USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 798 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 26 ASN : amide:sc= -0.556 X(o=-0.58,f=-0.086) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0286 K(o=-0.58,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0757 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 14 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 134:sc= -0.0504 (180deg=-0.285) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.695 K(o=-0.69,f=-2.4!) USER MOD Single : A 46 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.33) USER MOD Single : A 47 THR OG1 : rot -13:sc= 0.901 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 51 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.042) USER MOD Single : A 56 ASN : amide:sc= -0.268 K(o=-0.27,f=-3.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 67 ASN : amide:sc= -1.98! C(o=-2!,f=-3.5!) USER MOD Single : A 70 ASN : amide:sc= -0.496 K(o=-0.5,f=-5.8!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 79 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc=-0.00899 X(o=-0.009,f=-0.009) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.173 K(o=-0.17,f=-0.86) USER MOD Single : A 97 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.0087) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.405 30.349 -29.713 1.00 0.00 N ATOM 2 CA GLY A 1 7.115 30.305 -28.988 1.00 0.00 C ATOM 3 C GLY A 1 7.253 29.697 -27.603 1.00 0.00 C ATOM 4 O GLY A 1 8.278 29.081 -27.291 1.00 0.00 O ATOM 0 H1 GLY A 1 8.681 31.339 -29.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.137 29.871 -29.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.305 29.868 -30.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.715 31.315 -28.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.395 29.726 -29.567 1.00 0.00 H new ATOM 10 N ASP A 2 6.209 29.869 -26.776 1.00 0.00 N ATOM 11 CA ASP A 2 6.172 29.365 -25.388 1.00 0.00 C ATOM 12 C ASP A 2 5.681 27.902 -25.371 1.00 0.00 C ATOM 13 O ASP A 2 4.811 27.524 -26.172 1.00 0.00 O ATOM 14 CB ASP A 2 5.246 30.265 -24.521 1.00 0.00 C ATOM 15 CG ASP A 2 5.232 29.873 -23.030 1.00 0.00 C ATOM 16 OD1 ASP A 2 6.189 30.220 -22.307 1.00 0.00 O ATOM 17 OD2 ASP A 2 4.280 29.203 -22.574 1.00 0.00 O ATOM 0 H ASP A 2 5.361 30.364 -27.051 1.00 0.00 H new ATOM 0 HA ASP A 2 7.177 29.397 -24.968 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.569 31.302 -24.613 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.230 30.212 -24.912 1.00 0.00 H new ATOM 22 N ARG A 3 6.260 27.081 -24.466 1.00 0.00 N ATOM 23 CA ARG A 3 5.821 25.690 -24.229 1.00 0.00 C ATOM 24 C ARG A 3 4.691 25.698 -23.192 1.00 0.00 C ATOM 25 O ARG A 3 4.875 25.295 -22.034 1.00 0.00 O ATOM 26 CB ARG A 3 7.007 24.786 -23.766 1.00 0.00 C ATOM 27 CG ARG A 3 8.181 24.688 -24.760 1.00 0.00 C ATOM 28 CD ARG A 3 7.748 24.225 -26.163 1.00 0.00 C ATOM 29 NE ARG A 3 8.888 24.115 -27.091 1.00 0.00 N ATOM 30 CZ ARG A 3 9.473 25.142 -27.738 1.00 0.00 C ATOM 31 NH1 ARG A 3 9.050 26.389 -27.576 1.00 0.00 N ATOM 32 NH2 ARG A 3 10.491 24.903 -28.548 1.00 0.00 N ATOM 0 H ARG A 3 7.045 27.366 -23.880 1.00 0.00 H new ATOM 0 HA ARG A 3 5.453 25.267 -25.164 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.385 25.167 -22.817 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.626 23.782 -23.577 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.665 25.662 -24.839 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.924 23.993 -24.368 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.250 23.259 -26.087 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.020 24.928 -26.567 1.00 0.00 H new ATOM 0 HE ARG A 3 9.266 23.182 -27.257 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.267 26.585 -26.952 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.507 27.152 -28.076 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.826 23.948 -28.678 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.941 25.673 -29.043 1.00 0.00 H new ATOM 46 N ARG A 4 3.536 26.235 -23.617 1.00 0.00 N ATOM 47 CA ARG A 4 2.331 26.337 -22.782 1.00 0.00 C ATOM 48 C ARG A 4 1.763 24.929 -22.502 1.00 0.00 C ATOM 49 O ARG A 4 1.391 24.195 -23.424 1.00 0.00 O ATOM 50 CB ARG A 4 1.264 27.301 -23.422 1.00 0.00 C ATOM 51 CG ARG A 4 0.546 26.835 -24.727 1.00 0.00 C ATOM 52 CD ARG A 4 1.469 26.724 -25.957 1.00 0.00 C ATOM 53 NE ARG A 4 0.746 26.214 -27.136 1.00 0.00 N ATOM 54 CZ ARG A 4 1.308 25.791 -28.279 1.00 0.00 C ATOM 55 NH1 ARG A 4 2.626 25.806 -28.452 1.00 0.00 N ATOM 56 NH2 ARG A 4 0.530 25.357 -29.258 1.00 0.00 N ATOM 0 H ARG A 4 3.413 26.613 -24.556 1.00 0.00 H new ATOM 0 HA ARG A 4 2.603 26.782 -21.825 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.498 27.497 -22.671 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.755 28.251 -23.632 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.084 25.865 -24.546 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.259 27.534 -24.954 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.892 27.703 -26.184 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.304 26.062 -25.727 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.272 26.180 -27.078 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.234 26.144 -27.707 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.029 25.479 -29.330 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.483 25.347 -29.138 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.943 25.033 -30.132 1.00 0.00 H new ATOM 70 N VAL A 5 1.779 24.532 -21.222 1.00 0.00 N ATOM 71 CA VAL A 5 1.300 23.213 -20.784 1.00 0.00 C ATOM 72 C VAL A 5 -0.229 23.240 -20.595 1.00 0.00 C ATOM 73 O VAL A 5 -0.771 24.179 -20.005 1.00 0.00 O ATOM 74 CB VAL A 5 2.026 22.736 -19.462 1.00 0.00 C ATOM 75 CG1 VAL A 5 1.837 23.726 -18.284 1.00 0.00 C ATOM 76 CG2 VAL A 5 1.583 21.305 -19.074 1.00 0.00 C ATOM 0 H VAL A 5 2.124 25.116 -20.461 1.00 0.00 H new ATOM 0 HA VAL A 5 1.545 22.490 -21.562 1.00 0.00 H new ATOM 0 HB VAL A 5 3.094 22.717 -19.677 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.356 23.347 -17.404 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.247 24.699 -18.557 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.775 23.829 -18.062 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.096 21.000 -18.162 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.506 21.290 -18.907 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.834 20.615 -19.880 1.00 0.00 H new ATOM 86 N ARG A 6 -0.919 22.235 -21.149 1.00 0.00 N ATOM 87 CA ARG A 6 -2.362 22.051 -20.955 1.00 0.00 C ATOM 88 C ARG A 6 -2.581 21.102 -19.763 1.00 0.00 C ATOM 89 O ARG A 6 -2.542 19.871 -19.911 1.00 0.00 O ATOM 90 CB ARG A 6 -3.016 21.507 -22.252 1.00 0.00 C ATOM 91 CG ARG A 6 -4.560 21.441 -22.212 1.00 0.00 C ATOM 92 CD ARG A 6 -5.175 21.103 -23.578 1.00 0.00 C ATOM 93 NE ARG A 6 -4.777 22.084 -24.605 1.00 0.00 N ATOM 94 CZ ARG A 6 -5.590 22.971 -25.197 1.00 0.00 C ATOM 95 NH1 ARG A 6 -6.887 23.002 -24.931 1.00 0.00 N ATOM 96 NH2 ARG A 6 -5.095 23.825 -26.076 1.00 0.00 N ATOM 0 H ARG A 6 -0.492 21.526 -21.745 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.838 23.007 -20.735 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.713 22.137 -23.088 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.627 20.508 -22.449 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.869 20.691 -21.484 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.952 22.399 -21.869 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.860 20.105 -23.884 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.262 21.082 -23.494 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.798 22.088 -24.890 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.287 22.342 -24.264 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.486 23.686 -25.393 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.100 23.807 -26.300 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.708 24.502 -26.530 1.00 0.00 H new ATOM 110 N LEU A 7 -2.734 21.696 -18.571 1.00 0.00 N ATOM 111 CA LEU A 7 -2.936 20.964 -17.317 1.00 0.00 C ATOM 112 C LEU A 7 -4.359 20.389 -17.261 1.00 0.00 C ATOM 113 O LEU A 7 -5.307 21.105 -16.932 1.00 0.00 O ATOM 114 CB LEU A 7 -2.689 21.915 -16.113 1.00 0.00 C ATOM 115 CG LEU A 7 -1.252 22.484 -15.956 1.00 0.00 C ATOM 116 CD1 LEU A 7 -1.168 23.468 -14.765 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.227 21.342 -15.812 1.00 0.00 C ATOM 0 H LEU A 7 -2.721 22.709 -18.451 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.229 20.136 -17.267 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.380 22.754 -16.195 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.945 21.380 -15.199 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.008 23.043 -16.860 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.151 23.850 -14.680 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.855 24.298 -14.930 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.439 22.950 -13.845 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.773 21.762 -15.703 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.468 20.746 -14.932 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.260 20.709 -16.699 1.00 0.00 H new ATOM 129 N ILE A 8 -4.507 19.114 -17.645 1.00 0.00 N ATOM 130 CA ILE A 8 -5.784 18.389 -17.527 1.00 0.00 C ATOM 131 C ILE A 8 -5.691 17.414 -16.343 1.00 0.00 C ATOM 132 O ILE A 8 -4.938 16.432 -16.384 1.00 0.00 O ATOM 133 CB ILE A 8 -6.159 17.624 -18.856 1.00 0.00 C ATOM 134 CG1 ILE A 8 -6.208 18.623 -20.062 1.00 0.00 C ATOM 135 CG2 ILE A 8 -7.509 16.864 -18.715 1.00 0.00 C ATOM 136 CD1 ILE A 8 -6.537 17.995 -21.406 1.00 0.00 C ATOM 0 H ILE A 8 -3.751 18.557 -18.044 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.580 19.113 -17.352 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.384 16.882 -19.047 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.950 19.392 -19.847 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.243 19.123 -20.139 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.736 16.349 -19.648 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.434 16.136 -17.908 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.305 17.574 -18.490 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.547 18.767 -22.176 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.783 17.247 -21.652 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.517 17.520 -21.356 1.00 0.00 H new ATOM 148 N ARG A 9 -6.428 17.741 -15.279 1.00 0.00 N ATOM 149 CA ARG A 9 -6.593 16.894 -14.085 1.00 0.00 C ATOM 150 C ARG A 9 -7.599 15.763 -14.360 1.00 0.00 C ATOM 151 O ARG A 9 -8.181 15.693 -15.447 1.00 0.00 O ATOM 152 CB ARG A 9 -7.085 17.782 -12.912 1.00 0.00 C ATOM 153 CG ARG A 9 -6.059 18.830 -12.424 1.00 0.00 C ATOM 154 CD ARG A 9 -6.712 19.939 -11.576 1.00 0.00 C ATOM 155 NE ARG A 9 -7.603 20.783 -12.397 1.00 0.00 N ATOM 156 CZ ARG A 9 -8.651 21.486 -11.947 1.00 0.00 C ATOM 157 NH1 ARG A 9 -9.044 21.390 -10.684 1.00 0.00 N ATOM 158 NH2 ARG A 9 -9.319 22.270 -12.778 1.00 0.00 N ATOM 0 H ARG A 9 -6.940 18.621 -15.218 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.638 16.436 -13.826 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.994 18.299 -13.221 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.354 17.138 -12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.287 18.333 -11.836 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.564 19.279 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.280 19.491 -10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.938 20.557 -11.122 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.403 20.836 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.546 20.775 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.844 21.932 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.035 22.337 -13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.118 22.808 -12.441 1.00 0.00 H new ATOM 172 N THR A 10 -7.794 14.883 -13.367 1.00 0.00 N ATOM 173 CA THR A 10 -8.781 13.798 -13.440 1.00 0.00 C ATOM 174 C THR A 10 -10.217 14.379 -13.395 1.00 0.00 C ATOM 175 O THR A 10 -10.877 14.460 -14.441 1.00 0.00 O ATOM 176 CB THR A 10 -8.549 12.754 -12.296 1.00 0.00 C ATOM 177 OG1 THR A 10 -8.439 13.430 -11.035 1.00 0.00 O ATOM 178 CG2 THR A 10 -7.292 11.909 -12.525 1.00 0.00 C ATOM 0 H THR A 10 -7.272 14.904 -12.491 1.00 0.00 H new ATOM 0 HA THR A 10 -8.656 13.274 -14.388 1.00 0.00 H new ATOM 0 HB THR A 10 -9.407 12.082 -12.295 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.296 12.772 -10.323 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.175 11.201 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.386 11.364 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.419 12.560 -12.569 1.00 0.00 H new ATOM 186 N ARG A 11 -10.666 14.822 -12.195 1.00 0.00 N ATOM 187 CA ARG A 11 -11.982 15.468 -12.003 1.00 0.00 C ATOM 188 C ARG A 11 -12.086 15.961 -10.541 1.00 0.00 C ATOM 189 O ARG A 11 -12.141 17.168 -10.275 1.00 0.00 O ATOM 190 CB ARG A 11 -13.171 14.489 -12.363 1.00 0.00 C ATOM 191 CG ARG A 11 -14.406 15.142 -13.047 1.00 0.00 C ATOM 192 CD ARG A 11 -15.057 16.248 -12.208 1.00 0.00 C ATOM 193 NE ARG A 11 -16.253 16.811 -12.851 1.00 0.00 N ATOM 194 CZ ARG A 11 -16.977 17.833 -12.372 1.00 0.00 C ATOM 195 NH1 ARG A 11 -16.697 18.385 -11.194 1.00 0.00 N ATOM 196 NH2 ARG A 11 -17.998 18.292 -13.074 1.00 0.00 N ATOM 0 H ARG A 11 -10.124 14.740 -11.335 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.064 16.318 -12.681 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.787 13.708 -13.020 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.503 14.000 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.102 15.557 -14.008 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.147 14.370 -13.254 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.328 15.847 -11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.332 17.044 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.556 16.392 -13.730 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.919 18.031 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.260 19.162 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.230 17.869 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.554 19.069 -12.717 1.00 0.00 H new ATOM 210 N GLY A 12 -12.093 15.000 -9.607 1.00 0.00 N ATOM 211 CA GLY A 12 -12.214 15.277 -8.173 1.00 0.00 C ATOM 212 C GLY A 12 -12.180 13.996 -7.355 1.00 0.00 C ATOM 213 O GLY A 12 -12.532 12.932 -7.867 1.00 0.00 O ATOM 0 H GLY A 12 -12.015 14.007 -9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.403 15.933 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.146 15.808 -7.981 1.00 0.00 H new ATOM 217 N GLY A 13 -11.775 14.098 -6.075 1.00 0.00 N ATOM 218 CA GLY A 13 -11.589 12.928 -5.206 1.00 0.00 C ATOM 219 C GLY A 13 -12.901 12.246 -4.800 1.00 0.00 C ATOM 220 O GLY A 13 -13.462 12.545 -3.739 1.00 0.00 O ATOM 0 H GLY A 13 -11.570 14.988 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.957 12.203 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.056 13.236 -4.306 1.00 0.00 H new ATOM 224 N ASN A 14 -13.393 11.338 -5.661 1.00 0.00 N ATOM 225 CA ASN A 14 -14.594 10.514 -5.394 1.00 0.00 C ATOM 226 C ASN A 14 -14.181 9.104 -4.956 1.00 0.00 C ATOM 227 O ASN A 14 -13.004 8.735 -5.040 1.00 0.00 O ATOM 228 CB ASN A 14 -15.500 10.417 -6.653 1.00 0.00 C ATOM 229 CG ASN A 14 -16.039 11.759 -7.166 1.00 0.00 C ATOM 230 OD1 ASN A 14 -16.228 11.925 -8.368 1.00 0.00 O ATOM 231 ND2 ASN A 14 -16.329 12.702 -6.277 1.00 0.00 N ATOM 0 H ASN A 14 -12.968 11.151 -6.569 1.00 0.00 H new ATOM 0 HA ASN A 14 -15.158 10.996 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -14.935 9.939 -7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -16.344 9.766 -6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.719 13.592 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.161 12.536 -5.285 1.00 0.00 H new ATOM 238 N THR A 15 -15.167 8.319 -4.505 1.00 0.00 N ATOM 239 CA THR A 15 -14.959 6.938 -4.078 1.00 0.00 C ATOM 240 C THR A 15 -15.017 5.989 -5.289 1.00 0.00 C ATOM 241 O THR A 15 -16.053 5.877 -5.954 1.00 0.00 O ATOM 242 CB THR A 15 -16.027 6.527 -3.017 1.00 0.00 C ATOM 243 OG1 THR A 15 -15.999 7.460 -1.929 1.00 0.00 O ATOM 244 CG2 THR A 15 -15.793 5.110 -2.469 1.00 0.00 C ATOM 0 H THR A 15 -16.135 8.630 -4.427 1.00 0.00 H new ATOM 0 HA THR A 15 -13.972 6.863 -3.622 1.00 0.00 H new ATOM 0 HB THR A 15 -16.998 6.536 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.670 7.205 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 15 -16.563 4.872 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.838 4.391 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.812 5.060 -1.996 1.00 0.00 H new ATOM 252 N LYS A 16 -13.874 5.362 -5.583 1.00 0.00 N ATOM 253 CA LYS A 16 -13.752 4.304 -6.592 1.00 0.00 C ATOM 254 C LYS A 16 -13.989 2.945 -5.911 1.00 0.00 C ATOM 255 O LYS A 16 -13.995 2.845 -4.672 1.00 0.00 O ATOM 256 CB LYS A 16 -12.345 4.337 -7.277 1.00 0.00 C ATOM 257 CG LYS A 16 -12.093 5.520 -8.251 1.00 0.00 C ATOM 258 CD LYS A 16 -12.088 6.904 -7.557 1.00 0.00 C ATOM 259 CE LYS A 16 -11.942 8.071 -8.542 1.00 0.00 C ATOM 260 NZ LYS A 16 -13.031 8.077 -9.547 1.00 0.00 N ATOM 0 H LYS A 16 -12.992 5.579 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.497 4.463 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.583 4.365 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.207 3.405 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.136 5.370 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.861 5.513 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.014 7.025 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.270 6.940 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.947 9.013 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.979 8.002 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.407 9.042 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.659 7.755 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.792 7.438 -9.238 1.00 0.00 H new ATOM 274 N VAL A 17 -14.204 1.906 -6.726 1.00 0.00 N ATOM 275 CA VAL A 17 -14.351 0.529 -6.227 1.00 0.00 C ATOM 276 C VAL A 17 -12.955 -0.080 -5.948 1.00 0.00 C ATOM 277 O VAL A 17 -11.933 0.396 -6.468 1.00 0.00 O ATOM 278 CB VAL A 17 -15.184 -0.371 -7.233 1.00 0.00 C ATOM 279 CG1 VAL A 17 -14.419 -0.637 -8.547 1.00 0.00 C ATOM 280 CG2 VAL A 17 -15.654 -1.699 -6.573 1.00 0.00 C ATOM 0 H VAL A 17 -14.281 1.991 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.912 0.559 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.077 0.199 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.029 -1.257 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.203 0.311 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.484 -1.153 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.221 -2.285 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.785 -2.270 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.286 -1.475 -5.714 1.00 0.00 H new ATOM 290 N ARG A 18 -12.935 -1.119 -5.102 1.00 0.00 N ATOM 291 CA ARG A 18 -11.734 -1.917 -4.781 1.00 0.00 C ATOM 292 C ARG A 18 -11.190 -2.667 -6.026 1.00 0.00 C ATOM 293 O ARG A 18 -11.601 -2.400 -7.163 1.00 0.00 O ATOM 294 CB ARG A 18 -12.104 -2.928 -3.659 1.00 0.00 C ATOM 295 CG ARG A 18 -13.255 -3.897 -4.019 1.00 0.00 C ATOM 296 CD ARG A 18 -13.620 -4.847 -2.865 1.00 0.00 C ATOM 297 NE ARG A 18 -14.694 -5.780 -3.235 1.00 0.00 N ATOM 298 CZ ARG A 18 -14.999 -6.914 -2.581 1.00 0.00 C ATOM 299 NH1 ARG A 18 -14.291 -7.314 -1.532 1.00 0.00 N ATOM 300 NH2 ARG A 18 -16.006 -7.656 -2.999 1.00 0.00 N ATOM 0 H ARG A 18 -13.769 -1.438 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.943 -1.247 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.219 -3.513 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.382 -2.372 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.136 -3.319 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.969 -4.485 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.736 -5.412 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.931 -4.262 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.254 -5.548 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.500 -6.758 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.538 -8.178 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.548 -7.368 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.243 -8.518 -2.507 1.00 0.00 H new ATOM 314 N LEU A 19 -10.230 -3.579 -5.800 1.00 0.00 N ATOM 315 CA LEU A 19 -9.722 -4.495 -6.835 1.00 0.00 C ATOM 316 C LEU A 19 -10.880 -5.339 -7.440 1.00 0.00 C ATOM 317 O LEU A 19 -11.261 -6.391 -6.929 1.00 0.00 O ATOM 318 CB LEU A 19 -8.543 -5.381 -6.291 1.00 0.00 C ATOM 319 CG LEU A 19 -8.802 -6.368 -5.087 1.00 0.00 C ATOM 320 CD1 LEU A 19 -7.632 -7.372 -4.930 1.00 0.00 C ATOM 321 CD2 LEU A 19 -9.043 -5.624 -3.754 1.00 0.00 C ATOM 0 H LEU A 19 -9.783 -3.702 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.304 -3.899 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.169 -5.975 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.739 -4.708 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.713 -6.916 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.836 -8.040 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.529 -7.956 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.707 -6.827 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.216 -6.349 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.169 -5.020 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.915 -4.977 -3.851 1.00 0.00 H new ATOM 333 N ALA A 20 -11.473 -4.796 -8.513 1.00 0.00 N ATOM 334 CA ALA A 20 -12.628 -5.385 -9.223 1.00 0.00 C ATOM 335 C ALA A 20 -12.491 -5.165 -10.737 1.00 0.00 C ATOM 336 O ALA A 20 -13.414 -5.444 -11.512 1.00 0.00 O ATOM 337 CB ALA A 20 -13.934 -4.750 -8.693 1.00 0.00 C ATOM 0 H ALA A 20 -11.160 -3.916 -8.924 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.657 -6.459 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.787 -5.183 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.026 -4.945 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.911 -3.674 -8.865 1.00 0.00 H new ATOM 343 N SER A 21 -11.312 -4.674 -11.140 1.00 0.00 N ATOM 344 CA SER A 21 -11.019 -4.214 -12.513 1.00 0.00 C ATOM 345 C SER A 21 -9.501 -4.269 -12.740 1.00 0.00 C ATOM 346 O SER A 21 -9.015 -4.681 -13.801 1.00 0.00 O ATOM 347 CB SER A 21 -11.527 -2.762 -12.720 1.00 0.00 C ATOM 348 OG SER A 21 -12.907 -2.637 -12.421 1.00 0.00 O ATOM 0 H SER A 21 -10.515 -4.581 -10.511 1.00 0.00 H new ATOM 0 HA SER A 21 -11.528 -4.862 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.955 -2.084 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.350 -2.459 -13.752 1.00 0.00 H new ATOM 0 HG SER A 21 -13.189 -1.709 -12.562 1.00 0.00 H new ATOM 354 N ASP A 22 -8.775 -3.827 -11.707 1.00 0.00 N ATOM 355 CA ASP A 22 -7.308 -3.813 -11.665 1.00 0.00 C ATOM 356 C ASP A 22 -6.857 -4.102 -10.221 1.00 0.00 C ATOM 357 O ASP A 22 -7.597 -3.777 -9.275 1.00 0.00 O ATOM 358 CB ASP A 22 -6.776 -2.432 -12.146 1.00 0.00 C ATOM 359 CG ASP A 22 -5.246 -2.402 -12.292 1.00 0.00 C ATOM 360 OD1 ASP A 22 -4.726 -2.919 -13.309 1.00 0.00 O ATOM 361 OD2 ASP A 22 -4.549 -1.879 -11.393 1.00 0.00 O ATOM 0 H ASP A 22 -9.201 -3.460 -10.856 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.904 -4.577 -12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.233 -2.185 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.084 -1.662 -11.438 1.00 0.00 H new ATOM 366 N THR A 23 -5.662 -4.717 -10.062 1.00 0.00 N ATOM 367 CA THR A 23 -5.102 -5.067 -8.745 1.00 0.00 C ATOM 368 C THR A 23 -4.842 -3.790 -7.932 1.00 0.00 C ATOM 369 O THR A 23 -4.007 -2.964 -8.301 1.00 0.00 O ATOM 370 CB THR A 23 -3.777 -5.892 -8.902 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.015 -7.026 -9.756 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.224 -6.389 -7.550 1.00 0.00 C ATOM 0 H THR A 23 -5.064 -4.982 -10.844 1.00 0.00 H new ATOM 0 HA THR A 23 -5.825 -5.687 -8.215 1.00 0.00 H new ATOM 0 HB THR A 23 -3.033 -5.226 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.187 -7.540 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.307 -6.954 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.012 -5.534 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.962 -7.030 -7.069 1.00 0.00 H new ATOM 380 N ARG A 24 -5.603 -3.636 -6.841 1.00 0.00 N ATOM 381 CA ARG A 24 -5.615 -2.419 -6.013 1.00 0.00 C ATOM 382 C ARG A 24 -5.461 -2.750 -4.528 1.00 0.00 C ATOM 383 O ARG A 24 -5.648 -3.895 -4.097 1.00 0.00 O ATOM 384 CB ARG A 24 -6.911 -1.585 -6.270 1.00 0.00 C ATOM 385 CG ARG A 24 -6.912 -0.859 -7.630 1.00 0.00 C ATOM 386 CD ARG A 24 -8.070 0.135 -7.810 1.00 0.00 C ATOM 387 NE ARG A 24 -9.337 -0.511 -8.199 1.00 0.00 N ATOM 388 CZ ARG A 24 -10.115 -0.111 -9.221 1.00 0.00 C ATOM 389 NH1 ARG A 24 -9.748 0.901 -9.997 1.00 0.00 N ATOM 390 NH2 ARG A 24 -11.256 -0.732 -9.466 1.00 0.00 N ATOM 0 H ARG A 24 -6.236 -4.361 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.757 -1.813 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.776 -2.246 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.025 -0.849 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.968 -0.326 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.958 -1.602 -8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.219 0.681 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.796 0.868 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.645 -1.317 -7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.867 1.385 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.347 1.195 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.547 -1.515 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.846 -0.428 -10.241 1.00 0.00 H new ATOM 404 N ILE A 25 -5.170 -1.695 -3.760 1.00 0.00 N ATOM 405 CA ILE A 25 -4.771 -1.774 -2.351 1.00 0.00 C ATOM 406 C ILE A 25 -5.212 -0.493 -1.621 1.00 0.00 C ATOM 407 O ILE A 25 -5.303 0.575 -2.235 1.00 0.00 O ATOM 408 CB ILE A 25 -3.207 -1.968 -2.235 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.722 -2.033 -0.745 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.455 -0.864 -3.012 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.252 -2.369 -0.563 1.00 0.00 C ATOM 0 H ILE A 25 -5.206 -0.738 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.256 -2.633 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.972 -2.931 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.921 -1.072 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.318 -2.778 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.380 -1.020 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.736 -0.904 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.718 0.112 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.013 -2.391 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.045 -3.345 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.642 -1.613 -1.057 1.00 0.00 H new ATOM 423 N ASN A 26 -5.498 -0.617 -0.316 1.00 0.00 N ATOM 424 CA ASN A 26 -5.828 0.519 0.543 1.00 0.00 C ATOM 425 C ASN A 26 -4.524 0.963 1.210 1.00 0.00 C ATOM 426 O ASN A 26 -4.044 0.325 2.156 1.00 0.00 O ATOM 427 CB ASN A 26 -6.891 0.111 1.601 1.00 0.00 C ATOM 428 CG ASN A 26 -8.118 -0.532 0.959 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.082 0.134 0.600 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.076 -1.840 0.793 1.00 0.00 N ATOM 0 H ASN A 26 -5.506 -1.514 0.170 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.258 1.337 -0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.447 -0.586 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.197 0.991 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.860 -2.324 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.260 -2.367 1.102 1.00 0.00 H new ATOM 437 N VAL A 27 -3.943 2.029 0.656 1.00 0.00 N ATOM 438 CA VAL A 27 -2.656 2.574 1.088 1.00 0.00 C ATOM 439 C VAL A 27 -2.895 3.594 2.197 1.00 0.00 C ATOM 440 O VAL A 27 -3.475 4.655 1.951 1.00 0.00 O ATOM 441 CB VAL A 27 -1.906 3.261 -0.110 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.530 3.808 0.319 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.786 2.304 -1.313 1.00 0.00 C ATOM 0 H VAL A 27 -4.361 2.546 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.034 1.758 1.456 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.505 4.115 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.042 4.276 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.662 4.546 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.088 2.989 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.263 2.806 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.228 1.415 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.782 2.013 -1.647 1.00 0.00 H new ATOM 453 N VAL A 28 -2.455 3.263 3.407 1.00 0.00 N ATOM 454 CA VAL A 28 -2.637 4.108 4.583 1.00 0.00 C ATOM 455 C VAL A 28 -1.318 4.838 4.855 1.00 0.00 C ATOM 456 O VAL A 28 -0.367 4.243 5.377 1.00 0.00 O ATOM 457 CB VAL A 28 -3.067 3.266 5.850 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.486 4.189 7.013 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.173 2.233 5.505 1.00 0.00 C ATOM 0 H VAL A 28 -1.958 2.394 3.601 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.438 4.821 4.388 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.197 2.698 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.777 3.583 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.649 4.830 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.329 4.806 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.441 1.674 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.052 2.754 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.803 1.544 4.745 1.00 0.00 H new ATOM 469 N ASP A 29 -1.255 6.110 4.439 1.00 0.00 N ATOM 470 CA ASP A 29 -0.091 6.971 4.669 1.00 0.00 C ATOM 471 C ASP A 29 0.176 7.073 6.194 1.00 0.00 C ATOM 472 O ASP A 29 -0.710 7.498 6.933 1.00 0.00 O ATOM 473 CB ASP A 29 -0.333 8.373 4.054 1.00 0.00 C ATOM 474 CG ASP A 29 0.921 9.270 4.087 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.219 9.868 5.133 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.608 9.382 3.063 1.00 0.00 O ATOM 0 H ASP A 29 -2.012 6.570 3.933 1.00 0.00 H new ATOM 0 HA ASP A 29 0.785 6.540 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.664 8.259 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.140 8.867 4.595 1.00 0.00 H new ATOM 481 N PRO A 30 1.380 6.657 6.687 1.00 0.00 N ATOM 482 CA PRO A 30 1.664 6.556 8.144 1.00 0.00 C ATOM 483 C PRO A 30 1.810 7.925 8.840 1.00 0.00 C ATOM 484 O PRO A 30 1.756 8.002 10.069 1.00 0.00 O ATOM 485 CB PRO A 30 2.988 5.751 8.180 1.00 0.00 C ATOM 486 CG PRO A 30 3.671 6.137 6.908 1.00 0.00 C ATOM 487 CD PRO A 30 2.563 6.251 5.883 1.00 0.00 C ATOM 0 HA PRO A 30 0.846 6.085 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.590 6.008 9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.803 4.678 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.205 7.081 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.406 5.388 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.800 6.990 5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.393 5.304 5.370 1.00 0.00 H new ATOM 495 N GLU A 31 1.994 8.994 8.051 1.00 0.00 N ATOM 496 CA GLU A 31 2.239 10.344 8.579 1.00 0.00 C ATOM 497 C GLU A 31 0.908 11.105 8.742 1.00 0.00 C ATOM 498 O GLU A 31 0.606 11.616 9.820 1.00 0.00 O ATOM 499 CB GLU A 31 3.213 11.085 7.619 1.00 0.00 C ATOM 500 CG GLU A 31 4.555 10.342 7.422 1.00 0.00 C ATOM 501 CD GLU A 31 5.484 10.974 6.378 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.071 12.040 6.651 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.640 10.404 5.278 1.00 0.00 O ATOM 0 H GLU A 31 1.977 8.947 7.032 1.00 0.00 H new ATOM 0 HA GLU A 31 2.697 10.285 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.730 11.214 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.411 12.082 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.077 10.302 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.347 9.313 7.129 1.00 0.00 H new ATOM 510 N THR A 32 0.112 11.139 7.662 1.00 0.00 N ATOM 511 CA THR A 32 -1.176 11.868 7.615 1.00 0.00 C ATOM 512 C THR A 32 -2.364 10.997 8.092 1.00 0.00 C ATOM 513 O THR A 32 -3.314 11.509 8.694 1.00 0.00 O ATOM 514 CB THR A 32 -1.468 12.375 6.160 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.552 11.254 5.265 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.379 13.336 5.652 1.00 0.00 C ATOM 0 H THR A 32 0.340 10.661 6.790 1.00 0.00 H new ATOM 0 HA THR A 32 -1.079 12.714 8.295 1.00 0.00 H new ATOM 0 HB THR A 32 -2.413 12.917 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.736 11.573 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.623 13.661 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.325 14.204 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.584 12.825 5.646 1.00 0.00 H new ATOM 524 N GLY A 33 -2.293 9.682 7.831 1.00 0.00 N ATOM 525 CA GLY A 33 -3.400 8.746 8.126 1.00 0.00 C ATOM 526 C GLY A 33 -4.364 8.560 6.945 1.00 0.00 C ATOM 527 O GLY A 33 -5.399 7.895 7.087 1.00 0.00 O ATOM 0 H GLY A 33 -1.476 9.236 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.984 7.777 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.958 9.113 8.988 1.00 0.00 H new ATOM 531 N LYS A 34 -4.039 9.192 5.795 1.00 0.00 N ATOM 532 CA LYS A 34 -4.842 9.108 4.556 1.00 0.00 C ATOM 533 C LYS A 34 -4.899 7.666 4.010 1.00 0.00 C ATOM 534 O LYS A 34 -3.888 7.144 3.543 1.00 0.00 O ATOM 535 CB LYS A 34 -4.262 10.072 3.473 1.00 0.00 C ATOM 536 CG LYS A 34 -4.549 11.576 3.717 1.00 0.00 C ATOM 537 CD LYS A 34 -6.028 11.954 3.450 1.00 0.00 C ATOM 538 CE LYS A 34 -6.328 13.442 3.708 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.278 13.780 5.150 1.00 0.00 N ATOM 0 H LYS A 34 -3.209 9.777 5.701 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.861 9.410 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.183 9.927 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.670 9.792 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.294 11.828 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.904 12.174 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.277 11.713 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.672 11.345 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.607 14.055 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.314 13.686 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.486 14.791 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.983 13.214 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.330 13.572 5.523 1.00 0.00 H new ATOM 553 N VAL A 35 -6.083 7.029 4.114 1.00 0.00 N ATOM 554 CA VAL A 35 -6.355 5.718 3.496 1.00 0.00 C ATOM 555 C VAL A 35 -6.920 5.965 2.087 1.00 0.00 C ATOM 556 O VAL A 35 -8.026 6.491 1.945 1.00 0.00 O ATOM 557 CB VAL A 35 -7.379 4.857 4.332 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.554 3.449 3.721 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.968 4.780 5.821 1.00 0.00 C ATOM 0 H VAL A 35 -6.877 7.410 4.629 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.423 5.154 3.459 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.346 5.358 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.265 2.879 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.927 3.539 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.593 2.934 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.695 4.180 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.983 4.321 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.937 5.785 6.242 1.00 0.00 H new ATOM 569 N GLU A 36 -6.146 5.606 1.061 1.00 0.00 N ATOM 570 CA GLU A 36 -6.481 5.876 -0.344 1.00 0.00 C ATOM 571 C GLU A 36 -6.354 4.591 -1.177 1.00 0.00 C ATOM 572 O GLU A 36 -5.339 3.895 -1.095 1.00 0.00 O ATOM 573 CB GLU A 36 -5.542 6.986 -0.892 1.00 0.00 C ATOM 574 CG GLU A 36 -5.696 7.319 -2.392 1.00 0.00 C ATOM 575 CD GLU A 36 -7.099 7.811 -2.789 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.361 9.025 -2.707 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.949 6.986 -3.186 