USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 64 GLN : amide:sc= -14.5! C(o=-15!,f=-19!) USER MOD Set 1.2: A 65 SER OG : rot -85:sc= -0.163 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 165:sc= 0.43 (180deg=0) USER MOD Set 2.2: A 14 ASN : amide:sc= -3.64! C(o=-3.2!,f=-5.9!) USER MOD Single : A 2 ASN : amide:sc= 0.813 K(o=0.81,f=-0.12) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -2.95! (180deg=-3.88!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -113:sc= -2.35 (180deg=-4.46!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.3! C(o=-4.3!,f=-1.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.62) USER MOD Single : A 58 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-0.75) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 75 GLN : amide:sc= -1.7! C(o=-1.7!,f=-3!) USER MOD Single : A 76 ASN : amide:sc= -8.28! C(o=-8.3!,f=-11!) USER MOD Single : A 78 MET CE :methyl -157:sc= -7.51! (180deg=-7.99!) USER MOD Single : A 80 LYS NZ :NH3+ -136:sc= -6.95! (180deg=-8.75!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -4.162 -6.460 11.967 1.00 0.00 N ATOM 21 CA ASN A 2 -3.142 -5.642 12.611 1.00 0.00 C ATOM 22 C ASN A 2 -1.844 -5.660 11.815 1.00 0.00 C ATOM 23 O ASN A 2 -1.092 -4.690 11.819 1.00 0.00 O ATOM 24 CB ASN A 2 -2.879 -6.124 14.038 1.00 0.00 C ATOM 25 CG ASN A 2 -4.019 -5.792 14.982 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.799 -5.330 16.101 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.248 -6.024 14.533 1.00 0.00 N ATOM 0 HA ASN A 2 -3.516 -4.619 12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.720 -7.202 14.030 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.960 -5.669 14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.054 -5.818 15.123 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.385 -6.408 13.598 1.00 0.00 H new ATOM 34 N ASP A 3 -1.585 -6.772 11.146 1.00 0.00 N ATOM 35 CA ASP A 3 -0.370 -6.921 10.351 1.00 0.00 C ATOM 36 C ASP A 3 -0.316 -5.891 9.228 1.00 0.00 C ATOM 37 O ASP A 3 0.731 -5.303 8.958 1.00 0.00 O ATOM 38 CB ASP A 3 -0.286 -8.333 9.769 1.00 0.00 C ATOM 39 CG ASP A 3 -0.850 -9.380 10.709 1.00 0.00 C ATOM 40 OD1 ASP A 3 -0.172 -9.711 11.705 1.00 0.00 O ATOM 41 OD2 ASP A 3 -1.968 -9.870 10.448 1.00 0.00 O ATOM 0 H ASP A 3 -2.198 -7.587 11.136 1.00 0.00 H new ATOM 0 HA ASP A 3 0.483 -6.754 11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.829 -8.367 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.754 -8.570 9.547 1.00 0.00 H new ATOM 46 N VAL A 4 -1.451 -5.686 8.578 1.00 0.00 N ATOM 47 CA VAL A 4 -1.545 -4.733 7.477 1.00 0.00 C ATOM 48 C VAL A 4 -1.437 -3.295 7.972 1.00 0.00 C ATOM 49 O VAL A 4 -0.704 -2.491 7.407 1.00 0.00 O ATOM 50 CB VAL A 4 -2.863 -4.898 6.697 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.795 -6.112 5.783 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.039 -5.007 7.655 1.00 0.00 C ATOM 0 H VAL A 4 -2.324 -6.167 8.793 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.708 -4.946 6.812 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.010 -4.014 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.735 -6.212 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.978 -5.987 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.624 -7.008 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.962 -5.123 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.901 -5.872 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.098 -4.104 8.263 1.00 0.00 H new ATOM 62 N LEU A 5 -2.174 -2.978 9.027 1.00 0.00 N ATOM 63 CA LEU A 5 -2.164 -1.639 9.599 1.00 0.00 C ATOM 64 C LEU A 5 -0.812 -1.319 10.219 1.00 0.00 C ATOM 65 O LEU A 5 -0.362 -0.180 10.204 1.00 0.00 O ATOM 66 CB LEU A 5 -3.265 -1.501 10.648 1.00 0.00 C ATOM 67 CG LEU A 5 -4.383 -0.522 10.290 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.563 -1.261 9.675 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.824 0.258 11.520 1.00 0.00 C ATOM 0 H LEU A 5 -2.790 -3.634 9.507 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.349 -0.928 8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.705 -2.483 10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.812 -1.184 11.588 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.999 0.185 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.349 -0.548 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.239 -1.774 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.947 -1.991 10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.620 0.950 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.190 -0.434 12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.978 0.818 11.918 1.00 0.00 H new ATOM 81 N THR A 6 -0.180 -2.333 10.780 1.00 0.00 N ATOM 82 CA THR A 6 1.114 -2.165 11.425 1.00 0.00 C ATOM 83 C THR A 6 2.162 -1.636 10.453 1.00 0.00 C ATOM 84 O THR A 6 2.779 -0.596 10.688 1.00 0.00 O ATOM 85 CB THR A 6 1.587 -3.492 12.018 1.00 0.00 C ATOM 86 OG1 THR A 6 1.888 -3.346 13.394 1.00 0.00 O ATOM 87 CG2 THR A 6 2.820 -4.041 11.336 1.00 0.00 C ATOM 0 H THR A 6 -0.542 -3.286 10.803 1.00 0.00 H new ATOM 0 HA THR A 6 0.990 -1.432 12.222 1.00 0.00 H new ATOM 0 HB THR A 6 0.763 -4.189 11.866 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.187 -4.206 13.756 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.105 -4.984 11.803 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.608 -4.209 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.638 -3.327 11.432 1.00 0.00 H new ATOM 95 N ARG A 7 2.362 -2.367 9.367 1.00 0.00 N ATOM 96 CA ARG A 7 3.339 -1.995 8.358 1.00 0.00 C ATOM 97 C ARG A 7 2.816 -0.875 7.471 1.00 0.00 C ATOM 98 O ARG A 7 3.532 0.079 7.169 1.00 0.00 O ATOM 99 CB ARG A 7 3.706 -3.209 7.502 1.00 0.00 C ATOM 100 CG ARG A 7 4.606 -2.873 6.325 1.00 0.00 C ATOM 101 CD ARG A 7 3.796 -2.537 5.083 1.00 0.00 C ATOM 102 NE ARG A 7 4.165 -3.373 3.945 1.00 0.00 N ATOM 103 CZ ARG A 7 5.224 -3.144 3.177 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.014 -2.108 3.423 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.495 -3.951 2.159 1.00 0.00 N ATOM 0 H ARG A 7 1.855 -3.228 9.162 1.00 0.00 H new ATOM 0 HA ARG A 7 4.230 -1.635 8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.203 -3.949 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.791 -3.670 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.245 -2.029 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.263 -3.717 6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.735 -2.665 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.946 -1.488 4.826 1.00 0.00 H new ATOM 0 HE ARG A 7 3.577 -4.178 3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.809 -1.484 4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.827 -1.935 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.890 -4.749 1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.309 -3.774 1.570 1.00 0.00 H new ATOM 119 N VAL A 8 1.567 -1.006 7.045 1.00 0.00 N ATOM 120 CA VAL A 8 0.951 -0.012 6.181 1.00 0.00 C ATOM 121 C VAL A 8 0.874 1.347 6.866 1.00 0.00 C ATOM 122 O VAL A 8 1.284 2.360 6.299 1.00 0.00 O ATOM 123 CB VAL A 8 -0.463 -0.439 5.745 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.516 0.205 6.634 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.700 -0.085 4.284 1.00 0.00 C ATOM 0 H VAL A 8 0.962 -1.791 7.284 1.00 0.00 H new ATOM 0 HA VAL A 8 1.584 0.068 5.297 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.544 -1.521 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.508 -0.109 6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.358 -0.103 7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.438 1.290 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.704 -0.394 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.598 0.992 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.032 -0.599 3.662 1.00 0.00 H new ATOM 135 N LEU A 9 0.349 1.365 8.086 1.00 0.00 N ATOM 136 CA LEU A 9 0.227 2.609 8.842 1.00 0.00 C ATOM 137 C LEU A 9 1.592 3.262 9.032 1.00 0.00 C ATOM 138 O LEU A 9 1.744 4.469 8.843 1.00 0.00 O ATOM 139 CB LEU A 9 -0.420 2.352 10.205 1.00 0.00 C ATOM 140 CG LEU A 9 0.557 2.238 11.377 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.812 3.604 11.995 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.021 1.272 12.421 1.00 0.00 C ATOM 0 H LEU A 9 0.002 0.538 8.572 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.409 3.286 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.122 3.159 10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.001 1.432 10.146 1.00 0.00 H new ATOM 0 HG LEU A 9 1.504 1.850 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.509 3.503 12.827 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.238 4.269 11.