USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 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 GLN :FLIP amide:sc= -2.09 F(o=-4.9!,f=-3.4) USER MOD Set 1.2: A 63 GLN :FLIP amide:sc= -1.28 X(o=-3.6!,f=-3.4) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc=-0.000244 USER MOD Set 2.2: A 82 GLN : amide:sc= 0 X(o=-0.00024,f=0.074) USER MOD Single : A 4 GLN : amide:sc= -3.83! C(o=-3.8!,f=-7.3!) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.384 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0129 (180deg=-0.297) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.273 F(o=-2.1,f=-0.27) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.38 K(o=-2.4,f=-8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= 0.113 (180deg=0.00126) USER MOD Single : A 34 SER OG : rot 32:sc= 0.295 USER MOD Single : A 36 SER OG : rot 80:sc= -1.97! USER MOD Single : A 37 GLN : amide:sc= -0.391 K(o=-0.39,f=-0.9) USER MOD Single : A 45 THR OG1 : rot -160:sc= 0.015 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0139 (180deg=-0.259) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 24:sc= -1.37 USER MOD Single : A 67 TYR OH : rot -15:sc= -0.187 USER MOD Single : A 71 SER OG : rot 180:sc= -0.153 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.8!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.613 F(o=-3.1!,f=-0.61) USER MOD Single : A 87 LYS NZ :NH3+ -134:sc= 0.455 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0145 F(o=-1.3!,f=-0.014) USER MOD Single : A 89 SER OG : rot 50:sc= -0.553 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= -0.813 (180deg=-0.849) USER MOD Single : A 95 SER OG : rot -32:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.053 4.988 -8.769 1.00 0.00 N ATOM 36 CA PRO A 3 -10.952 4.185 -7.516 1.00 0.00 C ATOM 37 C PRO A 3 -11.109 5.053 -6.261 1.00 0.00 C ATOM 38 O PRO A 3 -10.772 6.222 -6.249 1.00 0.00 O ATOM 39 CB PRO A 3 -9.555 3.551 -7.598 1.00 0.00 C ATOM 40 CG PRO A 3 -8.767 4.475 -8.471 1.00 0.00 C ATOM 41 CD PRO A 3 -9.763 5.060 -9.478 1.00 0.00 C ATOM 0 HA PRO A 3 -11.746 3.442 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.104 3.459 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.600 2.548 -8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.300 5.264 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.965 3.941 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.508 6.086 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.782 4.485 -10.404 1.00 0.00 H new ATOM 49 N GLN A 4 -11.624 4.486 -5.209 1.00 0.00 N ATOM 50 CA GLN A 4 -11.819 5.268 -3.958 1.00 0.00 C ATOM 51 C GLN A 4 -10.476 5.452 -3.244 1.00 0.00 C ATOM 52 O GLN A 4 -10.074 4.654 -2.414 1.00 0.00 O ATOM 53 CB GLN A 4 -12.798 4.523 -3.053 1.00 0.00 C ATOM 54 CG GLN A 4 -14.154 4.401 -3.763 1.00 0.00 C ATOM 55 CD GLN A 4 -14.098 3.271 -4.797 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.716 3.488 -5.932 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.463 2.068 -4.450 1.00 0.00 N ATOM 0 H GLN A 4 -11.920 3.511 -5.161 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.223 6.252 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.409 3.533 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.915 5.055 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.940 4.201 -3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.405 5.342 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.783 1.887 -3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.428 1.308 -5.130 1.00 0.00 H new ATOM 66 N LEU A 5 -9.789 6.514 -3.563 1.00 0.00 N ATOM 67 CA LEU A 5 -8.473 6.786 -2.925 1.00 0.00 C ATOM 68 C LEU A 5 -8.694 7.319 -1.513 1.00 0.00 C ATOM 69 O LEU A 5 -9.647 8.026 -1.245 1.00 0.00 O ATOM 70 CB LEU A 5 -7.715 7.831 -3.745 1.00 0.00 C ATOM 71 CG LEU A 5 -7.567 7.341 -5.189 1.00 0.00 C ATOM 72 CD1 LEU A 5 -6.836 8.405 -6.014 1.00 0.00 C ATOM 73 CD2 LEU A 5 -6.771 6.024 -5.216 1.00 0.00 C ATOM 0 H LEU A 5 -10.087 7.211 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.894 5.864 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.249 8.781 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.732 8.009 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.555 7.166 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.729 8.059 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.409 9.332 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.849 8.582 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.670 5.681 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.782 6.188 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.297 5.269 -4.632 1.00 0.00 H new ATOM 85 N THR A 6 -7.814 6.981 -0.609 1.00 0.00 N ATOM 86 CA THR A 6 -7.947 7.452 0.802 1.00 0.00 C ATOM 87 C THR A 6 -6.664 8.163 1.231 1.00 0.00 C ATOM 88 O THR A 6 -5.565 7.681 1.026 1.00 0.00 O ATOM 89 CB THR A 6 -8.207 6.256 1.713 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.401 5.606 1.303 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.357 6.741 3.155 1.00 0.00 C ATOM 0 H THR A 6 -7.000 6.393 -0.789 1.00 0.00 H new ATOM 0 HA THR A 6 -8.781 8.150 0.876 1.00 0.00 H new ATOM 0 HB THR A 6 -7.373 5.558 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.829 5.188 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.543 5.888 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.442 7.244 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.194 7.437 3.220 1.00 0.00 H new ATOM 99 N LYS A 7 -6.807 9.313 1.820 1.00 0.00 N ATOM 100 CA LYS A 7 -5.620 10.088 2.267 1.00 0.00 C ATOM 101 C LYS A 7 -5.032 9.475 3.540 1.00 0.00 C ATOM 102 O LYS A 7 -5.729 8.900 4.356 1.00 0.00 O ATOM 103 CB LYS A 7 -6.042 11.532 2.538 1.00 0.00 C ATOM 104 CG LYS A 7 -6.442 12.198 1.220 1.00 0.00 C ATOM 105 CD LYS A 7 -6.893 13.636 1.487 1.00 0.00 C ATOM 106 CE LYS A 7 -7.347 14.279 0.174 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.172 14.457 -0.726 1.00 0.00 N ATOM 0 H LYS A 7 -7.706 9.755 2.013 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.859 10.063 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.877 11.554 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.223 12.081 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.600 12.193 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.247 11.636 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.709 13.645 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.075 14.210 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.097 13.653 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.816 15.243 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.420 15.111 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.375 14.848 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.900 13.537 -1.127 1.00 0.00 H new ATOM 121 N ILE A 8 -3.747 9.602 3.706 1.00 0.00 N ATOM 122 CA ILE A 8 -3.077 9.039 4.912 1.00 0.00 C ATOM 123 C ILE A 8 -3.610 9.738 6.169 1.00 0.00 C ATOM 124 O ILE A 8 -3.882 9.119 7.180 1.00 0.00 O ATOM 125 CB ILE A 8 -1.570 9.283 4.794 1.00 0.00 C ATOM 126 CG1 ILE A 8 -1.010 8.454 3.634 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.878 8.873 6.096 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.424 8.896 3.323 1.00 0.00 C ATOM 0 H ILE A 8 -3.125 10.076 3.052 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.278 7.970 4.984 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.388 10.341 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.026 7.395 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.637 8.577 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.194 9.048 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.276 9.464 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.059 7.815 6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.817 8.303 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.428 9.950 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.049 8.750 4.204 1.00 0.00 H new ATOM 140 N VAL A 9 -3.748 11.029 6.103 1.00 0.00 N ATOM 141 CA VAL A 9 -4.252 11.803 7.274 1.00 0.00 C ATOM 142 C VAL A 9 -5.704 11.405 7.577 1.00 0.00 C ATOM 143 O VAL A 9 -6.184 11.550 8.686 1.00 0.00 O ATOM 144 CB VAL A 9 -4.187 13.298 6.940 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.237 13.647 5.875 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.440 14.121 8.204 1.00 0.00 C ATOM 0 H VAL A 9 -3.531 11.590 5.279 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.638 11.589 8.149 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.196 13.531 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.182 14.711 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.044 13.070 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.231 13.408 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.393 15.183 7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.426 13.883 8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.681 13.885 8.950 1.00 0.00 H new ATOM 156 N ASP A 10 -6.407 10.911 6.597 1.00 0.00 N ATOM 157 CA ASP A 10 -7.827 10.511 6.820 1.00 0.00 C ATOM 158 C ASP A 10 -7.880 9.141 7.506 1.00 0.00 C ATOM 159 O ASP A 10 -8.934 8.650 7.862 1.00 0.00 O ATOM 160 CB ASP A 10 -8.543 10.437 5.469 1.00 0.00 C ATOM 161 CG ASP A 10 -10.027 10.129 5.683 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.490 10.290 6.799 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.673 9.736 4.726 1.00 0.00 O ATOM 0 H ASP A 10 -6.060 10.766 5.649 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.317 11.246 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.432 11.381 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.088 9.665 4.848 1.00 0.00 H new ATOM 168 N ILE A 11 -6.749 8.516 7.697 1.00 0.00 N ATOM 169 CA ILE A 11 -6.743 7.179 8.360 1.00 0.00 C ATOM 170 C ILE A 11 -6.716 7.358 9.879 1.00 0.00 C ATOM 171 O ILE A 11 -5.760 7.849 10.448 1.00 0.00 O ATOM 172 CB ILE A 11 -5.512 6.387 7.911 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.620 6.104 6.410 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.444 5.060 8.673 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.308 5.510 5.894 1.00 0.00 C ATOM 0 H ILE A 11 -5.833 8.871 7.424 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.644 6.633 8.079 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.612 6.966 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.441 5.413 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.848 7.025 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.567 4.500 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.375 5.258 9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.342 4.477 8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.394 5.312 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.496 6.216 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.098 4.579 6.420 1.00 0.00 H new ATOM 187 N VAL A 12 -7.766 6.955 10.534 1.00 0.00 N ATOM 188 CA VAL A 12 -7.838 7.079 12.018 1.00 0.00 C ATOM 189 C VAL A 12 -8.706 5.944 12.555 1.00 0.00 C ATOM 190 O VAL A 12 -9.148 5.964 13.686 1.00 0.00 O ATOM 191 CB VAL A 12 -8.447 8.434 12.396 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.552 9.552 11.861 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.850 8.561 11.787 1.00 0.00 C ATOM 0 H VAL A 12 -8.590 6.539 10.100 