USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 84 SER OG : rot 180:sc= -0.105 USER MOD Set 1.2: A 85 THR OG1 : rot -170:sc=0.000806 USER MOD Set 2.1: A 69 GLN :FLIP amide:sc= -0.0117 F(o=-4.5,f=-3.8) USER MOD Set 2.2: A 71 MET CE :methyl 180:sc= -3.82! (180deg=-3.81!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= -1.22 (180deg=-4.27!) USER MOD Single : A 26 GLN : amide:sc=-0.00489 X(o=-0.0049,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 6:sc= -0.388! USER MOD Single : A 46 THR OG1 : rot -142:sc= -2.92! USER MOD Single : A 51 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 52 MET CE :methyl -162:sc= -4.05! (180deg=-5.46!) USER MOD Single : A 53 MET CE :methyl 170:sc= -3.76 (180deg=-4.1) USER MOD Single : A 54 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.031) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 114:sc= 0.202 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.873 X(o=-0.87,f=-0.48) USER MOD Single : A 72 SER OG : rot 180:sc= -0.53 USER MOD Single : A 74 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.1) USER MOD Single : A 76 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 86 CYS SG : rot 73:sc= -1.74! USER MOD Single : A 87 GLN :FLIP amide:sc= -0.528 F(o=-1.7,f=-0.53) USER MOD Single : A 88 SER OG : rot 74:sc= 1.22 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.117 F(o=-1,f=-0.12) USER MOD Single : A 96 GLN :FLIP amide:sc= -2.44! C(o=-3.4!,f=-2.4!) USER MOD Single : A 97 SER OG : rot 180:sc= -0.161 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= 0.639 F(o=-1,f=0.64) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -0.712 -5.047 -10.894 1.00 0.00 N ATOM 17 CA PHE A 18 0.365 -4.174 -10.443 1.00 0.00 C ATOM 18 C PHE A 18 -0.054 -2.716 -10.598 1.00 0.00 C ATOM 19 O PHE A 18 -0.825 -2.380 -11.497 1.00 0.00 O ATOM 20 CB PHE A 18 1.642 -4.447 -11.241 1.00 0.00 C ATOM 21 CG PHE A 18 2.630 -5.313 -10.513 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.215 -6.465 -9.863 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.973 -4.973 -10.476 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.122 -7.262 -9.189 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.884 -5.765 -9.803 1.00 0.00 C ATOM 26 CZ PHE A 18 4.459 -6.911 -9.160 1.00 0.00 C ATOM 0 HA PHE A 18 0.567 -4.376 -9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.377 -4.926 -12.184 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.116 -3.497 -11.488 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.172 -6.743 -9.883 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.312 -4.079 -10.979 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.787 -8.157 -8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.928 -5.488 -9.780 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.170 -7.532 -8.635 1.00 0.00 H new ATOM 36 N LYS A 19 0.435 -1.852 -9.713 1.00 0.00 N ATOM 37 CA LYS A 19 0.070 -0.442 -9.769 1.00 0.00 C ATOM 38 C LYS A 19 1.236 0.475 -9.402 1.00 0.00 C ATOM 39 O LYS A 19 1.686 0.489 -8.256 1.00 0.00 O ATOM 40 CB LYS A 19 -1.106 -0.176 -8.827 1.00 0.00 C ATOM 41 CG LYS A 19 -2.277 0.517 -9.499 1.00 0.00 C ATOM 42 CD LYS A 19 -3.463 0.644 -8.559 1.00 0.00 C ATOM 43 CE LYS A 19 -4.461 1.677 -9.060 1.00 0.00 C ATOM 44 NZ LYS A 19 -5.717 1.669 -8.261 1.00 0.00 N ATOM 0 H LYS A 19 1.076 -2.099 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.212 -0.219 -10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.447 -1.123 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.762 0.436 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.971 1.507 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.573 -0.044 -10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.956 -0.323 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.113 0.926 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.010 2.668 -9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.695 1.478 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.370 2.387 -8.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.161 0.731 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.498 1.884 -7.267 1.00 0.00 H new ATOM 58 N ASP A 20 1.694 1.266 -10.371 1.00 0.00 N ATOM 59 CA ASP A 20 2.776 2.215 -10.135 1.00 0.00 C ATOM 60 C ASP A 20 2.229 3.399 -9.353 1.00 0.00 C ATOM 61 O ASP A 20 1.943 4.456 -9.917 1.00 0.00 O ATOM 62 CB ASP A 20 3.375 2.690 -11.461 1.00 0.00 C ATOM 63 CG ASP A 20 3.863 1.539 -12.320 1.00 0.00 C ATOM 64 OD1 ASP A 20 3.014 0.823 -12.891 1.00 0.00 O ATOM 65 OD2 ASP A 20 5.094 1.354 -12.419 1.00 0.00 O ATOM 0 H ASP A 20 1.332 1.267 -11.325 1.00 0.00 H new ATOM 0 HA ASP A 20 3.566 1.728 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.626 3.259 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.205 3.367 -11.260 1.00 0.00 H new ATOM 70 N VAL A 21 2.058 3.199 -8.053 1.00 0.00 N ATOM 71 CA VAL A 21 1.512 4.228 -7.185 1.00 0.00 C ATOM 72 C VAL A 21 2.461 5.400 -7.026 1.00 0.00 C ATOM 73 O VAL A 21 3.599 5.241 -6.586 1.00 0.00 O ATOM 74 CB VAL A 21 1.178 3.669 -5.790 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.446 4.709 -4.954 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.354 2.397 -5.916 1.00 0.00 C ATOM 0 H VAL A 21 2.292 2.328 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 21 0.598 4.576 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 21 2.111 3.426 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.220 4.293 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.076 5.591 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.482 4.989 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.125 2.012 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.574 2.616 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.920 1.650 -6.473 1.00 0.00 H new ATOM 86 N PHE A 22 1.971 6.582 -7.363 1.00 0.00 N ATOM 87 CA PHE A 22 2.756 7.793 -7.231 1.00 0.00 C ATOM 88 C PHE A 22 2.110 8.695 -6.189 1.00 0.00 C ATOM 89 O PHE A 22 1.104 9.347 -6.462 1.00 0.00 O ATOM 90 CB PHE A 22 2.846 8.528 -8.573 1.00 0.00 C ATOM 91 CG PHE A 22 4.184 9.168 -8.849 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.190 9.181 -7.892 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.436 9.751 -10.082 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.411 9.760 -8.158 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.661 10.331 -10.352 1.00 0.00 C ATOM 96 CZ PHE A 22 6.649 10.333 -9.387 1.00 0.00 C ATOM 0 H PHE A 22 1.031 6.726 -7.731 1.00 0.00 H new ATOM 0 HA PHE A 22 3.766 7.530 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.623 7.823 -9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.076 9.299 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.013 8.731 -6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.666 9.752 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.182 9.765 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.845 10.782 -11.316 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.608 10.784 -9.596 1.00 0.00 H new ATOM 106 N ILE A 23 2.682 8.725 -4.993 1.00 0.00 N ATOM 107 CA ILE A 23 2.139 9.547 -3.925 1.00 0.00 C ATOM 108 C ILE A 23 2.937 10.827 -3.775 1.00 0.00 C ATOM 109 O ILE A 23 4.033 10.827 -3.219 1.00 0.00 O ATOM 110 CB ILE A 23 2.132 8.789 -2.586 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.469 7.424 -2.768 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.419 9.600 -1.516 1.00 0.00 C ATOM 113 CD1 ILE A 23 -0.014 7.501 -3.064 1.00 0.00 C ATOM 0 H ILE A 23 3.515 8.194 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 23 1.112 9.792 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 23 3.161 8.637 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.966 6.895 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.620 6.834 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.424 9.047 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.931 10.552 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.389 9.783 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.415 6.494 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.524 8.001 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.173 8.063 -3.984 1.00 0.00 H new ATOM 125 N GLU A 24 2.373 11.915 -4.278 1.00 0.00 N ATOM 126 CA GLU A 24 3.021 13.218 -4.218 1.00 0.00 C ATOM 127 C GLU A 24 2.584 13.989 -2.979 1.00 0.00 C ATOM 128 O GLU A 24 1.394 14.073 -2.676 1.00 0.00 O ATOM 129 CB GLU A 24 2.706 14.021 -5.482 1.00 0.00 C ATOM 130 CG GLU A 24 3.928 14.331 -6.329 1.00 0.00 C ATOM 131 CD GLU A 24 3.612 15.242 -7.499 1.00 0.00 C ATOM 132 OE1 GLU A 24 3.291 16.425 -7.260 1.00 0.00 O ATOM 133 OE2 GLU A 24 