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.128 4.020 12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.727 1.202 13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.938 1.633 12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.111 0.288 11.972 1.00 0.00 H new ATOM 154 N GLU A 10 2.584 2.456 9.400 1.00 0.00 N ATOM 155 CA GLU A 10 3.935 2.957 9.609 1.00 0.00 C ATOM 156 C GLU A 10 4.527 3.460 8.301 1.00 0.00 C ATOM 157 O GLU A 10 5.311 4.409 8.277 1.00 0.00 O ATOM 158 CB GLU A 10 4.826 1.862 10.199 1.00 0.00 C ATOM 159 CG GLU A 10 5.141 0.743 9.221 1.00 0.00 C ATOM 160 CD GLU A 10 6.613 0.375 9.211 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.318 0.720 10.183 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.060 -0.258 8.232 1.00 0.00 O ATOM 0 H GLU A 10 2.476 1.454 9.559 1.00 0.00 H new ATOM 0 HA GLU A 10 3.885 3.788 10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.760 2.309 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.336 1.440 11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.552 -0.137 9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.839 1.046 8.218 1.00 0.00 H new ATOM 169 N VAL A 11 4.148 2.802 7.216 1.00 0.00 N ATOM 170 CA VAL A 11 4.632 3.154 5.888 1.00 0.00 C ATOM 171 C VAL A 11 4.284 4.589 5.521 1.00 0.00 C ATOM 172 O VAL A 11 5.155 5.384 5.172 1.00 0.00 O ATOM 173 CB VAL A 11 4.059 2.212 4.826 1.00 0.00 C ATOM 174 CG1 VAL A 11 3.768 2.962 3.537 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.005 1.047 4.578 1.00 0.00 C ATOM 0 H VAL A 11 3.501 2.014 7.229 1.00 0.00 H new ATOM 0 HA VAL A 11 5.717 3.054 5.915 1.00 0.00 H new ATOM 0 HB VAL A 11 3.117 1.810 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.362 2.271 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.043 3.753 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.690 3.401 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.580 0.389 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.966 1.426 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.147 0.490 5.504 1.00 0.00 H new ATOM 185 N VAL A 12 3.002 4.908 5.598 1.00 0.00 N ATOM 186 CA VAL A 12 2.518 6.245 5.270 1.00 0.00 C ATOM 187 C VAL A 12 3.030 7.280 6.266 1.00 0.00 C ATOM 188 O VAL A 12 3.517 8.344 5.877 1.00 0.00 O ATOM 189 CB VAL A 12 0.979 6.293 5.245 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.460 6.033 3.840 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.397 5.290 6.231 1.00 0.00 C ATOM 0 H VAL A 12 2.272 4.257 5.886 1.00 0.00 H new ATOM 0 HA VAL A 12 2.900 6.483 4.277 1.00 0.00 H new ATOM 0 HB VAL A 12 0.660 7.291 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.629 6.071 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.848 6.793 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.788 5.048 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.691 5.338 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.724 4.285 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.742 5.527 7.238 1.00 0.00 H new ATOM 201 N LYS A 13 2.915 6.965 7.551 1.00 0.00 N ATOM 202 CA LYS A 13 3.364 7.870 8.602 1.00 0.00 C ATOM 203 C LYS A 13 4.818 8.274 8.384 1.00 0.00 C ATOM 204 O LYS A 13 5.156 9.457 8.427 1.00 0.00 O ATOM 205 CB LYS A 13 3.209 7.206 9.970 1.00 0.00 C ATOM 206 CG LYS A 13 4.232 6.114 10.230 1.00 0.00 C ATOM 207 CD LYS A 13 4.061 5.510 11.614 1.00 0.00 C ATOM 208 CE LYS A 13 4.359 6.525 12.705 1.00 0.00 C ATOM 209 NZ LYS A 13 5.794 6.517 13.095 1.00 0.00 N ATOM 0 H LYS A 13 2.515 6.090 7.890 1.00 0.00 H new ATOM 0 HA LYS A 13 2.746 8.767 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.295 7.966 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.208 6.782 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.132 5.333 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.237 6.525 10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.042 5.141 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.725 4.652 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.083 7.521 12.359 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.744 6.309 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.010 7.375 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.991 5.677 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.386 6.494 12.240 1.00 0.00 H new ATOM 223 N ASN A 14 5.671 7.284 8.149 1.00 0.00 N ATOM 224 CA ASN A 14 7.084 7.532 7.924 1.00 0.00 C ATOM 225 C ASN A 14 7.345 7.894 6.467 1.00 0.00 C ATOM 226 O ASN A 14 8.477 8.187 6.083 1.00 0.00 O ATOM 227 CB ASN A 14 7.909 6.306 8.316 1.00 0.00 C ATOM 228 CG ASN A 14 7.547 5.780 9.690 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.714 6.471 10.696 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.049 4.549 9.741 1.00 0.00 N ATOM 0 H ASN A 14 5.405 6.300 8.110 1.00 0.00 H new ATOM 0 HA ASN A 14 7.384 8.374 8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.758 5.519 7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.968 6.563 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.788 4.141 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.928 4.012 8.882 1.00 0.00 H new ATOM 237 N PHE A 15 6.290 7.869 5.658 1.00 0.00 N ATOM 238 CA PHE A 15 6.406 8.194 4.243 1.00 0.00 C ATOM 239 C PHE A 15 6.973 9.591 4.049 1.00 0.00 C ATOM 240 O PHE A 15 8.113 9.758 3.616 1.00 0.00 O ATOM 241 CB PHE A 15 5.044 8.081 3.556 1.00 0.00 C ATOM 242 CG PHE A 15 5.057 7.193 2.346 1.00 0.00 C ATOM 243 CD1 PHE A 15 5.452 7.685 1.112 1.00 0.00 C ATOM 244 CD2 PHE A 15 4.676 5.864 2.442 1.00 0.00 C ATOM 245 CE1 PHE A 15 5.466 6.868 -0.003 1.00 0.00 C ATOM 246 CE2 PHE A 15 4.687 5.043 1.331 1.00 0.00 C ATOM 247 CZ PHE A 15 5.083 5.546 0.107 1.00 0.00 C ATOM 0 H PHE A 15 5.346 7.627 5.959 1.00 0.00 H new ATOM 0 HA PHE A 15 7.092 7.479 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.316 7.698 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.710 9.076 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.752 8.718 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.367 5.465 3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.776 7.263 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.386 4.009 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.093 4.906 -0.763 1.00 0.00 H new ATOM 257 N GLU A 16 6.167 10.590 4.371 1.00 0.00 N ATOM 258 CA GLU A 16 6.585 11.981 4.230 1.00 0.00 C ATOM 259 C GLU A 16 5.417 12.938 4.443 1.00 0.00 C ATOM 260 O GLU A 16 5.613 14.100 4.801 1.00 0.00 O ATOM 261 CB GLU A 16 7.187 12.208 2.844 1.00 0.00 C ATOM 262 CG GLU A 16 6.149 12.514 1.781 1.00 0.00 C ATOM 263 CD GLU A 16 6.429 13.812 1.047 1.00 0.00 C ATOM 264 OE1 GLU A 16 6.635 14.842 1.722 1.00 0.00 O ATOM 265 OE2 GLU A 16 6.441 13.798 -0.202 1.00 0.00 O ATOM 0 H GLU A 16 5.221 10.467 4.731 1.00 0.00 H new ATOM 0 HA GLU A 16 7.335 12.183 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.898 13.032 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.748 11.321 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.118 11.695 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.164 12.569 2.245 1.00 0.00 H new ATOM 272 N LYS A 17 4.203 12.450 4.212 1.00 0.00 N ATOM 273 CA LYS A 17 3.009 13.272 4.368 1.00 0.00 C ATOM 274 C LYS A 17 2.917 13.851 5.777 1.00 0.00 C ATOM 275 O LYS A 17 2.697 15.049 5.950 1.00 0.00 O ATOM 276 CB LYS A 17 1.755 12.456 4.042 1.00 0.00 C ATOM 277 CG LYS A 17 1.292 11.554 5.170 1.00 0.00 C ATOM 278 CD LYS A 17 1.762 10.129 4.955 1.00 0.00 C ATOM 279 CE LYS A 17 0.651 9.266 4.386 1.00 0.00 C ATOM 280 NZ LYS A 17 -0.418 9.005 5.388 1.00 0.00 N ATOM 0 H LYS A 17 4.020 11.491 3.917 1.00 0.00 H new ATOM 0 HA LYS A 17 3.079 14.104 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.947 13.140 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.951 11.846 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.675 11.928 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.204 11.576 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.615 10.123 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.104 9.709 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.219 9.758 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.067 8.318 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.977 8.179 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.014 8.817 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.039 9.836 5.457 1.00 0.00 H new ATOM 294 N VAL A 18 3.086 12.998 6.783 1.00 0.00 N ATOM 295 CA VAL A 18 3.020 13.439 8.172 1.00 0.00 C ATOM 296 C VAL A 18 3.133 12.260 9.132 1.00 0.00 C ATOM 297 O VAL A 18 3.142 11.103 8.713 1.00 0.00 O ATOM 298 CB VAL A 18 1.707 14.193 8.457 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.961 15.689 8.554 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.672 13.887 7.385 1.00 0.00 C ATOM 0 H VAL A 18 3.269 12.002 6.663 1.00 0.00 H new ATOM 0 HA VAL A 18 3.862 14.113 8.330 1.00 0.00 H new ATOM 0 HB VAL A 18 1.314 13.853 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.022 16.205 8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.665 15.887 9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.378 16.049 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.249 14.428 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.053 14.197 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.469 12.816 7.371 1.00 0.00 H new ATOM 310 N ASP A 19 3.215 12.563 10.424 1.00 0.00 N ATOM 311 CA ASP A 19 3.320 11.531 11.445 1.00 0.00 C ATOM 312 C ASP A 19 2.009 10.765 11.574 1.00 0.00 C ATOM 313 O ASP A 19 0.930 11.331 11.397 1.00 0.00 O ATOM 314 CB ASP A 19 3.699 12.152 12.791 1.00 0.00 C ATOM 315 CG ASP A 19 5.176 12.484 12.880 1.00 0.00 C ATOM 316 OD1 ASP A 19 6.001 11.552 12.774 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.507 13.676 13.055 1.00 0.00 O ATOM 0 H ASP A 19 3.211 13.516 10.787 1.00 0.00 H new ATOM 0 HA ASP A 19 4.101 10.833 11.145 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.116 13.060 12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.436 11.463 13.593 1.00 0.00 H new ATOM 322 N ALA A 20 2.106 9.476 11.880 1.00 0.00 N ATOM 323 CA ALA A 20 0.925 8.636 12.028 1.00 0.00 C ATOM 324 C ALA A 20 0.083 9.072 13.223 1.00 0.00 C ATOM 325 O ALA A 20 -1.086 8.701 13.340 1.00 0.00 O ATOM 326 CB ALA A 20 1.329 7.177 12.169 1.00 0.00 C ATOM 0 H ALA A 20 2.991 8.991 12.030 1.00 0.00 H new ATOM 0 HA ALA A 20 0.317 8.749 11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.436 