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.839 7.017 12.450 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.522 8.510 13.481 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.980 10.519 12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.558 9.463 12.298 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.480 9.473 10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.279 9.526 12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.784 8.486 10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.486 7.762 12.168 1.00 0.00 H new ATOM 203 N GLU A 13 -8.953 4.949 11.737 1.00 0.00 N ATOM 204 CA GLU A 13 -9.796 3.790 12.170 1.00 0.00 C ATOM 205 C GLU A 13 -9.041 2.490 11.891 1.00 0.00 C ATOM 206 O GLU A 13 -8.483 2.299 10.828 1.00 0.00 O ATOM 207 CB GLU A 13 -11.115 3.798 11.389 1.00 0.00 C ATOM 208 CG GLU A 13 -11.920 5.050 11.753 1.00 0.00 C ATOM 209 CD GLU A 13 -12.316 4.998 13.231 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.289 3.915 13.793 1.00 0.00 O ATOM 211 OE2 GLU A 13 -12.635 6.041 13.776 1.00 0.00 O ATOM 0 H GLU A 13 -8.604 4.890 10.780 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.009 3.867 13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.915 3.781 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.692 2.902 11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.328 5.944 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.812 5.114 11.130 1.00 0.00 H new ATOM 218 N ASN A 14 -9.016 1.601 12.844 1.00 0.00 N ATOM 219 CA ASN A 14 -8.298 0.317 12.659 1.00 0.00 C ATOM 220 C ASN A 14 -9.092 -0.599 11.726 1.00 0.00 C ATOM 221 O ASN A 14 -10.306 -0.663 11.775 1.00 0.00 O ATOM 222 CB ASN A 14 -8.145 -0.361 14.020 1.00 0.00 C ATOM 223 CG ASN A 14 -7.140 0.403 14.888 1.00 0.00 C ATOM 224 OD1 ASN A 14 -6.149 1.039 14.327 1.00 0.00 O flip ATOM 225 ND2 ASN A 14 -7.253 0.411 16.100 1.00 0.00 N flip ATOM 0 H ASN A 14 -9.468 1.714 13.751 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.319 0.508 12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.111 -0.403 14.523 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.811 -1.390 13.885 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.026 -0.085 16.543 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.574 0.914 16.672 1.00 0.00 H new ATOM 232 N GLY A 15 -8.405 -1.314 10.880 1.00 0.00 N ATOM 233 CA GLY A 15 -9.095 -2.242 9.941 1.00 0.00 C ATOM 234 C GLY A 15 -10.097 -1.477 9.072 1.00 0.00 C ATOM 235 O GLY A 15 -11.117 -1.005 9.537 1.00 0.00 O ATOM 0 H GLY A 15 -7.388 -1.295 10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.361 -2.740 9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.612 -3.020 10.503 1.00 0.00 H new ATOM 239 N GLN A 16 -9.814 -1.367 7.807 1.00 0.00 N ATOM 240 CA GLN A 16 -10.741 -0.648 6.890 1.00 0.00 C ATOM 241 C GLN A 16 -10.329 -0.921 5.445 1.00 0.00 C ATOM 242 O GLN A 16 -9.167 -0.853 5.092 1.00 0.00 O ATOM 243 CB GLN A 16 -10.695 0.858 7.162 1.00 0.00 C ATOM 244 CG GLN A 16 -11.634 1.574 6.185 1.00 0.00 C ATOM 245 CD GLN A 16 -11.755 3.048 6.570 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.671 3.431 7.273 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.860 3.896 6.145 1.00 0.00 N ATOM 0 H GLN A 16 -8.976 -1.746 7.365 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.758 -1.003 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.994 1.064 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.677 1.230 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.253 1.484 5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.617 1.103 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.092 3.574 5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.928 4.881 6.402 1.00 0.00 H new ATOM 256 N TRP A 17 -11.279 -1.237 4.608 1.00 0.00 N ATOM 257 CA TRP A 17 -10.959 -1.528 3.182 1.00 0.00 C ATOM 258 C TRP A 17 -10.991 -0.235 2.366 1.00 0.00 C ATOM 259 O TRP A 17 -11.869 0.595 2.518 1.00 0.00 O ATOM 260 CB TRP A 17 -11.983 -2.522 2.631 1.00 0.00 C ATOM 261 CG TRP A 17 -12.033 -3.714 3.533 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.854 -3.849 4.601 1.00 0.00 C ATOM 263 CD2 TRP A 17 -11.241 -4.935 3.469 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.612 -5.075 5.197 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.627 -5.781 4.535 1.00 0.00 C ATOM 266 CE3 TRP A 17 -10.232 -5.387 2.598 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -11.035 -7.031 4.730 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.635 -6.644 2.791 1.00 0.00 C ATOM 269 CH2 TRP A 17 -10.035 -7.463 3.855 1.00 0.00 C ATOM 0 H TRP A 17 -12.267 -1.306 4.852 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.960 -1.959 3.112 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.966 -2.055 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.709 -2.825 1.620 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.578 -3.120 4.933 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.102 -5.415 6.024 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.914 -4.763 1.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.348 -7.659 5.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.863 -6.981 2.115 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.571 -8.427 3.999 1.00 0.00 H new ATOM 280 N ALA A 18 -10.029 -0.061 1.503 1.00 0.00 N ATOM 281 CA ALA A 18 -9.980 1.175 0.670 1.00 0.00 C ATOM 282 C ALA A 18 -8.780 1.097 -0.278 1.00 0.00 C ATOM 283 O ALA A 18 -7.976 0.182 -0.205 1.00 0.00 O ATOM 284 CB ALA A 18 -9.847 2.401 1.578 1.00 0.00 C ATOM 0 H ALA A 18 -9.271 -0.724 1.338 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.897 1.262 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.811 3.304 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.704 2.451 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.931 2.322 2.164 1.00 0.00 H new ATOM 290 N ASN A 19 -8.659 2.048 -1.176 1.00 0.00 N ATOM 291 CA ASN A 19 -7.521 2.040 -2.150 1.00 0.00 C ATOM 292 C ASN A 19 -6.521 3.135 -1.789 1.00 0.00 C ATOM 293 O ASN A 19 -6.888 4.198 -1.320 1.00 0.00 O ATOM 294 CB ASN A 19 -8.064 2.294 -3.555 1.00 0.00 C ATOM 295 CG ASN A 19 -8.953 1.122 -3.969 1.00 0.00 C ATOM 296 OD1 ASN A 19 -9.031 0.129 -3.272 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.624 1.187 -5.084 1.00 0.00 N ATOM 0 H ASN A 19 -9.303 2.833 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.020 1.072 -2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.634 3.223 -3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.241 2.409 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.214 0.406 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.560 2.019 -5.670 1.00 0.00 H new ATOM 304 N LEU A 20 -5.253 2.881 -1.999 1.00 0.00 N ATOM 305 CA LEU A 20 -4.207 3.897 -1.664 1.00 0.00 C ATOM 306 C LEU A 20 -3.206 4.033 -2.816 1.00 0.00 C ATOM 307 O LEU A 20 -2.739 3.058 -3.373 1.00 0.00 O ATOM 308 CB LEU A 20 -3.464 3.461 -0.399 1.00 0.00 C ATOM 309 CG LEU A 20 -2.379 4.491 -0.042 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.021 5.866 0.218 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.633 4.021 1.210 1.00 0.00 C ATOM 0 H LEU A 20 -4.896 2.009 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.691 4.860 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.167 3.360 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.010 2.482 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.679 4.583 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.245 6.588 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.548 6.197 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.726 5.788 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.862 4.747 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.335 3.927 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.170 3.054 1.016 1.00 0.00 H new ATOM 323 N LYS A 21 -2.870 5.251 -3.158 1.00 0.00 N ATOM 324 CA LYS A 21 -1.892 5.503 -4.262 1.00 0.00 C ATOM 325 C LYS A 21 -0.679 6.256 -3.710 1.00 0.00 C ATOM 326 O LYS A 21 -0.811 7.261 -3.037 1.00 0.00 O ATOM 327 CB LYS A 21 -2.562 6.355 -5.333 1.00 0.00 C ATOM 328 CG LYS A 21 -1.603 6.554 -6.512 1.00 0.00 C ATOM 329 CD LYS A 21 -2.253 7.455 -7.567 1.00 0.00 C ATOM 330 CE LYS A 21 -3.312 6.676 -8.355 1.00 0.00 C ATOM 331 NZ LYS A 21 -3.708 7.458 -9.556 1.00 0.00 N ATOM 0 H LYS A 21 -3.236 6.093 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.568 4.553 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.478 5.873 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.847 7.321 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.672 7.001 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.348 5.590 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.711 8.318 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.492 7.837 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.918 5.705 -8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.183 6.487 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.427 6.931 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.100 8.375 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.875 7.616 -10.158 1.00 0.00 H new ATOM 345 N ALA A 22 0.501 5.785 -4.001 1.00 0.00 N ATOM 346 CA ALA A 22 1.723 6.484 -3.502 1.00 0.00 C ATOM 347 C ALA A 22 2.963 5.920 -4.191 1.00 0.00 C ATOM 348 O ALA A 22 2.873 5.117 -5.102 1.00 0.00 O ATOM 349 CB ALA A 22 1.858 6.286 -1.994 1.00 0.00 C ATOM 0 H ALA A 22 0.674 4.950 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 22 1.632 7.547 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.752 6.799 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.981 6.696 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.938 5.222 -1.772 1.00 0.00 H new ATOM 355 N LYS A 23 4.124 6.337 -3.750 1.00 0.00 N ATOM 356 CA LYS A 23 5.403 5.843 -4.354 1.00 0.00 C ATOM 357 C LYS A 23 6.294 5.254 -3.271 1.00 0.00 C ATOM 358 O LYS A 23 6.199 5.604 -2.113 1.00 0.00 O ATOM 359 CB LYS A 23 6.126 7.009 -5.032 1.00 0.00 C ATOM 360 CG LYS A 23 6.502 8.065 -3.982 1.00 0.00 C ATOM 361 CD LYS A 23 7.087 9.302 -4.675 1.00 0.00 C ATOM 362 CE LYS A 23 8.462 8.976 -5.270 1.00 0.00 C ATOM 363 NZ LYS A 23 9.179 10.242 -5.582 1.00 0.00 N ATOM 0 H LYS A 23 4.243 7.006 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 23 5.179 5.071 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.022 6.649 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.486 7.452 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.622 8.344 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.228 7.652 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.413 9.639 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.177 10.120 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.043 8.380 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.347 8.378 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.827 10.086 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.489 10.978 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.723 10.547 -4.750 1.00 0.00 H new ATOM 377 N VAL A 24 7.161 4.352 -3.644 1.00 0.00 N ATOM 378 CA VAL A 24 8.061 3.723 -2.635 1.00 0.00 C ATOM 379 C VAL A 24 9.329 4.560 -2.465 1.00 0.00 C ATOM 380 O VAL A 24 9.995 4.910 -3.421 1.00 0.00 O ATOM 381 CB VAL A 24 8.439 2.321 -3.102 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.429 1.700 -2.113 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.177 1.462 -3.170 1.00 0.00 C ATOM 0 H VAL A 24 7.285 4.024 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 24 7.541 3.668 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 24 8.902 2.374 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.698 0.698 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.325 2.318 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.969 1.641 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.438 0.458 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.719 1.409 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.472 1.906 -3.873 1.00 0.00 H new ATOM 393 N ILE A 25 9.669 4.872 -1.245 1.00 0.00 N ATOM 394 CA ILE A 25 10.896 5.674 -0.979 1.00 0.00 C ATOM 395 C ILE A 25 12.017 4.737 -0.526 1.00 0.00 C ATOM 396 O ILE A 25 13.083 4.699 -1.109 1.00 0.00 O ATOM 397 CB ILE A 25 10.600 6.685 0.128 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.552 7.690 -0.360 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.885 7.431 0.501 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.040 8.527 0.820 1.00 0.00 C ATOM 0 H ILE A 25 9.144 4.603 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 25 11.202 6.200 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 25 10.219 6.158 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.986 8.342 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.722 7.163 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.671 8.151 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.631 6.718 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.269 7.955 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.295 9.239 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.588 7.870 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.872 9.067 1.271 1.00 0.00 H new ATOM 412 N GLN A 26 11.784 3.971 0.511 1.00 0.00 N ATOM 413 CA GLN A 26 12.839 3.027 1.004 1.00 0.00 C ATOM 414 C GLN A 26 12.190 1.728 1.480 1.00 0.00 C ATOM 415 O GLN A 26 11.155 1.728 2.125 1.00 0.00 O ATOM 416 CB GLN A 26 13.614 3.668 2.164 1.00 0.00 C ATOM 417 CG GLN A 26 14.664 4.636 1.609 1.00 0.00 C ATOM 418 CD GLN A 26 15.799 3.838 0.966 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.333 4.265 -0.145 1.00 0.00 O flip ATOM 420 NE2 GLN A 26 16.205 2.814 1.480 1.00 0.00 N flip ATOM 0 H GLN A 26 10.911 3.957 1.038 1.00 0.00 H new ATOM 0 HA GLN A 26 13.528 2.809 0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.928 4.199 2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.097 2.896 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.210 5.301 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.054 5.265 2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.788 2.479 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.963 2.289 1.043 1.00 0.00 H new ATOM 429 N LEU A 27 12.802 0.621 1.158 1.00 0.00 N ATOM 430 CA LEU A 27 12.253 -0.703 1.571 1.00 0.00 C ATOM 431 C LEU A 27 13.393 -1.653 1.924 1.00 0.00 C ATOM 432 O LEU A 27 14.410 -1.697 1.257 1.00 0.00 O ATOM 433 CB LEU A 27 11.399 -1.297 0.440 1.00 0.00 C ATOM 434 CG LEU A 27 12.274 -1.719 -0.753 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.369 -2.241 -1.871 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.086 -0.520 -1.271 1.00 0.00 C ATOM 0 H LEU A 27 13.668 0.577 0.621 1.00 0.00 H new ATOM 0 HA LEU A 27 11.623 -0.566 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.846 -2.159 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.662 -0.563 0.113 1.00 0.00 H new ATOM 0 HG LEU A 27 12.966 -2.499 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.979 -2.543 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.801 -3.098 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.681 -1.454 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.700 -0.834 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.406 0.269 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.728 -0.144 -0.475 1.00 0.00 H new ATOM 448 N TRP A 28 13.220 -2.421 2.968 1.00 0.00 N ATOM 449 CA TRP A 28 14.272 -3.393 3.393 1.00 0.00 C ATOM 450 C TRP A 28 13.756 -4.818 3.160 1.00 0.00 C ATOM 451 O TRP A 28 12.595 -5.118 3.386 1.00 0.00 O ATOM 452 CB TRP A 28 14.579 -3.187 4.877 1.00 0.00 C ATOM 453 CG TRP A 28 15.264 -1.869 5.069 1.00 0.00 C ATOM 454 CD1 TRP A 28 16.410 -1.492 4.456 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.870 -0.753 5.920 1.00 0.00 C ATOM 456 NE1 TRP A 28 16.745 -0.217 4.879 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.826 0.283 5.780 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.786 -0.538 6.790 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.713 1.484 6.481 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.668 0.671 7.497 1.00 0.00 C ATOM 461 CH2 TRP A 28 14.629 1.680 7.341 1.00 0.00 C ATOM 0 H TRP A 28 12.384 -2.416 3.552 1.00 0.00 H new ATOM 0 HA TRP A 28 15.182 -3.237 2.814 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.657 -3.217 5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.213 -3.995 5.243 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.971 -2.088 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 28 17.571 0.292 4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.039 -1.308 6.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 16.458 2.257 6.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.832 0.824 8.164 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.532 2.608 7.885 1.00 0.00 H new ATOM 472 N GLU A 29 14.613 -5.692 2.699 1.00 0.00 N ATOM 473 CA GLU A 29 14.190 -7.099 2.435 1.00 0.00 C ATOM 474 C GLU A 29 14.126 -7.888 3.745 1.00 0.00 C ATOM 475 O GLU A 29 15.108 -8.038 4.449 1.00 0.00 O ATOM 476 CB GLU A 29 15.186 -7.759 1.473 1.00 0.00 C ATOM 477 CG GLU A 29 15.047 -7.125 0.084 1.00 0.00 C ATOM 478 CD GLU A 29 16.097 -7.711 -0.867 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.887 -8.525 -0.420 1.00 0.00 O ATOM 480 OE2 GLU A 29 16.089 -7.335 -2.029 1.00 0.00 O ATOM 0 H GLU A 29 15.592 -5.490 2.493 1.00 0.00 H new ATOM 0 HA GLU A 29 13.198 -7.095 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.204 -7.633 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.998 -8.831 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.047 -7.306 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.171 -6.044 0.154 1.00 0.00 H new ATOM 547 N SER A 34 6.305 -14.921 7.079 1.00 0.00 N ATOM 548 CA SER A 34 5.094 -14.446 6.348 1.00 0.00 C ATOM 549 C SER A 34 5.320 -13.006 5.886 1.00 0.00 C ATOM 550 O SER A 34 4.448 -12.386 5.309 1.00 0.00 O ATOM 551 CB SER A 34 3.892 -14.495 7.290 1.00 0.00 C ATOM 552 OG SER A 34 3.824 -15.781 7.893 1.00 0.00 O ATOM 0 HA SER A 34 4.908 -15.082 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.983 -13.725 8.056 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.974 -14.289 6.739 1.00 0.00 H new ATOM 0 HG SER A 34 4.730 -16.136 8.009 1.00 0.00 H new ATOM 558 N ILE A 35 6.489 -12.462 6.134 1.00 0.00 N ATOM 559 CA ILE A 35 6.774 -11.055 5.714 1.00 0.00 C ATOM 560 C ILE A 35 7.736 -11.060 4.525 1.00 0.00 C ATOM 561 O ILE A 35 8.798 -11.653 4.564 1.00 0.00 O ATOM 562 CB ILE A 35 7.400 -10.287 6.879 1.00 0.00 C ATOM 563 CG1 ILE A 35 6.453 -10.351 8.082 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.602 -8.826 6.471 1.00 0.00 C ATOM 565 CD1 ILE A 35 7.152 -9.793 9.322 1.00 0.00 C ATOM 0 H ILE A 35 7.258 -12.934 6.610 1.00 0.00 H new ATOM 0 HA ILE A 35 5.843 -10.570 5.423 1.00 0.00 H new ATOM 0 HB ILE A 35 8.362 -10.728 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.548 -9.779 7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.145 -11.381 8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.048 -8.275 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.263 -8.778 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.639 -8.383 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.474 -9.841 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.043 -10.383 9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.437 -8.756 9.143 1.00 0.00 H new ATOM 577 N SER A 36 7.356 -10.398 3.468 1.00 0.00 N ATOM 578 CA SER A 36 8.211 -10.334 2.247 1.00 0.00 C ATOM 579 C SER A 36 9.110 -9.095 2.323 1.00 0.00 C ATOM 580 O SER A 36 10.315 -9.184 2.475 1.00 0.00 O ATOM 581 CB SER A 36 7.302 -10.241 1.013 1.00 0.00 C ATOM 582 OG SER A 36 6.113 -10.974 1.256 1.00 0.00 O ATOM 0 H SER A 36 6.475 -9.890 3.397 1.00 0.00 H new ATOM 0 HA SER A 36 8.835 -11.225 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.064 -9.199 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.816 -10.637 0.137 1.00 0.00 H new ATOM 0 HG SER A 36 5.504 -10.437 1.804 1.00 0.00 H new ATOM 588 N GLN A 37 8.524 -7.932 2.207 1.00 0.00 N ATOM 589 CA GLN A 37 9.325 -6.671 2.260 1.00 0.00 C ATOM 590 C GLN A 37 8.585 -5.624 3.083 1.00 0.00 C ATOM 591 O GLN A 37 7.373 -5.645 3.197 1.00 0.00 O ATOM 592 CB GLN A 37 9.533 -6.138 0.843 1.00 0.00 C ATOM 593 CG GLN A 37 10.438 -7.098 0.072 1.00 0.00 C ATOM 594 CD GLN A 37 10.583 -6.627 -1.375 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.649 -6.111 -1.958 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.727 -6.781 -1.984 1.00 0.00 N ATOM 0 H GLN A 37 7.521 -7.800 2.077 1.00 0.00 H new ATOM 0 HA GLN A 37 10.290 -6.881 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.574 -6.037 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.982 -5.145 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.418 -7.149 0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.020 -8.104 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.511 -7.214 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.837 -6.469 -2.949 1.00 0.00 H new ATOM 605 N VAL A 38 9.310 -4.705 3.660 1.00 0.00 N ATOM 606 CA VAL A 38 8.661 -3.645 4.488 1.00 0.00 C ATOM 607 C VAL A 38 9.348 -2.303 4.241 1.00 0.00 C ATOM 608 O VAL A 38 10.556 -2.219 4.120 1.00 0.00 O ATOM 609 CB VAL A 38 8.767 -4.019 5.971 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.214 -4.383 6.313 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.320 -2.835 6.832 1.00 0.00 C ATOM 0 H VAL A 38 10.326 -4.641 3.594 1.00 0.00 H new ATOM 0 HA VAL A 38 7.610 -3.562 4.211 1.00 0.00 H new ATOM 0 HB VAL A 38 8.125 -4.877 6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.283 -4.648 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.529 -5.231 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.861 -3.530 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.396 -3.102 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.959 -1.976 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.286 -2.583 6.595 1.00 0.00 H new ATOM 621 N GLY A 39 8.579 -1.254 4.176 1.00 0.00 N ATOM 622 CA GLY A 39 9.172 0.092 3.944 1.00 0.00 C ATOM 623 C GLY A 39 8.104 1.162 4.143 1.00 0.00 C ATOM 624 O GLY A 39 7.118 0.949 4.822 1.00 0.00 O ATOM 0 H GLY A 39 7.564 -1.270 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.001 0.259 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.578 0.153 2.934 1.00 0.00 H new ATOM 628 N LEU A 40 8.297 2.316 3.551 1.00 0.00 N ATOM 629 CA LEU A 40 7.295 3.422 3.691 1.00 0.00 C ATOM 630 C LEU A 40 6.976 4.016 2.325 1.00 0.00 C