3.685 14.772 -8.653 1.00 0.00 O ATOM 0 H GLU A 24 1.461 11.921 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 24 4.098 13.062 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.988 13.465 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.226 14.957 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.689 14.799 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.352 13.399 -6.703 1.00 0.00 H new ATOM 140 N LYS A 25 3.553 14.554 -2.267 1.00 0.00 N ATOM 141 CA LYS A 25 3.262 15.322 -1.062 1.00 0.00 C ATOM 142 C LYS A 25 4.298 16.418 -0.851 1.00 0.00 C ATOM 143 O LYS A 25 5.223 16.573 -1.649 1.00 0.00 O ATOM 144 CB LYS A 25 3.210 14.403 0.163 1.00 0.00 C ATOM 145 CG LYS A 25 4.448 13.537 0.337 1.00 0.00 C ATOM 146 CD LYS A 25 4.097 12.170 0.903 1.00 0.00 C ATOM 147 CE LYS A 25 4.785 11.050 0.139 1.00 0.00 C ATOM 148 NZ LYS A 25 5.613 10.193 1.033 1.00 0.00 N ATOM 0 H LYS A 25 4.544 14.495 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 25 2.287 15.791 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.076 15.012 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.335 13.757 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.947 13.417 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.153 14.037 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.387 12.126 1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.017 12.027 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.034 10.436 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.416 11.477 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.508 9.959 0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.813 10.704 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.097 9.316 1.249 1.00 0.00 H new ATOM 162 N GLN A 26 4.137 17.177 0.226 1.00 0.00 N ATOM 163 CA GLN A 26 5.060 18.259 0.541 1.00 0.00 C ATOM 164 C GLN A 26 6.213 17.752 1.397 1.00 0.00 C ATOM 165 O GLN A 26 6.017 16.945 2.306 1.00 0.00 O ATOM 166 CB GLN A 26 4.324 19.387 1.269 1.00 0.00 C ATOM 167 CG GLN A 26 3.861 20.505 0.349 1.00 0.00 C ATOM 168 CD GLN A 26 2.694 20.094 -0.525 1.00 0.00 C ATOM 169 OE1 GLN A 26 2.819 20.005 -1.747 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.548 19.843 0.097 1.00 0.00 N ATOM 0 H GLN A 26 3.376 17.063 0.896 1.00 0.00 H new ATOM 0 HA GLN A 26 5.467 18.645 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.459 18.971 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.981 19.804 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.575 21.369 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.692 20.818 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.489 19.929 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.727 19.564 -0.440 1.00 0.00 H new ATOM 179 N LYS A 27 7.418 18.233 1.103 1.00 0.00 N ATOM 180 CA LYS A 27 8.603 17.830 1.850 1.00 0.00 C ATOM 181 C LYS A 27 8.365 17.958 3.348 1.00 0.00 C ATOM 182 O LYS A 27 7.951 19.009 3.836 1.00 0.00 O ATOM 183 CB LYS A 27 9.804 18.666 1.426 1.00 0.00 C ATOM 184 CG LYS A 27 10.461 18.165 0.154 1.00 0.00 C ATOM 185 CD LYS A 27 11.943 17.900 0.358 1.00 0.00 C ATOM 186 CE LYS A 27 12.570 17.262 -0.871 1.00 0.00 C ATOM 187 NZ LYS A 27 14.043 17.471 -0.915 1.00 0.00 N ATOM 0 H LYS A 27 7.598 18.901 0.354 1.00 0.00 H new ATOM 0 HA LYS A 27 8.811 16.783 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.487 19.699 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.539 18.668 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.969 17.250 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.328 18.901 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.453 18.836 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.081 17.246 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.355 16.193 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.117 17.682 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.432 17.021 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.249 18.490 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.479 17.048 -0.071 1.00 0.00 H new ATOM 201 N GLY A 28 8.602 16.870 4.064 1.00 0.00 N ATOM 202 CA GLY A 28 8.382 16.858 5.494 1.00 0.00 C ATOM 203 C GLY A 28 7.062 16.202 5.843 1.00 0.00 C ATOM 204 O GLY A 28 6.569 16.334 6.964 1.00 0.00 O ATOM 0 H GLY A 28 8.945 15.991 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.196 16.325 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.395 17.879 5.875 1.00 0.00 H new ATOM 208 N GLU A 29 6.486 15.493 4.872 1.00 0.00 N ATOM 209 CA GLU A 29 5.208 14.813 5.072 1.00 0.00 C ATOM 210 C GLU A 29 5.300 13.339 4.683 1.00 0.00 C ATOM 211 O GLU A 29 5.793 13.002 3.606 1.00 0.00 O ATOM 212 CB GLU A 29 4.109 15.497 4.257 1.00 0.00 C ATOM 213 CG GLU A 29 3.901 16.958 4.622 1.00 0.00 C ATOM 214 CD GLU A 29 3.131 17.133 5.915 1.00 0.00 C ATOM 215 OE1 GLU A 29 2.048 16.523 6.048 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.609 17.878 6.796 1.00 0.00 O ATOM 0 H GLU A 29 6.884 15.375 3.940 1.00 0.00 H new ATOM 0 HA GLU A 29 4.960 14.873 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.357 15.427 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.173 14.958 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.871 17.447 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.366 17.457 3.814 1.00 0.00 H new ATOM 223 N ILE A 30 4.821 12.464 5.566 1.00 0.00 N ATOM 224 CA ILE A 30 4.847 11.033 5.314 1.00 0.00 C ATOM 225 C ILE A 30 3.688 10.606 4.419 1.00 0.00 C ATOM 226 O ILE A 30 2.628 11.233 4.416 1.00 0.00 O ATOM 227 CB ILE A 30 4.797 10.236 6.630 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.449 10.431 7.318 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.937 10.652 7.549 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.758 9.134 7.681 1.00 0.00 C ATOM 0 H ILE A 30 4.411 12.726 6.462 1.00 0.00 H new ATOM 0 HA ILE A 30 5.785 10.817 4.803 1.00 0.00 H new ATOM 0 HB ILE A 30 4.915 9.177 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.595 11.020 8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.797 11.009 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.886 10.078 8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.890 10.461 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.852 11.715 7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.807 9.352 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.579 8.552 6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.390 8.563 8.362 1.00 0.00 H new ATOM 242 N LEU A 31 3.897 9.532 3.662 1.00 0.00 N ATOM 243 CA LEU A 31 2.874 9.010 2.759 1.00 0.00 C ATOM 244 C LEU A 31 1.523 8.892 3.462 1.00 0.00 C ATOM 245 O LEU A 31 0.511 9.394 2.971 1.00 0.00 O ATOM 246 CB LEU A 31 3.302 7.642 2.229 1.00 0.00 C ATOM 247 CG LEU A 31 2.850 7.324 0.803 1.00 0.00 C ATOM 248 CD1 LEU A 31 3.973 6.655 0.026 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.614 6.440 0.820 1.00 0.00 C ATOM 0 H LEU A 31 4.770 9.004 3.656 1.00 0.00 H new ATOM 0 HA LEU A 31 2.765 9.708 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.389 7.578 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.912 6.874 2.896 1.00 0.00 H new ATOM 0 HG LEU A 31 2.596 8.260 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.634 6.436 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.834 7.322 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.257 5.727 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.307 6.224 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.841 5.507 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.806 6.954 1.340 1.00 0.00 H new ATOM 261 N GLY A 32 1.513 8.230 4.612 1.00 0.00 N ATOM 262 CA GLY A 32 0.281 8.064 5.360 1.00 0.00 C ATOM 263 C GLY A 32 -0.290 6.663 5.252 1.00 0.00 C ATOM 264 O GLY A 32 -1.456 6.439 5.576 1.00 0.00 O ATOM 0 H GLY A 32 2.335 7.805 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.464 8.296 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.457 8.781 4.999 1.00 0.00 H new ATOM 268 N VAL A 33 0.529 5.716 4.805 1.00 0.00 N ATOM 269 CA VAL A 33 0.086 4.333 4.668 1.00 0.00 C ATOM 270 C VAL A 33 0.735 3.448 5.718 1.00 0.00 C ATOM 271 O VAL A 33 1.921 3.585 6.018 1.00 0.00 O ATOM 272 CB VAL A 33 0.403 3.758 3.276 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.585 4.279 2.245 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.835 4.077 2.874 1.00 0.00 C ATOM 0 H VAL A 33 1.498 5.880 4.533 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.995 4.342 4.806 1.00 0.00 H new ATOM 0 HB VAL A 33 0.303 2.674 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.345 3.861 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.595 3.983 