6.561 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.879 6.864 11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.962 7.058 13.048 1.00 0.00 H new ATOM 332 N SER A 21 0.683 9.858 14.110 1.00 0.00 N ATOM 333 CA SER A 21 -0.012 10.340 15.296 1.00 0.00 C ATOM 334 C SER A 21 -1.133 11.302 14.918 1.00 0.00 C ATOM 335 O SER A 21 -2.059 11.529 15.696 1.00 0.00 O ATOM 336 CB SER A 21 0.971 11.031 16.243 1.00 0.00 C ATOM 337 OG SER A 21 1.597 10.093 17.102 1.00 0.00 O ATOM 0 H SER A 21 1.649 10.175 14.029 1.00 0.00 H new ATOM 0 HA SER A 21 -0.451 9.481 15.803 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.728 11.560 15.664 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.444 11.778 16.837 1.00 0.00 H new ATOM 0 HG SER A 21 2.222 10.559 17.696 1.00 0.00 H new ATOM 343 N LYS A 22 -1.041 11.863 13.719 1.00 0.00 N ATOM 344 CA LYS A 22 -2.043 12.800 13.234 1.00 0.00 C ATOM 345 C LYS A 22 -3.176 12.070 12.521 1.00 0.00 C ATOM 346 O LYS A 22 -4.247 12.633 12.296 1.00 0.00 O ATOM 347 CB LYS A 22 -1.403 13.816 12.287 1.00 0.00 C ATOM 348 CG LYS A 22 -0.723 13.180 11.086 1.00 0.00 C ATOM 349 CD LYS A 22 -1.345 13.647 9.780 1.00 0.00 C ATOM 350 CE LYS A 22 -1.088 15.125 9.538 1.00 0.00 C ATOM 351 NZ LYS A 22 -2.090 15.718 8.609 1.00 0.00 N ATOM 0 H LYS A 22 -0.280 11.684 13.064 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.459 13.324 14.095 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.169 14.507 11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.671 14.405 12.840 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.338 13.429 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.797 12.095 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.937 13.066 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.419 13.462 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.114 15.658 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.088 15.257 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.622 15.990 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.834 15.019 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.515 16.560 9.048 1.00 0.00 H new ATOM 365 N VAL A 23 -2.931 10.813 12.163 1.00 0.00 N ATOM 366 CA VAL A 23 -3.928 10.008 11.471 1.00 0.00 C ATOM 367 C VAL A 23 -5.121 9.710 12.371 1.00 0.00 C ATOM 368 O VAL A 23 -4.968 9.174 13.469 1.00 0.00 O ATOM 369 CB VAL A 23 -3.332 8.679 10.972 1.00 0.00 C ATOM 370 CG1 VAL A 23 -1.945 8.901 10.387 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.286 7.657 12.099 1.00 0.00 C ATOM 0 H VAL A 23 -2.050 10.331 12.341 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.262 10.593 10.614 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.975 8.288 10.184 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.540 7.950 10.040 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.010 9.595 9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.290 9.317 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.862 6.724 11.727 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.667 8.039 12.911 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.296 7.475 12.467 1.00 0.00 H new ATOM 381 N THR A 24 -6.308 10.061 11.893 1.00 0.00 N ATOM 382 CA THR A 24 -7.530 9.836 12.637 1.00 0.00 C ATOM 383 C THR A 24 -8.420 8.819 11.929 1.00 0.00 C ATOM 384 O THR A 24 -8.300 8.610 10.722 1.00 0.00 O ATOM 385 CB THR A 24 -8.281 11.147 12.826 1.00 0.00 C ATOM 386 OG1 THR A 24 -7.405 12.253 12.702 1.00 0.00 O ATOM 387 CG2 THR A 24 -8.973 11.256 14.168 1.00 0.00 C ATOM 0 H THR A 24 -6.445 10.506 10.985 1.00 0.00 H new ATOM 0 HA THR A 24 -7.263 9.435 13.615 1.00 0.00 H new ATOM 0 HB THR A 24 -9.040 11.156 12.044 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.909 13.085 12.825 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.488 12.214 14.235 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.696 10.447 14.271 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.233 11.185 14.966 1.00 0.00 H new ATOM 395 N PRO A 25 -9.326 8.173 12.675 1.00 0.00 N ATOM 396 CA PRO A 25 -10.241 7.173 12.116 1.00 0.00 C ATOM 397 C PRO A 25 -11.063 7.731 10.959 1.00 0.00 C ATOM 398 O PRO A 25 -11.360 7.022 9.997 1.00 0.00 O ATOM 399 CB PRO A 25 -11.152 6.818 13.295 1.00 0.00 C ATOM 400 CG PRO A 25 -10.369 7.182 14.509 1.00 0.00 C ATOM 401 CD PRO A 25 -9.530 8.366 14.120 1.00 0.00 C ATOM 0 HA PRO A 25 -9.706 6.317 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.090 7.371 13.250 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.406 5.758 13.292 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.030 7.428 15.340 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.744 6.350 14.834 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.038 9.307 14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.584 8.385 14.661 1.00 0.00 H new ATOM 409 N GLU A 26 -11.423 9.006 11.058 1.00 0.00 N ATOM 410 CA GLU A 26 -12.203 9.663 10.023 1.00 0.00 C ATOM 411 C GLU A 26 -11.326 10.584 9.182 1.00 0.00 C ATOM 412 O GLU A 26 -11.809 11.267 8.279 1.00 0.00 O ATOM 413 CB GLU A 26 -13.351 10.460 10.647 1.00 0.00 C ATOM 414 CG GLU A 26 -14.715 10.115 10.072 1.00 0.00 C ATOM 415 CD GLU A 26 -14.627 9.529 8.676 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.261 10.272 7.742 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.927 8.327 8.518 1.00 0.00 O ATOM 0 H GLU A 26 -11.185 9.605 11.849 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.617 8.893 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.364 10.281 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.164 11.524 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.213 9.403 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.333 11.013 10.047 1.00 0.00 H new ATOM 424 N SER A 27 -10.032 10.601 9.489 1.00 0.00 N ATOM 425 CA SER A 27 -9.084 11.441 8.766 1.00 0.00 C ATOM 426 C SER A 27 -9.053 11.086 7.283 1.00 0.00 C ATOM 427 O SER A 27 -8.957 9.916 6.916 1.00 0.00 O ATOM 428 CB SER A 27 -7.684 11.296 9.366 1.00 0.00 C ATOM 429 OG SER A 27 -6.697 11.801 8.483 1.00 0.00 O ATOM 0 H SER A 27 -9.616 10.042 10.234 1.00 0.00 H new ATOM 0 HA SER A 27 -9.411 12.476 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.635 11.829 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.483 10.246 9.579 1.00 0.00 H new ATOM 0 HG SER A 27 -5.811 11.699 8.889 1.00 0.00 H new ATOM 435 N HIS A 28 -9.135 12.108 6.436 1.00 0.00 N ATOM 436 CA HIS A 28 -9.116 11.913 4.996 1.00 0.00 C ATOM 437 C HIS A 28 -7.690 11.707 4.493 1.00 0.00 C ATOM 438 O HIS A 28 -6.738 12.239 5.065 1.00 0.00 O ATOM 439 CB HIS A 28 -9.751 13.110 4.289 1.00 0.00 C ATOM 440 CG HIS A 28 -11.231 13.209 4.493 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.126 12.301 3.969 1.00 0.00 N ATOM 442 CD2 HIS A 28 -11.974 14.117 5.171 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.355 12.646 4.313 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.289 13.743 5.043 1.00 0.00 N ATOM 0 H HIS A 28 -9.215 13.082 6.727 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.695 11.018 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.281 14.025 4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.543 13.043 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.601 14.975 5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.259 12.120 4.043 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.086 14.234 5.447 1.00 0.00 H new ATOM 453 N PHE A 29 -7.549 10.932 3.424 1.00 0.00 N ATOM 454 CA PHE A 29 -6.241 10.656 2.848 1.00 0.00 C ATOM 455 C PHE A 29 -5.642 11.917 2.231 1.00 0.00 C ATOM 456 O PHE A 29 -5.665 12.987 2.838 1.00 0.00 O ATOM 457 CB PHE A 29 -6.347 9.556 1.790 1.00 0.00 C ATOM 458 CG PHE A 29 -5.040 8.877 1.497 1.00 0.00 C ATOM 459 CD1 PHE A 29 -3.849 9.401 1.973 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.002 7.714 0.744 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.645 8.778 1.704 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.801 7.086 0.471 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.621 7.619 0.953 1.00 0.00 C ATOM 0 H PHE A 29 -8.326 10.484 2.939 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.583 10.317 3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.068 8.810 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.738 9.986 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.862 10.307 2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.922 7.293 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.724 9.197 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.785 6.181 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.681 7.130 0.743 1.00 0.00 H new ATOM 473 N VAL A 30 -5.108 11.783 1.022 1.00 0.00 N ATOM 474 CA VAL A 30 -4.503 12.911 0.325 1.00 0.00 C ATOM 475 C VAL A 30 -5.259 14.201 0.612 1.00 0.00 C ATOM 476 O VAL A 30 -4.677 15.285 0.644 1.00 0.00 O ATOM 477 CB VAL A 30 -4.461 12.680 -1.197 1.00 0.00 C ATOM 478 CG1 VAL A 30 -3.029 12.477 -1.667 1.00 0.00 C ATOM 479 CG2 VAL A 30 -5.329 11.491 -1.580 1.00 0.00 C ATOM 0 H VAL A 30 -5.082 10.904 0.505 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.482 12.999 0.696 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.859 13.566 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.019 12.315 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.439 13.361 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.601 11.609 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.287 11.343 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.963 10.596 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.359 