1.00 0.00 O ATOM 0 H GLU A 36 -5.260 5.115 1.180 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.513 6.221 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.714 7.897 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.510 6.685 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.966 8.083 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.456 6.431 -2.976 1.00 0.00 H new ATOM 584 N ILE A 37 -7.393 4.299 -1.987 1.00 0.00 N ATOM 585 CA ILE A 37 -7.402 3.150 -2.907 1.00 0.00 C ATOM 586 C ILE A 37 -6.520 3.493 -4.124 1.00 0.00 C ATOM 587 O ILE A 37 -6.838 4.411 -4.894 1.00 0.00 O ATOM 588 CB ILE A 37 -8.866 2.776 -3.381 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.814 2.573 -2.149 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.860 1.514 -4.295 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.264 2.269 -2.499 1.00 0.00 C ATOM 0 H ILE A 37 -8.248 4.855 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.009 2.280 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.249 3.608 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.424 1.758 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.785 3.473 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.880 1.283 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.249 1.706 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.447 0.668 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.841 2.145 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.678 3.093 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.312 1.351 -3.085 1.00 0.00 H new ATOM 603 N ALA A 38 -5.422 2.750 -4.279 1.00 0.00 N ATOM 604 CA ALA A 38 -4.401 2.999 -5.306 1.00 0.00 C ATOM 605 C ALA A 38 -4.209 1.752 -6.163 1.00 0.00 C ATOM 606 O ALA A 38 -4.411 0.626 -5.690 1.00 0.00 O ATOM 607 CB ALA A 38 -3.077 3.420 -4.653 1.00 0.00 C ATOM 0 H ALA A 38 -5.212 1.946 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.736 3.813 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.331 3.601 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.230 4.332 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.729 2.626 -3.992 1.00 0.00 H new ATOM 613 N GLU A 39 -3.762 1.971 -7.408 1.00 0.00 N ATOM 614 CA GLU A 39 -3.595 0.906 -8.408 1.00 0.00 C ATOM 615 C GLU A 39 -2.148 0.422 -8.329 1.00 0.00 C ATOM 616 O GLU A 39 -1.217 1.240 -8.437 1.00 0.00 O ATOM 617 CB GLU A 39 -3.919 1.401 -9.855 1.00 0.00 C ATOM 618 CG GLU A 39 -5.383 1.827 -10.125 1.00 0.00 C ATOM 619 CD GLU A 39 -5.813 3.101 -9.364 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.485 4.214 -9.817 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.480 3.000 -8.320 1.00 0.00 O ATOM 0 H GLU A 39 -3.505 2.896 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.294 0.098 -8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.270 2.247 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.660 0.606 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.512 1.993 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.047 1.008 -9.848 1.00 0.00 H new ATOM 628 N ILE A 40 -1.957 -0.891 -8.111 1.00 0.00 N ATOM 629 CA ILE A 40 -0.622 -1.482 -7.992 1.00 0.00 C ATOM 630 C ILE A 40 -0.002 -1.566 -9.396 1.00 0.00 C ATOM 631 O ILE A 40 -0.420 -2.374 -10.228 1.00 0.00 O ATOM 632 CB ILE A 40 -0.672 -2.907 -7.311 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.291 -2.802 -5.874 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.729 -3.578 -7.269 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.366 -4.103 -5.083 1.00 0.00 C ATOM 0 H ILE A 40 -2.719 -1.563 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.007 -0.852 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.312 -3.545 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.706 -2.084 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.298 -2.395 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.650 -4.555 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.105 -3.698 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.416 -2.952 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.810 -3.910 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.979 -4.823 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.362 -4.507 -4.951 1.00 0.00 H new ATOM 647 N ARG A 41 1.009 -0.719 -9.619 1.00 0.00 N ATOM 648 CA ARG A 41 1.727 -0.594 -10.896 1.00 0.00 C ATOM 649 C ARG A 41 2.611 -1.819 -11.131 1.00 0.00 C ATOM 650 O ARG A 41 2.676 -2.358 -12.241 1.00 0.00 O ATOM 651 CB ARG A 41 2.600 0.685 -10.861 1.00 0.00 C ATOM 652 CG ARG A 41 1.803 1.990 -10.649 1.00 0.00 C ATOM 653 CD ARG A 41 2.709 3.218 -10.466 1.00 0.00 C ATOM 654 NE ARG A 41 3.610 3.423 -11.607 1.00 0.00 N ATOM 655 CZ ARG A 41 4.825 3.978 -11.534 1.00 0.00 C ATOM 656 NH1 ARG A 41 5.338 4.350 -10.361 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.533 4.144 -12.639 1.00 0.00 N ATOM 0 H ARG A 41 1.360 -0.086 -8.901 1.00 0.00 H new ATOM 0 HA ARG A 41 1.005 -0.527 -11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.335 0.588 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.154 0.759 -11.797 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.147 2.153 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.164 1.882 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.091 4.105 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.299 3.099 -9.557 1.00 0.00 H new ATOM 0 HE ARG A 41 3.285 3.119 -12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.803 4.213 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.266 4.772 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.152 3.850 -13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.460 4.566 -12.592 1.00 0.00 H new ATOM 671 N ASN A 42 3.282 -2.240 -10.057 1.00 0.00 N ATOM 672 CA ASN A 42 4.241 -3.349 -10.083 1.00 0.00 C ATOM 673 C ASN A 42 4.420 -3.878 -8.650 1.00 0.00 C ATOM 674 O ASN A 42 3.924 -3.291 -7.696 1.00 0.00 O ATOM 675 CB ASN A 42 5.600 -2.873 -10.704 1.00 0.00 C ATOM 676 CG ASN A 42 6.595 -4.006 -10.996 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.208 -5.142 -11.264 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.880 -3.695 -10.978 1.00 0.00 N ATOM 0 H ASN A 42 3.175 -1.817 -9.135 1.00 0.00 H new ATOM 0 HA ASN A 42 3.869 -4.159 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.394 -2.338 -11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.067 -2.162 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.580 -4.406 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.171 -2.744 -10.752 1.00 0.00 H new ATOM 685 N VAL A 43 5.098 -5.011 -8.519 1.00 0.00 N ATOM 686 CA VAL A 43 5.442 -5.637 -7.234 1.00 0.00 C ATOM 687 C VAL A 43 6.982 -5.721 -7.142 1.00 0.00 C ATOM 688 O VAL A 43 7.604 -6.679 -7.613 1.00 0.00 O ATOM 689 CB VAL A 43 4.736 -7.050 -7.111 1.00 0.00 C ATOM 690 CG1 VAL A 43 3.240 -6.890 -6.762 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.881 -7.869 -8.417 1.00 0.00 C ATOM 0 H VAL A 43 5.437 -5.540 -9.322 1.00 0.00 H new ATOM 0 HA VAL A 43 5.080 -5.044 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 43 5.233 -7.590 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.778 -7.874 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.142 -6.366 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.743 -6.317 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.386 -8.833 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.422 -7.324 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.938 -8.028 -8.631 1.00 0.00 H new ATOM 701 N VAL A 44 7.602 -4.665 -6.568 1.00 0.00 N ATOM 702 CA VAL A 44 9.061 -4.449 -6.660 1.00 0.00 C ATOM 703 C VAL A 44 9.614 -3.767 -5.384 1.00 0.00 C ATOM 704 O VAL A 44 8.969 -2.898 -4.792 1.00 0.00 O ATOM 705 CB VAL A 44 9.416 -3.600 -7.949 1.00 0.00 C ATOM 706 CG1 VAL A 44 8.751 -2.198 -7.929 1.00 0.00 C ATOM 707 CG2 VAL A 44 10.940 -3.508 -8.181 1.00 0.00 C ATOM 0 H VAL A 44 7.111 -3.948 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 44 9.539 -5.425 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 44 8.996 -4.137 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.023 -1.653 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.668 -2.310 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.094 -1.645 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.137 -2.917 -9.075 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.411 -3.032 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.349 -4.510 -8.311 1.00 0.00 H new ATOM 717 N GLU A 45 10.822 -4.220 -4.981 1.00 0.00 N ATOM 718 CA GLU A 45 11.576 -3.722 -3.815 1.00 0.00 C ATOM 719 C GLU A 45 13.083 -3.705 -4.174 1.00 0.00 C ATOM 720 O GLU A 45 13.615 -2.669 -4.583 1.00 0.00 O ATOM 721 CB GLU A 45 11.275 -4.575 -2.514 1.00 0.00 C ATOM 722 CG GLU A 45 10.609 -5.973 -2.723 1.00 0.00 C ATOM 723 CD GLU A 45 11.454 -6.979 -3.521 1.00 0.00 C ATOM 724 OE1 GLU A 45 12.267 -7.698 -2.920 1.00 0.00 O ATOM 725 OE2 GLU A 45 11.316 -7.049 -4.756 1.00 0.00 O ATOM 0 H GLU A 45 11.312 -4.966 -5.475 1.00 0.00 H new ATOM 0 HA GLU A 45 11.257 -2.707 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.214 -4.723 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.629 -3.985 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.385 -6.402 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.657 -5.833 -3.235 1.00 0.00 H new ATOM 732 N ASN A 46 13.747 -4.865 -4.031 1.00 0.00 N ATOM 733 CA ASN A 46 15.128 -5.108 -4.484 1.00 0.00 C ATOM 734 C ASN A 46 15.120 -6.169 -5.618 1.00 0.00 C ATOM 735 O ASN A 46 16.160 -6.707 -5.988 1.00 0.00 O ATOM 736 CB ASN A 46 15.990 -5.558 -3.259 1.00 0.00 C ATOM 737 CG ASN A 46 17.495 -5.654 -3.556 1.00 0.00 C ATOM 738 OD1 ASN A 46 18.015 -6.722 -3.886 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.194 -4.537 -3.462 1.00 0.00 N ATOM 0 H ASN A 46 13.327 -5.681 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 46 15.570 -4.198 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.836 -4.854 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.635 -6.530 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 46 19.194 -4.542 -3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.734 -3.669 -3.186 1.00 0.00 H new ATOM 746 N THR A 47 13.912 -6.418 -6.184 1.00 0.00 N ATOM 747 CA THR A 47 13.643 -7.415 -7.247 1.00 0.00 C ATOM 748 C THR A 47 14.106 -8.832 -6.833 1.00 0.00 C ATOM 749 O THR A 47 15.196 -9.289 -7.210 1.00 0.00 O ATOM 750 CB THR A 47 14.215 -7.008 -8.669 1.00 0.00 C ATOM 751 OG1 THR A 47 15.652 -6.902 -8.662 1.00 0.00 O ATOM 752 CG2 THR A 47 13.628 -5.675 -9.154 1.00 0.00 C ATOM 0 H THR A 47 13.072 -5.913 -5.902 1.00 0.00 H new ATOM 0 HA THR A 47 12.559 -7.432 -7.361 1.00 0.00 H new ATOM 0 HB THR A 47 13.919 -7.806 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.976 -6.903 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.043 -5.429 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.544 -5.761 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.879 -4.887 -8.444 1.00 0.00 H new ATOM 760 N ALA A 48 13.281 -9.493 -6.000 1.00 0.00 N ATOM 761 CA ALA A 48 13.561 -10.859 -5.513 1.00 0.00 C ATOM 762 C ALA A 48 13.386 -11.902 -6.637 1.00 0.00 C ATOM 763 O ALA A 48 14.156 -12.865 -6.725 1.00 0.00 O ATOM 764 CB ALA A 48 12.666 -11.186 -4.304 1.00 0.00 C ATOM 0 H ALA A 48 12.408 -9.100 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 48 14.602 -10.902 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.882 -12.196 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.863 -10.474 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.619 -11.120 -4.598 1.00 0.00 H new ATOM 770 N ASN A 49 12.374 -11.684 -7.500 1.00 0.00 N ATOM 771 CA ASN A 49 12.121 -12.513 -8.704 1.00 0.00 C ATOM 772 C ASN A 49 12.331 -11.636 -9.965 1.00 0.00 C ATOM 773 O ASN A 49 11.392 -10.948 -10.402 1.00 0.00 O ATOM 774 CB ASN A 49 10.690 -13.118 -8.680 1.00 0.00 C ATOM 775 CG ASN A 49 10.401 -13.951 -7.427 1.00 0.00 C ATOM 776 OD1 ASN A 49 9.910 -13.435 -6.426 1.00 0.00 O ATOM 777 ND2 ASN A 49 10.715 -15.237 -7.464 1.00 0.00 N ATOM 0 H ASN A 49 11.703 -10.924 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 