USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 136:sc= -0.776 (180deg=-3.32!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 139:sc= 1.26 USER MOD Single : A 28 SER OG : rot 19:sc= 0.619 USER MOD Single : A 34 TYR OH : rot -10:sc= 1.13 USER MOD Single : A 47 GLN : amide:sc=-0.00138 X(o=-0.0014,f=-0.09) USER MOD Single : A 61 TYR OH : rot 75:sc= 0.526 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -113:sc= -4.16! (180deg=-8.98!) USER MOD Single : A 72 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-4.5!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -5.08! C(o=-5.1!,f=-7.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.857 -2.802 2.438 1.00 0.00 N ATOM 63 CA LEU A 8 13.058 -1.589 2.431 1.00 0.00 C ATOM 64 C LEU A 8 11.854 -1.780 1.508 1.00 0.00 C ATOM 65 O LEU A 8 10.710 -1.624 1.932 1.00 0.00 O ATOM 66 CB LEU A 8 13.923 -0.379 2.070 1.00 0.00 C ATOM 67 CG LEU A 8 14.577 0.352 3.244 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.276 1.629 2.774 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.558 0.631 4.352 1.00 0.00 C ATOM 0 HA LEU A 8 12.666 -1.387 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.709 -0.709 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.306 0.333 1.522 1.00 0.00 H new ATOM 0 HG LEU A 8 15.343 -0.298 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.732 2.129 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.048 1.375 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.547 2.294 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.048 1.151 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.753 1.252 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.146 -0.311 4.713 1.00 0.00 H new ATOM 80 N ARG A 9 12.153 -2.117 0.261 1.00 0.00 N ATOM 81 CA ARG A 9 11.108 -2.331 -0.727 1.00 0.00 C ATOM 82 C ARG A 9 10.254 -3.541 -0.343 1.00 0.00 C ATOM 83 O ARG A 9 9.063 -3.584 -0.640 1.00 0.00 O ATOM 84 CB ARG A 9 11.704 -2.558 -2.118 1.00 0.00 C ATOM 85 CG ARG A 9 10.617 -2.519 -3.193 1.00 0.00 C ATOM 86 CD ARG A 9 10.565 -3.837 -3.968 1.00 0.00 C ATOM 87 NE ARG A 9 9.330 -3.897 -4.783 1.00 0.00 N ATOM 88 CZ ARG A 9 9.015 -4.914 -5.596 1.00 0.00 C ATOM 89 NH1 ARG A 9 9.842 -5.962 -5.708 1.00 0.00 N ATOM 90 NH2 ARG A 9 7.874 -4.882 -6.298 1.00 0.00 N ATOM 0 H ARG A 9 13.103 -2.247 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 9 10.486 -1.436 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.453 -1.794 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.214 -3.521 -2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.649 -2.327 -2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.810 -1.696 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.440 -3.924 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.594 -4.678 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 9 8.678 -3.115 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.711 -5.985 -5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.603 -6.737 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.245 -4.083 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.634 -5.656 -6.917 1.00 0.00 H new ATOM 101 N LYS A 10 10.899 -4.495 0.314 1.00 0.00 N ATOM 102 CA LYS A 10 10.214 -5.703 0.743 1.00 0.00 C ATOM 103 C LYS A 10 9.283 -5.369 1.910 1.00 0.00 C ATOM 104 O LYS A 10 8.267 -6.033 2.109 1.00 0.00 O ATOM 105 CB LYS A 10 11.223 -6.809 1.057 1.00 0.00 C ATOM 106 CG LYS A 10 10.546 -7.983 1.768 1.00 0.00 C ATOM 107 CD LYS A 10 9.384 -8.529 0.938 1.00 0.00 C ATOM 108 CE LYS A 10 9.894 -9.346 -0.250 1.00 0.00 C ATOM 109 NZ LYS A 10 8.890 -10.355 -0.657 1.00 0.00 N ATOM 0 H LYS A 10 11.888 -4.456 0.559 1.00 0.00 H new ATOM 0 HA LYS A 10 9.590 -6.093 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.686 -7.157 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.021 -6.411 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.274 -8.774 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.181 -7.661 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.746 -9.152 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.770 -7.703 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.112 -8.683 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.828 -9.841 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.253 -10.900 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.702 -10.998 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.008 -9.876 -0.931 1.00 0.00 H new ATOM 119 N MET A 11 9.664 -4.339 2.653 1.00 0.00 N ATOM 120 CA MET A 11 8.876 -3.909 3.795 1.00 0.00 C ATOM 121 C MET A 11 7.567 -3.258 3.345 1.00 0.00 C ATOM 122 O MET A 11 6.489 -3.648 3.791 1.00 0.00 O ATOM 123 CB MET A 11 9.684 -2.909 4.626 1.00 0.00 C ATOM 124 CG MET A 11 10.777 -3.620 5.426 1.00 0.00 C ATOM 125 SD MET A 11 10.711 -3.109 7.136 1.00 0.00 S ATOM 126 CE MET A 11 11.807 -1.702 7.081 1.00 0.00 C ATOM 0 H MET A 11 10.508 -3.791 2.486 1.00 0.00 H new ATOM 0 HA MET A 11 8.636 -4.785 4.397 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.134 -2.165 3.969 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.020 -2.375 5.305 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.647 -4.700 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.756 -3.388 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.369 -0.878 7.644 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.768 -1.972 7.520 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.955 -1.396 6.045 1.00 0.00 H new ATOM 134 N VAL A 12 7.702 -2.276 2.465 1.00 0.00 N ATOM 135 CA VAL A 12 6.544 -1.567 1.949 1.00 0.00 C ATOM 136 C VAL A 12 5.704 -2.522 1.099 1.00 0.00 C ATOM 137 O VAL A 12 4.481 -2.400 1.047 1.00 0.00 O ATOM 138 CB VAL A 12 6.991 -0.321 1.183 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.219 -0.620 0.319 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.848 0.241 0.336 1.00 0.00 C ATOM 0 H VAL A 12 8.597 -1.955 2.096 1.00 0.00 H new ATOM 0 HA VAL A 12 5.913 -1.220 2.767 1.00 0.00 H new ATOM 0 HB VAL A 12 7.272 0.439 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.516 0.282 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.039 -0.952 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.977 -1.403 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.192 1.126 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.523 -0.512 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.013 0.510 0.984 1.00 0.00 H new ATOM 150 N GLU A 13 6.393 -3.452 0.455 1.00 0.00 N ATOM 151 CA GLU A 13 5.726 -4.428 -0.390 1.00 0.00 C ATOM 152 C GLU A 13 4.540 -5.048 0.351 1.00 0.00 C ATOM 153 O GLU A 13 3.443 -5.148 -0.198 1.00 0.00 O ATOM 154 CB GLU A 13 6.703 -5.507 -0.860 1.00 0.00 C ATOM 155 CG GLU A 13 7.486 -5.040 -2.090 1.00 0.00 C ATOM 156 CD GLU A 13 6.871 -5.597 -3.375 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.720 -5.209 -3.668 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.565 -6.400 -4.035 1.00 0.00 O ATOM 0 H GLU A 13 7.407 -3.551 0.501 1.00 0.00 H new ATOM 0 HA GLU A 13 5.350 -3.916 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.396 -5.751 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.156 -6.419 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.494 -3.951 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.524 -5.363 -2.009 1.00 0.00 H new ATOM 163 N GLU A 14 4.799 -5.451 1.586 1.00 0.00 N ATOM 164 CA GLU A 14 3.767 -6.058 2.408 1.00 0.00 C ATOM 165 C GLU A 14 2.750 -5.004 2.850 1.00 0.00 C ATOM 166 O GLU A 14 1.548 -5.264 2.865 1.00 0.00 O ATOM 167 CB GLU A 14 4.377 -6.772 3.617 1.00 0.00 C ATOM 168 CG GLU A 14 4.442 -5.839 4.829 1.00 0.00 C ATOM 169 CD GLU A 14 5.274 -6.458 5.953 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.485 -6.660 5.719 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.680 -6.716 7.022 1.00 0.00 O ATOM 0 H GLU A 14 5.710 -5.369 2.038 1.00 0.00 H new ATOM 0 HA GLU A 14 3.248 -6.806 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.783 -7.652 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.379 -7.123 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.876 -4.884 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.434 -5.634 5.189 1.00 0.00 H new ATOM 176 N VAL A 15 3.270 -3.836 3.198 1.00 0.00 N ATOM 177 CA VAL A 15 2.423 -2.741 3.639 1.00 0.00 C ATOM 178 C VAL A 15 1.238 -2.601 2.680 1.00 0.00 C ATOM 179 O VAL A 15 0.112 -2.959 3.022 1.00 0.00 O ATOM 180 CB VAL A 15 3.247 -1.458 3.762 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.341 -0.244 3.982 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.283 -1.578 4.880 1.00 0.00 C ATOM 0 H VAL A 15 4.268 -3.624 3.183 1.00 0.00 H new ATOM 0 HA VAL A 15 2.018 -2.947 4.630 1.00 0.00 H new ATOM 0 HB VAL A 15 3.782 -1.311 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.951 0.655 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.659 -0.142 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.767 -0.380 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.855 -0.653 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.776 -1.760 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.957 -2.407 4.664 1.00 0.00 H new ATOM 192 N PHE A 16 1.532 -2.079 1.499 1.00 0.00 N ATOM 193 CA PHE A 16 0.507 -1.887 0.488 1.00 0.00 C ATOM 194 C PHE A 16 -0.391 -3.121 0.378 1.00 0.00 C ATOM 195 O PHE A 16 -1.610 -2.998 0.270 1.00 0.00 O ATOM 196 CB PHE A 16 1.226 -1.674 -0.846 1.00 0.00 C ATOM 