N ATOM 523 CA LYS A 35 -3.920 -12.379 -6.087 1.00 0.00 C ATOM 524 C LYS A 35 -4.393 -12.899 -4.728 1.00 0.00 C ATOM 525 O LYS A 35 -5.572 -12.796 -4.396 1.00 0.00 O ATOM 526 CB LYS A 35 -3.343 -13.466 -6.996 1.00 0.00 C ATOM 527 CG LYS A 35 -3.937 -13.377 -8.403 1.00 0.00 C ATOM 528 CD LYS A 35 -3.156 -12.383 -9.266 1.00 0.00 C ATOM 529 CE LYS A 35 -2.483 -13.091 -10.443 1.00 0.00 C ATOM 530 NZ LYS A 35 -3.018 -12.584 -11.727 1.00 0.00 N ATOM 0 H LYS A 35 -2.004 -11.538 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.799 -11.997 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.259 -13.364 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.551 -14.448 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.921 -14.361 -8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.981 -13.069 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.830 -11.611 -9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.402 -11.882 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.405 -12.932 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.649 -14.166 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.551 -13.075 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.042 -12.758 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.837 -11.562 -11.799 1.00 0.00 H new ATOM 544 N ARG A 36 -3.448 -13.449 -3.979 1.00 0.00 N ATOM 545 CA ARG A 36 -3.753 -13.986 -2.664 1.00 0.00 C ATOM 546 C ARG A 36 -4.380 -12.905 -1.782 1.00 0.00 C ATOM 547 O ARG A 36 -5.145 -13.211 -0.869 1.00 0.00 O ATOM 548 CB ARG A 36 -2.492 -14.523 -1.983 1.00 0.00 C ATOM 549 CG ARG A 36 -1.613 -15.283 -2.977 1.00 0.00 C ATOM 550 CD ARG A 36 -1.054 -16.561 -2.349 1.00 0.00 C ATOM 551 NE ARG A 36 0.013 -17.123 -3.208 1.00 0.00 N ATOM 552 CZ ARG A 36 0.728 -18.214 -2.902 1.00 0.00 C ATOM 553 NH1 ARG A 36 0.495 -18.867 -1.755 1.00 0.00 N ATOM 554 NH2 ARG A 36 1.676 -18.651 -3.741 1.00 0.00 N ATOM 0 H ARG A 36 -2.471 -13.534 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.459 -14.806 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.928 -13.696 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.771 -15.182 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.194 -15.534 -3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.792 -14.645 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.657 -16.345 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.852 -17.292 -2.221 1.00 0.00 H new ATOM 0 HE ARG A 36 0.217 -16.650 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.226 -18.533 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.039 -19.698 -1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.854 -18.153 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.220 -19.482 -3.508 1.00 0.00 H new ATOM 568 N ILE A 37 -4.034 -11.663 -2.086 1.00 0.00 N ATOM 569 CA ILE A 37 -4.553 -10.535 -1.331 1.00 0.00 C ATOM 570 C ILE A 37 -5.989 -10.248 -1.776 1.00 0.00 C ATOM 571 O ILE A 37 -6.758 -9.629 -1.042 1.00 0.00 O ATOM 572 CB ILE A 37 -3.618 -9.330 -1.456 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.434 -9.454 -0.495 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.383 -8.020 -1.257 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.440 -8.309 -0.700 1.00 0.00 C ATOM 0 H ILE A 37 -3.400 -11.413 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.589 -10.772 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.212 -9.315 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.794 -9.448 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.932 -10.409 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.696 -7.179 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.164 -7.936 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.835 -8.010 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.608 -8.421 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.064 -8.332 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.939 -7.357 -0.519 1.00 0.00 H new ATOM 587 N LYS A 38 -6.306 -10.711 -2.976 1.00 0.00 N ATOM 588 CA LYS A 38 -7.636 -10.511 -3.528 1.00 0.00 C ATOM 589 C LYS A 38 -8.576 -11.588 -2.983 1.00 0.00 C ATOM 590 O LYS A 38 -9.611 -11.275 -2.397 1.00 0.00 O ATOM 591 CB LYS A 38 -7.580 -10.459 -5.056 1.00 0.00 C ATOM 592 CG LYS A 38 -7.490 -9.015 -5.553 1.00 0.00 C ATOM 593 CD LYS A 38 -8.825 -8.553 -6.139 1.00 0.00 C ATOM 594 CE LYS A 38 -8.624 -7.886 -7.502 1.00 0.00 C ATOM 595 NZ LYS A 38 -9.891 -7.881 -8.268 1.00 0.00 N ATOM 0 H LYS A 38 -5.665 -11.224 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.038 -9.548 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.718 -11.024 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.467 -10.936 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.204 -8.360 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.709 -8.935 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.495 -9.406 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.304 -7.853 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.271 -6.864 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.855 -8.416 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.737 -7.425 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.212 -8.859 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.615 -7.355 -7.738 1.00 0.00 H new ATOM 609 N SER A 39 -8.182 -12.835 -3.196 1.00 0.00 N ATOM 610 CA SER A 39 -8.977 -13.961 -2.734 1.00 0.00 C ATOM 611 C SER A 39 -9.112 -13.915 -1.211 1.00 0.00 C ATOM 612 O SER A 39 -10.189 -14.165 -0.672 1.00 0.00 O ATOM 613 CB SER A 39 -8.358 -15.289 -3.172 1.00 