ATOM 631 O LEU A 40 7.791 4.012 1.421 1.00 0.00 O ATOM 632 CB LEU A 40 7.831 4.498 4.659 1.00 0.00 C ATOM 633 CG LEU A 40 8.849 5.431 3.967 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.305 6.504 4.957 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.069 4.620 3.510 1.00 0.00 C ATOM 0 H LEU A 40 9.108 2.541 2.975 1.00 0.00 H new ATOM 0 HA LEU A 40 6.371 3.022 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.999 5.088 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.303 4.015 5.515 1.00 0.00 H new ATOM 0 HG LEU A 40 8.378 5.898 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.024 7.165 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.443 7.085 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.773 6.028 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.784 5.282 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.539 4.152 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.751 3.849 2.808 1.00 0.00 H new ATOM 647 N LEU A 41 5.777 4.522 2.171 1.00 0.00 N ATOM 648 CA LEU A 41 5.361 5.117 0.867 1.00 0.00 C ATOM 649 C LEU A 41 5.240 6.632 1.011 1.00 0.00 C ATOM 650 O LEU A 41 4.671 7.142 1.958 1.00 0.00 O ATOM 651 CB LEU A 41 4.004 4.547 0.452 1.00 0.00 C ATOM 652 CG LEU A 41 4.061 3.018 0.445 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.685 2.464 0.064 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.107 2.537 -0.572 1.00 0.00 C ATOM 0 H LEU A 41 5.064 4.548 2.900 1.00 0.00 H new ATOM 0 HA LEU A 41 6.108 4.877 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.231 4.888 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.733 4.914 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 41 4.340 2.663 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.720 1.375 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.944 2.799 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.410 2.824 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.141 1.448 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.836 2.890 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.086 2.931 -0.301 1.00 0.00 H new ATOM 666 N GLY A 42 5.778 7.348 0.064 1.00 0.00 N ATOM 667 CA GLY A 42 5.716 8.835 0.104 1.00 0.00 C ATOM 668 C GLY A 42 4.422 9.322 -0.539 1.00 0.00 C ATOM 669 O GLY A 42 3.939 8.756 -1.505 1.00 0.00 O ATOM 0 H GLY A 42 6.264 6.961 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.772 9.182 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.573 9.257 -0.421 1.00 0.00 H new ATOM 673 N ASP A 43 3.856 10.373 -0.011 1.00 0.00 N ATOM 674 CA ASP A 43 2.594 10.908 -0.586 1.00 0.00 C ATOM 675 C ASP A 43 2.484 12.409 -0.308 1.00 0.00 C ATOM 676 O ASP A 43 3.200 12.964 0.504 1.00 0.00 O ATOM 677 CB ASP A 43 1.400 10.181 0.033 1.00 0.00 C ATOM 678 CG ASP A 43 0.133 10.525 -0.754 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.259 10.926 -1.899 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.942 10.382 -0.194 1.00 0.00 O ATOM 0 H ASP A 43 4.216 10.884 0.795 1.00 0.00 H new ATOM 0 HA ASP A 43 2.598 10.747 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.569 9.104 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.284 10.473 1.077 1.00 0.00 H new ATOM 685 N GLU A 44 1.589 13.061 -0.993 1.00 0.00 N ATOM 686 CA GLU A 44 1.398 14.531 -0.813 1.00 0.00 C ATOM 687 C GLU A 44 0.914 14.848 0.607 1.00 0.00 C ATOM 688 O GLU A 44 0.995 15.974 1.061 1.00 0.00 O ATOM 689 CB GLU A 44 0.347 15.010 -1.817 1.00 0.00 C ATOM 690 CG GLU A 44 0.877 14.841 -3.243 1.00 0.00 C ATOM 691 CD GLU A 44 2.064 15.781 -3.464 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.170 16.749 -2.730 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.849 15.512 -4.358 1.00 0.00 O ATOM 0 H GLU A 44 0.970 12.633 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 44 2.350 15.037 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.574 14.441 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.104 16.056 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.183 13.808 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.088 15.059 -3.963 1.00 0.00 H new ATOM 700 N THR A 45 0.402 13.876 1.315 1.00 0.00 N ATOM 701 CA THR A 45 -0.099 14.139 2.702 1.00 0.00 C ATOM 702 C THR A 45 0.958 13.725 3.727 1.00 0.00 C ATOM 703 O THR A 45 0.811 13.962 4.910 1.00 0.00 O ATOM 704 CB THR A 45 -1.382 13.341 2.933 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.191 12.005 2.490 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.524 13.983 2.144 1.00 0.00 C ATOM 0 H THR A 45 0.308 12.912 0.996 1.00 0.00 H new ATOM 0 HA THR A 45 -0.304 15.203 2.817 1.00 0.00 H new ATOM 0 HB THR A 45 -1.628 13.340 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.062 11.584 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.441 13.417 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.667 15.010 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.279 13.981 1.082 1.00 0.00 H new ATOM 714 N GLY A 46 2.032 13.122 3.288 1.00 0.00 N ATOM 715 CA GLY A 46 3.101 12.707 4.249 1.00 0.00 C ATOM 716 C GLY A 46 3.656 11.340 3.862 1.00 0.00 C ATOM 717 O GLY A 46 4.027 11.097 2.729 1.00 0.00 O ATOM 0 H GLY A 46 2.216 12.899 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.903 13.445 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.696 12.670 5.260 1.00 0.00 H new ATOM 721 N ILE A 47 3.721 10.445 4.809 1.00 0.00 N ATOM 722 CA ILE A 47 4.260 9.082 4.526 1.00 0.00 C ATOM 723 C ILE A 47 3.511 8.048 5.356 1.00 0.00 C ATOM 724 O ILE A 47 2.915 8.355 6.373 1.00 0.00 O ATOM 725 CB ILE A 47 5.757 9.018 4.874 1.00 0.00 C ATOM 726 CG1 ILE A 47 5.975 9.093 6.401 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.489 10.178 4.202 1.00 0.00 C ATOM 728 CD1 ILE A 47 5.310 10.342 6.994 1.00 0.00 C ATOM 0 H ILE A 47 3.423 10.599 5.772 1.00 0.00 H new ATOM 0 HA ILE A 47 4.127 8.870 3.465 1.00 0.00 H new ATOM 0 HB ILE A 47 6.151 8.068 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.566 8.200 6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.043 9.108 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.549 10.131 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.365 10.109 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.075 11.123 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.480 10.368 8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.738 11.234 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.238 10.312 6.796 1.00 0.00 H new ATOM 740 N ILE A 48 3.554 6.818 4.933 1.00 0.00 N ATOM 741 CA ILE A 48 2.868 5.740 5.689 1.00 0.00 C ATOM 742 C ILE A 48 3.642 4.435 5.510 1.00 0.00 C ATOM 743 O ILE A 48 4.244 4.190 4.481 1.00 0.00 O ATOM 744 CB ILE A 48 1.439 5.575 5.178 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.688 4.567 6.060 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.467 5.070 3.736 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.525 5.114 7.489 1.00 0.00 C ATOM 0 H ILE A 48 4.039 6.512 4.089 1.00 0.00 H new ATOM 0 HA ILE A 48 2.832 6.000 6.747 1.00 0.00 H new ATOM 0 HB ILE A 48 0.929 6.538 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.292 4.359 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.232 3.623 6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.446 4.952 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.995 5.788 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.979 4.109 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.009 4.386 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.508 5.298 7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.039 6.046 7.460 1.00 0.00 H new ATOM 759 N LYS A 49 3.631 3.600 6.509 1.00 0.00 N ATOM 760 CA LYS A 49 4.367 2.308 6.419 1.00 0.00 C ATOM 761 C LYS A 49 3.505 1.252 5.739 1.00 0.00 C ATOM 762 O LYS A 49 2.288 1.304 5.769 1.00 0.00 O ATOM 763 CB LYS A 49 4.743 1.840 7.817 1.00 0.00 C ATOM 764 CG LYS A 49 5.748 2.824 8.411 1.00 0.00 C ATOM 765 CD LYS A 49 6.182 2.336 9.787 1.00 0.00 C ATOM 766 CE LYS A 49 7.093 3.375 10.439 1.00 0.00 C ATOM 767 NZ LYS A 49 8.366 3.471 9.670 1.00 0.00 N ATOM 0 H LYS A 49 3.141 3.757 7.390 1.00 0.00 H new ATOM 0 HA LYS A 49 5.270 2.456 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.855 1.781 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.173 0.839 7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.614 2.916 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.301 3.815 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.308 2.161 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.706 1.384 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.597 4.345 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.300 3.096 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.072 3.989 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.720 2.515 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.195 3.976 8.777 1.00 0.00 H new ATOM 781 N PHE A 50 4.130 0.287 5.119 1.00 0.00 N ATOM 782 CA PHE A 50 3.355 -0.783 4.436 1.00 0.00 C ATOM 783 C PHE A 50 4.144 -2.090 4.481 1.00 0.00 C ATOM 784 O PHE A 50 5.365 -2.098 4.551 1.00 0.00 O ATOM 785 CB PHE A 50 3.083 -0.385 2.982 1.00 0.00 C ATOM 786 CG PHE A 50 4.349 -0.469 2.149 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.372 0.471 2.320 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.490 -1.484 1.192 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.532 0.398 1.536 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.648 -1.554 0.409 1.00 0.00 C ATOM 791 CZ PHE A 50 6.668 -0.614 0.580 1.00 0.00 C ATOM 0 H PHE A 50 5.144 0.195 5.057 1.00 0.00 H new ATOM 0 HA PHE A 50 2.402 -0.920 4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.321 -1.039 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.687 0.630 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.268 1.254 3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.704 -2.213 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.321 1.123 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.754 -2.336 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.561 -0.669 -0.026 1.00 0.00 H new ATOM 801 N THR A 51 3.446 -3.194 4.443 1.00 0.00 N ATOM 802 CA THR A 51 4.116 -4.527 4.480 1.00 0.00 C ATOM 803 C THR A 51 3.519 -5.416 3.393 1.00 0.00 C ATOM 804 O THR A 51 2.314 -5.530 3.255 1.00 0.00 O ATOM 805 CB THR A 51 3.901 -5.168 5.851 1.00 0.00 C ATOM 806 OG1 THR A 51 4.477 -4.339 6.849 1.00 0.00 O ATOM 807 CG2 THR A 51 4.567 -6.546 5.887 1.00 0.00 C ATOM 0 H THR A 51 2.428 -3.229 4.387 1.00 0.00 H new ATOM 0 HA THR A 51 5.185 -4.408 4.306 1.00 0.00 H new ATOM 0 HB THR A 51 2.833 -5.280 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.340 -4.745 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.412 -7.000 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.128 -7.182 5.118 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.636 -6.438 5.703 1.00 0.00 H new ATOM 815 N ILE A 52 4.354 -6.045 2.615 1.00 0.00 N ATOM 816 CA ILE A 52 3.855 -6.927 1.521 1.00 0.00 C ATOM 817 C ILE A 52 3.925 -8.386 1.952 1.00 0.00 C ATOM 818 O ILE A 52 4.964 -8.887 2.341 1.00 0.00 O ATOM 819 CB ILE A 52 4.718 -6.730 0.281 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.609 -5.276 -0.183 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.235 -7.661 -0.831 