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.524 5.366 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.037 3.661 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.973 5.158 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.522 3.641 3.599 1.00 0.00 H new ATOM 284 N VAL A 34 -0.050 2.536 6.272 1.00 0.00 N ATOM 285 CA VAL A 34 0.446 1.619 7.288 1.00 0.00 C ATOM 286 C VAL A 34 0.342 0.178 6.805 1.00 0.00 C ATOM 287 O VAL A 34 -0.725 -0.433 6.872 1.00 0.00 O ATOM 288 CB VAL A 34 -0.336 1.770 8.608 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.433 1.135 9.756 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.624 3.237 8.896 1.00 0.00 C ATOM 0 H VAL A 34 -1.034 2.411 6.035 1.00 0.00 H new ATOM 0 HA VAL A 34 1.492 1.868 7.469 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.289 1.251 8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.133 1.250 10.681 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.582 0.075 9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.401 1.624 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.177 3.322 9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.316 3.783 8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.218 3.657 8.084 1.00 0.00 H new ATOM 300 N ILE A 35 1.453 -0.364 6.313 1.00 0.00 N ATOM 301 CA ILE A 35 1.460 -1.733 5.820 1.00 0.00 C ATOM 302 C ILE A 35 1.940 -2.709 6.889 1.00 0.00 C ATOM 303 O ILE A 35 2.794 -2.380 7.712 1.00 0.00 O ATOM 304 CB ILE A 35 2.328 -1.910 4.554 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.630 -1.109 4.643 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.547 -1.501 3.315 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.500 -1.471 5.827 1.00 0.00 C ATOM 0 H ILE A 35 2.349 0.119 6.246 1.00 0.00 H new ATOM 0 HA ILE A 35 0.425 -1.954 5.558 1.00 0.00 H new ATOM 0 HB ILE A 35 2.590 -2.966 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.201 -1.261 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.388 -0.048 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.172 -1.631 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.656 -2.123 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.252 -0.455 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.402 -0.859 5.817 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.950 -1.292 6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.776 -2.524 5.768 1.00 0.00 H new ATOM 319 N VAL A 36 1.386 -3.916 6.866 1.00 0.00 N ATOM 320 CA VAL A 36 1.760 -4.950 7.823 1.00 0.00 C ATOM 321 C VAL A 36 2.237 -6.202 7.097 1.00 0.00 C ATOM 322 O VAL A 36 1.923 -6.407 5.926 1.00 0.00 O ATOM 323 CB VAL A 36 0.586 -5.318 8.754 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.468 -4.310 9.887 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.714 -5.406 7.971 1.00 0.00 C ATOM 0 H VAL A 36 0.675 -4.203 6.193 1.00 0.00 H new ATOM 0 HA VAL A 36 2.570 -4.547 8.431 1.00 0.00 H new ATOM 0 HB VAL A 36 0.786 -6.298 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.365 -4.585 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.391 -4.305 10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.294 -3.317 9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.529 -5.667 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.923 -4.444 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.623 -6.171 7.200 1.00 0.00 H new ATOM 335 N GLU A 37 3.005 -7.032 7.793 1.00 0.00 N ATOM 336 CA GLU A 37 3.531 -8.260 7.204 1.00 0.00 C ATOM 337 C GLU A 37 2.408 -9.139 6.654 1.00 0.00 C ATOM 338 O GLU A 37 1.798 -9.913 7.391 1.00 0.00 O ATOM 339 CB GLU A 37 4.346 -9.038 8.239 1.00 0.00 C ATOM 340 CG GLU A 37 5.707 -9.487 7.729 1.00 0.00 C ATOM 341 CD GLU A 37 6.041 -10.910 8.137 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.329 -11.132 9.333 1.00 0.00 O ATOM 343 OE2 GLU A 37 6.020 -11.799 7.262 1.00 0.00 O ATOM 0 H GLU A 37 3.278 -6.879 8.764 1.00 0.00 H new ATOM 0 HA GLU A 37 4.179 -7.980 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.486 -8.415 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.778 -9.914 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.727 -9.410 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.474 -8.814 8.111 1.00 0.00 H new ATOM 350 N SER A 38 2.147 -9.017 5.355 1.00 0.00 N ATOM 351 CA SER A 38 1.106 -9.807 4.705 1.00 0.00 C ATOM 352 C SER A 38 1.399 -11.296 4.843 1.00 0.00 C ATOM 353 O SER A 38 2.460 -11.767 4.434 1.00 0.00 O ATOM 354 CB SER A 38 0.995 -9.428 3.228 1.00 0.00 C ATOM 355 OG SER A 38 2.017 -10.042 2.464 1.00 0.00 O ATOM 0 H SER A 38 2.642 -8.379 4.732 1.00 0.00 H new ATOM 0 HA SER A 38 0.156 -9.593 5.195 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.020 -9.729 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.059 -8.345 3.122 1.00 0.00 H new ATOM 0 HG SER A 38 2.523 -10.661 3.031 1.00 0.00 H new ATOM 448 N PRO A 45 3.868 -12.942 0.022 1.00 0.00 N ATOM 449 CA PRO A 45 3.866 -12.207 1.292 1.00 0.00 C ATOM 450 C PRO A 45 4.923 -11.106 1.335 1.00 0.00 C ATOM 451 O PRO A 45 6.083 -11.337 0.996 1.00 0.00 O ATOM 452 CB PRO A 45 4.184 -13.290 2.322 1.00 0.00 C ATOM 453 CG PRO A 45 3.683 -14.551 1.711 1.00 0.00 C ATOM 454 CD PRO A 45 3.896 -14.404 0.230 1.00 0.00 C ATOM 0 HA PRO A 45 2.920 -11.694 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.254 -13.345 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.692 -13.088 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.223 -15.415 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.629 -14.704 1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.846 -14.836 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.114 -14.906 -0.340 1.00 0.00 H new ATOM 462 N THR A 46 4.520 -9.909 1.757 1.00 0.00 N ATOM 463 CA THR A 46 5.445 -8.783 1.846 1.00 0.00 C ATOM 464 C THR A 46 4.895 -7.666 2.735 1.00 0.00 C ATOM 465 O THR A 46 5.501 -7.323 3.751 1.00 0.00 O ATOM 466 CB THR A 46 5.763 -8.237 0.450 1.00 0.00 C ATOM 467 OG1 THR A 46 6.391 -6.971 0.540 1.00 0.00 O ATOM 468 CG2 THR A 46 4.544 -8.079 -0.433 1.00 0.00 C ATOM 0 H THR A 46 3.564 -9.695 2.041 1.00 0.00 H new ATOM 0 HA THR A 46 6.363 -9.151 2.303 1.00 0.00 H new ATOM 0 HB THR A 46 6.421 -8.979 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.068 -6.394 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.847 -7.688 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.063 -9.048 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.844 -7.387 0.034 1.00 0.00 H new ATOM 476 N VAL A 47 3.760 -7.087 2.348 1.00 0.00 N ATOM 477 CA VAL A 47 3.158 -5.999 3.120 1.00 0.00 C ATOM 478 C VAL A 47 1.678 -5.817 2.785 1.00 0.00 C ATOM 479 O VAL A 47 1.225 -6.188 1.702 1.00 0.00 O ATOM 480 CB VAL A 47 3.893 -4.663 2.881 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.909 -4.407 3.983 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.563 -4.648 1.514 1.00 0.00 C ATOM 0 H VAL A 47 3.241 -7.350 1.510 1.00 0.00 H new ATOM 0 HA VAL A 47 3.252 -6.280 4.169 1.00 0.00 H new ATOM 0 HB VAL A 47 3.155 -3.861 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.417 -3.461 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.399 -4.362 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.641 -5.215 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.074 -3.696 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.287 -5.461 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.809 -4.776 0.738 1.00 0.00 H new ATOM 492 N ILE A 48 0.936 -5.227 3.722 1.00 0.00 N ATOM 493 CA ILE A 48 -0.492 -4.972 3.535 1.00 0.00 C ATOM 494 C ILE A 48 -0.874 -3.613 4.089 1.00 0.00 C ATOM 495 O ILE A 48 -0.792 -3.398 5.295 1.00 0.00 O ATOM 496 CB ILE A 48 -1.402 -6.006 4.243 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.661 -7.295 4.598 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.616 -6.311 3.386 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.984 -7.780 5.996 1.00 0.00 C ATOM 0 H ILE A 48 1.302 -4.916 4.622 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.647 -5.033 2.458 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.726 -5.558 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.921 -8.071 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.413 -7.129 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.247 -7.039 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.182 -5.395 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.292 -6.719 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.433 -8.698 6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.699 -7.017 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.054 -7.974 6.076 1.00 0.00 