0.00 C ATOM 614 OG SER A 39 -9.299 -16.358 -3.126 1.00 0.00 O ATOM 0 H SER A 39 -7.323 -13.091 -3.682 1.00 0.00 H new ATOM 0 HA SER A 39 -9.968 -13.888 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.970 -15.191 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.511 -15.524 -2.528 1.00 0.00 H new ATOM 0 HG SER A 39 -8.865 -17.188 -3.415 1.00 0.00 H new ATOM 620 N ASN A 40 -8.004 -13.593 -0.559 1.00 0.00 N ATOM 621 CA ASN A 40 -7.985 -13.512 0.891 1.00 0.00 C ATOM 622 C ASN A 40 -7.590 -12.095 1.313 1.00 0.00 C ATOM 623 O ASN A 40 -6.461 -11.667 1.082 1.00 0.00 O ATOM 624 CB ASN A 40 -6.963 -14.484 1.484 1.00 0.00 C ATOM 625 CG ASN A 40 -7.636 -15.785 1.927 1.00 0.00 C ATOM 626 OD1 ASN A 40 -8.846 -15.876 2.054 1.00 0.00 O ATOM 627 ND2 ASN A 40 -6.787 -16.783 2.155 1.00 0.00 N ATOM 0 H ASN A 40 -7.113 -13.385 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.980 -13.768 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.192 -14.703 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.466 -14.020 2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.138 -17.692 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.785 -16.639 2.029 1.00 0.00 H new ATOM 634 N PRO A 41 -8.569 -11.389 1.940 1.00 0.00 N ATOM 635 CA PRO A 41 -8.334 -10.029 2.396 1.00 0.00 C ATOM 636 C PRO A 41 -7.468 -10.015 3.657 1.00 0.00 C ATOM 637 O PRO A 41 -6.789 -9.029 3.937 1.00 0.00 O ATOM 638 CB PRO A 41 -9.720 -9.446 2.621 1.00 0.00 C ATOM 639 CG PRO A 41 -10.660 -10.635 2.730 1.00 0.00 C ATOM 640 CD PRO A 41 -9.918 -11.863 2.230 1.00 0.00 C ATOM 0 HA PRO A 41 -7.777 -9.433 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.747 -8.842 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.008 -8.795 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.979 -10.776 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.560 -10.466 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.907 -12.652 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.392 -12.277 1.340 1.00 0.00 H new ATOM 648 N GLY A 42 -7.521 -11.122 4.385 1.00 0.00 N ATOM 649 CA GLY A 42 -6.749 -11.249 5.609 1.00 0.00 C ATOM 650 C GLY A 42 -5.334 -11.753 5.316 1.00 0.00 C ATOM 651 O GLY A 42 -4.846 -12.664 5.982 1.00 0.00 O ATOM 0 H GLY A 42 -8.086 -11.938 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.698 -10.284 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.250 -11.937 6.289 1.00 0.00 H new ATOM 655 N SER A 43 -4.716 -11.137 4.319 1.00 0.00 N ATOM 656 CA SER A 43 -3.367 -11.511 3.930 1.00 0.00 C ATOM 657 C SER A 43 -2.368 -10.468 4.435 1.00 0.00 C ATOM 658 O SER A 43 -1.649 -10.710 5.403 1.00 0.00 O ATOM 659 CB SER A 43 -3.254 -11.663 2.412 1.00 0.00 C ATOM 660 OG SER A 43 -3.992 -12.783 1.931 1.00 0.00 O ATOM 0 H SER A 43 -5.125 -10.381 3.769 1.00 0.00 H new ATOM 0 HA SER A 43 -3.135 -12.475 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.616 -10.756 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.205 -11.774 2.136 1.00 0.00 H new ATOM 0 HG SER A 43 -4.871 -12.485 1.615 1.00 0.00 H new ATOM 666 N VAL A 44 -2.356 -9.330 3.756 1.00 0.00 N ATOM 667 CA VAL A 44 -1.457 -8.250 4.124 1.00 0.00 C ATOM 668 C VAL A 44 -2.278 -7.022 4.522 1.00 0.00 C ATOM 669 O VAL A 44 -3.065 -6.512 3.725 1.00 0.00 O ATOM 670 CB VAL A 44 -0.480 -7.970 2.980 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.143 -6.579 3.119 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.601 -9.050 2.906 1.00 0.00 C ATOM 0 H VAL A 44 -2.954 -9.133 2.954 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.854 -8.532 4.987 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.042 -7.994 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.833 -6.405 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.643 -5.824 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.683 -6.515 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.282 -8.827 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.157 -9.073 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.135 -10.021 2.737 1.00 0.00 H new ATOM 682 N ILE A 45 -2.068 -6.583 5.754 1.00 0.00 N ATOM 683 CA ILE A 45 -2.779 -5.425 6.268 1.00 0.00 C ATOM 684 C ILE A 45 -1.996 -4.157 5.924 1.00 0.00 C ATOM 685 O ILE A 45 -0.802 -4.065 6.204 1.00 0.00 O ATOM 686 CB ILE A 45 -3.059 -5.588 7.763 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.195 -7.065 8.138 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.286 -4.775 8.183 1.00 0.00 C ATOM 689 CD1 ILE A 45 -4.009 -7.824 7.088 1.00 0.00 C ATOM 0 H ILE A 45 -1.415 -7.009 6.412 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.756 -5.336 5.792 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.206 -5.193 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.206 -7.513 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.677 -7.154 9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.463 -4.908 9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.112 -3.720 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.158 -5.117 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.091 -8.871 7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.006 -7.389 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.511 -7.753 6.121 1.00 0.00 H new ATOM 701 N ILE A 46 -2.700 -3.210 5.321 1.00 0.00 N ATOM 702 CA ILE A 46 -2.085 -1.951 4.936 1.00 0.00 C ATOM 703 C ILE A 46 -2.706 -0.815 5.751 1.00 0.00 C ATOM 704 O ILE A 46 -3.909 -0.572 5.668 1.00 0.00 O ATOM 705 CB ILE A 46 -2.185 -1.747 3.422 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.161 -2.613 2.684 