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.664 -4.991 -1.255 1.00 0.00 C ATOM 0 H ILE A 52 5.370 -5.986 2.690 1.00 0.00 H new ATOM 0 HA ILE A 52 2.820 -6.668 1.299 1.00 0.00 H new ATOM 0 HB ILE A 52 5.757 -6.961 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.612 -5.086 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.747 -4.604 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.853 -7.520 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.310 -8.696 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.197 -7.432 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.581 -3.954 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.658 -5.163 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.505 -5.653 -2.107 1.00 0.00 H new ATOM 834 N TRP A 53 2.821 -9.074 1.872 1.00 0.00 N ATOM 835 CA TRP A 53 2.801 -10.510 2.261 1.00 0.00 C ATOM 836 C TRP A 53 3.027 -11.366 1.013 1.00 0.00 C ATOM 837 O TRP A 53 2.272 -11.314 0.061 1.00 0.00 O ATOM 838 CB TRP A 53 1.443 -10.837 2.878 1.00 0.00 C ATOM 839 CG TRP A 53 1.181 -9.894 4.011 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.724 -8.625 3.882 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.356 -10.119 5.438 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.613 -8.059 5.139 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.993 -8.940 6.132 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.798 -11.221 6.190 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.060 -8.861 7.523 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.865 -11.145 7.590 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.501 -9.967 8.255 1.00 0.00 C ATOM 0 H TRP A 53 1.927 -8.701 1.552 1.00 0.00 H new ATOM 0 HA TRP A 53 3.587 -10.717 2.987 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.658 -10.750 2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.430 -11.867 3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.485 -8.135 2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.290 -7.107 5.311 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.088 -12.132 5.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.773 -7.952 8.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.199 -12.000 8.158 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.561 -9.913 9.332 1.00 0.00 H new ATOM 858 N LYS A 54 4.064 -12.150 1.017 1.00 0.00 N ATOM 859 CA LYS A 54 4.360 -13.019 -0.155 1.00 0.00 C ATOM 860 C LYS A 54 3.302 -14.122 -0.235 1.00 0.00 C ATOM 861 O LYS A 54 3.264 -14.907 -1.164 1.00 0.00 O ATOM 862 CB LYS A 54 5.756 -13.628 0.000 1.00 0.00 C ATOM 863 CG LYS A 54 5.888 -14.295 1.375 1.00 0.00 C ATOM 864 CD LYS A 54 7.331 -14.781 1.583 1.00 0.00 C ATOM 865 CE LYS A 54 7.615 -16.001 0.698 1.00 0.00 C ATOM 866 NZ LYS A 54 8.856 -16.678 1.169 1.00 0.00 N ATOM 0 H LYS A 54 4.727 -12.228 1.789 1.00 0.00 H new ATOM 0 HA LYS A 54 4.336 -12.432 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.931 -14.361 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.514 -12.853 -0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.616 -13.589 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.198 -15.135 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.030 -13.979 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.488 -15.039 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.774 -16.694 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.729 -15.691 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.049 -17.505 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.656 -16.015 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.731 -16.986 2.154 1.00 0.00 H new ATOM 919 N LEU A 58 2.284 -11.437 -4.855 1.00 0.00 N ATOM 920 CA LEU A 58 2.042 -10.270 -5.755 1.00 0.00 C ATOM 921 C LEU A 58 3.390 -9.754 -6.290 1.00 0.00 C ATOM 922 O LEU A 58 4.411 -9.931 -5.657 1.00 0.00 O ATOM 923 CB LEU A 58 1.337 -9.164 -4.966 1.00 0.00 C ATOM 924 CG LEU A 58 0.138 -9.756 -4.221 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.536 -8.663 -3.389 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.869 -10.325 -5.233 1.00 0.00 C ATOM 0 HA LEU A 58 1.414 -10.571 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.030 -8.709 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.006 -8.375 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 58 0.480 -10.555 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.390 -9.084 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.177 -8.262 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.876 -7.863 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.722 -10.746 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.211 -9.528 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.389 -11.105 -5.824 1.00 0.00 H new ATOM 938 N PRO A 59 3.401 -9.115 -7.441 1.00 0.00 N ATOM 939 CA PRO A 59 4.661 -8.575 -8.042 1.00 0.00 C ATOM 940 C PRO A 59 5.451 -7.687 -7.068 1.00 0.00 C ATOM 941 O PRO A 59 4.894 -6.951 -6.274 1.00 0.00 O ATOM 942 CB PRO A 59 4.171 -7.752 -9.248 1.00 0.00 C ATOM 943 CG PRO A 59 2.834 -8.320 -9.601 1.00 0.00 C ATOM 944 CD PRO A 59 2.232 -8.855 -8.304 1.00 0.00 C ATOM 0 HA PRO A 59 5.349 -9.376 -8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.094 -6.694 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.865 -7.831 -10.085 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.192 -7.556 -10.040 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.934 -9.116 -10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.556 -8.130 -7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.656 -9.764 -8.478 1.00 0.00 H new ATOM 952 N LEU A 60 6.753 -7.759 -7.131 1.00 0.00 N ATOM 953 CA LEU A 60 7.596 -6.935 -6.221 1.00 0.00 C ATOM 954 C LEU A 60 7.578 -5.477 -6.676 1.00 0.00 C ATOM 955 O LEU A 60 7.586 -5.174 -7.855 1.00 0.00 O ATOM 956 CB LEU A 60 9.035 -7.452 -6.240 1.00 0.00 C ATOM 957 CG LEU A 60 9.061 -8.935 -5.855 1.00 0.00 C ATOM 958 CD1 LEU A 60 10.504 -9.447 -5.913 1.00 0.00 C ATOM 959 CD2 LEU A 60 8.502 -9.121 -4.434 1.00 0.00 C ATOM 0 H LEU A 60 7.270 -8.356 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 60 7.197 -7.004 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.466 -7.317 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.647 -6.876 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 60 8.443 -9.499 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.527 -10.502 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.893 -9.325 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.120 -8.878 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.525 -10.178 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.110 -8.557 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.474 -8.760 -4.397 1.00 0.00 H new ATOM 971 N LEU A 61 7.548 -4.571 -5.741 1.00 0.00 N ATOM 972 CA LEU A 61 7.524 -3.124 -6.092 1.00 0.00 C ATOM 973 C LEU A 61 8.949 -2.608 -6.288 1.00 0.00 C ATOM 974 O LEU A 61 9.893 -3.083 -5.683 1.00 0.00 O ATOM 975 CB LEU A 61 6.834 -2.343 -4.974 1.00 0.00 C ATOM 976 CG LEU A 61 5.318 -2.517 -5.100 1.00 0.00 C ATOM 977 CD1 LEU A 61 4.957 -4.003 -4.982 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.617 -1.728 -3.992 1.00 0.00 C ATOM 0 H LEU A 61 7.539 -4.772 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 61 6.973 -2.988 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.173 -2.700 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.097 -1.287 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 61 4.992 -2.144 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.877 -4.123 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.452 -4.562 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.285 -4.381 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.538 -1.853 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.944 -2.097 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.869 -0.671 -4.083 1.00 0.00 H new ATOM 990 N GLU A 62 9.105 -1.641 -7.149 1.00 0.00 N ATOM 991 CA GLU A 62 10.454 -1.072 -7.431 1.00 0.00 C ATOM 992 C GLU A 62 10.655 0.233 -6.659 1.00 0.00 C ATOM 993 O GLU A 62 9.734 0.999 -6.445 1.00 0.00 O ATOM 994 CB GLU A 62 10.568 -0.799 -8.928 1.00 0.00 C ATOM 995 CG GLU A 62 10.617 -2.130 -9.679 1.00 0.00 C ATOM 996 CD GLU A 62 10.639 -1.868 -11.186 1.00 0.00 C ATOM 997 OE1 GLU A 62 10.620 -0.710 -11.567 1.00 0.00 O ATOM 998 OE2 GLU A 62 10.675 -2.833 -11.933 1.00 0.00 O ATOM 0 H GLU A 62 8.344 -1.214 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 62 11.218 -1.783 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.718 -0.207 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.466 -0.217 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.503 -2.693 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.751 -2.739 -9.418 1.00 0.00 H new ATOM 1005 N GLN A 63 11.865 0.480 -6.243 1.00 0.00 N ATOM 1006 CA GLN A 63 12.167 1.722 -5.480 1.00 0.00 C ATOM 1007 C GLN A 63 12.196 2.931 -6.418 1.00 0.00 C ATOM 1008 O GLN A 63 12.770 2.895 -7.492 1.00 0.00 O ATOM 1009 CB GLN A 63 13.527 1.577 -4.798 1.00 0.00 C ATOM 1010 CG GLN A 63 13.796 2.804 -3.922 1.00 0.00 C ATOM 1011 CD GLN A 63 15.145 2.653 -3.214 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.237 2.956 -1.948 1.00 0.00 O flip ATOM 1013 NE2 GLN A 63 16.123 2.258 -3.819 1.00 0.00 N flip ATOM 0 H GLN A 63 12.666 -0.132 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 63 11.389 1.875 -4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.546 0.672 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.312 1.474 -5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.796 3.706 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.000 2.918 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.049 2.022 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.017 2.163 -3.337 1.00 0.00 H new ATOM 1022 N GLY A 64 11.584 4.005 -6.007 1.00 0.00 N ATOM 1023 CA GLY A 64 11.566 5.237 -6.846 1.00 0.00 C ATOM 1024 C GLY A 64 10.480 5.125 -7.917 1.00 0.00 C ATOM 1025 O GLY A 64 10.495 5.838 -8.903 1.00 0.00 O ATOM 0 H GLY A 64 11.091 4.084 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.382 6.110 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.539 5.381 -7.316 1.00 0.00 H new ATOM 1029 N GLU A 65 9.540 4.230 -7.736 1.00 0.00 N ATOM 1030 CA GLU A 65 8.444 4.060 -8.747 1.00 0.00 C ATOM 1031 C GLU A 65 7.075 4.191 -8.084 1.00 0.00 C ATOM 1032 O GLU A 65 6.874 3.826 -6.934 1.00 0.00 O ATOM 1033 CB GLU A 65 8.558 2.686 -9.407 1.00 0.00 C ATOM 1034 CG GLU A 65 9.822 2.626 -10.269 1.00 0.00 C ATOM 1035 CD GLU A 65 9.701 3.607 -11.439 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.584 3.973 -11.764 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.727 3.975 -11.987 1.00 0.00 O ATOM 0 H GLU A 65 9.482 3.607 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 65 8.546 4.840 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.590 1.908 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.679 2.494 -10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.696 2.872 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.969 1.614 -10.645 1.00 0.00 H new ATOM 1044 N SER A 66 6.134 4.715 -8.823 1.00 0.00 N ATOM 1045 CA SER A 66 4.757 4.892 -8.296 1.00 0.00 C ATOM 1046 C SER A 66 3.996 3.571 -8.369 1.00 0.00 C