H new ATOM 511 N ILE A 49 -1.328 -2.713 3.221 1.00 0.00 N ATOM 512 CA ILE A 49 -1.759 -1.392 3.661 1.00 0.00 C ATOM 513 C ILE A 49 -2.930 -1.535 4.624 1.00 0.00 C ATOM 514 O ILE A 49 -4.072 -1.231 4.283 1.00 0.00 O ATOM 515 CB ILE A 49 -2.181 -0.509 2.471 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.002 -0.292 1.525 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.735 0.830 2.950 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.417 0.157 0.141 1.00 0.00 C ATOM 0 H ILE A 49 -1.406 -2.873 2.217 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.917 -0.911 4.159 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.973 -1.027 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.333 0.453 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.436 -1.220 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.025 1.433 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.606 0.658 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.970 1.357 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.531 0.292 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.062 -0.598 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.958 1.101 0.212 1.00 0.00 H new ATOM 530 N ALA A 50 -2.638 -2.020 5.825 1.00 0.00 N ATOM 531 CA ALA A 50 -3.664 -2.224 6.831 1.00 0.00 C ATOM 532 C ALA A 50 -4.433 -0.934 7.087 1.00 0.00 C ATOM 533 O ALA A 50 -5.650 -0.947 7.272 1.00 0.00 O ATOM 534 CB ALA A 50 -3.042 -2.747 8.118 1.00 0.00 C ATOM 0 H ALA A 50 -1.697 -2.278 6.123 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.370 -2.968 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.822 -2.896 8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.542 -3.695 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.316 -2.025 8.491 1.00 0.00 H new ATOM 540 N ASN A 51 -3.709 0.181 7.089 1.00 0.00 N ATOM 541 CA ASN A 51 -4.312 1.487 7.311 1.00 0.00 C ATOM 542 C ASN A 51 -3.794 2.504 6.307 1.00 0.00 C ATOM 543 O ASN A 51 -2.796 2.272 5.625 1.00 0.00 O ATOM 544 CB ASN A 51 -4.033 1.968 8.737 1.00 0.00 C ATOM 545 CG ASN A 51 -5.227 1.781 9.647 1.00 0.00 C ATOM 546 OD1 ASN A 51 -5.733 2.738 10.233 1.00 0.00 O ATOM 547 ND2 ASN A 51 -5.683 0.542 9.770 1.00 0.00 N ATOM 0 H ASN A 51 -2.700 0.204 6.939 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.389 1.388 7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.181 1.423 9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.756 3.022 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.485 0.351 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.231 -0.220 9.265 1.00 0.00 H new ATOM 554 N MET A 52 -4.486 3.631 6.223 1.00 0.00 N ATOM 555 CA MET A 52 -4.113 4.690 5.300 1.00 0.00 C ATOM 556 C MET A 52 -4.870 5.974 5.619 1.00 0.00 C ATOM 557 O MET A 52 -6.099 5.977 5.703 1.00 0.00 O ATOM 558 CB MET A 52 -4.396 4.256 3.869 1.00 0.00 C ATOM 559 CG MET A 52 -3.817 5.196 2.825 1.00 0.00 C ATOM 560 SD MET A 52 -5.060 5.820 1.680 1.00 0.00 S ATOM 561 CE MET A 52 -6.078 4.363 1.481 1.00 0.00 C ATOM 0 H MET A 52 -5.312 3.835 6.786 1.00 0.00 H new ATOM 0 HA MET A 52 -3.046 4.885 5.409 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.988 3.257 3.713 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.474 4.186 3.725 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.337 6.037 3.326 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.042 4.675 2.264 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.688 4.465 0.584 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.441 3.484 1.388 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.726 4.251 2.350 1.00 0.00 H new ATOM 571 N MET A 53 -4.129 7.063 5.800 1.00 0.00 N ATOM 572 CA MET A 53 -4.728 8.359 6.114 1.00 0.00 C ATOM 573 C MET A 53 -5.902 8.665 5.187 1.00 0.00 C ATOM 574 O MET A 53 -5.741 8.737 3.968 1.00 0.00 O ATOM 575 CB MET A 53 -3.677 9.466 6.013 1.00 0.00 C ATOM 576 CG MET A 53 -3.547 10.298 7.278 1.00 0.00 C ATOM 577 SD MET A 53 -1.831 10.639 7.715 1.00 0.00 S ATOM 578 CE MET A 53 -1.241 8.989 8.084 1.00 0.00 C ATOM 0 H MET A 53 -3.111 7.075 5.735 1.00 0.00 H new ATOM 0 HA MET A 53 -5.105 8.316 7.136 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.711 9.018 5.782 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.931 10.122 5.181 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.077 11.241 7.144 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.030 9.775 8.103 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.157 9.007 8.198 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.697 8.638 9.010 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.509 8.316 7.269 1.00 0.00 H new ATOM 588 N HIS A 54 -7.082 8.843 5.773 1.00 0.00 N ATOM 589 CA HIS A 54 -8.284 9.140 5.001 1.00 0.00 C ATOM 590 C HIS A 54 -8.185 10.517 4.350 1.00 0.00 C ATOM 591 O HIS A 54 -8.812 11.475 4.801 1.00 0.00 O ATOM 592 CB HIS A 54 -9.522 9.074 5.898 1.00 0.00 C ATOM 593 CG HIS A 54 -10.129 7.709 5.977 1.00 0.00 C ATOM 594 ND1 HIS A 54 -10.664 7.187 7.138 1.00 0.00 N ATOM 595 CD2 HIS A 54 -10.288 6.753 5.032 1.00 0.00 C ATOM 596 CE1 HIS A 54 -11.123 5.971 6.902 1.00 0.00 C ATOM 597 NE2 HIS A 54 -10.907 5.684 5.632 1.00 0.00 N ATOM 0 H HIS A 54 -7.232 8.787 6.780 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.375 8.391 4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.252 9.401 6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.269 9.774 5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.984 6.819 3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.595 5.322 7.625 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.159 4.810 5.171 1.00 0.00 H new ATOM 606 N GLY A 55 -7.392 10.606 3.288 1.00 0.00 N ATOM 607 CA GLY A 55 -7.221 11.867 2.591 1.00 0.00 C ATOM 608 C GLY A 55 -5.763 12.263 2.445 1.00 0.00 C ATOM 609 O GLY A 55 -5.437 13.183 1.696 1.00 0.00 O ATOM 0 H GLY A 55 -6.864 9.826 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.674 11.795 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.754 12.650 3.130 1.00 0.00 H new ATOM 613 N GLY A 56 -4.884 11.572 3.165 1.00 0.00 N ATOM 614 CA GLY A 56 -3.466 11.876 3.097 1.00 0.00 C ATOM 615 C GLY A 56 -2.867 11.576 1.734 1.00 0.00 C ATOM 616 O GLY A 56 -3.591 11.263 0.789 1.00 0.00 O ATOM 0 H GLY A 56 -5.128 10.807 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.313 12.929 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.938 11.299 3.856 1.00 0.00 H new ATOM 620 N PRO A 57 -1.533 11.667 1.603 1.00 0.00 N ATOM 621 CA PRO A 57 -0.836 11.405 0.339 1.00 0.00 C ATOM 622 C PRO A 57 -1.300 10.118 -0.340 1.00 0.00 C ATOM 623 O PRO A 57 -1.574 10.104 -1.540 1.00 0.00 O ATOM 624 CB PRO A 57 0.626 11.295 0.764 1.00 0.00 C ATOM 625 CG PRO A 57 0.730 12.150 1.978 1.00 0.00 C ATOM 626 CD PRO A 57 -0.595 12.040 2.682 1.00 0.00 C ATOM 0 HA PRO A 57 -1.026 12.185 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.899 10.262 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.295 11.642 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.542 11.814 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.943 13.184 1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.569 11.286 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.879 12.982 3.152 1.00 0.00 H new ATOM 634 N ALA A 58 -1.379 9.036 0.429 1.00 0.00 N ATOM 635 CA ALA A 58 -1.804 7.750 -0.106 1.00 0.00 C ATOM 636 C ALA A 58 -3.195 7.838 -0.717 1.00 0.00 C ATOM 637 O ALA A 58 -3.416 7.401 -1.847 1.00 0.00 O ATOM 638 CB ALA A 58 -1.776 6.689 0.980 1.00 0.00 C ATOM 0 H ALA A 58 -1.154 9.026 1.424 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.105 7.470 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.096 5.734 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.762 6.594 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.449 6.977 1.787 1.00 0.00 H new ATOM 644 N GLU A 59 -4.131 8.406 0.035 1.00 0.00 N ATOM 645 CA GLU A 59 -5.498 8.552 -0.438 1.00 0.00 C ATOM 646 C GLU A 59 -5.584 9.625 -1.514 1.00 0.00 C ATOM 647 O GLU A 59 -6.479 9.607 -2.360 1.00 0.00 O ATOM 648 CB GLU A 59 -6.424 8.902 0.727 1.00 0.00 C ATOM 649 CG GLU A 59 -7.880 9.035 0.320 1.00 0.00 C ATOM 650 CD GLU A 59 -8.817 8.292 1.253 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.807 7.044 1.236 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.562 8.960 2.001 1.00 0.00 O ATOM 0 H GLU A 59 -3.966 8.772 0.973 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.815 7.603 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.338 8.132 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.093 9.838 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.153 10.090 