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.052 -0.267 3.058 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.225 -2.370 1.175 1.00 0.00 C ATOM 0 H ILE A 46 -3.690 -3.289 5.090 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.019 -1.962 5.164 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.174 -2.070 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.159 -2.389 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.350 -3.666 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.127 -0.150 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.849 0.299 3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.086 0.106 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.488 -2.997 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.221 -2.618 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.012 -1.322 0.966 1.00 0.00 H new ATOM 720 N GLU A 47 -1.857 -0.149 6.520 1.00 0.00 N ATOM 721 CA GLU A 47 -2.307 0.956 7.350 1.00 0.00 C ATOM 722 C GLU A 47 -1.351 2.143 7.217 1.00 0.00 C ATOM 723 O GLU A 47 -0.231 1.992 6.731 1.00 0.00 O ATOM 724 CB GLU A 47 -2.445 0.524 8.811 1.00 0.00 C ATOM 725 CG GLU A 47 -3.853 -0.003 9.096 1.00 0.00 C ATOM 726 CD GLU A 47 -4.680 1.031 9.864 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.285 1.336 11.009 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.688 1.492 9.287 1.00 0.00 O ATOM 0 H GLU A 47 -0.860 -0.353 6.586 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.292 1.267 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.711 -0.249 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.229 1.368 9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.351 -0.248 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.790 -0.925 9.673 1.00 0.00 H new ATOM 735 N GLY A 48 -1.828 3.298 7.658 1.00 0.00 N ATOM 736 CA GLY A 48 -1.029 4.510 7.594 1.00 0.00 C ATOM 737 C GLY A 48 -1.336 5.303 6.322 1.00 0.00 C ATOM 738 O GLY A 48 -0.909 6.448 6.182 1.00 0.00 O ATOM 0 H GLY A 48 -2.757 3.420 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.229 5.128 8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.030 4.253 7.620 1.00 0.00 H new ATOM 742 N LEU A 49 -2.074 4.662 5.427 1.00 0.00 N ATOM 743 CA LEU A 49 -2.443 5.293 4.171 1.00 0.00 C ATOM 744 C LEU A 49 -2.993 6.693 4.451 1.00 0.00 C ATOM 745 O LEU A 49 -3.334 7.014 5.589 1.00 0.00 O ATOM 746 CB LEU A 49 -3.404 4.400 3.385 1.00 0.00 C ATOM 747 CG LEU A 49 -2.758 3.409 2.415 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.789 2.413 1.881 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.032 4.143 1.285 1.00 0.00 C ATOM 0 H LEU A 49 -2.426 3.712 5.547 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.567 5.416 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.011 3.839 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.083 5.039 2.821 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.009 2.835 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.304 1.720 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.222 1.856 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.578 2.952 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.581 3.416 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.744 4.758 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.253 4.779 1.706 1.00 0.00 H new ATOM 761 N PRO A 50 -3.065 7.510 3.366 1.00 0.00 N ATOM 762 CA PRO A 50 -3.568 8.868 3.484 1.00 0.00 C ATOM 763 C PRO A 50 -5.091 8.877 3.635 1.00 0.00 C ATOM 764 O PRO A 50 -5.743 7.852 3.446 1.00 0.00 O ATOM 765 CB PRO A 50 -3.092 9.574 2.225 1.00 0.00 C ATOM 766 CG PRO A 50 -2.742 8.474 1.236 1.00 0.00 C ATOM 767 CD PRO A 50 -2.671 7.163 2.004 1.00 0.00 C ATOM 0 HA PRO A 50 -3.199 9.378 4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.869 10.226 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.226 10.202 2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.493 8.415 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.789 8.685 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.340 6.417 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.666 6.742 1.977 1.00 0.00 H new ATOM 775 N PRO A 51 -5.626 10.078 3.983 1.00 0.00 N ATOM 776 CA PRO A 51 -7.060 10.234 4.162 1.00 0.00 C ATOM 777 C PRO A 51 -7.780 10.265 2.812 1.00 0.00 C ATOM 778 O PRO A 51 -7.475 11.099 1.961 1.00 0.00 O ATOM 779 CB PRO A 51 -7.220 11.524 4.950 1.00 0.00 C ATOM 780 CG PRO A 51 -5.911 12.280 4.783 1.00 0.00 C ATOM 781 CD PRO A 51 -4.884 11.313 4.215 1.00 0.00 C ATOM 0 HA PRO A 51 -7.511 9.398 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.060 12.109 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.420 11.317 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.044 13.131 4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.574 12.676 5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.450 11.694 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.061 11.155 4.912 1.00 0.00 H new ATOM 789 N GLY A 52 -8.723 9.347 2.660 1.00 0.00 N ATOM 790 CA GLY A 52 -9.489 9.258 1.428 1.00 0.00 C ATOM 791 C GLY A 52 -8.962 8.134 0.534 1.00 0.00 C ATOM 792 O GLY A 52 -9.555 7.830 -0.500 1.00 0.00 O ATOM 0 H GLY A 52 -8.974 8.658 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.539 9.080 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.437 10.207 0.894 1.00 0.00 H new ATOM 796 N ILE A 53 -7.855 7.549 0.965 1.00 0.00 N ATOM 797 CA ILE A 53 -7.241 6.465 0.216 1.00 0.00 C ATOM 798 C ILE A 53 -7.197 5.209 1.088 1.00 0.00 C ATOM 799 O ILE A 53 -6.317 5.069 1.936 1.00 0.00 O ATOM 800 CB ILE A 53 -5.872 6.891 -0.319 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.943 8.277 -0.964 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.307 5.841 -1.277 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.588 8.677 -1.553 1.00 0.00 C ATOM 0 H ILE A 53 -7.367 7.805 1.823 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.839 6.223 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.183 6.962 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.700 8.279 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.252 9.012 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.334 6.168 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.197 4.892 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.987 5.714 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.665 9.666 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.839 8.698 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.293 7.953 -2.312 1.00 0.00 H new ATOM 815 N PRO A 54 -8.182 4.305 0.844 1.00 0.00 N ATOM 816 CA PRO A 54 -8.264 3.065 1.598 1.00 0.00 C ATOM 817 C PRO A 54 -7.193 2.073 1.139 1.00 0.00 C ATOM 818 O PRO A 54 -6.507 2.310 0.146 1.00 0.00 O ATOM 819 CB PRO A 54 -9.679 2.558 1.370 1.00 0.00 C ATOM 820 CG PRO A 54 -10.186 3.281 0.132 1.00 0.00 C ATOM 821 CD PRO A 54 -9.241 4.437 -0.152 1.00 0.00 C ATOM 0 HA PRO A 54 -8.072 3.206 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.688 1.478 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.313 2.768 2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.224 2.601 -0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.200 3.647 0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.841 4.382 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.751 5.396 -0.063 1.00 0.00 H new ATOM 829 N PHE A 55 -7.083 0.984 1.885 1.00 0.00 N ATOM 830 CA PHE A 55 -6.107 -0.045 1.568 1.00 0.00 C ATOM 831 C PHE A 55 -6.568 -0.891 0.379 1.00 0.00 C ATOM 832 O PHE A 55 -7.173 -1.946 0.561 1.00 0.00 O ATOM 833 CB PHE A 55 -5.986 -0.943 2.801 1.00 0.00 C ATOM 834 CG PHE A 55 -5.518 -2.366 2.492 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.703 -2.597 1.427 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.915 -3.399 3.281 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.268 -3.918 1.140 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.480 -4.720 2.993 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.666 -4.952 1.929 1.00 0.00 C ATOM 0 H PHE A 55 -7.654 0.792 2.708 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.155 0.415 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.288 -0.487 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.954 -0.990 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.387 -1.776 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.561 -3.215 4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.621 -4.102 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.796 -5.541 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.336 -5.957 1.710 1.00 0.00 H new ATOM 849 N ARG A 56 -6.264 -0.396 -0.811 1.00 0.00 N ATOM 850 CA ARG A 56 -6.639 -1.093 -2.030 1.00 0.00 C ATOM 851 C ARG A 56 -5.564 -0.905 -3.102 1.00 0.00 C ATOM 852 O ARG A 56 -4.561 -0.232 -2.869 1.00 0.00 O ATOM 853 CB ARG A 56 -7.979 -0.582 -2.565 1.00 0.00 C ATOM 854 CG ARG A 56 -9.147 -1.169 -1.770 1.00 0.00 C ATOM 855 CD ARG A 56 -10.037 -2.036 -2.662 1.00 0.00 C ATOM 856 NE ARG A 56 -11.402 -2.112 -2.094 1.00 0.00 N ATOM 857 CZ ARG A 56 -12.364 -1.210 -2.329 1.00 0.00 C ATOM 858 NH1 ARG A 56 -12.117 -0.158 -3.121 1.00 0.00 N ATOM 859 NH2 ARG A 56 -13.573 -1.360 -1.771 1.00 0.00 N ATOM 0 H ARG A 56 -5.762 0.480 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.735 -2.152 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.006 0.506 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.080 -0.849 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.764 -1.766 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.737 -0.362 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.075 -1.618 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.614 -3.037 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.624 -2.900 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.196 -0.044 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.850 0.529 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.760 -2.161 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.306 -0.673 -1.950 1.00 0.00 H new ATOM 873 N LYS A 57 -5.810 -1.512 -4.254 1.00 0.00 N ATOM 874 CA LYS A 57 -4.875 -1.420 -5.362 1.00 0.00 C ATOM 875 C LYS A 57 -4.519 0.049 -5.603 1.00 0.00 C ATOM 876 O LYS A 57 -5.375 0.925 -5.493 1.00 0.00 O ATOM 877 CB LYS A 57 -5.438 -2.126 -6.597 1.00 0.00 C ATOM 878 CG LYS A 57 -4.660 -3.410 -6.896 1.00 0.00 C ATOM 879 CD LYS A 57 -5.221 -4.115 -8.133 1.00 0.00 C ATOM 880 CE LYS A 57 -4.105 -4.792 -8.931 1.00 0.00 C ATOM 881 NZ LYS A 57 -4.602 -5.219 -10.258 1.00 0.00 N ATOM 0 H LYS A 57 -6.643 -2.069 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.947 -1.938 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.490 -2.363 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.388 -1.458 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.608 -3.174 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.711 -4.079 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.958 -4.858 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.738 -3.393 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.269 -4.104 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.729 -5.655 