ATOM 1047 O SER A 66 4.241 2.736 -9.224 1.00 0.00 O ATOM 1048 CB SER A 66 4.028 5.941 -9.126 1.00 0.00 C ATOM 1049 OG SER A 66 4.210 5.659 -10.508 1.00 0.00 O ATOM 0 H SER A 66 6.267 5.031 -9.784 1.00 0.00 H new ATOM 0 HA SER A 66 4.812 5.217 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.966 5.942 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.410 6.935 -8.893 1.00 0.00 H new ATOM 0 HG SER A 66 4.416 4.708 -10.623 1.00 0.00 H new ATOM 1055 N TYR A 67 3.067 3.379 -7.477 1.00 0.00 N ATOM 1056 CA TYR A 67 2.274 2.120 -7.475 1.00 0.00 C ATOM 1057 C TYR A 67 0.848 2.417 -7.033 1.00 0.00 C ATOM 1058 O TYR A 67 0.606 3.252 -6.171 1.00 0.00 O ATOM 1059 CB TYR A 67 2.907 1.121 -6.501 1.00 0.00 C ATOM 1060 CG TYR A 67 4.093 0.463 -7.158 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.887 -0.521 -8.129 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.394 0.835 -6.801 1.00 0.00 C ATOM 1063 CE1 TYR A 67 4.981 -1.135 -8.747 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.489 0.222 -7.419 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.282 -0.764 -8.392 1.00 0.00 C ATOM 1066 OH TYR A 67 7.361 -1.369 -9.001 1.00 0.00 O ATOM 0 H TYR A 67 2.821 4.045 -6.744 1.00 0.00 H new ATOM 0 HA TYR A 67 2.264 1.697 -8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.219 1.632 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.175 0.368 -6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.882 -0.807 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.552 1.594 -6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.821 -1.895 -9.498 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.494 0.509 -7.146 1.00 0.00 H new ATOM 0 HH TYR A 67 7.063 -2.180 -9.463 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.097 1.721 -7.610 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.525 1.914 -7.239 1.00 0.00 C ATOM 1078 C LEU A 68 -2.013 0.664 -6.513 1.00 0.00 C ATOM 1079 O LEU A 68 -1.998 -0.432 -7.050 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.365 2.153 -8.499 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.861 2.173 -8.137 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.119 3.176 -7.003 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.677 2.578 -9.370 1.00 0.00 C ATOM 0 H LEU A 68 0.065 1.019 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.626 2.782 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.081 3.098 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.170 1.369 -9.231 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.160 1.178 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.181 3.181 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.543 2.887 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.816 4.173 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.737 2.593 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.369 3.570 -9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.506 1.859 -10.172 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.441 0.828 -5.291 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.934 -0.328 -4.487 1.00 0.00 C ATOM 1097 C LEU A 69 -4.455 -0.277 -4.401 1.00 0.00 C ATOM 1098 O LEU A 69 -5.034 0.733 -4.043 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.350 -0.242 -3.077 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.823 -0.157 -3.162 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.241 -0.025 -1.750 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.266 -1.422 -3.834 1.00 0.00 C ATOM 0 H LEU A 69 -2.471 1.726 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.626 -1.260 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.746 0.633 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.645 -1.116 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.543 0.714 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.846 0.036 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.630 0.878 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.524 -0.894 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.820 -1.355 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.545 -2.298 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.678 -1.511 -4.839 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.104 -1.365 -4.729 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.595 -1.413 -4.673 1.00 0.00 C ATOM 1116 C ARG A 70 -7.050 -2.652 -3.903 1.00 0.00 C ATOM 1117 O ARG A 70 -6.520 -3.738 -4.072 1.00 0.00 O ATOM 1118 CB ARG A 70 -7.171 -1.456 -6.092 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.983 -0.095 -6.761 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.471 -0.155 -8.214 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.944 -0.397 -8.237 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.569 -0.576 -9.372 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.910 -0.560 -10.498 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.860 -0.770 -9.378 1.00 0.00 N ATOM 0 H ARG A 70 -4.659 -2.230 -5.036 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.955 -0.519 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.673 -2.231 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.230 -1.713 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.536 0.668 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.932 0.192 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.237 0.779 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.953 -0.950 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.467 -0.423 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.901 -0.407 -10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.403 -0.700 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.378 -0.782 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.351 -0.910 -10.261 1.00 0.00 H new ATOM 1138 N SER A 71 -8.039 -2.479 -3.065 1.00 0.00 N ATOM 1139 CA SER A 71 -8.586 -3.609 -2.254 1.00 0.00 C ATOM 1140 C SER A 71 -7.601 -3.990 -1.147 1.00 0.00 C ATOM 1141 O SER A 71 -7.240 -5.142 -0.997 1.00 0.00 O ATOM 1142 CB SER A 71 -8.858 -4.819 -3.155 1.00 0.00 C ATOM 1143 OG SER A 71 -9.331 -4.359 -4.414 1.00 0.00 O ATOM 0 H SER A 71 -8.500 -1.583 -2.905 1.00 0.00 H new ATOM 0 HA SER A 71 -9.523 -3.291 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.948 -5.404 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.595 -5.475 -2.692 1.00 0.00 H new ATOM 0 HG SER A 71 -9.506 -5.126 -4.998 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.171 -3.030 -0.359 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.211 -3.329 0.753 1.00 0.00 C ATOM 1151 C VAL A 72 -6.879 -3.094 2.102 1.00 0.00 C ATOM 1152 O VAL A 72 -7.878 -2.404 2.206 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.975 -2.436 0.636 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.193 -2.829 -0.617 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.392 -0.963 0.533 1.00 0.00 C ATOM 0 H VAL A 72 -7.445 -2.051 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.909 -4.374 0.678 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.354 -2.566 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.310 -2.197 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.886 -3.872 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.824 -2.699 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.503 -0.338 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.017 -0.823 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.952 -0.680 1.424 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.322 -3.670 3.138 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.889 -3.515 4.511 1.00 0.00 C ATOM 1167 C VAL A 73 -5.898 -2.744 5.379 1.00 0.00 C ATOM 1168 O VAL A 73 -4.696 -2.924 5.288 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.143 -4.897 5.117 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.813 -5.620 5.361 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.885 -4.735 6.444 1.00 0.00 C ATOM 0 H VAL A 73 -5.485 -4.250 3.088 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.830 -2.968 4.462 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.744 -5.487 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.007 -6.602 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.284 -5.737 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.202 -5.036 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.069 -5.717 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.280 -4.141 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.836 -4.232 6.270 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.395 -1.868 6.207 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.499 -1.057 7.076 1.00 0.00 C ATOM 1183 C VAL A 74 -5.178 -1.810 8.365 1.00 0.00 C ATOM 1184 O VAL A 74 -6.029 -2.044 9.205 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.185 0.265 7.400 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.303 1.082 8.346 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.399 1.048 6.101 1.00 0.00 C ATOM 0 H VAL A 74 -7.391 -1.678 6.319 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.563 -0.867 6.550 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.145 0.072 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.795 2.027 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.142 0.522 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.343 1.280 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.890 1.996 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.435 1.240 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.025 0.466 5.424 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.937 -2.178 8.520 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.505 -2.916 9.738 1.00 0.00 C ATOM 1199 C GLY A 75 -3.130 -1.925 10.841 1.00 0.00 C ATOM 1200 O GLY A 75 -3.157 -0.721 10.653 1.00 0.00 O ATOM 0 H GLY A 75 -3.194 -1.996 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.307 -3.570 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.652 -3.553 9.504 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.785 -2.431 11.996 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.415 -1.546 13.143 1.00 0.00 C ATOM 1206 C GLU A 76 -0.934 -1.709 13.466 1.00 0.00 C ATOM 1207 O GLU A 76 -0.443 -2.807 13.658 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.247 -1.939 14.366 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.740 -1.783 14.041 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.241 -3.018 13.283 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.426 -3.867 12.960 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.434 -3.093 13.036 1.00 0.00 O ATOM 0 H GLU A 76 -2.743 -3.430 12.197 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.611 -0.507 12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.031 -2.969 14.650 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.982 -1.311 15.217 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.310 -1.654 14.961 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.899 -0.888 13.440 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.221 -0.616 13.534 1.00 0.00 N ATOM 1220 CA TYR A 77 1.233 -0.671 13.851 1.00 0.00 C ATOM 1221 C TYR A 77 1.529 0.335 14.962 1.00 0.00 C ATOM 1222 O TYR A 77 1.903 1.466 14.719 1.00 0.00 O ATOM 1223 