197 CG PHE A 16 1.832 -0.279 -1.008 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.167 0.812 -0.539 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.036 -0.128 -1.623 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.729 2.106 -0.691 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.597 1.168 -1.775 1.00 0.00 C ATOM 202 CZ PHE A 16 2.933 2.257 -1.306 1.00 0.00 C ATOM 0 H PHE A 16 2.467 -1.783 1.219 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.120 -1.035 0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.018 -2.417 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.522 -1.850 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.211 0.693 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.565 -0.993 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.201 2.971 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.552 1.288 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.361 3.242 -1.421 1.00 0.00 H new ATOM 211 N ASP A 17 0.246 -4.282 0.408 1.00 0.00 N ATOM 212 CA ASP A 17 -0.480 -5.537 0.312 1.00 0.00 C ATOM 213 C ASP A 17 -1.459 -5.644 1.482 1.00 0.00 C ATOM 214 O ASP A 17 -2.661 -5.810 1.276 1.00 0.00 O ATOM 215 CB ASP A 17 0.474 -6.732 0.382 1.00 0.00 C ATOM 216 CG ASP A 17 1.085 -7.151 -0.957 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.509 -6.753 -1.993 1.00 0.00 O ATOM 218 OD2 ASP A 17 2.113 -7.860 -0.914 1.00 0.00 O ATOM 0 H ASP A 17 1.257 -4.380 0.497 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.006 -5.551 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.282 -6.493 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.063 -7.583 0.801 1.00 0.00 H new ATOM 222 N VAL A 18 -0.910 -5.548 2.683 1.00 0.00 N ATOM 223 CA VAL A 18 -1.721 -5.632 3.886 1.00 0.00 C ATOM 224 C VAL A 18 -2.839 -4.590 3.816 1.00 0.00 C ATOM 225 O VAL A 18 -4.019 -4.938 3.837 1.00 0.00 O ATOM 226 CB VAL A 18 -0.836 -5.479 5.125 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.636 -4.920 6.304 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.172 -6.806 5.493 1.00 0.00 C ATOM 0 H VAL A 18 0.087 -5.413 2.850 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.194 -6.611 3.961 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.047 -4.766 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.984 -4.821 7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.039 -3.942 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.456 -5.598 6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.451 -6.668 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.939 -7.551 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.447 -7.146 4.662 1.00 0.00 H new ATOM 238 N LEU A 19 -2.429 -3.333 3.736 1.00 0.00 N ATOM 239 CA LEU A 19 -3.381 -2.238 3.663 1.00 0.00 C ATOM 240 C LEU A 19 -4.533 -2.630 2.737 1.00 0.00 C ATOM 241 O LEU A 19 -5.700 -2.536 3.116 1.00 0.00 O ATOM 242 CB LEU A 19 -2.678 -0.942 3.255 1.00 0.00 C ATOM 243 CG LEU A 19 -1.526 -0.492 4.155 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.178 0.977 3.909 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.840 -0.768 5.627 1.00 0.00 C ATOM 0 H LEU A 19 -1.450 -3.048 3.720 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.813 -2.043 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.295 -1.063 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.420 -0.144 3.222 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.644 -1.078 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.356 1.270 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.881 1.111 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.049 1.598 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.005 -0.439 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.741 -0.225 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.999 -1.837 5.771 1.00 0.00 H new ATOM 256 N TYR A 20 -4.166 -3.063 1.539 1.00 0.00 N ATOM 257 CA TYR A 20 -5.154 -3.470 0.554 1.00 0.00 C ATOM 258 C TYR A 20 -6.066 -4.564 1.114 1.00 0.00 C ATOM 259 O TYR A 20 -7.279 -4.378 1.208 1.00 0.00 O ATOM 260 CB TYR A 20 -4.365 -4.035 -0.627 1.00 0.00 C ATOM 261 CG TYR A 20 -5.215 -4.314 -1.867 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.155 -3.393 -2.282 1.00 0.00 C ATOM 263 CD2 TYR A 20 -5.043 -5.488 -2.573 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.956 -3.656 -3.449 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.844 -5.751 -3.741 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.761 -4.821 -4.121 1.00 0.00 C ATOM 267 OH TYR A 20 -7.517 -5.070 -5.224 1.00 0.00 O ATOM 0 H TYR A 20 -3.198 -3.141 1.228 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.783 -2.627 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.574 -3.333 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.879 -4.960 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.290 -2.474 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.307 -6.210 -2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.695 -2.943 -3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.719 -6.665 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.268 -5.939 -5.602 1.00 0.00 H new ATOM 276 N SER A 21 -5.448 -5.681 1.470 1.00 0.00 N ATOM 277 CA SER A 21 -6.189 -6.804 2.017 1.00 0.00 C ATOM 278 C SER A 21 -7.080 -6.333 3.168 1.00 0.00 C ATOM 279 O SER A 21 -8.186 -6.841 3.349 1.00 0.00 O ATOM 280 CB SER A 21 -5.242 -7.906 2.496 1.00 0.00 C ATOM 281 OG SER A 21 -5.897 -8.839 3.352 1.00 0.00 O ATOM 0 H SER A 21 -4.442 -5.832 1.390 1.00 0.00 H new ATOM 0 HA SER A 21 -6.816 -7.218 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.832 -8.431 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.401 -7.457 3.025 1.00 0.00 H new ATOM 0 HG SER A 21 -5.601 -9.747 3.133 1.00 0.00 H new ATOM 286 N GLU A 22 -6.566 -5.367 3.915 1.00 0.00 N ATOM 287 CA GLU A 22 -7.302 -4.822 5.044 1.00 0.00 C ATOM 288 C GLU A 22 -8.564 -4.107 4.558 1.00 0.00 C ATOM 289 O GLU A 22 -9.659 -4.370 5.050 1.00 0.00 O ATOM 290 CB GLU A 22 -6.422 -3.882 5.870 1.00 0.00 C ATOM 291 CG GLU A 22 -5.340 -4.662 6.621 1.00 0.00 C ATOM 292 CD GLU A 22 -5.915 -5.332 7.869 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.483 -6.435 7.711 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.773 -4.727 8.954 1.00 0.00 O ATOM 0 H GLU A 22 -5.649 -4.948 3.761 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.601 -5.647 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.956 -3.145 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.039 -3.332 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.909 -5.417 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.532 -3.988 6.905 1.00 0.00 H new ATOM 299 N ALA A 23 -8.368 -3.216 3.597 1.00 0.00 N ATOM 300 CA ALA A 23 -9.477 -2.460 3.040 1.00 0.00 C ATOM 301 C ALA A 23 -10.438 -3.419 2.335 1.00 0.00 C ATOM 302 O ALA A 23 -11.644 -3.181 2.302 1.00 0.00 O ATOM 303 CB ALA A 23 -8.937 -1.380 2.100 1.00 0.00 C ATOM 0 H ALA A 23 -7.458 -3.001 3.190 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.034 -1.956 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.768 -0.813 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.282 -0.708 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.375 -1.849 1.292 1.00 0.00 H new ATOM 309 N LEU A 24 -9.867 -4.482 1.788 1.00 0.00 N ATOM 310 CA LEU A 24 -10.659 -5.478 1.085 1.00 0.00 C ATOM 311 C LEU A 24 -11.372 -6.368 2.105 1.00 0.00 C ATOM 312 O LEU A 24 -12.474 -6.853 1.848 1.00 0.00 O ATOM 313 CB LEU A 24 -9.788 -6.253 0.096 1.00 0.00 C ATOM 314 CG LEU A 24 -9.781 -5.733 -1.343 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.736 -6.466 -2.187 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.178 -5.815 -1.963 1.00 0.00 C ATOM 0 H LEU A 24 -8.866 -4.676 1.817 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.432 -4.997 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.763 -6.252 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.121 -7.291 0.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.498 -4.680 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.752 -6.077 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.747 -6.312 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.963 -7.532 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.145 -5.439 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.513 -6.852 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.872 -5.212 -1.377 1.00 0.00 H new ATOM 327 N GLY A 25 -10.716 -6.555 3.241 1.00 0.00 N ATOM 328 CA GLY A 25 -11.275 -7.379 4.301 1.00 0.00 C ATOM 329 C GLY A 25 -11.280 -8.855 3.902 1.00 0.00 C ATOM 330 O GLY A 25 -12.325 -9.505 3.925 1.00 0.00 O ATOM 0 H GLY A 25 -9.803 -6.151 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.694 -7.247 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.292 -7.054 4.521 1.00 0.00 H new ATOM 334 N ARG A 26 -10.102 -9.343 3.545 1.00 0.00 N ATOM 335 CA ARG A 26 -9.957 -10.733 3.142 1.00 0.00 C ATOM 336 C ARG A 26 -9.252 -11.533 4.240 1.00 0.00 C ATOM 337 O ARG A 26 -8.733 -10.959 5.195 1.00 0.00 O ATOM 338 CB ARG A 26 -9.158 -10.849 1.843 1.00 0.00 C ATOM 339 CG ARG A 26 -9.824 -10.054 0.717 1.00 0.00 C ATOM 340 CD ARG A 26 -10.312 -10.984 -0.395 1.00 0.00 C ATOM 341 NE ARG A 26 -11.517 -10.412 -1.039 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.758 -10.529 -0.548 1.00 0.00 C ATOM 343 NH1 ARG A 26 -12.966 -11.195 0.596 