11.681 -1.279 1.00 0.00 H new ATOM 489 N LYS A 31 -6.560 14.069 0.818 1.00 0.00 N ATOM 490 CA LYS A 31 -7.413 15.215 1.103 1.00 0.00 C ATOM 491 C LYS A 31 -7.048 15.850 2.440 1.00 0.00 C ATOM 492 O LYS A 31 -6.975 17.074 2.557 1.00 0.00 O ATOM 493 CB LYS A 31 -8.884 14.790 1.111 1.00 0.00 C ATOM 494 CG LYS A 31 -9.263 13.886 -0.050 1.00 0.00 C ATOM 495 CD LYS A 31 -10.649 13.291 0.137 1.00 0.00 C ATOM 496 CE LYS A 31 -11.717 14.373 0.195 1.00 0.00 C ATOM 497 NZ LYS A 31 -13.089 13.802 0.121 1.00 0.00 N ATOM 0 H LYS A 31 -7.051 13.176 0.793 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.258 15.955 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.099 14.275 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.511 15.681 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.232 14.454 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.531 13.084 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.866 12.607 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.673 12.705 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.609 14.940 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.570 15.073 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.788 14.571 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.201 13.282 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.239 13.154 0.920 1.00 0.00 H new ATOM 511 N ASP A 32 -6.824 15.012 3.447 1.00 0.00 N ATOM 512 CA ASP A 32 -6.473 15.488 4.773 1.00 0.00 C ATOM 513 C ASP A 32 -4.966 15.694 4.901 1.00 0.00 C ATOM 514 O ASP A 32 -4.451 15.906 5.998 1.00 0.00 O ATOM 515 CB ASP A 32 -6.956 14.502 5.838 1.00 0.00 C ATOM 516 CG ASP A 32 -7.500 15.201 7.069 1.00 0.00 C ATOM 517 OD1 ASP A 32 -7.054 16.333 7.355 1.00 0.00 O ATOM 518 OD2 ASP A 32 -8.369 14.617 7.749 1.00 0.00 O ATOM 0 H ASP A 32 -6.881 13.997 3.366 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.966 16.448 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.731 13.864 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.131 13.851 6.128 1.00 0.00 H new ATOM 523 N LEU A 33 -4.268 15.630 3.771 1.00 0.00 N ATOM 524 CA LEU A 33 -2.820 15.808 3.753 1.00 0.00 C ATOM 525 C LEU A 33 -2.112 14.476 3.526 1.00 0.00 C ATOM 526 O LEU A 33 -1.063 14.211 4.113 1.00 0.00 O ATOM 527 CB LEU A 33 -2.342 16.436 5.064 1.00 0.00 C ATOM 528 CG LEU A 33 -3.025 17.753 5.439 1.00 0.00 C ATOM 529 CD1 LEU A 33 -3.074 17.916 6.950 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.304 18.928 4.796 1.00 0.00 C ATOM 0 H LEU A 33 -4.682 15.456 2.855 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.573 16.477 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.500 15.720 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.268 16.608 4.996 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.048 17.731 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.563 18.858 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.635 17.090 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.060 17.917 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.803 19.857 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.271 18.954 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.321 18.816 3.712 1.00 0.00 H new ATOM 542 N GLY A 34 -2.694 13.642 2.671 1.00 0.00 N ATOM 543 CA GLY A 34 -2.105 12.347 2.382 1.00 0.00 C ATOM 544 C GLY A 34 -0.956 12.439 1.397 1.00 0.00 C ATOM 545 O GLY A 34 -0.602 13.527 0.944 1.00 0.00 O ATOM 0 H GLY A 34 -3.562 13.839 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.749 11.898 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.872 11.684 1.980 1.00 0.00 H new ATOM 549 N LEU A 35 -0.372 11.291 1.066 1.00 0.00 N ATOM 550 CA LEU A 35 0.743 11.241 0.130 1.00 0.00 C ATOM 551 C LEU A 35 0.303 11.661 -1.268 1.00 0.00 C ATOM 552 O LEU A 35 -0.846 11.452 -1.656 1.00 0.00 O ATOM 553 CB LEU A 35 1.338 9.832 0.089 1.00 0.00 C ATOM 554 CG LEU A 35 0.384 8.713 0.509 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.517 7.521 -0.425 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.652 8.298 1.947 1.00 0.00 C ATOM 0 H LEU A 35 -0.654 10.382 1.434 1.00 0.00 H new ATOM 0 HA LEU A 35 1.504 11.941 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.686 9.631 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.213 9.805 0.738 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.638 9.087 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.169 6.734 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.276 7.828 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.540 7.145 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.036 7.501 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.678 7.941 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.506 9.154 2.606 1.00 0.00 H new ATOM 568 N ASN A 36 1.225 12.253 -2.021 1.00 0.00 N ATOM 569 CA ASN A 36 0.932 12.701 -3.376 1.00 0.00 C ATOM 570 C ASN A 36 0.685 11.514 -4.300 1.00 0.00 C ATOM 571 O ASN A 36 0.705 10.362 -3.866 1.00 0.00 O ATOM 572 CB ASN A 36 2.085 13.551 -3.914 1.00 0.00 C ATOM 573 CG ASN A 36 1.678 14.381 -5.117 1.00 0.00 C ATOM 574 OD1 ASN A 36 0.974 15.382 -4.985 1.00 0.00 O ATOM 575 ND2 ASN A 36 2.120 13.966 -6.298 1.00 0.00 N ATOM 0 H ASN A 36 2.181 12.433 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 36 0.027 13.307 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.445 14.211 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.915 12.900 -4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.878 14.483 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.701 13.130 -6.360 1.00 0.00 H new ATOM 582 N SER A 37 0.448 11.801 -5.576 1.00 0.00 N ATOM 583 CA SER A 37 0.193 10.756 -6.561 1.00 0.00 C ATOM 584 C SER A 37 1.414 9.861 -6.736 1.00 0.00 C ATOM 585 O SER A 37 1.288 8.660 -6.975 1.00 0.00 O ATOM 586 CB SER A 37 -0.199 11.374 -7.904 1.00 0.00 C ATOM 587 OG SER A 37 -1.454 12.025 -7.819 1.00 0.00 O ATOM 0 H SER A 37 0.427 12.749 -5.952 1.00 0.00 H new ATOM 0 HA SER A 37 -0.632 10.144 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.564 12.087 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.240 10.597 -8.667 1.00 0.00 H new ATOM 0 HG SER A 37 -1.681 12.413 -8.690 1.00 0.00 H new ATOM 592 N LEU A 38 2.592 10.455 -6.615 1.00 0.00 N ATOM 593 CA LEU A 38 3.840 9.715 -6.760 1.00 0.00 C ATOM 594 C LEU A 38 4.139 8.900 -5.508 1.00 0.00 C ATOM 595 O LEU A 38 4.745 7.830 -5.580 1.00 0.00 O ATOM 596 CB LEU A 38 4.999 10.672 -7.056 1.00 0.00 C ATOM 597 CG LEU A 38 5.706 11.247 -5.825 1.00 0.00 C ATOM 598 CD1 LEU A 38 4.733 12.044 -4.972 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.346 10.135 -5.007 1.00 0.00 C ATOM 0 H LEU A 38 2.711 11.448 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 38 3.728 9.027 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.735 10.147 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.621 11.499 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 38 6.493 11.919 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.255 12.444 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.323 12.866 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.922 11.395 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.843 10.563 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.577 9.436 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.077 9.607 -5.619 1.00 0.00 H new ATOM 611 N ASP A 39 3.707 9.412 -4.365 1.00 0.00 N ATOM 612 CA ASP A 39 3.923 8.733 -3.094 1.00 0.00 C ATOM 613 C ASP A 39 2.965 7.561 -2.940 1.00 0.00 C ATOM 614 O ASP A 39 3.343 6.489 -2.470 1.00 0.00 O ATOM 615 CB ASP A 39 3.750 9.711 -1.931 1.00 0.00 C ATOM 616 CG ASP A 39 3.735 9.012 -0.585 1.00 0.00 C ATOM 617 OD1 ASP A 39 3.329 7.831 -0.534 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.129 9.645 0.417 1.00 0.00 O ATOM 0 H ASP A 39 3.204 10.296 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 39 4.943 8.349 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.560 10.440 -1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.820 10.264 -2.060 1.00 0.00 H new ATOM 623 N VAL A 40 1.723 7.778 -3.345 1.00 0.00 N ATOM 624 CA VAL A 40 0.699 6.746 -3.264 1.00 0.00 C ATOM 625 C VAL A 40 1.026 5.582 -4.189 1.00 0.00 C ATOM 626 O VAL A 40 0.836 4.420 -3.831 1.00 0.00 O ATOM 627 CB VAL A 40 -0.694 7.299 -3.620 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.113 6.842 -5.009 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.717 6.870 -2.579 1.00 0.00 C ATOM 0 H VAL A 40 1.398 8.663 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 40 0.683 6.396 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.644 8.388 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.099 7.243 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.392 7.202 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.148 5.753 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.696 7.269 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.766 5.782 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.423 7.252 -1.601 1.00 0.00 H new ATOM 639 N VAL A 41 1.523 5.900 -5.380 1.00 0.00 N ATOM 640 CA VAL A 41 1.880 4.879 -6.355 1.00 0.00 C ATOM 641 C VAL A 41 2.949 3.947 -5.800 1.00 0.00 C ATOM 642 O VAL A 41 2.790 2.727 -5.809 1.00 0.00 O ATOM 643 CB VAL A 41 2.390 5.505 -7.665 1.00 0.00 C ATOM 644 CG1 VAL A 41 1.266 6.238 -8.379 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.557 6.441 -7.389 1.00 0.00 C ATOM 0 H VAL A 41 1.687 6.857 -5.692 1.00 0.00 H new ATOM 0 HA VAL A 41 0.975 4.309 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 41 2.742 4.705 -8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.645 6.674 -9.303 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.464 5.537 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.881 7.029 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.905 6.875 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.234 7.237 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.369 5.882 -6.924 1.00 0.00 H new ATOM 655 N GLU A 42 4.040 4.531 -5.310 1.00 0.00 N ATOM 656 CA GLU A 42 5.131 3.748 -4.744 1.00 0.00 C ATOM 657 C GLU A 42 4.634 2.900 -3.583 1.00 0.00 C ATOM 658 O GLU A 42 4.921 1.705 -3.497 1.00 0.00 O ATOM 659 CB GLU A 42 6.262 4.668 -4.279 1.00 0.00 C ATOM 660 CG GLU A 42 6.266 4.916 -2.779 1.00 0.00 C ATOM 661 CD GLU A 42 6.746 3.713 -1.992 1.00 0.00 C ATOM 662 OE1 GLU A 42 7.903 3.289 -2.200 1.00 0.00 O ATOM 663 OE2 GLU A 42 5.967 3.194 -1.165 1.00 0.00 O ATOM 0 H GLU A 42 4.190 5.540 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 42 5.515 3.085 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.217 4.231 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.178 5.624 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.906 5.770 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.259 5.180 -2.455 1.00 0.00 H new ATOM 670 N VAL A 43 3.882 3.531 -2.696 1.00 0.00 N ATOM 671 CA VAL A 43 3.331 2.845 -1.532 1.00 0.00 C ATOM 672 C VAL A 43 2.467 1.668 -1.953 1.00 0.00 C ATOM 673 O VAL A 43 2.533 0.589 -1.362 1.00 0.00 O ATOM 674 CB VAL A 43 2.483 3.787 -0.658 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.858 4.891 -1.491 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.415 3.004 0.075 1.00 0.00 C ATOM 0 H VAL A 43 3.637 4.519 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 43 4.182 2.492 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 43 3.141 4.253 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.265 5.541 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.644 5.474 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.216 4.452 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.823 3.683 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.766 2.509 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.886 2.255 0.712 1.00 0.00 H new ATOM 686 N VAL A 44 1.657 1.883 -2.979 1.00 0.00 N ATOM 687 CA VAL A 44 0.775 0.841 -3.484 1.00 0.00 C ATOM 688 C VAL A 44 1.578 -0.383 -3.904 1.00 0.00 C ATOM 689 O VAL A 44 1.129 -1.519 -3.747 1.00 0.00 O ATOM 690 CB VAL A 44 -0.063 1.333 -4.678 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.692 2.681 -4.371 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.787 1.406 -5.938 1.00 0.00 C ATOM 0 H VAL A 44 1.592 2.770 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 44 0.097 0.574 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.865 0.616 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.280 3.012 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.340 2.590 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.092 3.410 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.175 1.756 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.614 2.098 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.181 0.416 -6.169 1.00 0.00 H new ATOM 702 N PHE A 45 2.775 -0.144 -4.430 1.00 0.00 N ATOM 703 CA PHE A 45 3.647 -1.224 -4.861 1.00 0.00 C ATOM 704 C PHE A 45 4.249 -1.930 -3.654 1.00 0.00 C ATOM 705 O PHE A 45 4.649 -3.092 -3.734 1.00 0.00 O ATOM 706 CB PHE A 45 4.759 -0.685 -5.764 1.00 0.00 C ATOM 707 CG PHE A 45 4.249 0.069 -6.959 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.218 -0.444 -7.730 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.801 1.290 -7.311 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.748 0.248 -8.831 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.335 1.987 -8.409 1.00 0.00 C ATOM 712 CZ PHE A 45 3.307 1.464 -9.170 1.00 0.00 C ATOM 0 H PHE A 45 3.161 0.790 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 45 3.054 -1.941 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.405 -0.030 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.374 -1.517 -6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.777 -1.394 -7.468 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.605 1.702 -6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.945 -0.162 -9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.773 2.938 -8.672 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.941 2.006 -10.029 1.00 0.00 H new ATOM 722 N ALA A 46 4.304 -1.217 -2.534 1.00 0.00 N ATOM 723 CA ALA A 46 4.850 -1.766 -1.303 1.00 0.00 C ATOM 724 C ALA A 46 3.935 -2.838 -0.732 1.00 0.00 C ATOM 725 O ALA A 46 4.203 -4.034 -0.854 1.00 0.00 O ATOM 726 CB ALA A 46 5.068 -0.658 -0.283 1.00 0.00 C ATOM 0 H ALA A 46 3.975 -0.255 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 46 5.810 -2.227 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.477 -1.083 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.766 0.075 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.117 -0.172 -0.065 1.00 0.00 H new ATOM 732 N ILE A 47 2.852 -2.398 -0.115 1.00 0.00 N ATOM 733 CA ILE A 47 1.883 -3.311 0.478 1.00 0.00 C ATOM 734 C ILE A 47 1.505 -4.413 -0.505 1.00 0.00 C ATOM 735 O ILE A 47 1.465 -5.593 -0.150 1.00 0.00 O ATOM 736 CB ILE A 47 0.608 -2.569 0.922 1.00 0.00 C ATOM 737 CG1 ILE A 47 -0.100 -1.950 -0.285 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.949 -1.497 1.947 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.588 -0.714 -0.820 1.00 0.00 C ATOM 0 H ILE A 47 2.619 -1.411 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 47 2.355 -3.753 1.355 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.068 -3.288 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.163 -2.693 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.122 -1.695 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.038 -0.981 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.412 -1.961 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.642 -0.780 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.032 -0.329 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.628 0.047 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.601 -0.968 -1.131 1.00 0.00 H new ATOM 751 N GLU A 48 1.238 -4.027 -1.748 1.00 0.00 N ATOM 752 CA GLU A 48 0.873 -4.988 -2.779 1.00 0.00 C ATOM 753 C GLU A 48 1.944 -6.061 -2.899 1.00 0.00 C ATOM 754 O GLU A 48 1.645 -7.242 -3.085 1.00 0.00 O ATOM 755 CB GLU A 48 0.679 -4.282 -4.122 1.00 0.00 C ATOM 756 CG GLU A 48 0.768 -5.215 -5.318 1.00 0.00 C ATOM 757 CD GLU A 48 2.168 -5.757 -5.532 1.00 0.00 C ATOM 758 OE1 GLU A 48 3.129 -5.122 -5.051 1.00 0.00 O ATOM 759 OE2 GLU A 48 2.302 -6.817 -6.179 1.00 0.00 O ATOM 0 H GLU A 48 1.268 -3.058 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.068 -5.461 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.294 -3.790 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.432 -3.501 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.078 -6.047 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.447 -4.683 -6.214 1.00 0.00 H new ATOM 766 N GLN A 49 3.193 -5.636 -2.779 1.00 0.00 N ATOM 767 CA GLN A 49 4.322 -6.551 -2.859 1.00 0.00 C ATOM 768 C GLN A 49 4.169 -7.673 -1.841 1.00 0.00 C ATOM 769 O GLN A 49 4.328 -8.848 -2.170 1.00 0.00 O ATOM 770 CB GLN A 49 5.636 -5.802 -2.622 1.00 0.00 C ATOM 771 CG GLN A 49 6.103 -4.997 -3.822 1.00 0.00 C ATOM 772 CD GLN A 49 7.174 -5.712 -4.623 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.108 -6.284 -4.060 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.044 -5.683 -5.944 1.00 0.00 N ATOM 0 H GLN A 49 3.451 -4.661 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 49 4.342 -6.985 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.514 -5.132 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.411 -6.520 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.251 -4.787 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.489 -4.036 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.254 -5.197 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.734 -6.147 -6.535 1.00 0.00 H new ATOM 783 N GLU A 50 3.852 -7.304 -0.603 1.00 0.00 N ATOM 784 CA GLU A 50 3.672 -8.282 0.451 1.00 0.00 C ATOM 785 C GLU A 50 2.197 -8.439 0.807 1.00 0.00 C ATOM 786 O GLU A 50 1.847 -8.673 1.964 1.00 0.00 O ATOM 787 CB GLU A 50 4.471 -7.880 1.693 1.00 0.00 C ATOM 788 CG GLU A 50 3.702 -6.979 2.646 1.00 0.00 C ATOM 789 CD GLU A 50 3.353 -7.672 3.949 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.286 -8.096 4.663 1.00 0.00 O ATOM 791 OE2 GLU A 50 2.148 -7.790 4.255 1.00 0.00 O ATOM 0 H GLU A 50 3.716 -6.336 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 50 4.040 -9.241 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.777 -8.781 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.382 -7.370 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.296 -6.090 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.786 -6.641 2.161 1.00 0.00 H new ATOM 798 N PHE A 51 1.336 -8.318 -0.200 1.00 0.00 N ATOM 799 CA PHE A 51 -0.098 -8.455 -0.005 1.00 0.00 C ATOM 800 C PHE A 51 -0.758 -9.161 -1.190 1.00 0.00 C ATOM 801 O PHE A 51 -1.976 -9.340 -1.211 1.00 0.00 O ATOM 802 CB PHE A 51 -0.745 -7.086 0.214 1.00 0.00 C ATOM 803 CG PHE A 51 -0.599 -6.565 1.615 1.00 0.00 C ATOM 804 CD1 PHE A 51 -0.209 -7.407 2.645 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.849 -5.234 1.901 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.073 -6.929 3.934 1.00 0.00 C ATOM 807 CE2 PHE A 51 -0.714 -4.749 