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.006 8.655 -0.694 1.00 0.00 H new ATOM 659 N LYS A 60 -4.643 10.558 -1.471 1.00 0.00 N ATOM 660 CA LYS A 60 -4.594 11.648 -2.434 1.00 0.00 C ATOM 661 C LYS A 60 -4.423 11.115 -3.851 1.00 0.00 C ATOM 662 O LYS A 60 -5.149 11.510 -4.764 1.00 0.00 O ATOM 663 CB LYS A 60 -3.447 12.602 -2.094 1.00 0.00 C ATOM 664 CG LYS A 60 -3.858 13.748 -1.180 1.00 0.00 C ATOM 665 CD LYS A 60 -3.831 15.086 -1.904 1.00 0.00 C ATOM 666 CE LYS A 60 -3.051 16.129 -1.120 1.00 0.00 C ATOM 667 NZ LYS A 60 -3.945 16.980 -0.287 1.00 0.00 N ATOM 0 H LYS A 60 -3.899 10.581 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.538 12.190 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.645 12.038 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.041 13.013 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.861 13.564 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.188 13.786 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.382 14.959 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.851 15.436 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.322 15.632 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.491 16.759 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.375 17.678 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.624 17.474 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.461 16.383 0.390 1.00 0.00 H new ATOM 681 N SER A 61 -3.464 10.210 -4.032 1.00 0.00 N ATOM 682 CA SER A 61 -3.205 9.623 -5.337 1.00 0.00 C ATOM 683 C SER A 61 -4.457 8.943 -5.876 1.00 0.00 C ATOM 684 O SER A 61 -4.666 8.873 -7.088 1.00 0.00 O ATOM 685 CB SER A 61 -2.057 8.616 -5.248 1.00 0.00 C ATOM 686 OG SER A 61 -1.478 8.391 -6.524 1.00 0.00 O ATOM 0 H SER A 61 -2.855 9.869 -3.288 1.00 0.00 H new ATOM 0 HA SER A 61 -2.921 10.421 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.297 8.986 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.425 7.674 -4.841 1.00 0.00 H new ATOM 0 HG SER A 61 -0.557 8.725 -6.529 1.00 0.00 H new ATOM 692 N GLY A 62 -5.289 8.442 -4.968 1.00 0.00 N ATOM 693 CA GLY A 62 -6.511 7.774 -5.371 1.00 0.00 C ATOM 694 C GLY A 62 -6.253 6.394 -5.940 1.00 0.00 C ATOM 695 O GLY A 62 -7.039 5.887 -6.739 1.00 0.00 O ATOM 0 H GLY A 62 -5.138 8.487 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.177 7.691 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.025 8.381 -6.116 1.00 0.00 H new ATOM 699 N LYS A 63 -5.144 5.789 -5.529 1.00 0.00 N ATOM 700 CA LYS A 63 -4.778 4.460 -6.002 1.00 0.00 C ATOM 701 C LYS A 63 -4.742 3.467 -4.849 1.00 0.00 C ATOM 702 O LYS A 63 -5.390 2.422 -4.894 1.00 0.00 O ATOM 703 CB LYS A 63 -3.410 4.489 -6.686 1.00 0.00 C ATOM 704 CG LYS A 63 -3.108 5.795 -7.406 1.00 0.00 C ATOM 705 CD LYS A 63 -2.492 5.552 -8.775 1.00 0.00 C ATOM 706 CE LYS A 63 -3.315 6.192 -9.879 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.918 5.701 -11.227 1.00 0.00 N ATOM 0 H LYS A 63 -4.483 6.198 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.534 4.144 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.637 4.311 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.356 3.669 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.027 6.370 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.427 6.395 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.479 5.954 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.413 4.480 -8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.371 5.980 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.197 7.275 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.504 6.163 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.917 5.925 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.055 4.671 -11.276 1.00 0.00 H new ATOM 721 N LEU A 64 -3.969 3.798 -3.821 1.00 0.00 N ATOM 722 CA LEU A 64 -3.838 2.930 -2.661 1.00 0.00 C ATOM 723 C LEU A 64 -5.065 3.000 -1.772 1.00 0.00 C ATOM 724 O LEU A 64 -5.478 4.072 -1.328 1.00 0.00 O ATOM 725 CB LEU A 64 -2.589 3.289 -1.856 1.00 0.00 C ATOM 726 CG LEU A 64 -1.265 2.937 -2.534 1.00 0.00 C ATOM 727 CD1 LEU A 64 -0.105 3.110 -1.567 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.297 1.515 -3.072 1.00 0.00 C ATOM 0 H LEU A 64 -3.425 4.659 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.743 1.908 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.602 4.359 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.635 2.779 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.122 3.619 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.828 2.854 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.064 4.146 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.246 2.454 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.345 1.285 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.467 0.819 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.102 1.420 -3.801 1.00 0.00 H new ATOM 740 N ASN A 65 -5.637 1.835 -1.517 1.00 0.00 N ATOM 741 CA ASN A 65 -6.819 1.722 -0.673 1.00 0.00 C ATOM 742 C ASN A 65 -6.637 0.607 0.349 1.00 0.00 C ATOM 743 O ASN A 65 -6.579 -0.567 -0.013 1.00 0.00 O ATOM 744 CB ASN A 65 -8.058 1.451 -1.530 1.00 0.00 C ATOM 745 CG ASN A 65 -7.873 0.265 -2.456 1.00 0.00 C ATOM 746 OD1 ASN A 65 -8.461 -0.797 -2.250 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.051 0.441 -3.485 1.00 0.00 N ATOM 0 H ASN A 65 -5.300 0.946 -1.885 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.957 2.664 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.914 1.270 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.288 2.337 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.887 -0.321 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.585 1.338 -3.617 1.00 0.00 H new ATOM 754 N ILE A 66 -6.543 0.991 1.628 1.00 0.00 N ATOM 755 CA ILE A 66 -6.362 0.047 2.733 1.00 0.00 C ATOM 756 C ILE A 66 -6.625 -1.401 2.313 1.00 0.00 C ATOM 757 O ILE A 66 -7.747 -1.764 1.958 1.00 0.00 O ATOM 758 CB ILE A 66 -7.272 0.426 3.918 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.614 1.541 4.729 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.560 -0.779 4.801 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.367 1.892 5.988 1.00 0.00 C ATOM 0 H ILE A 66 -6.591 1.966 1.924 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.318 0.113 3.040 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.226 0.779 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.601 1.238 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.528 2.431 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.204 -0.479 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.059 -1.550 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.623 -1.173 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.844 2.690 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.372 2.225 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.430 1.014 6.631 1.00 0.00 H new ATOM 773 N GLY A 67 -5.576 -2.218 2.347 1.00 0.00 N ATOM 774 CA GLY A 67 -5.702 -3.611 1.961 1.00 0.00 C ATOM 775 C GLY A 67 -4.863 -3.950 0.740 1.00 0.00 C ATOM 776 O GLY A 67 -4.807 -5.105 0.319 1.00 0.00 O ATOM 0 H GLY A 67 -4.639 -1.938 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.400 -4.245 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.748 -3.835 1.753 1.00 0.00 H new ATOM 780 N ASP A 68 -4.206 -2.938 0.175 1.00 0.00 N ATOM 781 CA ASP A 68 -3.362 -3.128 -0.996 1.00 0.00 C ATOM 782 C ASP A 68 -2.054 -3.804 -0.609 1.00 0.00 C ATOM 783 O ASP A 68 -1.416 -3.420 0.371 1.00 0.00 O ATOM 784 CB ASP A 68 -3.093 -1.783 -1.667 1.00 0.00 C ATOM 785 CG ASP A 68 -4.003 -1.544 -2.856 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.406 -2.533 -3.504 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.311 -0.368 -3.142 1.00 0.00 O ATOM 0 H ASP A 68 -4.245 -1.976 0.513 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.882 -3.775 -1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.230 -0.982 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.054 -1.743 -1.993 1.00 0.00 H new ATOM 792 N GLN A 69 -1.658 -4.818 -1.374 1.00 0.00 N ATOM 793 CA GLN A 69 -0.426 -5.539 -1.087 1.00 0.00 C ATOM 794 C GLN A 69 0.757 -4.887 -1.789 1.00 0.00 C ATOM 795 O GLN A 69 1.186 -5.333 -2.854 1.00 0.00 O ATOM 796 CB GLN A 69 -0.547 -7.004 -1.510 1.00 0.00 C ATOM 797 CG GLN A 69 0.239 -7.955 -0.621 1.00 0.00 C ATOM 798 CD GLN A 69 0.784 -9.148 -1.380 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.744 -8.900 -2.263 1.00 0.00 O flip ATOM 800 NE2 GLN A 69 0.348 -10.280 -1.172 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.169 -5.155 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.256 -5.500 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.598 -7.292 -1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.199 -7.108 -2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.065 -7.415 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.404 -8.306 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.391 -10.423 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.725 -11.075 -1.688 1.00 0.00 H new ATOM 809 N ILE A 70 1.280 -3.826 -1.185 1.00 0.00 N ATOM 810 CA ILE A 70 2.415 -3.104 -1.746 1.00 0.00 C ATOM 811 C ILE A 70 3.577 -4.052 -2.035 1.00 0.00 C ATOM 812 O ILE A 70 3.787 -5.024 -1.312 1.00 0.00 O ATOM 813 CB ILE A 70 2.880 -1.981 -0.797 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.670 -1.166 -0.320 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.908 -1.085 -1.483 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.026 0.183 0.270 1.00 0.00 C ATOM 0 H ILE A 70 0.934 -3.446 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 70 2.087 -2.656 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 70 3.360 -2.430 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.993 -1.015 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.127 -1.745 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.222 -0.300 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.773 -1.681 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.463 -0.634 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.116 0.695 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.678 0.042 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.541 0.784 -0.480 1.00 0.00 H new ATOM 828 N MET A 71 4.318 -3.776 -3.105 1.00 0.00 N ATOM 829 CA MET A 71 5.442 -4.622 -3.490 1.00 0.00 C ATOM 830 C MET A 71 6.780 -3.923 -3.270 1.00 0.00 C ATOM 831 O MET A 71 7.739 -4.539 -2.807 1.00 0.00 O ATOM 832 CB MET A 71 5.311 -5.035 -4.958 1.00 0.00 C ATOM 833 CG MET A 71 6.110 -6.278 -5.316 1.00 0.00 C ATOM 834 SD MET A 71 5.074 -7.741 -5.506 1.00 0.00 S ATOM 835 CE MET A 71 4.406 -7.901 -3.853 1.00 0.00 C ATOM 0 H MET A 71 4.161 -2.976 -3.718 1.00 0.00 H new ATOM 0 HA MET A 71 5.418 -5.508 -2.855 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.260 -5.212 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.638 -4.209 -5.589 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.654 -6.100 -6.244 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.854 -6.463 -4.541 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.743 -8.765 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.222 -8.034 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.846 -7.001 -3.598 1.00 0.00 H new ATOM 845 N SER A 72 6.847 -2.640 -3.612 1.00 0.00 N ATOM 846 CA SER A 72 8.084 -1.882 -3.452 1.00 0.00 C ATOM 847 C SER A 72 7.814 -0.383 -3.428 1.00 0.00 C ATOM 848 O SER A 72 6.779 0.079 -3.906 1.00 0.00 O ATOM 849 CB SER A 72 9.054 -2.220 -4.587 1.00 0.00 C ATOM 850 OG SER A 72 8.684 -3.426 -5.234 1.00 0.00 O ATOM 0 H SER A 72 6.068 -2.107 -3.998 1.00 0.00 H new ATOM 0 HA SER A 72 8.531 -2.161 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.069 -1.405 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.065 -2.312 -4.190 1.00 0.00 H new ATOM 0 HG SER A 72 9.319 -3.618 -5.956 1.00 0.00 H new ATOM 856 N ILE A 73 8.753 0.374 -2.865 1.00 0.00 N ATOM 857 CA ILE A 73 8.620 1.822 -2.775 1.00 0.00 C ATOM 858 C ILE A 73 9.825 2.530 -3.387 1.00 0.00 C ATOM 859 O ILE A 73 10.963 2.320 -2.964 1.00 0.00 O ATOM 860 CB ILE A 73 8.448 2.275 -1.318 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.248 1.565 -0.698 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.277 3.788 -1.238 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.432 1.245 0.763 1.00 0.00 C ATOM 0 H ILE A 73 9.615 0.005 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 73 7.728 2.094 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 73 9.345 2.010 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.364 2.191 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.060 0.641 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.157 4.086 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.157 4.276 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.394 4.085 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.542 0.741 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.297 0.594 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.590 2.168 1.321 1.00 0.00 H new ATOM 875 N ASN A 74 9.565 3.372 -4.382 1.00 0.00 N ATOM 876 CA ASN A 74 10.621 4.119 -5.060 1.00 0.00 C ATOM 877 C ASN A 74 11.766 3.196 -5.477 1.00 0.00 C ATOM 878 O ASN A 74 12.911 3.628 -5.596 1.00 0.00 O ATOM 879 CB ASN A 74 11.151 5.229 -4.151 1.00 0.00 C ATOM 880 CG ASN A 74 10.548 6.582 -4.480 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.366 6.925 -5.648 1.00 0.00 O ATOM 882 ND2 ASN A 74 10.239 7.358 -3.449 1.00 0.00 N ATOM 0 H ASN A 74 8.627 3.555 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 74 10.195 4.565 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.933 4.980 -3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.236 5.285 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.833 8.280 -3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.407 7.032 -2.497 1.00 0.00 H new ATOM 889 N GLY A 75 11.447 1.924 -5.696 1.00 0.00 N ATOM 890 CA GLY A 75 12.457 0.965 -6.095 1.00 0.00 C ATOM 891 C GLY A 75 12.980 0.144 -4.929 1.00 0.00 C ATOM 892 O GLY A 75 14.055 -0.449 -5.013 1.00 0.00 O ATOM 0 H GLY A 75 10.506 1.542 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.039 0.295 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.288 1.492 -6.564 1.00 0.00 H new ATOM 896 N THR A 76 12.215 0.105 -3.839 1.00 0.00 N ATOM 897 CA THR A 76 12.612 -0.653 -2.658 1.00 0.00 C ATOM 898 C THR A 76 11.671 -1.831 -2.434 1.00 0.00 C ATOM 899 O THR A 76 10.607 -1.682 -1.834 1.00 0.00 O ATOM 900 CB THR A 76 12.620 0.249 -1.428 1.00 0.00 C ATOM 901 OG1 THR A 76 13.218 1.497 -1.724 1.00 0.00 O ATOM 902 CG2 THR A 76 13.361 -0.351 -0.252 1.00 0.00 C ATOM 0 H THR A 76 11.321 0.588 -3.751 1.00 0.00 H new ATOM 0 HA THR A 76 13.619 -1.038 -2.821 1.00 0.00 H new ATOM 0 HB THR A 76 11.573 0.371 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.581 2.057 -2.216 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.329 0.341 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.890 -1.292 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.398 -0.535 -0.531 1.00 0.00 H new ATOM 910 N SER A 77 12.069 -3.000 -2.924 1.00 0.00 N ATOM 911 CA SER A 77 11.261 -4.206 -2.782 1.00 0.00 C ATOM 912 C SER A 77 10.956 -4.496 -1.317 1.00 0.00 C ATOM 913 O SER A 77 11.865 -4.594 -0.492 1.00 0.00 O ATOM 914 CB SER A 77 11.975 -5.402 -3.414 1.00 0.00 C ATOM 915 OG SER A 77 13.362 -5.380 -3.123 1.00 0.00 O ATOM 0 H SER A 77 12.947 -3.138 -3.424 1.00 0.00 H new ATOM 0 HA SER A 77 10.317 -4.039 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.537 -6.329 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.826 -5.389 -4.494 1.00 0.00 H new ATOM 0 HG SER A 77 13.795 -6.156 -3.537 1.00 0.00 H new ATOM 921 N LEU A 78 9.673 -4.633 -1.004 1.00 0.00 N ATOM 922 CA LEU A 78 9.245 -4.916 0.361 1.00 0.00 C ATOM 923 C LEU A 78 9.144 -6.419 0.609 1.00 0.00 C ATOM 924 O LEU A 78 8.857 -6.855 1.724 1.00 0.00 O ATOM 925 CB LEU A 78 7.894 -4.256 0.638 1.00 0.00 C ATOM 926 CG LEU A 78 7.926 -2.731 0.724 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.563 -2.193 1.130 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.995 -2.277 1.705 1.00 0.00 C ATOM 0 H LEU A 78 8.911 -4.553 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 78 9.995 -4.506 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.197 -4.546 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.500 -4.650 1.575 1.00 0.00 H new ATOM 0 HG LEU A 78 8.172 -2.333 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.603 -1.105 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.819 -2.491 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.288 -2.597 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.005 -1.188 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.778 -2.683 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.970 -2.634 1.372 1.00 0.00 H new ATOM 940 N VAL A 79 9.380 -7.209 -0.436 1.00 0.00 N ATOM 941 CA VAL A 79 9.314 -8.659 -0.323 1.00 0.00 C ATOM 942 C VAL A 79 10.595 -9.221 0.280 1.00 0.00 C ATOM 943 O VAL A 79 11.694 -8.919 -0.184 1.00 0.00 O ATOM 944 CB VAL A 79 9.082 -9.319 -1.696 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.651 -10.768 -1.526 