CB TYR A 77 2.039 -0.321 12.603 1.00 0.00 C ATOM 1224 CG TYR A 77 3.507 -0.483 12.905 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.073 -1.762 12.939 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.300 0.642 13.157 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.433 -1.918 13.222 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.661 0.486 13.441 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.228 -0.794 13.473 1.00 0.00 C ATOM 1230 OH TYR A 77 7.570 -0.947 13.753 1.00 0.00 O ATOM 0 H TYR A 77 -0.590 0.323 13.381 1.00 0.00 H new ATOM 0 HA TYR A 77 1.509 -1.673 14.180 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.751 -0.969 11.775 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.829 0.703 12.294 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.459 -2.629 12.746 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.862 1.629 13.132 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.870 -2.905 13.247 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.275 1.353 13.636 1.00 0.00 H new ATOM 0 HH TYR A 77 7.976 -0.067 13.901 1.00 0.00 H new ATOM 1240 N ASN A 78 1.360 -0.083 16.185 1.00 0.00 N ATOM 1241 CA ASN A 78 1.623 0.821 17.341 1.00 0.00 C ATOM 1242 C ASN A 78 0.739 2.071 17.258 1.00 0.00 C ATOM 1243 O ASN A 78 -0.424 2.005 16.908 1.00 0.00 O ATOM 1244 CB ASN A 78 3.097 1.239 17.333 1.00 0.00 C ATOM 1245 CG ASN A 78 3.476 1.817 18.698 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.983 1.371 19.718 1.00 0.00 O ATOM 1247 ND2 ASN A 78 4.337 2.795 18.763 1.00 0.00 N ATOM 0 H ASN A 78 1.048 -1.021 16.436 1.00 0.00 H new ATOM 0 HA ASN A 78 1.392 0.289 18.264 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.727 0.380 17.103 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.271 1.980 16.553 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.597 3.186 19.668 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.750 3.169 17.908 1.00 0.00 H new ATOM 1254 N ASP A 79 1.287 3.207 17.581 1.00 0.00 N ATOM 1255 CA ASP A 79 0.493 4.466 17.526 1.00 0.00 C ATOM 1256 C ASP A 79 0.385 4.930 16.075 1.00 0.00 C ATOM 1257 O ASP A 79 -0.300 5.887 15.764 1.00 0.00 O ATOM 1258 CB ASP A 79 1.203 5.542 18.351 1.00 0.00 C ATOM 1259 CG ASP A 79 1.124 5.193 19.837 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.377 4.289 20.174 1.00 0.00 O ATOM 1261 OD2 ASP A 79 1.813 5.831 20.614 1.00 0.00 O ATOM 0 H ASP A 79 2.255 3.319 17.882 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.505 4.292 17.929 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.245 5.621 18.042 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.742 6.513 18.171 1.00 0.00 H new ATOM 1266 N ARG A 80 1.070 4.261 15.181 1.00 0.00 N ATOM 1267 CA ARG A 80 1.031 4.656 13.738 1.00 0.00 C ATOM 1268 C ARG A 80 0.219 3.634 12.936 1.00 0.00 C ATOM 1269 O ARG A 80 0.207 2.451 13.227 1.00 0.00 O ATOM 1270 CB ARG A 80 2.459 4.728 13.191 1.00 0.00 C ATOM 1271 CG ARG A 80 2.466 5.454 11.828 1.00 0.00 C ATOM 1272 CD ARG A 80 2.634 6.966 12.035 1.00 0.00 C ATOM 1273 NE ARG A 80 4.038 7.253 12.449 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.383 8.450 12.844 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.502 9.411 12.891 1.00 0.00 N ATOM 1276 NH2 ARG A 80 5.618 8.683 13.195 1.00 0.00 N ATOM 0 H ARG A 80 1.658 3.454 15.389 1.00 0.00 H new ATOM 0 HA ARG A 80 0.557 5.633 13.646 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.101 5.255 13.896 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.866 3.723 13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.277 5.072 11.208 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.536 5.253 11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.398 7.499 11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.939 7.320 12.796 1.00 0.00 H new ATOM 0 HE ARG A 80 4.735 6.509 12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.536 9.231 12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.779 10.342 13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.308 7.933 13.160 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.893 9.615 13.504 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.474 4.097 11.931 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.313 3.186 11.102 1.00 0.00 C ATOM 1292 C PHE A 81 -0.471 2.555 9.998 1.00 0.00 C ATOM 1293 O PHE A 81 0.523 3.105 9.563 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.450 3.989 10.474 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.375 4.455 11.567 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.336 3.581 12.084 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.262 5.754 12.075 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.189 4.006 13.108 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.114 6.179 13.101 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.077 5.304 13.618 1.00 0.00 C ATOM 0 H PHE A 81 -0.495 5.076 11.647 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.718 2.396 11.734 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.052 4.843 9.927 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.993 3.376 9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.420 2.578 11.693 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.518 6.428 11.676 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.934 3.332 13.505 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.029 7.181 13.494 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.734 5.631 14.411 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.861 1.395 9.544 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.087 0.712 8.470 1.00 0.00 C ATOM 1312 C GLN A 82 -1.046 0.047 7.491 1.00 0.00 C ATOM 1313 O GLN A 82 -2.160 -0.303 7.834 1.00 0.00 O ATOM 1314 CB GLN A 82 0.823 -0.345 9.096 1.00 0.00 C ATOM 1315 CG GLN A 82 1.579 -1.088 7.992 1.00 0.00 C ATOM 1316 CD GLN A 82 2.610 -2.028 8.613 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.264 -2.924 9.361 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.872 -1.863 8.330 1.00 0.00 N ATOM 0 H GLN A 82 -1.684 0.890 9.872 1.00 0.00 H new ATOM 0 HA GLN A 82 0.519 1.444 7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.528 0.127 9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.231 -1.048 9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.879 -1.655 7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.074 -0.374 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.160 -1.112 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.571 -2.485 8.736 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.611 -0.130 6.270 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.470 -0.773 5.231 1.00 0.00 C ATOM 1329 C VAL A 83 -0.859 -2.114 4.839 1.00 0.00 C ATOM 1330 O VAL A 83 0.327 -2.224 4.580 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.571 0.149 4.015 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.152 1.489 4.461 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.183 0.371 3.403 1.00 0.00 C ATOM 0 H VAL A 83 0.315 0.147 5.945 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.472 -0.943 5.624 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.216 -0.309 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.229 2.156 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.142 1.332 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.500 1.937 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.268 1.029 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.472 0.828 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.234 -0.586 3.091 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.664 -3.143 4.821 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.159 -4.505 4.477 1.00 0.00 C ATOM 1345 C GLN A 84 -1.616 -4.895 3.071 1.00 0.00 C ATOM 1346 O GLN A 84 -2.796 -4.986 2.786 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.721 -5.506 5.487 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.135 -5.211 6.870 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.714 -6.190 7.894 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.422 -7.113 7.541 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.448 -6.021 9.160 1.00 0.00 N ATOM 0 H GLN A 84 -2.661 -3.098 5.032 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.069 -4.508 4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.808 -5.438 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.474 -6.524 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.049 -5.299 6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.364 -4.186 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.854 -5.247 9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.834 -6.663 9.852 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.681 -5.145 2.195 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.034 -5.551 0.804 1.00 0.00 C ATOM 1362 C VAL A 85 -1.052 -7.078 0.733 1.00 0.00 C ATOM 1363 O VAL A 85 -0.016 -7.725 0.704 1.00 0.00 O ATOM 1364 CB VAL A 85 0.013 -5.005 -0.166 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.497 -5.156 -1.598 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.262 -3.524 0.132 1.00 0.00 C ATOM 0 H VAL A 85 0.319 -5.085 2.385 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.012 -5.154 0.534 1.00 0.00 H new ATOM 0 HB VAL A 85 0.944 -5.560 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.248 -4.767 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.677 -6.210 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.427 -4.599 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.009 -3.134 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.668 -2.968 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.623 -3.414 1.155 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.222 -7.659 0.722 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.317 -9.144 0.674 1.00 0.00 C ATOM 1378 C ASN A 86 -3.614 -9.575 -0.011 1.00 0.00 C ATOM 1379 O ASN A 86 -4.406 -8.763 -0.450 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.292 -9.710 2.098 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.292 -8.960 2.982 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.483 -8.684 2.525 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -2.984 -8.622 4.109 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.116 -7.168 0.744 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.468 -9.526 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.537 -10.772 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.289 -9.621 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.054 -8.836 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.656 -8.125 4.694 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.821 -10.859 -0.090 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.052 -11.417 -0.723 1.00 0.00 C ATOM 1392 C LYS A 87 -5.052 -11.164 -2.236 1.00 0.00 C ATOM 1393 O LYS A 87 -4.085 -11.423 -2.926 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.306 -10.780 -0.096 1.00 0.00 C ATOM 1395 CG LYS A 87 -7.519 -11.687 -0.343 1.00 0.00 C ATOM 1396 CD LYS A 87 -8.808 -10.928 -0.020 1.00 0.00 C ATOM 1397 CE LYS A 87 -8.883 -10.655 1.482 1.00 0.00 C ATOM 1398 NZ LYS A 87 -10.267 -10.239 1.839 1.00 0.00 N ATOM 0 H LYS A 87 -3.174 -11.563 0.266 