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.832 -5.677 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.385 -5.892 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.939 -4.389 -10.786 1.00 0.00 H new ATOM 895 N PRO A 58 -3.220 0.278 -5.934 1.00 0.00 N ATOM 896 CA PRO A 58 -2.740 1.625 -6.191 1.00 0.00 C ATOM 897 C PRO A 58 -3.213 2.125 -7.558 1.00 0.00 C ATOM 898 O PRO A 58 -3.821 3.189 -7.657 1.00 0.00 O ATOM 899 CB PRO A 58 -1.226 1.530 -6.085 1.00 0.00 C ATOM 900 CG PRO A 58 -0.890 0.055 -6.234 1.00 0.00 C ATOM 901 CD PRO A 58 -2.178 -0.735 -6.073 1.00 0.00 C ATOM 0 HA PRO A 58 -3.131 2.353 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.742 2.121 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.876 1.915 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.443 -0.138 -7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.160 -0.248 -5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.361 -1.375 -6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.138 -1.384 -5.198 1.00 0.00 H new ATOM 909 N CYS A 59 -2.916 1.332 -8.577 1.00 0.00 N ATOM 910 CA CYS A 59 -3.304 1.680 -9.934 1.00 0.00 C ATOM 911 C CYS A 59 -4.809 1.956 -9.947 1.00 0.00 C ATOM 912 O CYS A 59 -5.299 2.702 -10.794 1.00 0.00 O ATOM 913 CB CYS A 59 -2.915 0.587 -10.931 1.00 0.00 C ATOM 914 SG CYS A 59 -3.726 -0.990 -10.480 1.00 0.00 S ATOM 0 H CYS A 59 -2.411 0.450 -8.491 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.769 2.575 -10.250 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.209 0.881 -11.939 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.833 0.459 -10.939 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.391 -1.910 -11.335 1.00 0.00 H new ATOM 920 N THR A 60 -5.500 1.340 -9.000 1.00 0.00 N ATOM 921 CA THR A 60 -6.939 1.509 -8.892 1.00 0.00 C ATOM 922 C THR A 60 -7.276 2.936 -8.454 1.00 0.00 C ATOM 923 O THR A 60 -8.428 3.359 -8.538 1.00 0.00 O ATOM 924 CB THR A 60 -7.471 0.439 -7.938 1.00 0.00 C ATOM 925 OG1 THR A 60 -7.770 -0.666 -8.787 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.823 0.817 -7.329 1.00 0.00 C ATOM 0 H THR A 60 -5.090 0.722 -8.300 1.00 0.00 H new ATOM 0 HA THR A 60 -7.427 1.375 -9.857 1.00 0.00 H new ATOM 0 HB THR A 60 -6.747 0.273 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.120 -1.407 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.155 0.023 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.722 1.746 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.556 0.951 -8.125 1.00 0.00 H new ATOM 934 N PHE A 61 -6.250 3.639 -7.997 1.00 0.00 N ATOM 935 CA PHE A 61 -6.424 5.009 -7.545 1.00 0.00 C ATOM 936 C PHE A 61 -5.869 5.999 -8.572 1.00 0.00 C ATOM 937 O PHE A 61 -4.862 5.725 -9.222 1.00 0.00 O ATOM 938 CB PHE A 61 -5.638 5.153 -6.240 1.00 0.00 C ATOM 939 CG PHE A 61 -6.241 4.383 -5.063 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.577 4.455 -4.816 1.00 0.00 C ATOM 941 CD2 PHE A 61 -5.442 3.627 -4.264 1.00 0.00 C ATOM 942 CE1 PHE A 61 -8.136 3.741 -3.724 1.00 0.00 C ATOM 943 CE2 PHE A 61 -6.001 2.913 -3.171 1.00 0.00 C ATOM 944 CZ PHE A 61 -7.337 2.985 -2.925 1.00 0.00 C ATOM 0 H PHE A 61 -5.296 3.286 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.484 5.224 -7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.617 4.807 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.579 6.209 -5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.212 5.055 -5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.382 3.569 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -9.196 3.798 -3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.366 2.313 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.763 2.441 -2.095 1.00 0.00 H new ATOM 954 N GLY A 62 -6.551 7.129 -8.686 1.00 0.00 N ATOM 955 CA GLY A 62 -6.140 8.160 -9.622 1.00 0.00 C ATOM 956 C GLY A 62 -4.763 8.718 -9.253 1.00 0.00 C ATOM 957 O GLY A 62 -4.304 8.551 -8.125 1.00 0.00 O ATOM 0 H GLY A 62 -7.386 7.353 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.112 7.750 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.874 8.966 -9.626 1.00 0.00 H new ATOM 961 N SER A 63 -4.144 9.370 -10.227 1.00 0.00 N ATOM 962 CA SER A 63 -2.830 9.953 -10.019 1.00 0.00 C ATOM 963 C SER A 63 -2.812 10.751 -8.714 1.00 0.00 C ATOM 964 O SER A 63 -1.921 10.572 -7.884 1.00 0.00 O ATOM 965 CB SER A 63 -2.432 10.848 -11.194 1.00 0.00 C ATOM 966 OG SER A 63 -3.412 11.848 -11.459 1.00 0.00 O ATOM 0 H SER A 63 -4.529 9.507 -11.162 1.00 0.00 H new ATOM 0 HA SER A 63 -2.104 9.143 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.476 11.325 -10.979 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.289 10.235 -12.084 1.00 0.00 H new ATOM 0 HG SER A 63 -3.120 12.400 -12.215 1.00 0.00 H new ATOM 972 N GLN A 64 -3.806 11.615 -8.572 1.00 0.00 N ATOM 973 CA GLN A 64 -3.916 12.442 -7.382 1.00 0.00 C ATOM 974 C GLN A 64 -3.810 11.577 -6.124 1.00 0.00 C ATOM 975 O GLN A 64 -3.009 11.863 -5.236 1.00 0.00 O ATOM 976 CB GLN A 64 -5.219 13.243 -7.389 1.00 0.00 C ATOM 977 CG GLN A 64 -4.956 14.722 -7.101 1.00 0.00 C ATOM 978 CD GLN A 64 -5.459 15.602 -8.247 1.00 0.00 C ATOM 979 OE1 GLN A 64 -6.537 15.410 -8.784 1.00 0.00 O ATOM 980 NE2 GLN A 64 -4.620 16.576 -8.589 1.00 0.00 N ATOM 0 H GLN A 64 -4.543 11.761 -9.262 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.091 13.154 -7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.709 13.139 -8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.902 12.839 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.451 15.009 