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.052 -8.542 -2.503 1.00 0.00 C ATOM 0 H VAL A 79 9.618 -6.868 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 79 8.473 -8.886 0.332 1.00 0.00 H new ATOM 0 HB VAL A 79 10.023 -9.303 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.492 -11.218 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.428 -11.319 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.724 -10.807 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.905 -9.027 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.107 -8.519 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.406 -7.523 -2.659 1.00 0.00 H new ATOM 956 N GLY A 80 10.449 -10.042 1.313 1.00 0.00 N ATOM 957 CA GLY A 80 11.606 -10.633 1.956 1.00 0.00 C ATOM 958 C GLY A 80 12.050 -9.867 3.187 1.00 0.00 C ATOM 959 O GLY A 80 12.742 -10.414 4.046 1.00 0.00 O ATOM 0 H GLY A 80 9.551 -10.309 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.374 -11.660 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.430 -10.675 1.243 1.00 0.00 H new ATOM 963 N LEU A 81 11.656 -8.599 3.280 1.00 0.00 N ATOM 964 CA LEU A 81 12.028 -7.776 4.426 1.00 0.00 C ATOM 965 C LEU A 81 10.880 -7.691 5.431 1.00 0.00 C ATOM 966 O LEU A 81 9.714 -7.610 5.047 1.00 0.00 O ATOM 967 CB LEU A 81 12.442 -6.368 3.982 1.00 0.00 C ATOM 968 CG LEU A 81 11.744 -5.837 2.729 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.792 -4.316 2.700 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.383 -6.416 1.477 1.00 0.00 C ATOM 0 H LEU A 81 11.084 -8.123 2.582 1.00 0.00 H new ATOM 0 HA LEU A 81 12.881 -8.251 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.251 -5.677 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.518 -6.364 3.806 1.00 0.00 H new ATOM 0 HG LEU A 81 10.700 -6.149 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.291 -3.953 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.289 -3.919 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.830 -3.985 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.874 -6.027 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.435 -6.134 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.299 -7.503 1.495 1.00 0.00 H new ATOM 982 N PRO A 82 11.199 -7.712 6.738 1.00 0.00 N ATOM 983 CA PRO A 82 10.188 -7.640 7.799 1.00 0.00 C ATOM 984 C PRO A 82 9.429 -6.318 7.788 1.00 0.00 C ATOM 985 O PRO A 82 9.639 -5.477 6.913 1.00 0.00 O ATOM 986 CB PRO A 82 11.002 -7.779 9.090 1.00 0.00 C ATOM 987 CG PRO A 82 12.388 -7.385 8.713 1.00 0.00 C ATOM 988 CD PRO A 82 12.563 -7.808 7.284 1.00 0.00 C ATOM 0 HA PRO A 82 9.425 -8.409 7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.608 -7.135 9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.971 -8.801 9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.532 -6.310 8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.121 -7.872 9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.257 -7.156 6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.957 -8.822 7.209 1.00 0.00 H new ATOM 996 N LEU A 83 8.545 -6.141 8.765 1.00 0.00 N ATOM 997 CA LEU A 83 7.754 -4.922 8.867 1.00 0.00 C ATOM 998 C LEU A 83 8.622 -3.739 9.286 1.00 0.00 C ATOM 999 O LEU A 83 8.379 -2.604 8.878 1.00 0.00 O ATOM 1000 CB LEU A 83 6.613 -5.111 9.870 1.00 0.00 C ATOM 1001 CG LEU A 83 5.744 -3.872 10.102 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.185 -3.358 8.784 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.620 -4.187 11.075 1.00 0.00 C ATOM 0 H LEU A 83 8.359 -6.827 9.497 1.00 0.00 H new ATOM 0 HA LEU A 83 7.335 -4.710 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.975 -5.924 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.036 -5.423 10.825 1.00 0.00 H new ATOM 0 HG LEU A 83 6.366 -3.090 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.570 -2.477 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.007 -3.094 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.577 -4.134 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.012 -3.296 11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.999 -4.984 10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.042 -4.507 12.028 1.00 0.00 H new ATOM 1015 N SER A 84 9.637 -4.012 10.101 1.00 0.00 N ATOM 1016 CA SER A 84 10.538 -2.966 10.573 1.00 0.00 C ATOM 1017 C SER A 84 11.153 -2.206 9.401 1.00 0.00 C ATOM 1018 O SER A 84 11.265 -0.981 9.432 1.00 0.00 O ATOM 1019 CB SER A 84 11.645 -3.568 11.441 1.00 0.00 C ATOM 1020 OG SER A 84 12.626 -4.209 10.646 1.00 0.00 O ATOM 0 H SER A 84 9.856 -4.946 10.447 1.00 0.00 H new ATOM 0 HA SER A 84 9.956 -2.266 11.172 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.111 -2.783 12.037 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.214 -4.285 12.140 1.00 0.00 H new ATOM 0 HG SER A 84 13.323 -4.584 11.225 1.00 0.00 H new ATOM 1026 N THR A 85 11.544 -2.942 8.365 1.00 0.00 N ATOM 1027 CA THR A 85 12.142 -2.338 7.182 1.00 0.00 C ATOM 1028 C THR A 85 11.115 -1.508 6.420 1.00 0.00 C ATOM 1029 O THR A 85 11.362 -0.347 6.094 1.00 0.00 O ATOM 1030 CB THR A 85 12.720 -3.418 6.271 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.375 -4.419 7.029 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.713 -2.881 5.262 1.00 0.00 C ATOM 0 H THR A 85 11.457 -3.957 8.322 1.00 0.00 H new ATOM 0 HA THR A 85 12.947 -1.679 7.507 1.00 0.00 H new ATOM 0 HB THR A 85 11.865 -3.828 5.733 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.871 -5.013 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.085 -3.700 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.223 -2.143 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.546 -2.413 5.786 1.00 0.00 H new ATOM 1040 N CYS A 86 9.960 -2.108 6.144 1.00 0.00 N ATOM 1041 CA CYS A 86 8.893 -1.423 5.422 1.00 0.00 C ATOM 1042 C CYS A 86 8.488 -0.144 6.146 1.00 0.00 C ATOM 1043 O CYS A 86 8.399 0.920 5.537 1.00 0.00 O ATOM 1044 CB CYS A 86 7.683 -2.345 5.263 1.00 0.00 C ATOM 1045 SG CYS A 86 8.087 -4.011 4.683 1.00 0.00 S ATOM 0 H CYS A 86 9.740 -3.068 6.410 1.00 0.00 H new ATOM 0 HA CYS A 86 9.265 -1.156 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.171 -2.421 6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.983 -1.889 4.563 1.00 0.00 H new ATOM 0 HG CYS A 86 8.650 -4.681 5.645 1.00 0.00 H new ATOM 1051 N GLN A 87 8.254 -0.253 7.451 1.00 0.00 N ATOM 1052 CA GLN A 87 7.869 0.902 8.256 1.00 0.00 C ATOM 1053 C GLN A 87 8.879 2.030 8.095 1.00 0.00 C ATOM 1054 O GLN A 87 8.510 3.185 7.877 1.00 0.00 O ATOM 1055 CB GLN A 87 7.757 0.512 9.731 1.00 0.00 C ATOM 1056 CG GLN A 87 6.591 -0.418 10.029 1.00 0.00 C ATOM 1057 CD GLN A 87 5.246 0.238 9.785 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.845 0.307 8.522 1.00 0.00 O flip ATOM 1059 NE2 GLN A 87 4.578 0.676 10.721 1.00 0.00 N flip ATOM 0 H GLN A 87 8.324 -1.127 7.972 1.00 0.00 H new ATOM 0 HA GLN A 87 6.897 1.250 7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.684 0.030 10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.652 1.416 10.330 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.674 -1.310 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.648 -0.746 11.067 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.927 0.600 11.676 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.675 1.115 10.542 1.00 0.00 H new ATOM 1068 N SER A 88 10.155 1.685 8.205 1.00 0.00 N ATOM 1069 CA SER A 88 11.225 2.661 8.071 1.00 0.00 C ATOM 1070 C SER A 88 11.178 3.336 6.706 1.00 0.00 C ATOM 1071 O SER A 88 11.517 4.513 6.574 1.00 0.00 O ATOM 1072 CB SER A 88 12.585 1.997 8.282 1.00 0.00 C ATOM 1073 OG SER A 88 12.661 1.381 9.557 1.00 0.00 O ATOM 0 H SER A 88 10.474 0.733 8.387 1.00 0.00 H new ATOM 0 HA SER A 88 11.083 3.423 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.754 1.252 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.375 2.742 8.187 1.00 0.00 H new ATOM 0 HG SER A 88 12.129 0.558 9.555 1.00 0.00 H new ATOM 1079 N ILE A 89 10.740 2.593 5.694 1.00 0.00 N ATOM 1080 CA ILE A 89 10.635 3.131 4.353 1.00 0.00 C ATOM 1081 C ILE A 89 9.537 4.181 4.313 1.00 0.00 C ATOM 1082 O ILE A 89 9.722 5.270 3.778 1.00 0.00 O ATOM 1083 CB ILE A 89 10.342 2.016 3.323 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.536 1.060 3.236 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.024 2.609 1.957 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.500 0.138 2.035 1.00 0.00 C ATOM 0 H ILE A 89 10.454 1.618 5.783 1.00 0.00 H new ATOM 0 HA ILE A 89 11.589 3.587 4.088 1.00 0.00 H new ATOM 0 HB ILE A 89 9.467 1.456 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.455 1.645 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.573 