3.188 1.00 0.00 C ATOM 808 CZ PHE A 51 -0.326 -5.598 4.205 1.00 0.00 C ATOM 0 H PHE A 51 1.612 -8.124 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.251 -9.067 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.302 -6.370 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.805 -7.152 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.009 -8.448 2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.153 -4.566 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.231 -7.595 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.912 -3.708 3.398 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.220 -5.222 5.212 1.00 0.00 H new ATOM 818 N ILE A 52 0.048 -9.562 -2.173 1.00 0.00 N ATOM 819 CA ILE A 52 -0.461 -10.251 -3.355 1.00 0.00 C ATOM 820 C ILE A 52 -1.628 -9.496 -3.983 1.00 0.00 C ATOM 821 O ILE A 52 -2.641 -10.093 -4.347 1.00 0.00 O ATOM 822 CB ILE A 52 -0.904 -11.695 -3.036 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.800 -11.732 -1.804 1.00 0.00 C ATOM 824 CG2 ILE A 52 0.308 -12.592 -2.841 1.00 0.00 C ATOM 825 CD1 ILE A 52 -3.196 -11.201 -2.050 1.00 0.00 C ATOM 0 H ILE A 52 1.058 -9.420 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 52 0.365 -10.288 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.480 -12.068 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.869 -12.760 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.334 -11.149 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.022 -13.606 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.906 -12.598 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.910 -12.215 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.775 -11.259 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.138 -10.163 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.682 -11.798 -2.822 1.00 0.00 H new ATOM 837 N LEU A 53 -1.476 -8.183 -4.114 1.00 0.00 N ATOM 838 CA LEU A 53 -2.517 -7.350 -4.705 1.00 0.00 C ATOM 839 C LEU A 53 -2.053 -5.902 -4.821 1.00 0.00 C ATOM 840 O LEU A 53 -1.478 -5.346 -3.884 1.00 0.00 O ATOM 841 CB LEU A 53 -3.796 -7.423 -3.868 1.00 0.00 C ATOM 842 CG LEU A 53 -5.096 -7.305 -4.664 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.079 -8.247 -5.859 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.294 -7.596 -3.772 1.00 0.00 C ATOM 0 H LEU A 53 -0.643 -7.673 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.725 -7.728 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.804 -8.368 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.770 -6.628 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.181 -6.283 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.012 -8.149 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.242 -7.994 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.970 -9.274 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.211 -7.508 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.213 -8.607 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.317 -6.882 -2.949 1.00 0.00 H new ATOM 856 N ASP A 54 -2.305 -5.296 -5.977 1.00 0.00 N ATOM 857 CA ASP A 54 -1.913 -3.918 -6.218 1.00 0.00 C ATOM 858 C ASP A 54 -2.925 -2.948 -5.616 1.00 0.00 C ATOM 859 O ASP A 54 -4.130 -3.199 -5.637 1.00 0.00 O ATOM 860 CB ASP A 54 -1.774 -3.661 -7.720 1.00 0.00 C ATOM 861 CG ASP A 54 -1.518 -4.933 -8.503 1.00 0.00 C ATOM 862 OD1 ASP A 54 -0.341 -5.335 -8.616 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.496 -5.529 -9.004 1.00 0.00 O ATOM 0 H ASP A 54 -2.780 -5.742 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.949 -3.752 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.683 -3.187 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.956 -2.961 -7.892 1.00 0.00 H new ATOM 868 N ILE A 55 -2.426 -1.838 -5.081 1.00 0.00 N ATOM 869 CA ILE A 55 -3.280 -0.832 -4.475 1.00 0.00 C ATOM 870 C ILE A 55 -3.486 0.367 -5.400 1.00 0.00 C ATOM 871 O ILE A 55 -4.344 1.213 -5.143 1.00 0.00 O ATOM 872 CB ILE A 55 -2.703 -0.338 -3.135 1.00 0.00 C ATOM 873 CG1 ILE A 55 -2.973 -1.362 -2.030 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.295 1.015 -2.770 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.982 -0.764 -0.641 1.00 0.00 C ATOM 0 H ILE A 55 -1.431 -1.615 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.243 -1.312 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.624 -0.223 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.934 -1.841 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.214 -2.143 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.878 1.351 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.055 1.739 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.378 0.926 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.179 -1.547 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.013 -0.310 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.760 -0.004 -0.577 1.00 0.00 H new ATOM 887 N PRO A 56 -2.704 0.465 -6.489 1.00 0.00 N ATOM 888 CA PRO A 56 -2.815 1.574 -7.439 1.00 0.00 C ATOM 889 C PRO A 56 -4.030 1.437 -8.351 1.00 0.00 C ATOM 890 O PRO A 56 -4.979 0.719 -8.033 1.00 0.00 O ATOM 891 CB PRO A 56 -1.523 1.469 -8.248 1.00 0.00 C ATOM 892 CG PRO A 56 -1.172 0.023 -8.210 1.00 0.00 C ATOM 893 CD PRO A 56 -1.652 -0.494 -6.879 1.00 0.00 C ATOM 0 HA PRO A 56 -2.946 2.533 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.667 1.815 -9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.732 2.080 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.648 -0.514 -9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.097 -0.119 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.045 -1.507 -6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.845 -0.523 -6.146 1.00 0.00 H new ATOM 901 N ASP A 57 -3.994 2.131 -9.483 1.00 0.00 N ATOM 902 CA ASP A 57 -5.094 2.087 -10.440 1.00 0.00 C ATOM 903 C ASP A 57 -6.354 2.709 -9.848 1.00 0.00 C ATOM 904 O ASP A 57 -6.285 3.506 -8.914 1.00 0.00 O ATOM 905 CB ASP A 57 -5.373 0.644 -10.864 1.00 0.00 C ATOM 906 CG ASP A 57 -5.245 0.446 -12.362 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.456 1.423 -13.109 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.934 -0.687 -12.785 1.00 0.00 O ATOM 0 H ASP A 57 -3.216 2.730 -9.760 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.803 2.665 -11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.679 -0.023 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.378 0.363 -10.548 1.00 0.00 H new ATOM 913 N HIS A 58 -7.505 2.338 -10.399 1.00 0.00 N ATOM 914 CA HIS A 58 -8.781 2.860 -9.926 1.00 0.00 C ATOM 915 C HIS A 58 -9.015 2.484 -8.466 1.00 0.00 C ATOM 916 O HIS A 58 -9.758 3.158 -7.752 1.00 0.00 O ATOM 917 CB HIS A 58 -9.925 2.327 -10.790 1.00 0.00 C ATOM 918 CG HIS A 58 -9.501 1.942 -12.173 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.137 0.966 -12.912 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.496 2.406 -12.953 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.542 0.847 -14.085 1.00 0.00 C ATOM 922 NE2 HIS A 58 -8.543 1.710 -14.135 1.00 0.00 N ATOM 0 H HIS A 58 -7.580 1.678 -11.173 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.751 3.947 -10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.366 1.459 -10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.704 3.087 -10.856 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.789 3.180 -12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.824 0.161 -14.870 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -7.909 1.838 -14.924 1.00 0.00 H new ATOM 931 N ASP A 59 -8.377 1.404 -8.028 1.00 0.00 N ATOM 932 CA ASP A 59 -8.516 0.938 -6.653 1.00 0.00 C ATOM 933 C ASP A 59 -7.983 1.974 -5.670 1.00 0.00 C ATOM 934 O ASP A 59 -8.618 2.267 -4.656 1.00 0.00 O ATOM 935 CB ASP A 59 -7.780 -0.389 -6.465 1.00 0.00 C ATOM 936 CG ASP A 59 -8.659 -1.587 -6.769 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.578 -1.452 -7.604 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.429 -2.659 -6.171 1.00 0.00 O ATOM 0 H ASP A 59 -7.758 0.835 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.577 0.788 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.904 -0.411 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.418 -0.458 -5.439 1.00 0.00 H new ATOM 943 N ALA A 60 -6.812 2.524 -5.973 1.00 0.00 N ATOM 944 CA ALA A 60 -6.194 3.525 -5.116 1.00 0.00 C ATOM 945 C ALA A 60 -6.816 4.898 -5.336 1.00 0.00 C ATOM 946 O ALA A 60 -6.793 5.753 -4.451 1.00 0.00 O ATOM 947 CB ALA A 60 -4.693 3.578 -5.362 1.00 0.00 C ATOM 0 H ALA A 60 -6.273 2.292 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.372 3.237 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.244 4.331 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.254 2.604 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.504 3.837 -6.404 1.00 0.00 H new ATOM 953 N GLU A 61 -7.372 5.100 -6.524 1.00 0.00 N ATOM 954 CA GLU A 61 -8.002 6.365 -6.870 1.00 0.00 C ATOM 955 C GLU A 61 -9.370 6.493 -6.208 1.00 0.00 C ATOM 956 O GLU A 61 -9.796 7.590 -5.846 1.00 0.00 O ATOM 957 CB GLU A 61 -8.143 6.491 -8.387 1.00 0.00 C ATOM 958 CG GLU A 61 -6.873 6.143 -9.148 1.00 0.00 C ATOM 959 CD GLU A 61 -6.497 7.198 -10.170 1.00 0.00 C ATOM 960 OE1 GLU A 61 -6.532 8.398 -9.824 1.00 0.00 O ATOM 961 OE2 GLU A 61 -6.169 6.824 -11.315 1.00 0.00 O ATOM 0 H GLU A 61 -7.399 4.400 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.365 7.170 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.949 5.839 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.436 7.512 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.053 6.019 