49 12.820 -13.349 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.961 -12.310 -8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.553 -13.743 -9.562 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.550 -15.826 -6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.121 -15.639 -8.309 1.00 0.00 H new ATOM 784 N PRO A 50 13.581 -11.615 -10.549 1.00 0.00 N ATOM 785 CA PRO A 50 13.931 -10.757 -11.715 1.00 0.00 C ATOM 786 C PRO A 50 13.103 -11.090 -12.983 1.00 0.00 C ATOM 787 O PRO A 50 13.239 -12.186 -13.537 1.00 0.00 O ATOM 788 CB PRO A 50 15.450 -11.031 -11.942 1.00 0.00 C ATOM 789 CG PRO A 50 15.928 -11.622 -10.648 1.00 0.00 C ATOM 790 CD PRO A 50 14.759 -12.415 -10.115 1.00 0.00 C ATOM 0 HA PRO A 50 13.709 -9.708 -11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.609 -11.718 -12.773 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.987 -10.113 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.797 -12.261 -10.805 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.227 -10.843 -9.947 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.735 -13.424 -10.527 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.801 -12.515 -9.030 1.00 0.00 H new ATOM 798 N HIS A 51 12.208 -10.146 -13.363 1.00 0.00 N ATOM 799 CA HIS A 51 11.422 -10.157 -14.629 1.00 0.00 C ATOM 800 C HIS A 51 10.221 -11.135 -14.584 1.00 0.00 C ATOM 801 O HIS A 51 9.381 -11.128 -15.495 1.00 0.00 O ATOM 802 CB HIS A 51 12.348 -10.422 -15.865 1.00 0.00 C ATOM 803 CG HIS A 51 11.700 -10.235 -17.220 1.00 0.00 C ATOM 804 ND1 HIS A 51 11.482 -8.997 -17.780 1.00 0.00 N ATOM 805 CD2 HIS A 51 11.240 -11.133 -18.128 1.00 0.00 C ATOM 806 CE1 HIS A 51 10.922 -9.141 -18.964 1.00 0.00 C ATOM 807 NE2 HIS A 51 10.762 -10.425 -19.199 1.00 0.00 N ATOM 0 H HIS A 51 12.005 -9.332 -12.784 1.00 0.00 H new ATOM 0 HA HIS A 51 10.991 -9.162 -14.742 1.00 0.00 H new ATOM 0 HB2 HIS A 51 13.210 -9.758 -15.800 1.00 0.00 H new ATOM 0 HB3 HIS A 51 12.726 -11.442 -15.801 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.249 -12.208 -18.025 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.641 -8.339 -19.630 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.350 -10.828 -20.041 1.00 0.00 H new ATOM 816 N PHE A 52 10.120 -11.943 -13.511 1.00 0.00 N ATOM 817 CA PHE A 52 9.054 -12.949 -13.365 1.00 0.00 C ATOM 818 C PHE A 52 7.683 -12.273 -13.175 1.00 0.00 C ATOM 819 O PHE A 52 7.465 -11.557 -12.197 1.00 0.00 O ATOM 820 CB PHE A 52 9.357 -13.915 -12.192 1.00 0.00 C ATOM 821 CG PHE A 52 10.528 -14.866 -12.461 1.00 0.00 C ATOM 822 CD1 PHE A 52 10.322 -16.073 -13.122 1.00 0.00 C ATOM 823 CD2 PHE A 52 11.830 -14.546 -12.079 1.00 0.00 C ATOM 824 CE1 PHE A 52 11.371 -16.938 -13.371 1.00 0.00 C ATOM 825 CE2 PHE A 52 12.879 -15.409 -12.329 1.00 0.00 C ATOM 826 CZ PHE A 52 12.651 -16.603 -12.983 1.00 0.00 C ATOM 0 H PHE A 52 10.771 -11.916 -12.726 1.00 0.00 H new ATOM 0 HA PHE A 52 9.020 -13.535 -14.283 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.574 -13.330 -11.298 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.465 -14.504 -11.978 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.326 -16.338 -13.446 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.022 -13.608 -11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.188 -17.878 -13.870 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.878 -15.149 -12.013 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.473 -17.273 -13.190 1.00 0.00 H new ATOM 836 N VAL A 53 6.772 -12.508 -14.137 1.00 0.00 N ATOM 837 CA VAL A 53 5.388 -11.984 -14.098 1.00 0.00 C ATOM 838 C VAL A 53 4.573 -12.724 -13.000 1.00 0.00 C ATOM 839 O VAL A 53 3.569 -12.207 -12.488 1.00 0.00 O ATOM 840 CB VAL A 53 4.693 -12.118 -15.511 1.00 0.00 C ATOM 841 CG1 VAL A 53 3.333 -11.374 -15.567 1.00 0.00 C ATOM 842 CG2 VAL A 53 5.634 -11.638 -16.646 1.00 0.00 C ATOM 0 H VAL A 53 6.972 -13.067 -14.966 1.00 0.00 H new ATOM 0 HA VAL A 53 5.422 -10.923 -13.850 1.00 0.00 H new ATOM 0 HB VAL A 53 4.487 -13.177 -15.664 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.893 -11.494 -16.557 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.660 -11.790 -14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.489 -10.314 -15.366 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.129 -11.742 -17.606 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.895 -10.592 -16.485 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.541 -12.242 -16.646 1.00 0.00 H new ATOM 852 N ARG A 54 5.063 -13.926 -12.610 1.00 0.00 N ATOM 853 CA ARG A 54 4.510 -14.719 -11.485 1.00 0.00 C ATOM 854 C ARG A 54 4.859 -14.113 -10.106 1.00 0.00 C ATOM 855 O ARG A 54 4.564 -14.714 -9.067 1.00 0.00 O ATOM 856 CB ARG A 54 4.995 -16.194 -11.569 1.00 0.00 C ATOM 857 CG ARG A 54 4.388 -16.994 -12.743 1.00 0.00 C ATOM 858 CD ARG A 54 4.858 -18.459 -12.778 1.00 0.00 C ATOM 859 NE ARG A 54 4.570 -19.170 -11.510 1.00 0.00 N ATOM 860 CZ ARG A 54 3.596 -20.079 -11.331 1.00 0.00 C ATOM 861 NH1 ARG A 54 2.724 -20.339 -12.292 1.00 0.00 N ATOM 862 NH2 ARG A 54 3.487 -20.705 -10.170 1.00 0.00 N ATOM 0 H ARG A 54 5.856 -14.374 -13.069 1.00 0.00 H new ATOM 0 HA ARG A 54 3.424 -14.693 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.081 -16.203 -11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.750 -16.699 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.301 -16.969 -12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.655 -16.510 -13.682 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.367 -18.977 -13.602 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.930 -18.490 -12.975 1.00 0.00 H new ATOM 0 HE ARG A 54 5.160 -18.952 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.786 -19.847 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.990 -21.031 -12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.141 -20.497 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.749 -21.395 -10.030 1.00 0.00 H new ATOM 876 N ARG A 55 5.477 -12.914 -10.103 1.00 0.00 N ATOM 877 CA ARG A 55 5.679 -12.109 -8.879 1.00 0.00 C ATOM 878 C ARG A 55 4.333 -11.468 -8.425 1.00 0.00 C ATOM 879 O ARG A 55 4.245 -10.904 -7.330 1.00 0.00 O ATOM 880 CB ARG A 55 6.793 -11.026 -9.119 1.00 0.00 C ATOM 881 CG ARG A 55 7.830 -10.878 -7.978 1.00 0.00 C ATOM 882 CD ARG A 55 7.226 -10.411 -6.645 1.00 0.00 C ATOM 883 NE ARG A 55 8.198 -10.472 -5.543 1.00 0.00 N ATOM 884 CZ ARG A 55 8.952 -9.456 -5.107 1.00 0.00 C ATOM 885 NH1 ARG A 55 8.913 -8.268 -5.695 1.00 0.00 N ATOM 886 NH2 ARG A 55 9.754 -9.651 -4.074 1.00 0.00 N ATOM 0 H ARG A 55 5.849 -12.477 -10.946 1.00 0.00 H new ATOM 0 HA ARG A 55 6.020 -12.759 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.323 -11.272 -10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.311 -10.061 -9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.326 -11.836 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.597 -10.168 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.863 -9.389 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.364 -11.032 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 55 8.307 -11.368 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.300 -8.115 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.496 -7.507 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.791 -10.565 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.336 -8.888 -3.729 1.00 0.00 H new ATOM 900 N ASN A 56 3.288 -11.571 -9.282 1.00 0.00 N ATOM 901 CA ASN A 56 1.898 -11.152 -8.948 1.00 0.00 C ATOM 902 C ASN A 56 1.374 -11.885 -7.683 1.00 0.00 C ATOM 903 O ASN A 56 0.406 -11.446 -7.056 1.00 0.00 O ATOM 904 CB ASN A 56 0.944 -11.393 -10.160 1.00 0.00 C ATOM 905 CG ASN A 56 0.752 -12.874 -10.534 1.00 0.00 C ATOM 906 OD1 ASN A 56 1.623 -13.713 -10.321 1.00 0.00 O ATOM 907 ND2 ASN A 56 -0.395 -13.206 -11.104 1.00 0.00 N ATOM 0 H ASN A 56 3.382 -11.947 -10.226 1.00 0.00 H new ATOM 0 HA ASN A 56 1.916 -10.084 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.030 -10.959 -9.932 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.335 -10.860 -11.026 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.568 -14.174 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.106 -12.494 -11.272 1.00 0.00 H new ATOM 914 N ILE A 57 2.019 -13.026 -7.357 1.00 0.00 N ATOM 915 CA ILE A 57 1.877 -13.704 -6.060 1.00 0.00 C ATOM 916 C ILE A 57 2.502 -12.804 -4.959 1.00 0.00 C ATOM 917 O ILE A 57 3.720 -12.844 -4.711 1.00 0.00 O ATOM 918 CB ILE A 57 2.579 -15.123 -6.071 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.104 -15.969 -7.298 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.344 -15.888 -4.737 1.00 0.00 C ATOM 921 CD1 ILE A 57 2.891 -17.250 -7.531 1.00 0.00 C ATOM 0 H ILE A 57 2.657 -13.502 -7.995 1.00 0.00 H new ATOM 0 HA ILE A 57 0.818 -13.866 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 57 3.652 -14.960 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.053 -16.224 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.168 -15.352 -8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.840 -16.857 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.752 -15.309 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.275 -16.035 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.491 -17.770 -8.402 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.939 -17.007 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.807 -17.893 -6.655 1.00 0.00 H new ATOM 933 N ILE A 58 1.660 -11.945 -4.372 1.00 0.00 N ATOM 934 CA ILE A 58 2.062 -11.002 -3.313 1.00 0.00 C ATOM 935 C ILE A 58 2.065 -11.726 -1.942 1.00 0.00 C ATOM 936 O ILE A 58 1.341 -12.711 -1.746 1.00 0.00 O ATOM 937 CB ILE A 58 1.084 -9.760 -3.288 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.988 -9.080 -4.698 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.500 -8.729 -2.209 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.015 -7.908 -4.790 1.00 0.00 C ATOM 0 H ILE A 58 0.672 -11.882 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 58 3.069 -10.638 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 58 0.095 -10.136 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.980 -8.731 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.693 -9.834 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.805 -7.889 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.481 -9.202 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.507 -8.369 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.022 -7.508 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.990 -8.249 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.317 -7.129 -4.090 1.00 0.00 H new ATOM 952 N THR A 59 2.914 -11.252 -1.016 1.00 0.00 N ATOM 953 CA THR A 59 2.964 -11.735 0.377 1.00 0.00 C ATOM 954 C THR A 59 2.889 -10.538 1.342 1.00 0.00 C ATOM 955 O THR A 59 2.979 -9.376 0.915 1.00 0.00 O ATOM 956 CB THR A 59 4.286 -12.534 0.649 1.00 0.00 C ATOM 957 OG1 THR A 59 5.427 -11.698 0.380 1.00 0.00 O ATOM 958 CG2 THR A 59 4.386 -13.811 -0.203 1.00 0.00 C ATOM 0 H THR A 59 3.592 -10.516 -1.213 1.00 0.00 H new ATOM 0 HA THR A 59 2.115 -12.400 0.538 1.00 0.00 H new ATOM 0 HB THR A 59 4.269 -12.832 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.250 -12.202 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.319 -14.327 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.545 -14.466 0.023 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.365 -13.546 -1.260 1.00 0.00 H new ATOM 966 N ARG A 60 2.726 -10.835 2.640 1.00 0.00 N ATOM 967 CA ARG A 60 2.808 -9.823 3.703 1.00 0.00 C ATOM 968 C ARG A 60 4.277 -9.390 3.875 1.00 0.00 C ATOM 969 O ARG A 60 5.183 -10.228 3.820 1.00 0.00 O ATOM 970 CB ARG A 60 2.256 -10.390 5.036 1.00 0.00 C ATOM 971 CG ARG A 60 2.096 -9.342 6.161 1.00 0.00 C ATOM 972 CD ARG A 60 1.783 -9.982 7.518 1.00 0.00 C ATOM 973 NE ARG A 60 0.660 -10.934 7.430 1.00 0.00 N ATOM 974 CZ ARG A 60 -0.487 -10.848 8.105 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.714 -9.851 8.950 1.00 0.00 N ATOM 976 NH2 ARG A 60 -1.412 -11.773 7.928 1.00 0.00 N ATOM 0 H ARG A 60 2.535 -11.777 2.981 