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.791 -9.978 -1.199 1.00 0.00 N ATOM 0 H ARG A 26 -9.238 -8.801 3.526 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.956 -11.137 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.144 -10.482 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.076 -11.897 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.664 -9.486 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.116 -9.332 0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.525 -11.123 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.541 -11.967 0.016 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.394 -9.897 -1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.179 -11.613 1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.911 -11.284 0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.633 -9.469 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.736 -10.067 -0.825 1.00 0.00 H new ATOM 355 N ALA A 27 -9.257 -12.846 4.065 1.00 0.00 N ATOM 356 CA ALA A 27 -8.624 -13.731 5.028 1.00 0.00 C ATOM 357 C ALA A 27 -7.222 -14.096 4.534 1.00 0.00 C ATOM 358 O ALA A 27 -6.648 -15.095 4.968 1.00 0.00 O ATOM 359 CB ALA A 27 -9.505 -14.963 5.245 1.00 0.00 C ATOM 0 H ALA A 27 -9.689 -13.318 3.271 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.515 -13.234 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.030 -15.627 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.479 -14.652 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.634 -15.489 4.299 1.00 0.00 H new ATOM 365 N SER A 28 -6.711 -13.268 3.636 1.00 0.00 N ATOM 366 CA SER A 28 -5.388 -13.490 3.080 1.00 0.00 C ATOM 367 C SER A 28 -4.815 -12.176 2.547 1.00 0.00 C ATOM 368 O SER A 28 -5.558 -11.228 2.294 1.00 0.00 O ATOM 369 CB SER A 28 -5.427 -14.541 1.968 1.00 0.00 C ATOM 370 OG SER A 28 -5.442 -15.868 2.488 1.00 0.00 O ATOM 0 H SER A 28 -7.190 -12.441 3.279 1.00 0.00 H new ATOM 0 HA SER A 28 -4.743 -13.864 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.312 -14.383 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.560 -14.415 1.320 1.00 0.00 H new ATOM 0 HG SER A 28 -5.728 -15.849 3.425 1.00 0.00 H new ATOM 375 N VAL A 29 -3.500 -12.159 2.392 1.00 0.00 N ATOM 376 CA VAL A 29 -2.819 -10.976 1.894 1.00 0.00 C ATOM 377 C VAL A 29 -2.737 -11.044 0.368 1.00 0.00 C ATOM 378 O VAL A 29 -1.953 -11.818 -0.180 1.00 0.00 O ATOM 379 CB VAL A 29 -1.449 -10.839 2.561 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.681 -9.643 1.997 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.588 -10.736 4.081 1.00 0.00 C ATOM 0 H VAL A 29 -2.887 -12.946 2.603 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.380 -10.077 2.150 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.876 -11.739 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.289 -9.569 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.535 -9.777 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.249 -8.730 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.600 -10.640 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.188 -9.862 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.075 -11.633 4.463 1.00 0.00 H new ATOM 391 N VAL A 30 -3.556 -10.225 -0.275 1.00 0.00 N ATOM 392 CA VAL A 30 -3.586 -10.184 -1.728 1.00 0.00 C ATOM 393 C VAL A 30 -2.610 -9.115 -2.222 1.00 0.00 C ATOM 394 O VAL A 30 -2.284 -8.181 -1.491 1.00 0.00 O ATOM 395 CB VAL A 30 -5.018 -9.959 -2.216 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.846 -11.239 -2.093 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.679 -8.803 -1.461 1.00 0.00 C ATOM 0 H VAL A 30 -4.204 -9.584 0.183 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.262 -11.138 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.974 -9.689 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.860 -11.052 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.391 -12.026 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.878 -11.553 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.696 -8.664 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.705 -9.032 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.107 -7.889 -1.622 1.00 0.00 H new ATOM 407 N PRO A 31 -2.160 -9.292 -3.493 1.00 0.00 N ATOM 408 CA PRO A 31 -1.228 -8.353 -4.095 1.00 0.00 C ATOM 409 C PRO A 31 -1.935 -7.055 -4.489 1.00 0.00 C ATOM 410 O PRO A 31 -3.159 -6.960 -4.407 1.00 0.00 O ATOM 411 CB PRO A 31 -0.637 -9.093 -5.284 1.00 0.00 C ATOM 412 CG PRO A 31 -1.593 -10.237 -5.580 1.00 0.00 C ATOM 413 CD PRO A 31 -2.524 -10.386 -4.389 1.00 0.00 C ATOM 0 HA PRO A 31 -0.442 -8.040 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.539 -8.433 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.361 -9.467 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.163 -10.033 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.041 -11.161 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.569 -10.318 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.395 -11.354 -3.905 1.00 0.00 H new ATOM 418 N LEU A 32 -1.134 -6.086 -4.909 1.00 0.00 N ATOM 419 CA LEU A 32 -1.667 -4.798 -5.316 1.00 0.00 C ATOM 420 C LEU A 32 -1.293 -4.533 -6.775 1.00 0.00 C ATOM 421 O LEU A 32 -0.178 -4.100 -7.065 1.00 0.00 O ATOM 422 CB LEU A 32 -1.210 -3.700 -4.354 1.00 0.00 C ATOM 423 CG LEU A 32 -1.458 -2.261 -4.812 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.824 -2.128 -5.487 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.295 -1.280 -3.649 1.00 0.00 C ATOM 0 H LEU A 32 -0.120 -6.168 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.756 -4.803 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.714 -3.848 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.142 -3.824 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.705 -2.005 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.975 -1.096 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.865 -2.783 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.607 -2.410 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.477 -0.265 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.010 -1.525 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.282 -1.351 -3.253 1.00 0.00 H new ATOM 436 N PRO A 33 -2.269 -4.812 -7.681 1.00 0.00 N ATOM 437 CA PRO A 33 -2.052 -4.608 -9.102 1.00 0.00 C ATOM 438 C PRO A 33 -2.100 -3.121 -9.457 1.00 0.00 C ATOM 439 O PRO A 33 -3.128 -2.620 -9.910 1.00 0.00 O ATOM 440 CB PRO A 33 -3.142 -5.417 -9.786 1.00 0.00 C ATOM 441 CG PRO A 33 -4.204 -5.665 -8.728 1.00 0.00 C ATOM 442 CD PRO A 33 -3.601 -5.326 -7.374 1.00 0.00 C ATOM 0 HA PRO A 33 -1.065 -4.937 -9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.556 -4.874 -10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.747 -6.357 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.084 -5.050 -8.919 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.530 -6.705 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.201 -4.583 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.548 -6.206 -6.732 1.00 0.00 H new ATOM 447 N TYR A 34 -0.975 -2.457 -9.238 1.00 0.00 N ATOM 448 CA TYR A 34 -0.875 -1.036 -9.529 1.00 0.00 C ATOM 449 C TYR A 34 -1.247 -0.747 -10.985 1.00 0.00 C ATOM 450 O TYR A 34 -2.067 0.128 -11.257 1.00 0.00 O ATOM 451 CB TYR A 34 0.591 -0.662 -9.307 1.00 0.00 C ATOM 452 CG TYR A 34 1.081 -0.887 -7.874 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.796 0.043 -6.895 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.808 -2.018 -7.562 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.257 -0.169 -5.546 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.268 -2.229 -6.214 1.00 0.00 C ATOM 457 CZ TYR A 34 1.970 -1.294 -5.274 1.00 0.00 C ATOM 458 OH TYR A 34 2.405 -1.494 -4.000 1.00 0.00 O ATOM 0 H TYR A 34 -0.124 -2.876 -8.862 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.553 -0.466 -8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.211 -1.245 -9.988 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.731 0.387 -9.567 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.228 0.929 -7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.032 -2.745 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.041 0.549 -4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.837 -3.110 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 34 2.257 -0.682 -3.472 1.00 0.00 H new ATOM 467 N GLU A 35 -0.628 -1.500 -11.881 1.00 0.00 N ATOM 468 CA GLU A 35 -0.885 -1.336 -13.302 1.00 0.00 C ATOM 469 C GLU A 35 -2.373 -1.084 -13.547 1.00 0.00 C ATOM 470 O GLU A 35 -2.742 -0.413 -14.510 1.00 0.00 O ATOM 471 CB GLU A 35 -0.397 -2.553 -14.091 1.00 0.00 C ATOM 472 CG GLU A 35 -1.219 -3.796 -13.745 1.00 0.00 C ATOM 473 CD GLU A 35 -0.801 -4.988 -14.608 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.416 -5.278 -14.625 1.00 0.00 O ATOM 475 OE2 GLU A 35 -1.706 -5.582 -15.231 1.00 0.00 O ATOM 0 H GLU A 35 0.051 -2.226 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.328 -0.468 -13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.469 -2.351 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.655 -2.735 -13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.087 -4.042 -12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.279 -3.589 -13.894 1.00 0.00 H new ATOM 480 N ARG A 36 -3.188 -1.634 -12.659 1.00 0.00 N ATOM 481 CA ARG A 36 -4.628 -1.477 -12.767 1.00 0.00 C ATOM 482 C ARG A 36 -5.106 -0.334 -11.869 1.00 0.00 C ATOM 483 O ARG A 36 -5.580 0.690 -12.360 1.00 0.00 O ATOM 484 CB ARG A 36 -5.354 -2.765 -12.371 1.00 0.00 C ATOM 485 CG ARG A 36 -5.229 -3.824 -13.468 1.00 0.00 C ATOM 486 CD ARG A 36 -6.530 -4.613 -13.619 1.00 0.00 C ATOM 487 NE ARG A 36 -6.248 -6.066 -13.589 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.180 -7.008 -13.391 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.460 -6.656 -13.204 1.00 0.00 N ATOM 490 NH2 ARG A 36 -6.833 -8.302 -13.379 1.00 0.00 N ATOM 0 H ARG A 36 -2.878 -2.189 -11.861 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.859 -1.248 -13.807 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.938 -3.150 -11.440 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.407 -2.551 -12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.978 -3.345 -14.414 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.412 -4.505 -13.230 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.219 -4.351 -12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.019 -4.348 -14.557 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.284 -6.369 -13.728 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.724 -5.671 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.169 -7.373 -13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.859 -8.570 -13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.543 -9.019 -13.228 1.00 0.00 H new ATOM 501 N LEU A 37 -4.966 -0.547 -10.569 1.00 0.00 N ATOM 502 CA LEU A 37 -5.377 0.453 -9.598 1.00 0.00 C ATOM 503 C LEU A 37 -4.894 1.831 -10.056 1.00 0.00 C ATOM 504 O LEU A 37 -5.549 2.839 -9.797 1.00 0.00 O ATOM 505 CB LEU A 37 -4.899 0.068 -8.197 1.00 0.00 C ATOM 506 CG LEU A 37 -5.249 -1.348 -7.734 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.419 -1.401 -6.215 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.484 -1.875 -8.468 1.00 0.00 C ATOM 0 H LEU A 37 -4.574 -1.398 -10.165 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.464 0.500 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.816 0.184 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.320 0.777 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.418 -2.006 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.667 -2.418 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.490 -1.096 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.221 -0.727 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.711 -2.883 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.333 -1.222 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.289 -1.896 -9.540 1.00 0.00 H new ATOM 519 N LEU A 38 -3.753 1.829 -10.728 1.00 0.00 N ATOM 520 CA LEU A 38 -3.174 3.067 -11.224 1.00 0.00 C ATOM 521 C LEU A 38 -4.114 3.683 -12.263 1.00 0.00 C ATOM 522 O LEU A 38 -4.372 4.885 -12.236 1.00 0.00 O ATOM 523 CB LEU A 38 -1.756 2.825 -11.744 1.00 0.00 C ATOM 524 CG LEU A 38 -0.702 2.491 -10.687 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.589 1.993 -11.338 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.454 3.685 -9.762 1.00 0.00 C ATOM 0 H LEU A 38 -3.213 0.990 -10.941 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.072 3.791 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.789 2.009 -12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.431 3.715 -12.284 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.085 1.679 -10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.321 1.763 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.380 1.095 -11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.987 2.766 -11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.299 3.420 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.103 4.533 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.382 3.953 -9.257 1.00 0.00 H new ATOM 537 N ARG A 39 -4.599 2.831 -13.154 1.00 0.00 N ATOM 538 CA ARG A 39 -5.504 3.277 -14.200 1.00 0.00 C ATOM 539 C ARG A 39 -6.754 3.910 -13.586 1.00 0.00 C ATOM 540 O ARG A 39 -7.178 4.986 -14.004 1.00 0.00 O ATOM 541 CB ARG A 39 -5.920 2.112 -15.101 1.00 0.00 C ATOM 542 CG ARG A 39 -6.630 2.618 -16.358 1.00 0.00 C ATOM 543 CD ARG A 39 -7.994 1.944 -16.527 1.00 0.00 C ATOM 544 NE ARG A 39 -8.214 1.597 -17.948 1.00 0.00 N ATOM 545 CZ ARG A 39 -8.339 2.499 -18.932 1.00 0.00 C ATOM 546 NH1 ARG A 39 -8.267 3.807 -18.653 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.536 2.091 -20.193 1.00 0.00 N ATOM 0 H ARG A 39 -4.383 1.834 -13.173 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.977 4.017 -14.802 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.040 1.534 -15.384 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.580 1.440 -14.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.760 3.699 -16.297 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.012 2.420 -17.234 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.043 1.045 -15.913 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.784 2.611 -16.180 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.274 0.609 -18.195 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.117 4.116 -17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.362 4.494 -19.401 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.591 1.095 -20.404 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.631 2.777 -20.942 1.00 0.00 H new ATOM 558 N GLU A 40 -7.309 3.215 -12.605 1.00 0.00 N ATOM 559 CA GLU A 40 -8.502 3.696 -11.928 1.00 0.00 C ATOM 560 C GLU A 40 -8.139 4.279 -10.562 1.00 0.00 C ATOM 561 O GLU A 40 -7.834 3.538 -9.628 1.00 0.00 O ATOM 562 CB GLU A 40 -9.542 2.581 -11.790 1.00 0.00 C ATOM 563 CG GLU A 40 -9.389 1.548 -12.909 1.00 0.00 C ATOM 564 CD GLU A 40 -10.754 1.034 -13.371 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.497 1.848 -13.961 1.00 0.00 O ATOM 566 OE2 GLU A 40 -11.024 -0.162 -13.123 1.00 0.00 O ATOM 0 H GLU A 40 -6.955 2.322 -12.262 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.944 4.488 -12.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.431 2.093 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.544 3.008 -11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.860 1.995 -13.751 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.782 0.714 -12.558 1.00 0.00 H new ATOM 571 N PRO A 41 -8.186 5.635 -10.485 1.00 0.00 N ATOM 572 CA PRO A 41 -7.866 6.327 -9.247 1.00 0.00 C ATOM 573 C PRO A 41 -9.006 6.196 -8.236 1.00 0.00 C ATOM 574 O PRO A 41 -8.773 6.197 -7.028 1.00 0.00 O ATOM 575 CB PRO A 41 -7.600 7.765 -9.658 1.00 0.00 C ATOM 576 CG PRO A 41 -8.230 7.931 -11.031 1.00 0.00 C ATOM 577 CD PRO A 41 -8.544 6.545 -11.569 1.00 0.00 C ATOM 0 HA PRO A 41 -6.998 5.904 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.035 8.462 -8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.530 7.970 -9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.138 8.530 -10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.550 8.456 -11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.598 6.452 -11.832 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.970 6.331 -12.471 1.00 0.00 H new ATOM 582 N GLY A 42 -10.216 6.086 -8.765 1.00 0.00 N ATOM 583 CA GLY A 42 -11.393 5.954 -7.923 1.00 0.00 C ATOM 584 C GLY A 42 -11.501 4.539 -7.349 1.00 0.00 C ATOM 585 O GLY A 42 -11.793 4.366 -6.167 1.00 0.00 O ATOM 0 H GLY A 42 -10.407 6.086 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.345 6.678 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.287 6.184 -8.503 1.00 0.00 H new ATOM 589 N LEU A 43 -11.260 3.565 -8.215 1.00 0.00 N ATOM 590 CA LEU A 43 -11.327 2.171 -7.809 1.00 0.00 C ATOM 591 C LEU A 43 -10.645 2.007 -6.449 1.00 0.00 C ATOM 592 O LEU A 43 -11.149 1.298 -5.579 1.00 0.00 O ATOM 593 CB LEU A 43 -10.748 1.268 -8.900 1.00 0.00 C ATOM 594 CG LEU A 43 -11.093 -0.219 -8.792 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.493 -0.498 -9.344 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.027 -1.081 -9.472 1.00 0.00 C ATOM 0 H LEU A 43 -11.018 3.713 -9.195 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.364 1.859 -7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.095 1.632 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.663 1.371 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.102 -0.492 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.714 -1.562 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.228 0.073 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.536 -0.205 -10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.297 -2.133 -9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.961 -0.814 -10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.062 -0.911 -8.994 1.00 0.00 H new ATOM 607 N LEU A 44 -9.509 2.673 -6.308 1.00 0.00 N ATOM 608 CA LEU A 44 -8.753 2.611 -5.068 1.00 0.00 C ATOM 609 C LEU A 44 -7.791 3.798 -5.002 1.00 0.00 C ATOM 610 O LEU A 44 -6.848 3.883 -5.786 1.00 0.00 O ATOM 611 CB LEU A 44 -8.063 1.253 -4.930 1.00 0.00 C ATOM 612 CG LEU A 44 -7.053 1.126 -3.788 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.589 1.770 -2.508 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.650 -0.334 -3.571 1.00 0.00 C ATOM 0 H LEU A 44 -9.093 3.259 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.421 2.693 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.830 0.490 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.552 1.031 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.151 