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.888 14.883 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.732 16.681 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.864 17.218 -9.343 1.00 0.00 H new ATOM 989 N ASN A 65 -4.630 10.537 -6.089 1.00 0.00 N ATOM 990 CA ASN A 65 -4.639 9.629 -4.955 1.00 0.00 C ATOM 991 C ASN A 65 -3.248 9.016 -4.787 1.00 0.00 C ATOM 992 O ASN A 65 -2.783 8.819 -3.665 1.00 0.00 O ATOM 993 CB ASN A 65 -5.636 8.489 -5.170 1.00 0.00 C ATOM 994 CG ASN A 65 -7.051 8.916 -4.774 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.338 9.221 -3.628 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.917 8.919 -5.784 1.00 0.00 N ATOM 0 H ASN A 65 -5.293 10.303 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.927 10.197 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.624 8.183 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.336 7.622 -4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.888 9.188 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.610 8.652 -6.720 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.621 8.731 -5.919 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.292 8.144 -5.912 1.00 0.00 C ATOM 1005 C LEU A 66 -0.307 9.131 -5.282 1.00 0.00 C ATOM 1006 O LEU A 66 0.278 8.848 -4.238 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.897 7.695 -7.320 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.733 6.563 -7.922 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.423 6.384 -9.410 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.542 5.264 -7.137 1.00 0.00 C ATOM 0 H LEU A 66 -3.009 8.896 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.277 7.243 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.956 8.557 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.146 7.379 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.785 6.836 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.030 5.574 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.650 7.307 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.367 6.143 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.147 4.476 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.491 4.974 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.851 5.415 -6.103 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.153 10.268 -5.945 1.00 0.00 N ATOM 1023 CA GLU A 67 0.751 11.298 -5.463 1.00 0.00 C ATOM 1024 C GLU A 67 0.711 11.367 -3.935 1.00 0.00 C ATOM 1025 O GLU A 67 1.719 11.670 -3.297 1.00 0.00 O ATOM 1026 CB GLU A 67 0.415 12.656 -6.082 1.00 0.00 C ATOM 1027 CG GLU A 67 1.455 13.052 -7.132 1.00 0.00 C ATOM 1028 CD GLU A 67 1.813 14.536 -7.017 1.00 0.00 C ATOM 1029 OE1 GLU A 67 1.851 15.023 -5.867 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.039 15.149 -8.083 1.00 0.00 O ATOM 0 H GLU A 67 -0.639 10.498 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 67 1.764 11.037 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.573 12.616 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.374 13.415 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.353 12.447 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.068 12.844 -8.129 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.463 11.082 -3.392 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.648 11.108 -1.951 1.00 0.00 C ATOM 1039 C ARG A 68 0.026 9.894 -1.308 1.00 0.00 C ATOM 1040 O ARG A 68 0.845 10.042 -0.402 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.133 11.111 -1.586 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.826 12.366 -2.119 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.343 12.271 -1.945 1.00 0.00 C ATOM 1044 NE ARG A 68 -4.724 12.700 -0.581 1.00 0.00 N ATOM 1045 CZ ARG A 68 -4.851 13.980 -0.204 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -4.627 14.963 -1.086 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -5.200 14.276 1.055 1.00 0.00 N ATOM 0 H ARG A 68 -1.296 10.832 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.192 12.024 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.614 10.223 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.245 11.062 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.450 13.244 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.585 12.499 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.842 12.897 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.674 11.247 -2.119 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.901 11.976 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.360 14.737 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.724 15.937 -0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.369 13.527 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.297 15.250 1.342 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.344 8.721 -1.801 1.00 0.00 N ATOM 1062 CA ILE A 69 0.215 7.483 -1.286 1.00 0.00 C ATOM 1063 C ILE A 69 1.732 7.629 -1.151 1.00 0.00 C ATOM 1064 O ILE A 69 2.264 7.618 -0.042 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.214 6.299 -2.155 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.649 5.875 -1.834 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.771 5.136 -2.022 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.295 5.175 -3.032 1.00 0.00 C ATOM 0 H ILE A 69 -1.024 8.602 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.175 7.275 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.198 6.617 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.650 5.206 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.238 6.750 