1.00 0.00 H new ATOM 0 HA ARG A 60 2.203 -8.959 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.287 -10.852 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.922 -11.179 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.012 -8.757 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.297 -8.649 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.668 -10.498 7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.542 -9.202 8.241 1.00 0.00 H new ATOM 0 HE ARG A 60 0.770 -11.727 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.005 -9.132 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.598 -9.803 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.246 -12.543 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.293 -11.717 8.439 1.00 0.00 H new ATOM 990 N GLY A 61 4.502 -8.077 4.049 1.00 0.00 N ATOM 991 CA GLY A 61 5.844 -7.501 4.171 1.00 0.00 C ATOM 992 C GLY A 61 6.482 -7.186 2.824 1.00 0.00 C ATOM 993 O GLY A 61 7.485 -6.465 2.771 1.00 0.00 O ATOM 0 H GLY A 61 3.754 -7.387 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.789 -6.587 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.483 -8.196 4.716 1.00 0.00 H new ATOM 997 N ALA A 62 5.906 -7.734 1.733 1.00 0.00 N ATOM 998 CA ALA A 62 6.367 -7.477 0.361 1.00 0.00 C ATOM 999 C ALA A 62 6.018 -6.041 -0.034 1.00 0.00 C ATOM 1000 O ALA A 62 4.947 -5.529 0.332 1.00 0.00 O ATOM 1001 CB ALA A 62 5.739 -8.480 -0.623 1.00 0.00 C ATOM 0 H ALA A 62 5.108 -8.367 1.784 1.00 0.00 H new ATOM 0 HA ALA A 62 7.449 -7.605 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.094 -8.271 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.024 -9.494 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.653 -8.387 -0.594 1.00 0.00 H new ATOM 1007 N VAL A 63 6.933 -5.393 -0.763 1.00 0.00 N ATOM 1008 CA VAL A 63 6.755 -4.012 -1.216 1.00 0.00 C ATOM 1009 C VAL A 63 6.093 -4.000 -2.598 1.00 0.00 C ATOM 1010 O VAL A 63 6.637 -4.554 -3.570 1.00 0.00 O ATOM 1011 CB VAL A 63 8.120 -3.242 -1.260 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.947 -1.793 -1.754 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.827 -3.291 0.113 1.00 0.00 C ATOM 0 H VAL A 63 7.816 -5.812 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 63 6.110 -3.501 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 63 8.758 -3.749 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.917 -1.296 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.527 -1.799 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.275 -1.258 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.771 -2.750 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.190 -2.830 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.020 -4.328 0.386 1.00 0.00 H new ATOM 1023 N VAL A 64 4.903 -3.396 -2.667 1.00 0.00 N ATOM 1024 CA VAL A 64 4.185 -3.184 -3.923 1.00 0.00 C ATOM 1025 C VAL A 64 4.328 -1.714 -4.352 1.00 0.00 C ATOM 1026 O VAL A 64 4.228 -0.796 -3.531 1.00 0.00 O ATOM 1027 CB VAL A 64 2.664 -3.601 -3.815 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.527 -5.115 -3.517 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.896 -2.766 -2.760 1.00 0.00 C ATOM 0 H VAL A 64 4.410 -3.039 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 64 4.629 -3.826 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 64 2.209 -3.391 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.472 -5.378 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.991 -5.687 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.022 -5.346 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.856 -3.092 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.354 -2.907 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.937 -1.711 -3.031 1.00 0.00 H new ATOM 1039 N GLU A 65 4.597 -1.510 -5.640 1.00 0.00 N ATOM 1040 CA GLU A 65 4.657 -0.184 -6.260 1.00 0.00 C ATOM 1041 C GLU A 65 3.232 0.196 -6.683 1.00 0.00 C ATOM 1042 O GLU A 65 2.575 -0.584 -7.372 1.00 0.00 O ATOM 1043 CB GLU A 65 5.611 -0.208 -7.490 1.00 0.00 C ATOM 1044 CG GLU A 65 5.759 1.130 -8.238 1.00 0.00 C ATOM 1045 CD GLU A 65 6.341 2.258 -7.367 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.583 2.401 -7.304 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.562 3.010 -6.747 1.00 0.00 O ATOM 0 H GLU A 65 4.782 -2.271 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 65 5.047 0.552 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.598 -0.529 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.251 -0.960 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.402 0.983 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.783 1.438 -8.613 1.00 0.00 H new ATOM 1054 N THR A 66 2.757 1.374 -6.261 1.00 0.00 N ATOM 1055 CA THR A 66 1.392 1.853 -6.559 1.00 0.00 C ATOM 1056 C THR A 66 1.480 3.262 -7.143 1.00 0.00 C ATOM 1057 O THR A 66 2.566 3.845 -7.189 1.00 0.00 O ATOM 1058 CB THR A 66 0.462 1.862 -5.289 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.879 2.875 -4.356 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.441 0.494 -4.581 1.00 0.00 C ATOM 0 H THR A 66 3.306 2.027 -5.702 1.00 0.00 H new ATOM 0 HA THR A 66 0.945 1.163 -7.275 1.00 0.00 H new ATOM 0 HB THR A 66 -0.546 2.083 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.842 2.795 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.213 0.545 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.071 -0.266 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.450 0.234 -4.262 1.00 0.00 H new ATOM 1068 N ASN A 67 0.335 3.812 -7.584 1.00 0.00 N ATOM 1069 CA ASN A 67 0.269 5.180 -8.149 1.00 0.00 C ATOM 1070 C ASN A 67 0.609 6.264 -7.107 1.00 0.00 C ATOM 1071 O ASN A 67 0.835 7.415 -7.479 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.120 5.456 -8.772 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.416 4.613 -10.013 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.520 4.210 -10.749 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.677 4.379 -10.274 1.00 0.00 N ATOM 0 H ASN A 67 -0.564 3.331 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 67 1.026 5.230 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.889 5.266 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.187 6.511 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.936 3.850 -11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.401 4.726 -9.645 1.00 0.00 H new ATOM 1082 N LEU A 68 0.656 5.888 -5.809 1.00 0.00 N ATOM 1083 CA LEU A 68 1.039 6.799 -4.716 1.00 0.00 C ATOM 1084 C LEU A 68 2.531 6.618 -4.413 1.00 0.00 C ATOM 1085 O LEU A 68 3.284 7.590 -4.303 1.00 0.00 O ATOM 1086 CB LEU A 68 0.193 6.514 -3.451 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.353 6.635 -3.614 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.069 6.345 -2.278 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.767 8.017 -4.187 1.00 0.00 C ATOM 0 H LEU A 68 0.429 4.945 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 68 0.852 7.829 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.423 5.506 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.509 7.201 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.667 5.883 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.147 6.435 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.829 5.334 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.738 7.060 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.852 8.060 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.432 8.805 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.308 8.157 -5.166 1.00 0.00 H new ATOM 1101 N GLY A 69 2.937 5.350 -4.281 1.00 0.00 N ATOM 1102 CA GLY A 69 4.324 4.990 -4.017 1.00 0.00 C ATOM 1103 C GLY A 69 4.462 3.535 -3.616 1.00 0.00 C ATOM 1104 O GLY A 69 3.561 2.727 -3.850 1.00 0.00 O ATOM 0 H GLY A 69 2.309 4.549 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.924 5.180 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.719 5.625 -3.224 1.00 0.00 H new ATOM 1108 N ASN A 70 5.595 3.198 -3.004 1.00 0.00 N ATOM 1109 CA ASN A 70 5.852 1.851 -2.469 1.00 0.00 C ATOM 1110 C ASN A 70 5.065 1.643 -1.175 1.00 0.00 C ATOM 1111 O ASN A 70 4.899 2.580 -0.404 1.00 0.00 O ATOM 1112 CB ASN A 70 7.366 1.672 -2.240 1.00 0.00 C ATOM 1113 CG ASN A 70 8.175 1.687 -3.541 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.267 2.219 -3.579 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.662 1.073 -4.605 1.00 0.00 N ATOM 0 H ASN A 70 6.367 3.849 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 70 5.520 1.099 -3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.725 2.467 -1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.540 0.729 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.188 1.041 -5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.743 0.634 -4.547 1.00 0.00 H new ATOM 1122 N VAL A 71 4.541 0.423 -0.955 1.00 0.00 N ATOM 1123 CA VAL A 71 3.663 0.113 0.201 1.00 0.00 C ATOM 1124 C VAL A 71 4.078 -1.235 0.838 1.00 0.00 C ATOM 1125 O VAL A 71 4.501 -2.148 0.125 1.00 0.00 O ATOM 1126 CB VAL A 71 2.145 0.037 -0.254 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.184 -0.110 0.943 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.739 1.245 -1.134 1.00 0.00 C ATOM 0 H VAL A 71 4.710 -0.375 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 71 3.772 0.911 0.936 1.00 0.00 H new ATOM 0 HB VAL A 71 2.057 -0.863 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.157 -0.158 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.419 -1.024 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.295 0.748 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.692 1.150 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.879 2.168 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.360 1.268 -2.029 1.00 0.00 H new ATOM 1138 N ARG A 72 3.931 -1.352 2.181 1.00 0.00 N ATOM 1139 CA ARG A 72 4.109 -2.633 2.908 1.00 0.00 C ATOM 1140 C ARG A 72 2.755 -3.305 2.989 1.00 0.00 C ATOM 1141 O ARG A 72 1.843 -2.737 3.577 1.00 0.00 O ATOM 1142 CB ARG A 72 4.643 -2.438 4.366 1.00 0.00 C ATOM 1143 CG ARG A 72 6.111 -2.028 4.472 1.00 0.00 C ATOM 1144 CD ARG A 72 7.086 -3.081 3.914 1.00 0.00 C ATOM 1145 NE ARG A 72 8.473 -2.572 3.929 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.571 -3.255 3.564 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.502 -4.534 3.215 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.743 -2.640 3.548 1.00 0.00 N ATOM 0 H ARG A 72 3.688 -0.568 2.786 1.00 0.00 H new ATOM 0 HA ARG A 72 4.845 -3.228 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.034 -1.681 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.502 -3.369 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.257 -1.090 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.352 -1.839 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.022 -3.993 4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.801 -3.343 2.895 1.00 0.00 H new ATOM 0 HE ARG A 72 8.610 -1.612 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.603 -5.016 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.348 -5.034 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.807 -1.657 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.583 -3.149 3.272 1.00 0.00 H new ATOM 1162 N VAL A 73 2.629 -4.505 2.424 1.00 0.00 N ATOM 1163 CA VAL A 73 1.379 -5.275 2.497 1.00 0.00 C ATOM 1164 C VAL A 73 1.231 -5.826 3.929 1.00 0.00 C ATOM 1165 O VAL A 73 2.122 -6.503 4.428 1.00 0.00 O ATOM 1166 CB VAL A 73 1.358 -6.432 1.432 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.041 -7.249 1.488 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.598 -5.853 0.019 1.00 0.00 C ATOM 0 H VAL A 73 3.377 -4.969 1.909 1.00 0.00 H new ATOM 0 HA VAL A 73 0.534 -4.626 2.267 1.00 0.00 H new ATOM 0 HB VAL A 73 2.166 -7.124 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.070 -8.037 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.069 -7.695 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.805 -6.590 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.582 -6.661 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.814 -5.134 