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.064 -12.493 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.158 -10.637 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.481 -9.795 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.532 -12.018 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.448 -12.581 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.836 -9.988 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.673 -11.510 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.605 -11.549 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.174 -9.874 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.230 -9.406 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.793 -10.002 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.747 -11.018 2.333 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.145 -10.669 -2.754 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.248 -10.398 -4.215 1.00 0.00 C ATOM 1414 C ASN A 88 -5.853 -8.943 -4.476 1.00 0.00 C ATOM 1415 O ASN A 88 -6.046 -8.422 -5.559 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.698 -10.624 -4.656 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.063 -12.104 -4.501 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -7.128 -13.011 -4.595 1.00 0.00 O flip ATOM 1419 ND2 ASN A 88 -9.214 -12.440 -4.291 1.00 0.00 N flip ATOM 0 H ASN A 88 -6.981 -10.438 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.587 -11.062 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.370 -10.010 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.824 -10.316 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.946 -11.734 -4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.446 -13.428 -4.189 1.00 0.00 H new ATOM 1426 N SER A 89 -5.309 -8.285 -3.480 1.00 0.00 N ATOM 1427 CA SER A 89 -4.901 -6.855 -3.634 1.00 0.00 C ATOM 1428 C SER A 89 -4.290 -6.617 -5.019 1.00 0.00 C ATOM 1429 O SER A 89 -3.220 -7.098 -5.340 1.00 0.00 O ATOM 1430 CB SER A 89 -3.883 -6.510 -2.552 1.00 0.00 C ATOM 1431 OG SER A 89 -3.433 -5.173 -2.732 1.00 0.00 O ATOM 0 H SER A 89 -5.129 -8.683 -2.558 1.00 0.00 H new ATOM 0 HA SER A 89 -5.780 -6.218 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.332 -6.624 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.039 -7.198 -2.599 1.00 0.00 H new ATOM 0 HG SER A 89 -4.206 -4.578 -2.831 1.00 0.00 H new ATOM 1437 N SER A 90 -4.979 -5.873 -5.838 1.00 0.00 N ATOM 1438 CA SER A 90 -4.471 -5.594 -7.210 1.00 0.00 C ATOM 1439 C SER A 90 -3.376 -4.530 -7.154 1.00 0.00 C ATOM 1440 O SER A 90 -3.414 -3.619 -6.347 1.00 0.00 O ATOM 1441 CB SER A 90 -5.624 -5.093 -8.080 1.00 0.00 C ATOM 1442 OG SER A 90 -6.753 -5.934 -7.888 1.00 0.00 O ATOM 0 H SER A 90 -5.877 -5.444 -5.615 1.00 0.00 H new ATOM 0 HA SER A 90 -4.057 -6.509 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.873 -4.065 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.330 -5.093 -9.130 1.00 0.00 H new ATOM 0 HG SER A 90 -7.496 -5.616 -8.442 1.00 0.00 H new ATOM 1448 N ILE A 91 -2.397 -4.639 -8.014 1.00 0.00 N ATOM 1449 CA ILE A 91 -1.285 -3.642 -8.034 1.00 0.00 C ATOM 1450 C ILE A 91 -0.972 -3.253 -9.476 1.00 0.00 C ATOM 1451 O ILE A 91 -0.817 -4.099 -10.337 1.00 0.00 O ATOM 1452 CB ILE A 91 -0.033 -4.249 -7.403 1.00 0.00 C ATOM 1453 CG1 ILE A 91 -0.300 -4.554 -5.925 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.123 -3.253 -7.521 1.00 0.00 C ATOM 1455 CD1 ILE A 91 0.869 -5.349 -5.335 1.00 0.00 C ATOM 0 H ILE A 91 -2.320 -5.382 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.590 -2.761 -7.470 1.00 0.00 H new ATOM 0 HB ILE A 91 0.226 -5.173 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.434 -3.624 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.225 -5.122 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.019 -3.681 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.311 -3.037 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.863 -2.330 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.671 -5.561 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.983 -6.286 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.786 -4.766 -5.421 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.866 -1.978 -9.741 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.547 -1.510 -11.127 1.00 0.00 C ATOM 1469 C GLU A 92 0.625 -0.528 -11.074 1.00 0.00 C ATOM 1470 O GLU A 92 0.646 0.400 -10.287 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.771 -0.826 -11.736 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.443 -0.384 -13.165 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.690 0.209 -13.819 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.643 0.470 -13.104 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.671 0.392 -15.025 1.00 0.00 O ATOM 0 H GLU A 92 -0.987 -1.234 -9.054 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.274 -2.365 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.620 -1.510 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.058 0.035 -11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.641 0.354 -13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.085 -1.234 -13.746 1.00 0.00 H new ATOM 1482 N LYS A 93 1.602 -0.735 -11.914 1.00 0.00 N ATOM 1483 CA LYS A 93 2.791 0.164 -11.936 1.00 0.00 C ATOM 1484 C LYS A 93 2.463 1.429 -12.728 1.00 0.00 C ATOM 1485 O LYS A 93 2.035 1.372 -13.866 1.00 0.00 O ATOM 1486 CB LYS A 93 3.951 -0.576 -12.598 1.00 0.00 C ATOM 1487 CG LYS A 93 5.214 0.294 -12.561 1.00 0.00 C ATOM 1488 CD LYS A 93 6.376 -0.432 -13.255 1.00 0.00 C ATOM 1489 CE LYS A 93 6.954 -1.515 -12.335 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.219 -2.039 -12.921 1.00 0.00 N ATOM 0 H LYS A 93 1.627 -1.496 -12.593 1.00 0.00 H new ATOM 0 HA LYS A 93 3.065 0.446 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.133 -1.519 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.697 -0.820 -13.630 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.023 1.247 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.480 0.518 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.029 -0.883 -14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.155 0.284 -13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.143 -1.103 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.235 -2.325 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.656 -2.711 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.012 -2.522 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.874 -1.250 -13.095 1.00 0.00 H new ATOM 1504 N LEU A 94 2.661 2.576 -12.131 1.00 0.00 N ATOM 1505 CA LEU A 94 2.360 3.862 -12.833 1.00 0.00 C ATOM 1506 C LEU A 94 3.653 4.487 -13.362 1.00 0.00 C ATOM 1507 O LEU A 94 4.636 4.626 -12.657 1.00 0.00 O ATOM 1508 CB LEU A 94 1.675 4.823 -11.848 1.00 0.00 C ATOM 1509 CG LEU A 94 0.173 4.524 -11.796 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.051 3.069 -11.371 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.498 5.463 -10.792 1.00 0.00 C ATOM 0 H LEU A 94 3.020 2.679 -11.182 1.00 0.00 H new ATOM 0 HA LEU A 94 1.697 3.670 -13.677 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.112 4.714 -10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.840 5.855 -12.158 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.261 4.678 -12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.120 2.861 -11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.425 2.402 -12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.383 2.907 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.567 5.251 -10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.063 5.311 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.344 6.497 -11.101 1.00 0.00 H new ATOM 1523 N SER A 95 3.641 4.875 -14.604 1.00 0.00 N ATOM 1524 CA SER A 95 4.835 5.512 -15.218 1.00 0.00 C ATOM 1525 C SER A 95 4.877 6.979 -14.792 1.00 0.00 C ATOM 1526 O SER A 95 5.794 7.711 -15.113 1.00 0.00 O ATOM 1527 CB SER A 95 4.716 5.423 -16.737 1.00 0.00 C ATOM 1528 OG SER A 95 5.872 5.988 -17.338 1.00 0.00 O ATOM 0 H SER A 95 2.841 4.776 -15.229 1.00 0.00 H new ATOM 0 HA SER A 95 5.746 5.008 -14.895 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.606 4.383 -17.043 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.824 5.951 -17.074 1.00 0.00 H new ATOM 0 HG SER A 95 6.207 6.720 -16.779 1.00 0.00 H new ATOM 1534 N GLU A 96 3.877 7.418 -14.068 1.00 0.00 N ATOM 1535 CA GLU A 96 3.835 8.842 -13.612 1.00 0.00 C ATOM 1536 C GLU A 96 4.248 8.915 -12.130 1.00 0.00 C ATOM 1537 O GLU A 96 3.490 8.528 -11.265 1.00 0.00 O ATOM 1538 CB GLU A 96 2.412 9.380 -13.762 1.00 0.00 C ATOM 1539 CG GLU A 96 2.092 9.525 -15.250 1.00 0.00 C ATOM 1540 CD GLU A 96 0.587 9.701 -15.439 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.053 10.196 -14.526 1.00 0.00 O ATOM 1542 OE2 GLU A 96 0.097 9.337 -16.496 1.00 0.00 O ATOM 0 H GLU A 96 3.084 6.848 -13.772 1.00 0.00 H new ATOM 0 HA GLU A 96 4.520 9.438 -14.215 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.701 8.703 -13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.318 10.343 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.623 10.382 -15.664 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.436 8.645 -15.793 1.00 0.00 H new ATOM 1549 N PRO A 97 5.437 9.390 -11.828 1.00 0.00 N ATOM 1550 CA PRO A 97 5.920 9.484 -10.424 1.00 0.00 C ATOM 1551 C PRO A 97 5.281 10.656 -9.679 1.00 0.00 C ATOM 1552 O PRO A 97 4.865 11.633 -10.273 1.00 0.00 O ATOM 1553 CB PRO A 97 7.440 9.662 -10.571 1.00 0.00 C ATOM 1554 CG PRO A 97 7.632 10.315 -11.906 1.00 0.00 C ATOM 1555 CD PRO A 97 6.440 9.899 -12.779 1.00 0.00 C ATOM 0 HA PRO A 97 5.657 8.607 -9.833 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.843 10.280 -9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.955 8.703 -10.524 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.676 11.399 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.572 9.999 -12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.053 10.744 -13.348 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.726 9.133 -13.500 1.00 0.00 H new ATOM 1563 N ILE A 98 5.198 10.566 -8.380 1.00 0.00 N ATOM 1564 CA ILE A 98 4.584 11.668 -7.584 1.00 0.00 C ATOM 1565 C ILE A 98 5.689 12.505 -6.945 1.00 0.00 C ATOM 1566 O ILE A 98 6.571 11.999 -6.276 1.00 0.00 O ATOM 1567 CB ILE A 98 3.687 11.080 -6.498 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.564 10.271 -7.155 1.00 0.00 C ATOM 1569 CG2 ILE A 98 3.084 12.218 -5.676 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.814 9.466 -6.090 1.00 0.00 C ATOM 0 H ILE A 98 5.531 9.772 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 98 3.983 12.299 -8.238 1.00 0.00 H new ATOM 0 HB ILE A 98 4.271 10.429 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.875 10.940 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.979 9.599 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.442 11.804 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.884 12.798 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.495 12.865 -6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.016 8.892 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.506 8.785 -5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.385 10.147 -5.355 1.00 0.00 H new