1.670 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.852 1.666 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.783 2.828 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.515 1.276 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.931 -0.395 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.533 -0.922 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.198 -0.726 -4.482 1.00 0.00 H new ATOM 625 N ALA A 45 -8.063 4.687 -4.057 1.00 0.00 N ATOM 626 CA ALA A 45 -7.234 5.866 -3.878 1.00 0.00 C ATOM 627 C ALA A 45 -6.353 5.682 -2.641 1.00 0.00 C ATOM 628 O ALA A 45 -6.851 5.366 -1.560 1.00 0.00 O ATOM 629 CB ALA A 45 -8.125 7.107 -3.779 1.00 0.00 C ATOM 0 H ALA A 45 -8.846 4.614 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.575 6.005 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.503 7.992 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.709 7.210 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.798 7.004 -2.928 1.00 0.00 H new ATOM 635 N VAL A 46 -5.059 5.886 -2.839 1.00 0.00 N ATOM 636 CA VAL A 46 -4.104 5.746 -1.754 1.00 0.00 C ATOM 637 C VAL A 46 -3.990 7.076 -1.004 1.00 0.00 C ATOM 638 O VAL A 46 -3.656 8.099 -1.599 1.00 0.00 O ATOM 639 CB VAL A 46 -2.763 5.249 -2.297 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.720 5.155 -1.181 1.00 0.00 C ATOM 641 CG2 VAL A 46 -2.924 3.906 -3.011 1.00 0.00 C ATOM 0 H VAL A 46 -4.650 6.147 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.447 4.998 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.408 5.976 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.776 4.799 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.573 6.139 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.067 4.459 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.956 3.576 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.313 3.166 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.618 4.018 -3.844 1.00 0.00 H new ATOM 651 N GLN A 47 -4.275 7.017 0.288 1.00 0.00 N ATOM 652 CA GLN A 47 -4.209 8.204 1.123 1.00 0.00 C ATOM 653 C GLN A 47 -3.187 8.007 2.245 1.00 0.00 C ATOM 654 O GLN A 47 -2.750 6.886 2.502 1.00 0.00 O ATOM 655 CB GLN A 47 -5.586 8.551 1.691 1.00 0.00 C ATOM 656 CG GLN A 47 -6.484 9.168 0.616 1.00 0.00 C ATOM 657 CD GLN A 47 -6.341 10.691 0.590 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.549 11.377 1.577 1.00 0.00 O ATOM 659 NE2 GLN A 47 -5.976 11.179 -0.592 1.00 0.00 N ATOM 0 H GLN A 47 -4.552 6.166 0.777 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.885 9.042 0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.056 7.652 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.475 9.248 2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.223 8.758 -0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.523 8.900 0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.818 10.548 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.854 12.184 -0.713 1.00 0.00 H new ATOM 666 N GLY A 48 -2.834 9.114 2.882 1.00 0.00 N ATOM 667 CA GLY A 48 -1.872 9.077 3.969 1.00 0.00 C ATOM 668 C GLY A 48 -0.468 8.763 3.449 1.00 0.00 C ATOM 669 O GLY A 48 0.342 8.167 4.159 1.00 0.00 O ATOM 0 H GLY A 48 -3.197 10.042 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.866 10.036 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.171 8.324 4.698 1.00 0.00 H new ATOM 673 N LEU A 49 -0.223 9.175 2.214 1.00 0.00 N ATOM 674 CA LEU A 49 1.070 8.945 1.591 1.00 0.00 C ATOM 675 C LEU A 49 2.148 9.703 2.367 1.00 0.00 C ATOM 676 O LEU A 49 1.837 10.559 3.194 1.00 0.00 O ATOM 677 CB LEU A 49 1.017 9.300 0.104 1.00 0.00 C ATOM 678 CG LEU A 49 0.621 8.165 -0.843 1.00 0.00 C ATOM 679 CD1 LEU A 49 0.136 8.715 -2.186 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.768 7.167 -1.013 1.00 0.00 C ATOM 0 H LEU A 49 -0.898 9.667 1.628 1.00 0.00 H new ATOM 0 HA LEU A 49 1.332 7.888 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.311 10.120 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.997 9.671 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.213 7.624 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.139 7.888 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.732 9.354 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.933 9.295 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.460 6.371 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.637 7.679 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.025 6.739 -0.044 1.00 0.00 H new ATOM 691 N PRO A 50 3.427 9.353 2.065 1.00 0.00 N ATOM 692 CA PRO A 50 4.553 9.990 2.724 1.00 0.00 C ATOM 693 C PRO A 50 4.776 11.404 2.184 1.00 0.00 C ATOM 694 O PRO A 50 5.764 12.054 2.524 1.00 0.00 O ATOM 695 CB PRO A 50 5.731 9.065 2.473 1.00 0.00 C ATOM 696 CG PRO A 50 5.331 8.188 1.297 1.00 0.00 C ATOM 697 CD PRO A 50 3.833 8.343 1.091 1.00 0.00 C ATOM 0 HA PRO A 50 4.392 10.126 3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.633 9.634 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.948 8.461 3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.873 8.483 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.584 7.146 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.604 8.660 0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.311 7.401 1.257 1.00 0.00 H new ATOM 702 N GLU A 51 3.843 11.838 1.350 1.00 0.00 N ATOM 703 CA GLU A 51 3.926 13.162 0.758 1.00 0.00 C ATOM 704 C GLU A 51 5.197 13.290 -0.083 1.00 0.00 C ATOM 705 O GLU A 51 6.230 12.716 0.256 1.00 0.00 O ATOM 706 CB GLU A 51 3.869 14.248 1.834 1.00 0.00 C ATOM 707 CG GLU A 51 2.437 14.455 2.331 1.00 0.00 C ATOM 708 CD GLU A 51 2.075 15.941 2.359 1.00 0.00 C ATOM 709 OE1 GLU A 51 1.801 16.480 1.265 1.00 0.00 O ATOM 710 OE2 GLU A 51 2.083 16.505 3.475 1.00 0.00 O ATOM 0 H GLU A 51 3.025 11.296 1.070 1.00 0.00 H new ATOM 0 HA GLU A 51 3.066 13.300 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.511 13.970 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.257 15.184 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.743 13.920 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.330 14.032 3.330 1.00 0.00 H new ATOM 715 N GLY A 52 5.080 14.046 -1.164 1.00 0.00 N ATOM 716 CA GLY A 52 6.207 14.257 -2.057 1.00 0.00 C ATOM 717 C GLY A 52 6.547 12.976 -2.822 1.00 0.00 C ATOM 718 O GLY A 52 7.702 12.749 -3.177 1.00 0.00 O ATOM 0 H GLY A 52 4.221 14.521 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.973 15.055 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.074 14.583 -1.483 1.00 0.00 H new ATOM 722 N LEU A 53 5.519 12.173 -3.054 1.00 0.00 N ATOM 723 CA LEU A 53 5.694 10.921 -3.771 1.00 0.00 C ATOM 724 C LEU A 53 4.494 10.693 -4.691 1.00 0.00 C ATOM 725 O LEU A 53 3.651 11.575 -4.848 1.00 0.00 O ATOM 726 CB LEU A 53 5.942 9.773 -2.790 1.00 0.00 C ATOM 727 CG LEU A 53 7.403 9.514 -2.416 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.511 8.423 -1.350 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.237 9.189 -3.656 1.00 0.00 C ATOM 0 H LEU A 53 4.562 12.365 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 53 6.579 10.966 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.384 9.976 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.530 8.860 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 53 7.812 10.427 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.560 8.259 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.971 8.734 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.079 7.498 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.271 9.009 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.837 8.298 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.198 10.028 -4.351 1.00 0.00 H new ATOM 740 N ALA A 54 4.456 9.506 -5.278 1.00 0.00 N ATOM 741 CA ALA A 54 3.374 9.152 -6.181 1.00 0.00 C ATOM 742 C ALA A 54 3.052 7.665 -6.025 1.00 0.00 C ATOM 743 O ALA A 54 3.957 6.832 -5.980 1.00 0.00 O ATOM 744 CB ALA A 54 3.763 9.518 -7.614 1.00 0.00 C ATOM 0 H ALA A 54 5.157 8.777 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 54 2.471 9.712 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.951 9.252 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.952 10.590 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.664 8.973 -7.897 1.00 0.00 H new ATOM 750 N PHE A 55 1.761 7.375 -5.947 1.00 0.00 N ATOM 751 CA PHE A 55 1.309 6.003 -5.798 1.00 0.00 C ATOM 752 C PHE A 55 1.784 5.138 -6.967 1.00 0.00 C ATOM 753 O PHE A 55 1.300 5.284 -8.088 1.00 0.00 O ATOM 754 CB PHE A 55 -0.221 6.033 -5.790 1.00 0.00 C ATOM 755 CG PHE A 55 -0.872 4.660 -5.966 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.456 3.608 -5.211 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.866 4.491 -6.878 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.061 2.334 -5.375 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.470 3.216 -7.042 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.054 2.165 -6.287 1.00 0.00 C ATOM 0 H PHE A 55 1.014 8.068 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 55 1.712 5.577 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.561 6.467 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.565 6.692 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.334 3.742 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.196 5.326 -7.478 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.732 1.499 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.260 