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.568 -5.356 -0.011 1.00 0.00 H new ATOM 1178 N THR A 74 0.122 -5.489 4.592 1.00 0.00 N ATOM 1179 CA THR A 74 -0.103 -5.802 6.013 1.00 0.00 C ATOM 1180 C THR A 74 -1.170 -6.904 6.154 1.00 0.00 C ATOM 1181 O THR A 74 -1.121 -7.724 7.074 1.00 0.00 O ATOM 1182 CB THR A 74 -0.539 -4.511 6.783 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.720 -3.951 6.170 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.583 -3.450 6.805 1.00 0.00 C ATOM 0 H THR A 74 -0.653 -4.988 4.158 1.00 0.00 H new ATOM 0 HA THR A 74 0.827 -6.168 6.447 1.00 0.00 H new ATOM 0 HB THR A 74 -0.752 -4.796 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.990 -3.144 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.241 -2.570 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.463 -3.862 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.838 -3.169 5.783 1.00 0.00 H new ATOM 1192 N SER A 75 -2.133 -6.903 5.222 1.00 0.00 N ATOM 1193 CA SER A 75 -3.229 -7.893 5.177 1.00 0.00 C ATOM 1194 C SER A 75 -2.891 -9.017 4.168 1.00 0.00 C ATOM 1195 O SER A 75 -1.802 -9.032 3.575 1.00 0.00 O ATOM 1196 CB SER A 75 -4.546 -7.166 4.801 1.00 0.00 C ATOM 1197 OG SER A 75 -5.685 -8.001 4.947 1.00 0.00 O ATOM 0 H SER A 75 -2.178 -6.213 4.472 1.00 0.00 H new ATOM 0 HA SER A 75 -3.354 -8.360 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.663 -6.283 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.484 -6.817 3.770 1.00 0.00 H new ATOM 0 HG SER A 75 -6.491 -7.501 4.701 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.817 -9.980 4.004 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.695 -11.050 2.996 1.00 0.00 C ATOM 1205 C ARG A 76 -4.107 -10.489 1.609 1.00 0.00 C ATOM 1206 O ARG A 76 -5.189 -9.897 1.489 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.558 -12.291 3.378 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.994 -13.172 4.524 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.016 -12.497 5.905 1.00 0.00 C ATOM 1210 NE ARG A 76 -5.392 -12.205 6.355 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.931 -12.610 7.521 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.250 -13.373 8.363 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -7.164 -12.263 7.828 1.00 0.00 N ATOM 0 H ARG A 76 -4.668 -10.038 4.564 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.658 -11.384 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.552 -11.946 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.680 -12.913 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.570 -14.096 4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.968 -13.449 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.526 -13.144 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.443 -11.571 5.865 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.982 -11.652 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.300 -13.664 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.676 -13.669 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.708 -11.689 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.575 -12.568 8.710 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.261 -10.671 0.543 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.488 -10.049 -0.785 1.00 0.00 C ATOM 1229 C PRO A 77 -4.714 -10.620 -1.543 1.00 0.00 C ATOM 1230 O PRO A 77 -4.692 -11.750 -2.042 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.164 -10.326 -1.536 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.632 -11.579 -0.908 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.014 -11.491 0.552 1.00 0.00 C ATOM 0 HA PRO A 77 -3.727 -8.989 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.334 -10.459 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.464 -9.498 -1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.063 -12.465 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.551 -11.650 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.187 -12.478 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.229 -11.020 1.144 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.805 -9.835 -1.541 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.001 -10.103 -2.354 1.00 0.00 C ATOM 1243 C GLY A 78 -7.864 -11.259 -1.866 1.00 0.00 C ATOM 1244 O GLY A 78 -8.919 -11.518 -2.452 1.00 0.00 O ATOM 0 H GLY A 78 -5.881 -8.992 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.612 -9.201 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.688 -10.310 -3.377 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.447 -11.921 -0.768 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.095 -13.151 -0.268 1.00 0.00 C ATOM 1250 C GLN A 79 -9.510 -12.871 0.267 1.00 0.00 C ATOM 1251 O GLN A 79 -10.452 -13.615 -0.019 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.211 -13.811 0.825 1.00 0.00 C ATOM 1253 CG GLN A 79 -5.808 -14.232 0.345 1.00 0.00 C ATOM 1254 CD GLN A 79 -5.848 -15.295 -0.758 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.871 -16.494 -0.482 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -5.855 -14.870 -2.009 1.00 0.00 N ATOM 0 H GLN A 79 -6.653 -11.619 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.198 -13.842 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.103 -13.114 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.728 -14.690 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.277 -13.354 -0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.240 -14.616 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.835 -13.870 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.880 -15.542 -2.776 1.00 0.00 H new ATOM 1265 N ASP A 80 -9.645 -11.779 1.027 1.00 0.00 N ATOM 1266 CA ASP A 80 -10.948 -11.303 1.559 1.00 0.00 C ATOM 1267 C ASP A 80 -11.636 -10.336 0.550 1.00 0.00 C ATOM 1268 O ASP A 80 -12.737 -9.821 0.796 1.00 0.00 O ATOM 1269 CB ASP A 80 -10.681 -10.637 2.938 1.00 0.00 C ATOM 1270 CG ASP A 80 -11.937 -10.133 3.673 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -12.611 -10.932 4.361 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -12.257 -8.935 3.579 1.00 0.00 O ATOM 0 H ASP A 80 -8.857 -11.191 1.297 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.640 -12.134 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.168 -11.355 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.002 -9.797 2.793 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.005 -10.159 -0.622 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.418 -9.151 -1.597 1.00 0.00 C ATOM 1279 C GLY A 81 -10.868 -7.789 -1.221 1.00 0.00 C ATOM 1280 O GLY A 81 -11.520 -6.764 -1.405 1.00 0.00 O ATOM 0 H GLY A 81 -10.198 -10.711 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.065 -9.431 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.506 -9.109 -1.646 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.638 -7.812 -0.698 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.966 -6.622 -0.169 1.00 0.00 C ATOM 1286 C VAL A 82 -7.461 -6.881 -0.061 1.00 0.00 C ATOM 1287 O VAL A 82 -7.034 -7.986 0.292 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.561 -6.176 1.227 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.313 -7.222 2.341 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.042 -4.784 1.644 1.00 0.00 C ATOM 0 H VAL A 82 -9.078 -8.662 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.140 -5.801 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.641 -6.107 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.742 -6.865 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.781 -8.166 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.241 -7.372 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.471 -4.509 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.955 -4.810 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.332 -4.048 0.894 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.666 -5.862 -0.398 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.234 -5.801 -0.079 1.00 0.00 C ATOM 1302 C ILE A 83 -5.069 -4.523 0.750 1.00 0.00 C ATOM 1303 O ILE A 83 -5.567 -3.469 0.346 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.301 -5.730 -1.364 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.701 -6.809 -2.424 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.803 -5.876 -0.968 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.882 -6.791 -3.710 1.00 0.00 C ATOM 0 H ILE A 83 -7.002 -5.044 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.930 -6.707 0.445 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.443 -4.750 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.610 -7.795 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.752 -6.672 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.183 -5.824 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.526 -5.070 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.649 -6.836 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.237 -7.576 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.991 -5.822 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.832 -6.962 -3.475 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.430 -4.608 1.916 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.193 -3.432 2.789 1.00 0.00 C ATOM 1321 C ASN A 84 -2.706 -3.250 3.003 1.00 0.00 C ATOM 1322 O ASN A 84 -1.938 -4.218 2.902 1.00 0.00 O ATOM 1323 CB ASN A 84 -4.915 -3.586 4.157 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.431 -3.544 4.047 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -6.983 -2.824 3.225 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.121 -4.324 4.864 1.00 0.00 N ATOM 0 H ASN A 84 -4.060 -5.482 2.291 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.602 -2.551 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.617 -4.530 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.584 -2.791 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.140 -4.336 4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.634 -4.913 5.539 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.306 -2.005 3.267 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.930 -1.698 3.590 1.00 0.00 C ATOM 1335 C GLY A 85 -0.715 -0.261 4.027 1.00 0.00 C ATOM 1336 O GLY A 85 -1.657 0.526 4.073 1.00 0.00 O ATOM 0 H GLY A 85 -2.927 -1.196 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.595 -2.365 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.307 -1.901 2.719 1.00 0.00 H new ATOM 1340 N VAL A 86 0.549 0.070 4.345 1.00 0.00 N ATOM 1341 CA VAL A 86 0.965 1.418 4.793 1.00 0.00 C ATOM 1342 C VAL A 86 2.069 1.962 3.870 1.00 0.00 C ATOM 1343 O VAL A 86 2.984 1.216 3.488 1.00 0.00 O ATOM 1344 CB VAL A 86 1.430 1.414 6.304 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.233 1.120 7.243 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.588 0.408 6.547 1.00 0.00 C ATOM 0 H VAL A 86 1.321 -0.595 4.299 1.00 0.00 H new ATOM 0 HA VAL A 86 0.101 2.080 4.730 1.00 0.00 H new ATOM 0 HB VAL A 86 1.812 2.408 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.574 1.122 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.530 1.887 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.188 0.144 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.879 0.435 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.257 -0.598 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.442 0.680 5.927 1.00 0.00 H new ATOM 1356 N LEU A 87 1.955 3.249 3.485 1.00 0.00 N ATOM 1357 CA LEU A 87 2.863 3.879 2.508 1.00 0.00 C ATOM 1358 C LEU A 87 4.300 3.989 3.072 1.00 0.00 C ATOM 1359 O LEU A 87 4.506 4.376 4.225 1.00 0.00 O ATOM 1360 CB LEU A 87 2.334 5.281 2.090 1.00 0.00 C ATOM 1361 CG LEU A 87 3.048 5.960 0.870 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.924 5.106 -0.411 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.505 7.384 0.624 1.00 0.00 C ATOM 0 H LEU A 87 1.235 3.877 3.841 1.00 0.00 H new ATOM 0 HA LEU A 87 2.895 3.243 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.273 5.191 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.417 5.947 2.949 1.00 0.00 H new