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.007 5.186 -9.652 1.00 0.00 H new ATOM 968 N LYS A 62 -10.056 5.365 -6.055 1.00 0.00 N ATOM 969 CA LYS A 62 -11.376 5.348 -5.440 1.00 0.00 C ATOM 970 C LYS A 62 -11.283 5.569 -3.933 1.00 0.00 C ATOM 971 O LYS A 62 -12.259 5.379 -3.208 1.00 0.00 O ATOM 972 CB LYS A 62 -12.079 4.022 -5.731 1.00 0.00 C ATOM 973 CG LYS A 62 -13.007 4.076 -6.934 1.00 0.00 C ATOM 974 CD LYS A 62 -13.615 5.459 -7.107 1.00 0.00 C ATOM 975 CE LYS A 62 -14.686 5.465 -8.185 1.00 0.00 C ATOM 976 NZ LYS A 62 -15.117 6.847 -8.533 1.00 0.00 N ATOM 0 H LYS A 62 -9.717 4.449 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.958 6.163 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.327 3.251 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.653 3.724 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.454 3.805 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.802 3.340 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.047 5.789 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.832 6.172 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.305 4.968 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.548 4.891 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.848 6.807 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.504 7.313 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.300 7.388 -8.883 1.00 0.00 H new ATOM 990 N ILE A 63 -10.104 5.968 -3.467 1.00 0.00 N ATOM 991 CA ILE A 63 -9.887 6.212 -2.051 1.00 0.00 C ATOM 992 C ILE A 63 -9.786 7.705 -1.760 1.00 0.00 C ATOM 993 O ILE A 63 -8.931 8.399 -2.309 1.00 0.00 O ATOM 994 CB ILE A 63 -8.611 5.510 -1.548 1.00 0.00 C ATOM 995 CG1 ILE A 63 -8.947 4.545 -0.410 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.581 6.534 -1.095 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.370 3.160 -0.602 1.00 0.00 C ATOM 0 H ILE A 63 -9.285 6.129 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.748 5.801 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.184 4.937 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.575 4.958 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.030 4.469 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.687 6.019 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.321 7.183 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.996 7.134 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.648 2.530 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.762 2.727 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.284 3.224 -0.665 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.665 8.192 -0.890 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.678 9.595 -0.524 1.00 0.00 C ATOM 1011 C GLN A 64 -10.406 9.777 0.966 1.00 0.00 C ATOM 1012 O GLN A 64 -10.108 10.881 1.422 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.017 10.235 -0.899 1.00 0.00 C ATOM 1014 CG GLN A 64 -13.222 9.362 -0.594 1.00 0.00 C ATOM 1015 CD GLN A 64 -12.996 8.451 0.594 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -12.762 8.912 1.711 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.066 7.147 0.359 1.00 0.00 N ATOM 0 H GLN A 64 -11.378 7.629 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.883 10.093 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.120 11.179 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.011 10.470 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.086 9.997 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.460 8.758 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.262 6.808 -0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.923 6.483 1.120 1.00 0.00 H new ATOM 1026 N SER A 65 -10.510 8.688 1.721 1.00 0.00 N ATOM 1027 CA SER A 65 -10.274 8.731 3.160 1.00 0.00 C ATOM 1028 C SER A 65 -9.326 7.614 3.589 1.00 0.00 C ATOM 1029 O SER A 65 -9.167 6.616 2.886 1.00 0.00 O ATOM 1030 CB SER A 65 -11.597 8.614 3.919 1.00 0.00 C ATOM 1031 OG SER A 65 -12.162 7.324 3.765 1.00 0.00 O ATOM 0 H SER A 65 -10.756 7.766 1.361 1.00 0.00 H new ATOM 0 HA SER A 65 -9.811 9.688 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.432 8.818 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.296 9.366 3.555 1.00 0.00 H new ATOM 0 HG SER A 65 -12.690 7.294 2.940 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.695 7.794 4.745 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.760 6.806 5.269 1.00 0.00 C ATOM 1039 C ILE A 66 -8.461 5.486 5.573 1.00 0.00 C ATOM 1040 O ILE A 66 -7.897 4.410 5.373 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.068 7.313 6.549 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -6.663 8.779 6.392 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.854 6.453 6.868 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.233 8.965 5.932 1.00 0.00 C ATOM 0 H ILE A 66 -8.815 8.616 5.337 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.009 6.643 4.496 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.771 7.239 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.332 9.258 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.799 9.289 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.375 6.822 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.169 5.420 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.147 6.499 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.015 10.029 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.556 8.516 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.097 8.484 4.963 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.707 5.555 6.065 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.494 4.366 6.403 1.00 0.00 C ATOM 1058 C PRO A 67 -10.531 3.352 5.264 1.00 0.00 C ATOM 1059 O PRO A 67 -9.926 2.285 5.351 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.891 4.928 6.669 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.658 6.338 7.089 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.444 6.803 6.333 1.00 0.00 C ATOM 0 HA PRO A 67 -10.072 3.824 7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.514 4.879 5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.404 4.363 7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.522 6.961 6.859 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.495 6.402 8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.717 7.314 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.849 7.502 6.920 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.246 3.692 4.196 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.361 2.809 3.041 1.00 0.00 C ATOM 1072 C ASP A 68 -9.984 2.407 2.525 1.00 0.00 C ATOM 1073 O ASP A 68 -9.844 1.421 1.800 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.156 3.491 1.927 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.143 2.551 1.262 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.225 2.319 1.840 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -12.833 2.046 0.163 1.00 0.00 O ATOM 0 H ASP A 68 -11.754 4.572 4.107 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.889 1.909 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.693 4.346 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.466 3.879 1.177 1.00 0.00 H new ATOM 1082 N ALA A 69 -8.969 3.177 2.904 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.604 2.905 2.481 1.00 0.00 C ATOM 1084 C ALA A 69 -7.091 1.598 3.070 1.00 0.00 C ATOM 1085 O ALA A 69 -7.178 0.542 2.443 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.691 4.058 2.875 1.00 0.00 C ATOM 0 H ALA A 69 -9.069 3.995 3.505 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.602 2.805 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.672 3.842 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.036 4.975 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.710 4.184 3.958 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.554 1.682 4.278 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.018 0.513 4.963 1.00 0.00 C ATOM 1094 C VAL A 70 -7.120 -0.486 5.303 1.00 0.00 C ATOM 1095 O VAL A 70 -6.845 -1.643 5.617 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.286 0.908 6.259 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.247 1.564 7.238 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.619 -0.305 6.886 1.00 0.00 C ATOM 0 H VAL A 70 -6.477 2.551 4.807 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.309 0.047 4.278 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.510 1.632 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.711 1.836 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.672 2.460 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.048 0.867 7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.107 -0.006 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.375 -1.055 7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.897 -0.725 6.186 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.367 -0.031 5.241 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.506 -0.885 5.545 1.00 0.00 C ATOM 1110 C GLU A 71 -9.705 -1.944 4.464 1.00 0.00 C ATOM 1111 O GLU A 71 -9.781 -3.137 4.757 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.776 -0.046 5.690 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.825 0.768 6.972 1.00 0.00 C ATOM 1114 CD GLU A 71 -10.992 -0.098 8.205 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -11.074 -1.335 8.055 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -11.041 0.460 9.322 1.00 0.00 O ATOM 0 H GLU A 71 -8.613 0.925 4.983 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.301 -1.392 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.855 