3.082 -7.766 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.513 1.195 -6.412 1.00 0.00 H new ATOM 769 N ARG A 56 2.726 4.257 -6.666 1.00 0.00 N ATOM 770 CA ARG A 56 3.272 3.369 -7.678 1.00 0.00 C ATOM 771 C ARG A 56 4.035 2.218 -7.019 1.00 0.00 C ATOM 772 O ARG A 56 4.285 2.243 -5.815 1.00 0.00 O ATOM 773 CB ARG A 56 4.213 4.123 -8.621 1.00 0.00 C ATOM 774 CG ARG A 56 4.941 5.249 -7.885 1.00 0.00 C ATOM 775 CD ARG A 56 6.384 5.381 -8.375 1.00 0.00 C ATOM 776 NE ARG A 56 6.402 5.829 -9.785 1.00 0.00 N ATOM 777 CZ ARG A 56 7.501 6.248 -10.427 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.679 6.278 -9.788 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.423 6.635 -11.707 1.00 0.00 N ATOM 0 H ARG A 56 3.125 4.139 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 56 2.438 2.971 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.941 3.431 -9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.644 4.536 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.413 6.190 -8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.934 5.052 -6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.924 6.094 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.897 4.424 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 56 5.522 5.818 -10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.738 5.982 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.516 6.597 -10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.527 6.611 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.260 6.954 -12.195 1.00 0.00 H new ATOM 790 N ARG A 57 4.383 1.236 -7.837 1.00 0.00 N ATOM 791 CA ARG A 57 5.111 0.078 -7.350 1.00 0.00 C ATOM 792 C ARG A 57 6.153 0.504 -6.313 1.00 0.00 C ATOM 793 O ARG A 57 6.707 1.599 -6.399 1.00 0.00 O ATOM 794 CB ARG A 57 5.813 -0.655 -8.495 1.00 0.00 C ATOM 795 CG ARG A 57 4.955 -1.810 -9.014 1.00 0.00 C ATOM 796 CD ARG A 57 4.883 -2.943 -7.988 1.00 0.00 C ATOM 797 NE ARG A 57 4.108 -4.077 -8.539 1.00 0.00 N ATOM 798 CZ ARG A 57 4.532 -4.860 -9.540 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.724 -4.635 -10.108 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.761 -5.866 -9.976 1.00 0.00 N ATOM 0 H ARG A 57 4.174 1.219 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 57 4.389 -0.597 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.019 0.043 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.774 -1.037 -8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.950 -1.450 -9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.372 -2.186 -9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.889 -3.272 -7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.416 -2.585 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 57 3.194 -4.275 -8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.309 -3.867 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.047 -5.231 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.852 -6.035 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.083 -6.462 -10.738 1.00 0.00 H new ATOM 811 N PRO A 58 6.392 -0.406 -5.331 1.00 0.00 N ATOM 812 CA PRO A 58 7.357 -0.136 -4.279 1.00 0.00 C ATOM 813 C PRO A 58 8.789 -0.269 -4.800 1.00 0.00 C ATOM 814 O PRO A 58 9.734 0.184 -4.156 1.00 0.00 O ATOM 815 CB PRO A 58 7.030 -1.133 -3.179 1.00 0.00 C ATOM 816 CG PRO A 58 6.204 -2.225 -3.839 1.00 0.00 C ATOM 817 CD PRO A 58 5.754 -1.713 -5.198 1.00 0.00 C ATOM 0 HA PRO A 58 7.294 0.885 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.940 -1.543 -2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.474 -0.656 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.794 -3.135 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.342 -2.477 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.062 -2.387 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.668 -1.631 -5.251 1.00 0.00 H new ATOM 822 N ALA A 59 8.906 -0.894 -5.963 1.00 0.00 N ATOM 823 CA ALA A 59 10.207 -1.093 -6.580 1.00 0.00 C ATOM 824 C ALA A 59 10.576 0.149 -7.393 1.00 0.00 C ATOM 825 O ALA A 59 11.755 0.431 -7.601 1.00 0.00 O ATOM 826 CB ALA A 59 10.179 -2.362 -7.432 1.00 0.00 C ATOM 0 H ALA A 59 8.121 -1.269 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 59 10.976 -1.229 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.155 -2.511 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.942 -3.219 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.421 -2.262 -8.209 1.00 0.00 H new ATOM 832 N GLU A 60 9.546 0.857 -7.833 1.00 0.00 N ATOM 833 CA GLU A 60 9.747 2.061 -8.620 1.00 0.00 C ATOM 834 C GLU A 60 10.103 3.238 -7.709 1.00 0.00 C ATOM 835 O GLU A 60 10.709 4.212 -8.154 1.00 0.00 O ATOM 836 CB GLU A 60 8.511 2.377 -9.465 1.00 0.00 C ATOM 837 CG GLU A 60 8.204 1.235 -10.435 1.00 0.00 C ATOM 838 CD GLU A 60 7.098 1.631 -11.415 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.431 2.329 -12.396 1.00 0.00 O ATOM 840 OE2 GLU A 60 5.943 1.225 -11.160 1.00 0.00 O ATOM 0 H GLU A 60 8.569 0.619 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 60 10.579 1.890 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.654 2.546 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.673 3.299 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.106 0.969 -10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.900 0.350 -9.876 1.00 0.00 H new ATOM 845 N TYR A 61 9.712 3.109 -6.449 1.00 0.00 N ATOM 846 CA TYR A 61 9.982 4.150 -5.472 1.00 0.00 C ATOM 847 C TYR A 61 11.482 4.261 -5.190 1.00 0.00 C ATOM 848 O TYR A 61 12.251 3.370 -5.547 1.00 0.00 O ATOM 849 CB TYR A 61 9.265 3.721 -4.190 1.00 0.00 C ATOM 850 CG TYR A 61 7.877 4.340 -4.016 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.649 5.644 -4.407 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.852 3.595 -3.468 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.343 6.227 -4.244 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.546 4.177 -3.305 1.00 0.00 C ATOM 855 CZ TYR A 61 5.356 5.466 -3.700 1.00 0.00 C ATOM 856 OH TYR A 61 4.122 6.015 -3.546 1.00 0.00 O ATOM 0 H TYR A 61 9.211 2.300 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 61 9.641 5.118 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.170 2.635 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.882 3.991 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.451 6.227 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.030 2.575 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.151 7.246 -4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.735 3.604 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 61 3.675 6.063 -4.417 1.00 0.00 H new ATOM 865 N ASP A 62 11.851 5.362 -4.553 1.00 0.00 N ATOM 866 CA ASP A 62 13.245 5.602 -4.220 1.00 0.00 C ATOM 867 C ASP A 62 13.584 4.881 -2.914 1.00 0.00 C ATOM 868 O ASP A 62 12.733 4.207 -2.334 1.00 0.00 O ATOM 869 CB ASP A 62 13.515 7.095 -4.019 1.00 0.00 C ATOM 870 CG ASP A 62 12.390 8.023 -4.480 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.921 7.823 -5.621 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.024 8.911 -3.681 1.00 0.00 O ATOM 0 H ASP A 62 11.209 6.098 -4.258 1.00 0.00 H new ATOM 0 HA ASP A 62 13.856 5.233 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.704 7.275 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.426 7.359 -4.555 1.00 0.00 H new ATOM 876 N PRO A 63 14.861 5.050 -2.478 1.00 0.00 N ATOM 877 CA PRO A 63 15.323 4.422 -1.251 1.00 0.00 C ATOM 878 C PRO A 63 14.770 5.149 -0.023 1.00 0.00 C ATOM 879 O PRO A 63 14.223 4.519 0.881 1.00 0.00 O ATOM 880 CB PRO A 63 16.840 4.465 -1.334 1.00 0.00 C ATOM 881 CG PRO A 63 17.171 5.522 -2.376 1.00 0.00 C ATOM 882 CD PRO A 63 15.896 5.839 -3.140 1.00 0.00 C ATOM 0 HA PRO A 63 14.973 3.395 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.277 4.719 -0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.243 3.494 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.563 6.420 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.943 5.160 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.667 6.904 -3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.987 5.569 -4.192 1.00 0.00 H new ATOM 887 N LYS A 64 14.935 6.463 -0.030 1.00 0.00 N ATOM 888 CA LYS A 64 14.460 7.282 1.073 1.00 0.00 C ATOM 889 C LYS A 64 12.929 7.278 1.083 1.00 0.00 C ATOM 890 O LYS A 64 12.311 7.551 2.111 1.00 0.00 O ATOM 891 CB LYS A 64 15.071 8.683 1.002 1.00 0.00 C ATOM 892 CG LYS A 64 16.441 8.719 1.680 1.00 0.00 C ATOM 893 CD LYS A 64 17.523 8.146 0.760 1.00 0.00 C ATOM 894 CE LYS A 64 18.920 8.483 1.283 1.00 0.00 C ATOM 895 NZ LYS A 64 19.799 8.915 0.173 1.00 0.00 N ATOM 0 H LYS A 64 15.391 6.981 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 64 14.787 6.865 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.169 8.988 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.404 9.399 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.692 9.746 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.407 8.147 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.409 7.064 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.400 8.548 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.854 9.273 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.350 7.612 1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.744 9.140 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.876 8.150 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.396 