ATOM 0 HG LEU A 87 4.106 6.036 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.431 5.609 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.382 4.131 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.871 4.974 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.020 7.828 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.436 7.335 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.675 7.996 1.510 1.00 0.00 H new ATOM 1375 N ILE A 88 5.273 3.613 2.239 1.00 0.00 N ATOM 1376 CA ILE A 88 6.712 3.626 2.565 1.00 0.00 C ATOM 1377 C ILE A 88 7.503 4.233 1.389 1.00 0.00 C ATOM 1378 O ILE A 88 6.939 4.536 0.325 1.00 0.00 O ATOM 1379 CB ILE A 88 7.259 2.177 2.870 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.074 1.265 1.616 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.582 1.571 4.128 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.588 -0.146 1.736 1.00 0.00 C ATOM 0 H ILE A 88 5.083 3.282 1.293 1.00 0.00 H new ATOM 0 HA ILE A 88 6.843 4.231 3.462 1.00 0.00 H new ATOM 0 HB ILE A 88 8.325 2.244 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.011 1.223 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.572 1.740 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.981 0.573 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.783 2.206 4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.506 1.508 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.403 -0.681 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.659 -0.127 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.074 -0.652 2.553 1.00 0.00 H new ATOM 1394 N ARG A 89 8.823 4.401 1.592 1.00 0.00 N ATOM 1395 CA ARG A 89 9.719 5.039 0.615 1.00 0.00 C ATOM 1396 C ARG A 89 10.963 4.148 0.406 1.00 0.00 C ATOM 1397 O ARG A 89 11.981 4.331 1.080 1.00 0.00 O ATOM 1398 CB ARG A 89 10.108 6.463 1.133 1.00 0.00 C ATOM 1399 CG ARG A 89 8.902 7.366 1.504 1.00 0.00 C ATOM 1400 CD ARG A 89 9.309 8.659 2.229 1.00 0.00 C ATOM 1401 NE ARG A 89 8.134 9.447 2.641 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.951 10.757 2.421 1.00 0.00 C ATOM 1403 NH1 ARG A 89 8.857 11.469 1.757 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.868 11.356 2.879 1.00 0.00 N ATOM 0 H ARG A 89 9.298 4.096 2.442 1.00 0.00 H new ATOM 0 HA ARG A 89 9.221 5.151 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.747 6.355 2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.699 6.965 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.357 7.623 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.217 6.803 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.907 8.411 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.939 9.261 1.574 1.00 0.00 H new ATOM 0 HE ARG A 89 7.394 8.952 3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.703 11.019 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.705 12.465 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.172 10.823 3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.727 12.352 2.713 1.00 0.00 H new ATOM 1418 N GLU A 90 10.848 3.139 -0.487 1.00 0.00 N ATOM 1419 CA GLU A 90 11.972 2.238 -0.841 1.00 0.00 C ATOM 1420 C GLU A 90 12.645 2.765 -2.119 1.00 0.00 C ATOM 1421 O GLU A 90 13.705 3.395 -2.073 1.00 0.00 O ATOM 1422 CB GLU A 90 11.478 0.772 -1.036 1.00 0.00 C ATOM 1423 CG GLU A 90 10.671 0.194 0.138 1.00 0.00 C ATOM 1424 CD GLU A 90 11.387 0.262 1.502 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.368 -0.479 1.709 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.968 1.058 2.374 1.00 0.00 O ATOM 0 H GLU A 90 9.981 2.926 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 90 12.695 2.227 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.863 0.729 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.344 0.133 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.725 0.731 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.431 -0.847 -0.080 1.00 0.00 H new ATOM 1433 N LEU A 91 11.991 2.514 -3.257 1.00 0.00 N ATOM 1434 CA LEU A 91 12.329 3.115 -4.546 1.00 0.00 C ATOM 1435 C LEU A 91 11.620 4.474 -4.615 1.00 0.00 C ATOM 1436 O LEU A 91 10.425 4.538 -4.933 1.00 0.00 O ATOM 1437 CB LEU A 91 11.862 2.180 -5.701 1.00 0.00 C ATOM 1438 CG LEU A 91 12.481 0.748 -5.709 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.805 -0.149 -6.768 1.00 0.00 C ATOM 1440 CD2 LEU A 91 14.014 0.798 -5.917 1.00 0.00 C ATOM 0 H LEU A 91 11.197 1.875 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 91 13.406 3.251 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.777 2.086 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.096 2.662 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 91 12.294 0.305 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.259 -1.140 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.741 -0.233 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.938 0.291 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.414 -0.216 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.236 1.276 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.472 1.369 -5.109 1.00 0.00 H new ATOM 1452 N GLU A 92 12.341 5.540 -4.234 1.00 0.00 N ATOM 1453 CA GLU A 92 11.790 6.906 -4.179 1.00 0.00 C ATOM 1454 C GLU A 92 11.303 7.384 -5.569 1.00 0.00 C ATOM 1455 O GLU A 92 12.032 7.274 -6.562 1.00 0.00 O ATOM 1456 CB GLU A 92 12.853 7.892 -3.623 1.00 0.00 C ATOM 1457 CG GLU A 92 14.198 7.883 -4.388 1.00 0.00 C ATOM 1458 CD GLU A 92 15.039 9.143 -4.155 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.785 10.159 -4.830 1.00 0.00 O ATOM 1460 OE2 GLU A 92 15.949 9.129 -3.304 1.00 0.00 O ATOM 0 H GLU A 92 13.321 5.481 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 92 10.929 6.886 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.442 8.901 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.043 7.650 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.774 7.009 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.000 7.779 -5.455 1.00 0.00 H new ATOM 1467 N HIS A 93 10.056 7.875 -5.638 1.00 0.00 N ATOM 1468 CA HIS A 93 9.546 8.571 -6.836 1.00 0.00 C ATOM 1469 C HIS A 93 10.123 10.006 -6.862 1.00 0.00 C ATOM 1470 O HIS A 93 10.315 10.601 -7.927 1.00 0.00 O ATOM 1471 CB HIS A 93 7.996 8.569 -6.842 1.00 0.00 C ATOM 1472 CG HIS A 93 7.374 9.008 -8.151 1.00 0.00 C ATOM 1473 ND1 HIS A 93 7.152 8.144 -9.203 1.00 0.00 N ATOM 1474 CD2 HIS A 93 6.931 10.217 -8.573 1.00 0.00 C ATOM 1475 CE1 HIS A 93 6.609 8.801 -10.206 1.00 0.00 C ATOM 1476 NE2 HIS A 93 6.463 10.061 -9.850 1.00 0.00 N ATOM 0 H HIS A 93 9.379 7.804 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 93 9.867 8.052 -7.739 1.00 0.00 H new ATOM 0 HB2 HIS A 93 7.645 7.564 -6.606 1.00 0.00 H new ATOM 0 HB3 HIS A 93 7.641 9.225 -6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.945 11.136 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.330 8.378 -11.160 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.066 10.800 -10.431 1.00 0.00 H new ATOM 1485 N HIS A 94 10.377 10.533 -5.646 1.00 0.00 N ATOM 1486 CA HIS A 94 11.109 11.789 -5.404 1.00 0.00 C ATOM 1487 C HIS A 94 11.438 11.857 -3.900 1.00 0.00 C ATOM 1488 O HIS A 94 10.566 11.582 -3.068 1.00 0.00 O ATOM 1489 CB HIS A 94 10.301 13.045 -5.858 1.00 0.00 C ATOM 1490 CG HIS A 94 9.032 13.298 -5.076 1.00 0.00 C ATOM 1491 ND1 HIS A 94 8.863 14.386 -4.253 1.00 0.00 N ATOM 1492 CD2 HIS A 94 7.885 12.582 -4.980 1.00 0.00 C ATOM 1493 CE1 HIS A 94 7.679 14.327 -3.685 1.00 0.00 C ATOM 1494 NE2 HIS A 94 7.066 13.244 -4.110 1.00 0.00 N ATOM 0 H HIS A 94 10.069 10.083 -4.784 1.00 0.00 H new ATOM 0 HA HIS A 94 12.023 11.793 -5.998 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.943 13.922 -5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.046 12.934 -6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 94 7.660 11.660 -5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 94 7.277 15.047 -2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.130 12.946 -3.834 1.00 0.00 H new ATOM 1503 N HIS A 95 12.692 12.189 -3.563 1.00 0.00 N ATOM 1504 CA HIS A 95 13.164 12.280 -2.159 1.00 0.00 C ATOM 1505 C HIS A 95 14.572 12.902 -2.122 1.00 0.00 C ATOM 1506 O HIS A 95 14.933 13.615 -1.174 1.00 0.00 O ATOM 1507 CB HIS A 95 13.167 10.881 -1.476 1.00 0.00 C ATOM 1508 CG HIS A 95 13.485 10.901 -0.007 1.00 0.00 C ATOM 1509 ND1 HIS A 95 14.722 10.587 0.494 1.00 0.00 N ATOM 1510 CD2 HIS A 95 12.717 11.205 1.067 1.00 0.00 C ATOM 1511 CE1 HIS A 95 14.710 10.701 1.802 1.00 0.00 C ATOM 1512 NE2 HIS A 95 13.508 11.071 2.176 1.00 0.00 N ATOM 0 H HIS A 95 13.414 12.404 -4.251 1.00 0.00 H new ATOM 0 HA HIS A 95 12.477 12.919 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 95 12.189 10.421 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 95 13.893 10.246 -1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.678 11.498 1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 95 15.548 10.521 2.459 1.00 0.00 H new ATOM 0 HE2 HIS A 95 13.211 11.233 3.138 1.00 0.00 H new ATOM 1521 N HIS A 96 15.367 12.601 -3.166 1.00 0.00 N ATOM 1522 CA HIS A 96 16.706 13.165 -3.364 1.00 0.00 C ATOM 1523 C HIS A 96 16.574 14.653 -3.749 1.00 0.00 C ATOM 1524 O HIS A 96 16.448 14.992 -4.935 1.00 0.00 O ATOM 1525 CB HIS A 96 17.473 12.357 -4.453 1.00 0.00 C ATOM 1526 CG HIS A 96 18.940 12.704 -4.595 1.00 0.00 C ATOM 1527 ND1 HIS A 96 19.952 11.892 -4.136 1.00 0.00 N ATOM 1528 CD2 HIS A 96 19.562 13.768 -5.163 1.00 0.00 C ATOM 1529 CE1 HIS A 96 21.115 12.439 -4.412 1.00 0.00 C ATOM 1530 NE2 HIS A 96 20.911 13.579 -5.033 1.00 0.00 N ATOM 0 H HIS A 96 15.090 11.951 -3.902 1.00 0.00 H new ATOM 0 HA HIS A 96 17.281 13.095 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 96 17.387 11.295 -4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 96 16.983 12.516 -5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 96 19.079 14.612 -5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 96 22.080 12.020 -4.168 1.00 0.00 H new ATOM 0 HE2 HIS A 96 21.636 14.216 -5.363 1.00 0.00 H new ATOM 1539 N HIS A 97 16.545 15.520 -2.724 1.00 0.00 N ATOM 1540 CA HIS A 97 16.430 16.981 -2.904 1.00 0.00 C ATOM 1541 C HIS A 97 17.763 17.571 -3.405 1.00 0.00 C ATOM 1542 O HIS A 97 17.772 18.508 -4.203 1.00 0.00 O ATOM 1543 CB HIS A 97 15.971 17.674 -1.592 1.00 0.00 C ATOM 1544 CG HIS A 97 16.910 17.527 -0.420 1.00 0.00 C ATOM 1545 ND1 HIS A 97 17.864 18.470 -0.097 1.00 0.00 N ATOM 1546 CD2 HIS A 97 17.032 16.547 0.510 1.00 0.00 C ATOM 1547 CE1 HIS A 97 18.531 18.072 0.964 1.00 0.00 C ATOM 1548 NE2 HIS A 97 18.049 16.912 1.352 1.00 0.00 N ATOM 0 H HIS A 97 16.600 15.231 -1.747 1.00 0.00 H new ATOM 0 HA HIS A 97 15.668 17.170 -3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 97 15.830 18.736 -1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 97 14.998 17.271 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 97 16.438 15.647 0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 97 19.340 18.608 1.438 1.00 0.00 H new ATOM 0 HE2 HIS A 97 18.379 16.371 2.151 1.00 0.00 H new ATOM 1557 N HIS A 98 18.876 16.996 -2.916 1.00 0.00 N ATOM 1558 CA HIS A 98 20.243 17.369 -3.313 1.00 0.00 C ATOM 1559 C HIS A 98 21.221 16.334 -2.718 1.00 0.00 C ATOM 1560 O HIS A 98 21.962 15.686 -3.477 1.00 0.00 O ATOM 1561 CB HIS A 98 20.620 18.807 -2.844 1.00 0.00 C ATOM 1562 CG HIS A 98 21.977 19.273 -3.323 1.00 0.00 C ATOM 1563 ND1 HIS A 98 22.153 19.960 -4.500 1.00 0.00 N ATOM 1564 CD2 HIS A 98 23.221 19.131 -2.788 1.00 0.00 C ATOM 1565 CE1 HIS A 98 23.432 20.217 -4.674 1.00 0.00 C ATOM 1566 NE2 HIS A 98 24.102 19.729 -3.648 1.00 0.00 N ATOM 1567 OXT HIS A 98 21.209 16.151 -1.484 1.00 0.00 O ATOM 0 H HIS A 98 18.849 16.248 -2.223 1.00 0.00 H new ATOM 0 HA HIS A 98 20.304 17.371 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 98 19.861 19.505 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 98 20.599 18.840 -1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 98 23.467 18.639 -1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 98 23.861 20.740 -5.516 1.00 0.00 H new ATOM 0 HE2 HIS A 98 25.112 19.788 -3.517 1.00 0.00 H new TER 1576 HIS A 98