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.443 4.308 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.762 5.461 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.811 4.810 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.314 4.884 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.314 5.855 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.718 4.287 -3.289 1.00 0.00 H new ATOM 1080 N LEU A 70 2.385 7.763 -2.296 1.00 0.00 N ATOM 1081 CA LEU A 70 3.830 7.911 -2.320 1.00 0.00 C ATOM 1082 C LEU A 70 4.249 8.951 -1.279 1.00 0.00 C ATOM 1083 O LEU A 70 5.351 8.882 -0.736 1.00 0.00 O ATOM 1084 CB LEU A 70 4.312 8.230 -3.737 1.00 0.00 C ATOM 1085 CG LEU A 70 3.962 7.200 -4.813 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.267 7.741 -6.210 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.668 5.869 -4.547 1.00 0.00 C ATOM 0 H LEU A 70 1.940 7.772 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 70 4.314 6.973 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.894 9.192 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.395 8.347 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 70 2.889 7.011 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.009 6.989 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.681 8.643 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.328 7.977 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.403 5.154 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.747 6.023 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.358 5.480 -3.577 1.00 0.00 H new ATOM 1099 N ALA A 71 3.348 9.891 -1.032 1.00 0.00 N ATOM 1100 CA ALA A 71 3.610 10.944 -0.066 1.00 0.00 C ATOM 1101 C ALA A 71 3.717 10.332 1.332 1.00 0.00 C ATOM 1102 O ALA A 71 4.715 10.527 2.025 1.00 0.00 O ATOM 1103 CB ALA A 71 2.511 12.004 -0.156 1.00 0.00 C ATOM 0 H ALA A 71 2.435 9.945 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 71 4.557 11.438 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.707 12.794 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.496 12.428 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.545 11.546 0.059 1.00 0.00 H new ATOM 1109 N VAL A 72 2.675 9.603 1.706 1.00 0.00 N ATOM 1110 CA VAL A 72 2.640 8.962 3.009 1.00 0.00 C ATOM 1111 C VAL A 72 3.214 7.548 2.893 1.00 0.00 C ATOM 1112 O VAL A 72 2.958 6.698 3.744 1.00 0.00 O ATOM 1113 CB VAL A 72 1.214 8.984 3.565 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.769 10.414 3.875 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.240 8.303 2.601 1.00 0.00 C ATOM 0 H VAL A 72 1.849 9.442 1.129 1.00 0.00 H new ATOM 0 HA VAL A 72 3.261 9.508 3.720 1.00 0.00 H new ATOM 0 HB VAL A 72 1.209 8.422 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.247 10.402 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.439 10.851 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.797 11.010 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.766 8.332 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.250 8.825 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.541 7.266 2.452 1.00 0.00 H new ATOM 1125 N ALA A 73 3.980 7.341 1.832 1.00 0.00 N ATOM 1126 CA ALA A 73 4.593 6.045 1.593 1.00 0.00 C ATOM 1127 C ALA A 73 5.234 5.543 2.888 1.00 0.00 C ATOM 1128 O ALA A 73 5.355 4.337 3.098 1.00 0.00 O ATOM 1129 CB ALA A 73 5.603 6.161 0.449 1.00 0.00 C ATOM 0 H ALA A 73 4.190 8.049 1.128 1.00 0.00 H new ATOM 0 HA ALA A 73 3.842 5.315 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.063 5.189 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.092 6.493 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.374 6.883 0.716 1.00 0.00 H new ATOM 1135 N ASP A 74 5.628 6.493 3.723 1.00 0.00 N ATOM 1136 CA ASP A 74 6.253 6.161 4.992 1.00 0.00 C ATOM 1137 C ASP A 74 5.191 5.628 5.956 1.00 0.00 C ATOM 1138 O ASP A 74 5.422 4.645 6.658 1.00 0.00 O ATOM 1139 CB ASP A 74 6.893 7.396 5.630 1.00 0.00 C ATOM 1140 CG ASP A 74 8.407 7.310 5.830 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.004 6.379 5.246 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.934 8.175 6.562 1.00 0.00 O ATOM 0 H ASP A 74 5.527 7.492 3.546 1.00 0.00 H new ATOM 0 HA ASP A 74 7.022 5.412 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.673 8.263 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.423 7.571 6.598 1.00 0.00 H new ATOM 1147 N LYS A 75 4.049 6.301 5.959 1.00 0.00 N ATOM 1148 CA LYS A 75 2.951 5.907 6.825 1.00 0.00 C ATOM 1149 C LYS A 75 2.523 4.479 6.481 1.00 0.00 C ATOM 1150 O LYS A 75 2.430 3.626 7.362 1.00 0.00 O ATOM 1151 CB LYS A 75 1.813 6.927 6.744 1.00 0.00 C ATOM 1152 CG LYS A 75 2.325 8.343 7.015 1.00 0.00 C ATOM 1153 CD LYS A 75 1.844 8.848 8.377 1.00 0.00 C ATOM 1154 CE LYS A 75 2.101 10.349 8.527 1.00 0.00 C ATOM 1155 NZ LYS A 75 2.351 10.693 9.945 1.00 0.00 N ATOM 0 H LYS A 75 3.861 7.116 5.376 1.00 0.00 H new ATOM 0 HA LYS A 75 3.270 5.902 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.353 6.886 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.039 6.672 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.415 8.352 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.978 9.015 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.779 8.645 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.357 8.306 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.958 10.640 7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.243 10.910 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.524 11.715 10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.522 10.434 