9.759 -0.281 1.00 0.00 H new ATOM 905 N ALA A 65 12.362 6.966 -0.073 1.00 0.00 N ATOM 906 CA ALA A 65 10.917 6.923 -0.210 1.00 0.00 C ATOM 907 C ALA A 65 10.364 5.765 0.624 1.00 0.00 C ATOM 908 O ALA A 65 9.534 5.973 1.508 1.00 0.00 O ATOM 909 CB ALA A 65 10.547 6.803 -1.690 1.00 0.00 C ATOM 0 H ALA A 65 12.878 6.741 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 65 10.469 7.843 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.462 6.771 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.937 7.663 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.977 5.889 -2.100 1.00 0.00 H new ATOM 915 N LEU A 66 10.847 4.570 0.314 1.00 0.00 N ATOM 916 CA LEU A 66 10.410 3.380 1.024 1.00 0.00 C ATOM 917 C LEU A 66 10.468 3.640 2.531 1.00 0.00 C ATOM 918 O LEU A 66 9.553 3.269 3.263 1.00 0.00 O ATOM 919 CB LEU A 66 11.224 2.163 0.578 1.00 0.00 C ATOM 920 CG LEU A 66 11.176 1.834 -0.916 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.232 0.790 -1.282 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.770 1.399 -1.335 1.00 0.00 C ATOM 0 H LEU A 66 11.536 4.401 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 66 9.373 3.149 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.264 2.323 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.873 1.293 1.133 1.00 0.00 H new ATOM 0 HG LEU A 66 11.413 2.740 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.176 0.575 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.223 1.175 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.051 -0.124 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.762 1.171 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.481 0.512 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.064 2.204 -1.131 1.00 0.00 H new ATOM 933 N MET A 67 11.554 4.276 2.948 1.00 0.00 N ATOM 934 CA MET A 67 11.742 4.591 4.354 1.00 0.00 C ATOM 935 C MET A 67 10.691 5.591 4.838 1.00 0.00 C ATOM 936 O MET A 67 10.266 5.541 5.991 1.00 0.00 O ATOM 937 CB MET A 67 13.140 5.176 4.562 1.00 0.00 C ATOM 938 CG MET A 67 14.178 4.067 4.742 1.00 0.00 C ATOM 939 SD MET A 67 15.819 4.769 4.794 1.00 0.00 S ATOM 940 CE MET A 67 16.274 4.620 3.074 1.00 0.00 C ATOM 0 H MET A 67 12.312 4.581 2.337 1.00 0.00 H new ATOM 0 HA MET A 67 11.633 3.673 4.931 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.410 5.796 3.707 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.140 5.824 5.438 1.00 0.00 H new ATOM 0 HG2 MET A 67 13.979 3.517 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.105 3.353 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.085 3.898 2.973 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.413 4.281 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.603 5.589 2.699 1.00 0.00 H new ATOM 948 N ALA A 68 10.302 6.476 3.932 1.00 0.00 N ATOM 949 CA ALA A 68 9.309 7.487 4.254 1.00 0.00 C ATOM 950 C ALA A 68 7.915 6.858 4.212 1.00 0.00 C ATOM 951 O ALA A 68 7.005 7.312 4.903 1.00 0.00 O ATOM 952 CB ALA A 68 9.446 8.664 3.283 1.00 0.00 C ATOM 0 H ALA A 68 10.656 6.514 2.976 1.00 0.00 H new ATOM 0 HA ALA A 68 9.467 7.873 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.702 9.423 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.444 9.094 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.290 8.314 2.263 1.00 0.00 H new ATOM 958 N ILE A 69 7.793 5.821 3.397 1.00 0.00 N ATOM 959 CA ILE A 69 6.525 5.124 3.258 1.00 0.00 C ATOM 960 C ILE A 69 6.248 4.319 4.529 1.00 0.00 C ATOM 961 O ILE A 69 5.129 4.325 5.040 1.00 0.00 O ATOM 962 CB ILE A 69 6.515 4.280 1.981 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.720 5.156 0.743 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.237 3.443 1.887 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.448 4.385 -0.360 1.00 0.00 C ATOM 0 H ILE A 69 8.551 5.446 2.826 1.00 0.00 H new ATOM 0 HA ILE A 69 5.708 5.837 3.148 1.00 0.00 H new ATOM 0 HB ILE A 69 7.353 3.584 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.754 5.501 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.294 6.043 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.255 2.853 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.175 2.776 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.370 4.103 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.581 5.030 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.423 4.062 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.859 3.512 -0.643 1.00 0.00 H new ATOM 976 N LEU A 70 7.286 3.646 5.003 1.00 0.00 N ATOM 977 CA LEU A 70 7.168 2.838 6.205 1.00 0.00 C ATOM 978 C LEU A 70 7.005 3.757 7.418 1.00 0.00 C ATOM 979 O LEU A 70 6.377 3.382 8.406 1.00 0.00 O ATOM 980 CB LEU A 70 8.349 1.872 6.319 1.00 0.00 C ATOM 981 CG LEU A 70 8.704 1.095 5.050 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.218 0.914 4.925 1.00 0.00 C ATOM 983 CD2 LEU A 70 7.961 -0.242 5.000 1.00 0.00 C ATOM 0 H LEU A 70 8.213 3.644 4.577 1.00 0.00 H new ATOM 0 HA LEU A 70 6.277 2.212 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.227 2.438 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.132 1.156 7.111 1.00 0.00 H new ATOM 0 HG LEU A 70 8.376 1.678 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.444 0.359 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.699 1.891 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.591 0.363 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.231 -0.774 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.236 -0.844 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.886 -0.061 5.010 1.00 0.00 H new ATOM 994 N GLU A 71 7.584 4.944 7.303 1.00 0.00 N ATOM 995 CA GLU A 71 7.511 5.919 8.378 1.00 0.00 C ATOM 996 C GLU A 71 6.159 6.634 8.354 1.00 0.00 C ATOM 997 O GLU A 71 5.555 6.862 9.401 1.00 0.00 O ATOM 998 CB GLU A 71 8.664 6.921 8.288 1.00 0.00 C ATOM 999 CG GLU A 71 9.944 6.339 8.890 1.00 0.00 C ATOM 1000 CD GLU A 71 11.043 7.400 8.970 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.879 8.328 9.791 1.00 0.00 O ATOM 1002 OE2 GLU A 71 12.025 7.259 8.208 1.00 0.00 O ATOM 0 H GLU A 71 8.105 5.252 6.482 1.00 0.00 H new ATOM 0 HA GLU A 71 7.604 5.393 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.837 7.189 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.395 7.838 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.737 5.949 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.287 5.500 8.284 1.00 0.00 H new ATOM 1007 N HIS A 72 5.724 6.969 7.148 1.00 0.00 N ATOM 1008 CA HIS A 72 4.454 7.654 6.975 1.00 0.00 C ATOM 1009 C HIS A 72 3.322 6.627 6.901 1.00 0.00 C ATOM 1010 O HIS A 72 2.148 6.987 6.960 1.00 0.00 O ATOM 1011 CB HIS A 72 4.497 8.578 5.756 1.00 0.00 C ATOM 1012 CG HIS A 72 5.499 9.702 5.873 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.172 11.025 5.629 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.820 9.687 6.210 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.257 11.764 5.813 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.277 10.933 6.172 1.00 0.00 N ATOM 0 H HIS A 72 6.228 6.779 6.282 1.00 0.00 H new ATOM 0 HA HIS A 72 4.261 8.293 7.837 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.732 7.986 4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.506 9.003 5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.397 8.810 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.322 12.836 5.699 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.234 11.221 6.378 1.00 0.00 H new ATOM 1023 N SER A 73 3.716 5.369 6.773 1.00 0.00 N ATOM 1024 CA SER A 73 2.749 4.287 6.690 1.00 0.00 C ATOM 1025 C SER A 73 1.678 4.460 7.768 1.00 0.00 C ATOM 1026 O SER A 73 0.508 4.153 7.540 1.00 0.00 O ATOM 1027 CB SER A 73 3.433 2.926 6.834 1.00 0.00 C ATOM 1028 OG SER A 73 3.173 2.329 8.101 1.00 0.00 O ATOM 0 H SER A 73 4.691 5.074 6.725 1.00 0.00 H new ATOM 0 HA SER A 73 2.277 4.324 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.088 2.261 6.042 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.509 3.045 6.703 1.00 0.00 H new ATOM 0 HG SER A 73 3.626 1.461 8.153 1.00 0.00 H new ATOM 1033 N HIS A 74 2.115 4.950 8.919 1.00 0.00 N ATOM 1034 CA HIS A 74 1.208 5.166 10.033 1.00 0.00 C ATOM 1035 C HIS A 74 -0.003 5.973 9.559 1.00 0.00 C ATOM 1036 O HIS A 74 -1.060 5.941 10.188 1.00 0.00 O ATOM 1037 CB HIS A 74 1.935 5.824 11.207 1.00 0.00 C ATOM 1038 CG HIS A 74 1.790 7.327 11.256 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.672 7.954 11.778 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.632 8.317 10.845 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.845 9.264 11.679 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.059 9.487 11.100 1.00 0.00 N ATOM 0 H HIS A 74 3.086 5.204 9.104 1.00 0.00 H new ATOM 0 HA HIS A 74 0.842 4.207 10.400 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.556 5.402 12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.994 5.573 11.151 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.145 7.488 12.172 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.601 8.174 10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.147 10.022 12.001 1.00 0.00 H new ATOM 1049 N ARG A 75 0.192 6.678 8.454 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.871 7.492 7.889 1.00 0.00 C ATOM 1051 C ARG A 75 -1.461 6.811 6.653 1.00 0.00 C ATOM 1052 O ARG A 75 -2.670 6.857 6.432 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.355 8.879 