0.629 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.643 -0.706 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.909 1.351 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.650 1.478 6.916 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.794 -1.499 3.214 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.989 -2.407 2.090 1.00 0.00 C ATOM 1125 C TYR A 72 -8.791 -3.327 1.911 1.00 0.00 C ATOM 1126 O TYR A 72 -8.936 -4.543 1.782 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.234 -1.616 0.803 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.116 -1.748 -0.207 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -7.902 -1.099 -0.016 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.273 -2.524 -1.349 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -6.877 -1.219 -0.935 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.252 -2.649 -2.272 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.057 -1.995 -2.061 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.038 -2.117 -2.977 1.00 0.00 O ATOM 0 H TYR A 72 -9.734 -0.514 2.955 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.863 -3.021 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.165 -1.955 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.366 -0.563 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.757 -0.491 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.208 -3.038 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.940 -0.708 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.390 -3.256 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.326 -2.699 -3.711 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.608 -2.735 1.902 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.375 -3.490 1.734 1.00 0.00 C ATOM 1146 C ILE A 73 -6.150 -4.439 2.902 1.00 0.00 C ATOM 1147 O ILE A 73 -5.800 -5.604 2.714 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.152 -2.559 1.593 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.014 -3.027 2.499 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.534 -1.123 1.919 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.151 -2.558 3.931 1.00 0.00 C ATOM 0 H ILE A 73 -7.474 -1.730 2.009 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.483 -4.068 0.816 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.808 -2.599 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.973 -4.116 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.068 -2.667 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.659 -0.481 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.313 -0.789 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.904 -1.068 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.309 -2.927 4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.162 -1.468 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.081 -2.940 4.352 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.360 -3.929 4.104 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.187 -4.719 5.317 1.00 0.00 C ATOM 1165 C ALA A 74 -7.025 -5.988 5.268 1.00 0.00 C ATOM 1166 O ALA A 74 -6.593 -7.053 5.710 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.546 -3.891 6.542 1.00 0.00 C ATOM 0 H ALA A 74 -6.652 -2.966 4.269 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.139 -5.011 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.412 -4.494 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.898 -3.016 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.585 -3.570 6.472 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.226 -5.863 4.726 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.136 -6.989 4.613 1.00 0.00 C ATOM 1175 C GLN A 75 -8.762 -7.867 3.426 1.00 0.00 C ATOM 1176 O GLN A 75 -9.186 -9.019 3.334 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.577 -6.497 4.467 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.260 -6.210 5.794 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.272 -5.966 6.917 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -9.648 -6.898 7.424 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.124 -4.707 7.312 1.00 0.00 N ATOM 0 H GLN A 75 -8.594 -4.987 4.356 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.056 -7.583 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.583 -5.591 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.155 -7.246 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.904 -5.337 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.903 -7.050 6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.662 -3.965 6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.473 -4.482 8.064 1.00 0.00 H new ATOM 1190 N ASN A 76 -7.961 -7.317 2.521 1.00 0.00 N ATOM 1191 CA ASN A 76 -7.524 -8.052 1.341 1.00 0.00 C ATOM 1192 C ASN A 76 -6.713 -9.281 1.740 1.00 0.00 C ATOM 1193 O ASN A 76 -7.054 -10.406 1.376 1.00 0.00 O ATOM 1194 CB ASN A 76 -6.693 -7.149 0.428 1.00 0.00 C ATOM 1195 CG ASN A 76 -7.464 -6.700 -0.798 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -7.601 -7.446 -1.767 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -7.973 -5.475 -0.760 1.00 0.00 N ATOM 0 H ASN A 76 -7.601 -6.365 2.582 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.410 -8.383 0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.365 -6.273 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.795 -7.682 0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.502 -5.118 -1.555 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.835 -4.891 0.065 1.00 0.00 H new ATOM 1204 N PRO A 77 -5.627 -9.078 2.503 1.00 0.00 N ATOM 1205 CA PRO A 77 -4.768 -10.173 2.956 1.00 0.00 C ATOM 1206 C PRO A 77 -5.390 -10.954 4.108 1.00 0.00 C ATOM 1207 O PRO A 77 -5.224 -12.169 4.208 1.00 0.00 O ATOM 1208 CB PRO A 77 -3.503 -9.453 3.417 1.00 0.00 C ATOM 1209 CG PRO A 77 -3.980 -8.114 3.863 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.154 -7.770 2.985 1.00 0.00 C ATOM 0 HA PRO A 77 -4.594 -10.912 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.013 -9.991 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.778 -9.367 2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.273 -8.135 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.191 -7.368 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.930 -7.245 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.860 -7.122 2.159 1.00 0.00 H new ATOM 1218 N MET A 78 -6.108 -10.248 4.975 1.00 0.00 N ATOM 1219 CA MET A 78 -6.756 -10.878 6.117 1.00 0.00 C ATOM 1220 C MET A 78 -7.936 -11.730 5.666 1.00 0.00 C ATOM 1221 O MET A 78 -8.398 -12.608 6.396 1.00 0.00 O ATOM 1222 CB MET A 78 -7.228 -9.817 7.113 1.00 0.00 C ATOM 1223 CG MET A 78 -7.834 -10.399 8.380 1.00 0.00 C ATOM 1224 SD MET A 78 -6.606 -11.189 9.438 1.00 0.00 S ATOM 1225 CE MET A 78 -6.202 -12.637 8.465 1.00 0.00 C ATOM 0 H MET A 78 -6.255 -9.241 4.908 1.00 0.00 H new ATOM 0 HA MET A 78 -6.028 -11.525 6.607 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.384 -9.182 7.382 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.966 -9.178 6.628 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.332 -9.606 8.938 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.599 -11.128 8.111 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.796 -13.411 9.116 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.102 -13.009 7.976 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.461 -12.373 7.710 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.420 -11.466 4.457 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.542 -12.202 3.904 1.00 0.00 C ATOM 1237 C ALA A 79 -9.066 -13.400 3.094 1.00 0.00 C ATOM 1238 O ALA A 79 -9.759 -14.413 2.996 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.404 -11.288 3.047 1.00 0.00 C ATOM 0 H ALA A 79 -8.048 -10.743 3.841 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.144 -12.575 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.241 -11.854 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.783 -10.468 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.806 -10.885 2.229 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.877 -13.274 2.517 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.294 -14.342 1.710 1.00 0.00 C ATOM 1247 C LYS A 80 -8.225 -15.548 1.640 1.00 0.00 C ATOM 1248 O LYS A 80 -9.340 -15.403 1.095 1.00 0.00 O ATOM 1249 CB LYS A 80 -5.940 -14.763 2.288 1.00 0.00 C ATOM 1250 CG LYS A 80 -4.874 -13.686 2.187 1.00 0.00 C ATOM 1251 CD LYS A 80 -3.833 -14.029 1.134 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.841 -13.025 -0.008 1.00 0.00 C ATOM 1253 NZ LYS A 80 -5.107 -12.242 -0.050 1.00 0.00 N ATOM 1254 OXT LYS A 80 -7.832 -16.628 2.130 1.00 0.00 O ATOM 0 H LYS A 80 -7.295 -12.440 2.593 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.151 -13.960 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.071 -15.036 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.594 -15.655 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.341 -12.732 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.387 -13.563 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.844 -14.052 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.026 -15.028 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.997 -12.344 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.707 -13.550 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.441 -12.175 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.828 -12.717 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.937 -11.286 0.323 1.00 0.00 H new