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.184 10.172 10.287 1.00 0.00 H new ATOM 1169 N ILE A 76 2.273 4.263 5.198 1.00 0.00 N ATOM 1170 CA ILE A 76 1.856 2.953 4.726 1.00 0.00 C ATOM 1171 C ILE A 76 2.672 1.875 5.444 1.00 0.00 C ATOM 1172 O ILE A 76 3.900 1.877 5.382 1.00 0.00 O ATOM 1173 CB ILE A 76 1.946 2.879 3.201 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.882 3.762 2.545 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.867 1.430 2.717 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.345 4.250 1.171 1.00 0.00 C ATOM 0 H ILE A 76 2.351 4.973 4.470 1.00 0.00 H new ATOM 0 HA ILE A 76 0.808 2.776 4.968 1.00 0.00 H new ATOM 0 HB ILE A 76 2.918 3.267 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.047 3.202 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.669 4.618 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.933 1.406 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.691 0.858 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.920 0.992 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.570 4.875 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.261 4.830 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.534 3.393 0.525 1.00 0.00 H new ATOM 1188 N LYS A 77 1.955 0.980 6.107 1.00 0.00 N ATOM 1189 CA LYS A 77 2.596 -0.101 6.836 1.00 0.00 C ATOM 1190 C LYS A 77 1.916 -1.424 6.480 1.00 0.00 C ATOM 1191 O LYS A 77 0.704 -1.565 6.636 1.00 0.00 O ATOM 1192 CB LYS A 77 2.612 0.199 8.336 1.00 0.00 C ATOM 1193 CG LYS A 77 3.244 -0.954 9.119 1.00 0.00 C ATOM 1194 CD LYS A 77 3.326 -0.624 10.610 1.00 0.00 C ATOM 1195 CE LYS A 77 3.740 -1.853 11.422 1.00 0.00 C ATOM 1196 NZ LYS A 77 3.002 -1.901 12.704 1.00 0.00 N ATOM 0 H LYS A 77 0.936 0.981 6.155 1.00 0.00 H new ATOM 0 HA LYS A 77 3.642 -0.191 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.169 1.117 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.594 0.367 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.657 -1.861 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.243 -1.157 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.044 0.180 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.359 -0.262 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.543 -2.758 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.813 -1.825 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.295 -2.741 13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.211 -1.045 13.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.981 -1.950 12.515 1.00 0.00 H new ATOM 1210 N PHE A 78 2.725 -2.361 6.007 1.00 0.00 N ATOM 1211 CA PHE A 78 2.216 -3.668 5.628 1.00 0.00 C ATOM 1212 C PHE A 78 2.408 -4.680 6.758 1.00 0.00 C ATOM 1213 O PHE A 78 3.355 -4.576 7.536 1.00 0.00 O ATOM 1214 CB PHE A 78 3.020 -4.124 4.408 1.00 0.00 C ATOM 1215 CG PHE A 78 2.475 -3.607 3.075 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.181 -2.288 2.926 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.286 -4.467 2.039 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.675 -1.808 1.689 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.780 -3.987 0.801 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.486 -2.668 0.653 1.00 0.00 C ATOM 0 H PHE A 78 3.730 -2.241 5.878 1.00 0.00 H new ATOM 0 HA PHE A 78 1.150 -3.604 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.052 -3.791 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.037 -5.214 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.332 -1.605 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.520 -5.515 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.440 -0.760 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.629 -4.670 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.102 -2.303 -0.288 1.00 0.00 H new ATOM 1230 N THR A 79 1.493 -5.638 6.814 1.00 0.00 N ATOM 1231 CA THR A 79 1.550 -6.668 7.836 1.00 0.00 C ATOM 1232 C THR A 79 1.571 -8.057 7.193 1.00 0.00 C ATOM 1233 O THR A 79 0.934 -8.278 6.164 1.00 0.00 O ATOM 1234 CB THR A 79 0.370 -6.457 8.787 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.774 -5.361 9.603 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.198 -7.613 9.774 1.00 0.00 C ATOM 0 H THR A 79 0.708 -5.722 6.168 1.00 0.00 H new ATOM 0 HA THR A 79 2.470 -6.598 8.416 1.00 0.00 H new ATOM 0 HB THR A 79 -0.545 -6.336 8.208 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.066 -5.155 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.653 -7.412 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.024 -8.538 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.100 -7.714 10.377 1.00 0.00 H new ATOM 1244 N VAL A 80 2.309 -8.956 7.827 1.00 0.00 N ATOM 1245 CA VAL A 80 2.421 -10.317 7.330 1.00 0.00 C ATOM 1246 C VAL A 80 2.107 -11.296 8.463 1.00 0.00 C ATOM 1247 O VAL A 80 2.955 -11.559 9.314 1.00 0.00 O ATOM 1248 CB VAL A 80 3.805 -10.537 6.716 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.011 -12.006 6.341 1.00 0.00 C ATOM 1250 CG2 VAL A 80 4.018 -9.627 5.505 1.00 0.00 C ATOM 0 H VAL A 80 2.835 -8.769 8.680 1.00 0.00 H new ATOM 0 HA VAL A 80 1.696 -10.495 6.536 1.00 0.00 H new ATOM 0 HB VAL A 80 4.550 -10.275 7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.002 -12.135 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.922 -12.625 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.255 -12.306 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.009 -9.803 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.262 -9.843 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.934 -8.585 5.814 1.00 0.00 H new