7.502 1.00 0.00 C ATOM 1054 CG ARG A 75 0.830 9.289 8.378 1.00 0.00 C ATOM 1055 CD ARG A 75 0.856 10.803 8.594 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.400 11.243 9.241 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.623 12.490 9.678 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.323 13.428 9.540 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -1.794 12.798 10.253 1.00 0.00 N ATOM 0 H ARG A 75 1.070 6.702 7.935 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.644 7.604 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.054 8.879 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.157 9.610 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.767 8.782 9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.761 8.969 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.709 11.076 9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.981 11.313 7.639 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.142 10.554 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.214 13.193 9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.153 14.377 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.514 12.083 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.965 13.747 10.586 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.579 6.196 5.878 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.997 5.506 4.669 1.00 0.00 C ATOM 1072 C ILE A 76 -2.308 4.764 4.939 1.00 0.00 C ATOM 1073 O ILE A 76 -2.374 3.917 5.828 1.00 0.00 O ATOM 1074 CB ILE A 76 0.125 4.604 4.152 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.338 5.431 3.722 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.377 3.695 3.028 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.415 4.541 3.097 1.00 0.00 C ATOM 0 H ILE A 76 0.423 6.161 6.064 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.193 6.221 3.870 1.00 0.00 H new ATOM 0 HB ILE A 76 0.449 3.958 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.028 6.191 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.750 5.955 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.440 3.064 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.186 3.067 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.743 4.305 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.266 5.154 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.740 3.797 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.007 4.037 2.221 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.318 5.109 4.154 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.624 4.486 4.297 1.00 0.00 C ATOM 1090 C ARG A 77 -5.250 4.246 2.922 1.00 0.00 C ATOM 1091 O ARG A 77 -5.286 5.149 2.087 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.562 5.359 5.132 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.502 4.969 6.611 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.908 4.790 7.188 1.00 0.00 C ATOM 1095 NE ARG A 77 -7.216 5.894 8.123 1.00 0.00 N ATOM 1096 CZ ARG A 77 -8.414 6.085 8.692 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -9.424 5.246 8.424 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -8.603 7.115 9.528 1.00 0.00 N ATOM 0 H ARG A 77 -3.259 5.812 3.417 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.483 3.533 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.287 6.408 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.583 5.255 4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.938 4.043 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.970 5.737 7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.641 4.770 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.978 3.834 7.706 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.469 6.551 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.281 4.462 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.336 5.391 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.835 7.754 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.515 7.260 9.961 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.728 3.026 2.729 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.351 2.656 1.470 1.00 0.00 C ATOM 1111 C PHE A 78 -7.840 3.008 1.471 1.00 0.00 C ATOM 1112 O PHE A 78 -8.509 2.888 2.497 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.197 1.141 1.322 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.833 0.703 0.784 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.697 1.281 1.261 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.756 -0.263 -0.170 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.431 0.875 0.762 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.489 -0.668 -0.669 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.354 -0.091 -0.192 1.00 0.00 C ATOM 0 H PHE A 78 -5.696 2.280 3.424 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.878 3.195 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.360 0.673 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.975 0.771 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.758 2.048 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.658 -0.722 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.529 1.333 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.427 -1.434 -1.427 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.391 -0.400 -0.571 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.316 3.434 0.310 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.713 3.804 0.164 1.00 0.00 C ATOM 1130 C LYS A 79 -10.288 3.125 -1.080 1.00 0.00 C ATOM 1131 O LYS A 79 -9.846 3.390 -2.197 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.867 5.326 0.161 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.178 5.847 1.566 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.687 5.908 1.807 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.263 7.248 1.346 1.00 0.00 C ATOM 1136 NZ LYS A 79 -12.214 8.239 2.445 1.00 0.00 N ATOM 0 H LYS A 79 -7.758 3.531 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.292 3.450 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.951 5.787 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.666 5.613 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.713 5.199 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.745 6.839 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.177 5.094 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.895 5.764 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.699 7.618 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.293 7.113 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.609 9.143 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.772 7.891 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.227 8.380 2.742 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.267 2.262 -0.846 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.906 1.543 -1.935 1.00 0.00 C ATOM 1148 C LEU A 80 -13.117 2.341 -2.424 1.00 0.00 C ATOM 1149 O LEU A 80 -13.707 3.108 -1.665 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.244 0.114 -1.507 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.096 -0.896 -1.577 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.576 -2.299 -1.200 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.426 -0.870 -2.952 1.00 0.00 C ATOM 0 H LEU A 80 -11.633 2.045 0.081 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.224 1.445 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.616 0.141 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.059 -0.249 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.342 -0.606 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.741 -2.997 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.970 -2.288 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.360 -2.613 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.614 -1.597 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.159 -1.121 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.027 0.126 -3.144 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.452 2.131 -3.689 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.581 2.821 -4.288 1.00 0.00 C ATOM 1166 C LYS A 81 -15.817 2.628 -3.407 1.00 0.00 C ATOM 1167 O LYS A 81 -16.032 1.547 -2.861 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.781 2.365 -5.735 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.412 0.972 -5.789 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.602 0.038 -6.690 1.00 0.00 C ATOM 1171 CE LYS A 81 -14.881 -1.428 -6.352 1.00 0.00 C ATOM 1172 NZ LYS A 81 -15.443 -2.132 -7.527 1.00 0.00 N ATOM 0 H LYS A 81 -12.961 1.493 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.389 3.893 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.418 3.077 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.822 2.354 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.468 0.555 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.434 1.046 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.851 0.228 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.538 0.246 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.960 -1.916 -6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.578 -1.489 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.627 -3.126 -7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.333 -1.676 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.765 -2.090 -8.314 1.00 0.00 H new