0.457 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.821 1.805 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.148 3.253 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.875 3.194 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.379 -0.507 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.599 -0.475 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.496 0.731 1.121 1.00 0.00 H new ATOM 1098 N ILE A 90 8.399 3.846 4.907 1.00 0.00 N ATOM 1099 CA ILE A 90 7.272 4.764 4.960 1.00 0.00 C ATOM 1100 C ILE A 90 7.629 6.000 5.774 1.00 0.00 C ATOM 1101 O ILE A 90 7.275 7.121 5.409 1.00 0.00 O ATOM 1102 CB ILE A 90 6.033 4.102 5.585 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.823 2.710 4.986 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.808 4.982 5.377 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.474 2.101 5.306 1.00 0.00 C ATOM 0 H ILE A 90 8.233 2.946 5.358 1.00 0.00 H new ATOM 0 HA ILE A 90 7.041 5.048 3.933 1.00 0.00 H new ATOM 0 HB ILE A 90 6.189 3.989 6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.936 2.770 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.606 2.046 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.936 4.504 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.972 5.951 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.638 5.122 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.402 1.115 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.364 2.007 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.684 2.742 4.916 1.00 0.00 H new ATOM 1117 N LYS A 91 8.337 5.785 6.880 1.00 0.00 N ATOM 1118 CA LYS A 91 8.747 6.881 7.747 1.00 0.00 C ATOM 1119 C LYS A 91 9.782 7.752 7.046 1.00 0.00 C ATOM 1120 O LYS A 91 9.782 8.976 7.191 1.00 0.00 O ATOM 1121 CB LYS A 91 9.315 6.337 9.060 1.00 0.00 C ATOM 1122 CG LYS A 91 8.374 6.508 10.244 1.00 0.00 C ATOM 1123 CD LYS A 91 8.039 5.172 10.891 1.00 0.00 C ATOM 1124 CE LYS A 91 6.916 4.459 10.152 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.703 4.307 11.000 1.00 0.00 N ATOM 0 H LYS A 91 8.637 4.862 7.195 1.00 0.00 H new ATOM 0 HA LYS A 91 7.872 7.491 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.543 5.278 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.256 6.843 9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.833 7.165 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.456 6.993 9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.927 4.540 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.748 5.332 11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.662 5.018 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.260 3.476 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.961 3.817 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.939 3.752 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.360 5.246 11.286 1.00 0.00 H new ATOM 1139 N GLY A 92 10.656 7.112 6.276 1.00 0.00 N ATOM 1140 CA GLY A 92 11.681 7.840 5.551 1.00 0.00 C ATOM 1141 C GLY A 92 11.128 8.553 4.330 1.00 0.00 C ATOM 1142 O GLY A 92 11.848 9.285 3.651 1.00 0.00 O ATOM 0 H GLY A 92 10.673 6.101 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.144 8.569 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.464 7.148 5.241 1.00 0.00 H new ATOM 1146 N LEU A 93 9.842 8.342 4.050 1.00 0.00 N ATOM 1147 CA LEU A 93 9.192 8.969 2.907 1.00 0.00 C ATOM 1148 C LEU A 93 8.523 10.278 3.315 1.00 0.00 C ATOM 1149 O LEU A 93 7.448 10.618 2.820 1.00 0.00 O ATOM 1150 CB LEU A 93 8.147 8.026 2.311 1.00 0.00 C ATOM 1151 CG LEU A 93 8.712 6.853 1.513 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.615 5.843 1.211 1.00 0.00 C ATOM 1153 CD2 LEU A 93 9.358 7.350 0.229 1.00 0.00 C ATOM 0 H LEU A 93 9.232 7.740 4.602 1.00 0.00 H new ATOM 0 HA LEU A 93 9.956 9.183 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.532 7.632 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.488 8.603 1.662 1.00 0.00 H new ATOM 0 HG LEU A 93 9.477 6.358 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.032 5.012 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.197 5.469 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.829 6.323 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.756 6.503 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.613 7.866 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.168 8.038 0.472 1.00 0.00 H new ATOM 1165 N LYS A 94 9.158 11.001 4.228 1.00 0.00 N ATOM 1166 CA LYS A 94 8.622 12.256 4.712 1.00 0.00 C ATOM 1167 C LYS A 94 9.018 13.419 3.810 1.00 0.00 C ATOM 1168 O LYS A 94 8.196 14.276 3.494 1.00 0.00 O ATOM 1169 CB LYS A 94 9.101 12.520 6.139 1.00 0.00 C ATOM 1170 CG LYS A 94 8.090 13.267 6.991 1.00 0.00 C ATOM 1171 CD LYS A 94 8.769 14.255 7.929 1.00 0.00 C ATOM 1172 CE LYS A 94 8.418 13.973 9.380 1.00 0.00 C ATOM 1173 NZ LYS A 94 8.951 15.019 10.295 1.00 0.00 N ATOM 0 H LYS A 94 10.049 10.734 4.647 1.00 0.00 H new ATOM 0 HA LYS A 94 7.535 12.176 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.334 11.569 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.027 13.094 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.391 13.799 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.506 12.554 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.850 14.200 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.467 15.270 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.335 13.916 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.819 13.001 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.690 14.789 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.987 15.057 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.549 15.943 10.037 1.00 0.00 H new ATOM 1187 N ASN A 95 10.285 13.457 3.410 1.00 0.00 N ATOM 1188 CA ASN A 95 10.773 14.536 2.564 1.00 0.00 C ATOM 1189 C ASN A 95 11.243 14.030 1.201 1.00 0.00 C ATOM 1190 O ASN A 95 12.408 14.189 0.837 1.00 0.00 O ATOM 1191 CB ASN A 95 11.913 15.275 3.269 1.00 0.00 C ATOM 1192 CG ASN A 95 12.949 14.328 3.842 1.00 0.00 C ATOM 1193 OD1 ASN A 95 12.629 13.715 4.975 1.00 0.00 O flip ATOM 1194 ND2 ASN A 95 14.026 14.149 3.271 1.00 0.00 N flip ATOM 0 H ASN A 95 10.986 12.758 3.656 1.00 0.00 H new ATOM 0 HA ASN A 95 9.942 15.220 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.395 15.952 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.503 15.889 4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 95 14.230 14.641 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 95 14.713 13.508 3.668 1.00 0.00 H new ATOM 1201 N GLN A 96 10.326 13.438 0.445 1.00 0.00 N ATOM 1202 CA GLN A 96 10.647 12.930 -0.889 1.00 0.00 C ATOM 1203 C GLN A 96 9.899 13.723 -1.951 1.00 0.00 C ATOM 1204 O GLN A 96 10.415 13.951 -3.046 1.00 0.00 O ATOM 1205 CB GLN A 96 10.288 11.446 -1.020 1.00 0.00 C ATOM 1206 CG GLN A 96 10.264 10.691 0.294 1.00 0.00 C ATOM 1207 CD GLN A 96 11.650 10.283 0.757 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.179 11.000 1.742 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 12.237 9.336 0.236 1.00 0.00 N flip ATOM 0 H GLN A 96 9.357 13.297 0.729 1.00 0.00 H new ATOM 0 HA GLN A 96 11.721 13.044 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.309 11.361 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.006 10.968 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.798 11.313 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.644 9.801 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.792 8.813 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.169 9.074 0.558 1.00 0.00 H new ATOM 1218 N SER A 97 8.675 14.129 -1.612 1.00 0.00 N ATOM 1219 CA SER A 97 7.809 14.897 -2.514 1.00 0.00 C ATOM 1220 C SER A 97 6.937 13.973 -3.361 1.00 0.00 C ATOM 1221 O SER A 97 5.913 14.395 -3.899 1.00 0.00 O ATOM 1222 CB SER A 97 8.624 15.830 -3.415 1.00 0.00 C ATOM 1223 OG SER A 97 9.593 16.544 -2.669 1.00 0.00 O ATOM 0 H SER A 97 8.253 13.936 -0.704 1.00 0.00 H new ATOM 0 HA SER A 97 7.158 15.510 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.117 15.249 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.956 16.532 -3.915 1.00 0.00 H new ATOM 0 HG SER A 97 10.100 17.131 -3.268 1.00 0.00 H new ATOM 1229 N ARG A 98 7.339 12.712 -3.462 1.00 0.00 N ATOM 1230 CA ARG A 98 6.591 11.730 -4.225 1.00 0.00 C ATOM 1231 C ARG A 98 7.079 10.318 -3.932 1.00 0.00 C ATOM 1232 O ARG A 98 8.240 10.113 -3.576 1.00 0.00 O ATOM 1233 CB ARG A 98 6.660 12.013 -5.710 1.00 0.00 C ATOM 1234 CG ARG A 98 8.054 12.270 -6.231 1.00 0.00 C ATOM 1235 CD ARG A 98 8.087 13.536 -7.063 1.00 0.00 C ATOM 1236 NE ARG A 98 8.782 14.629 -6.388 1.00 0.00 N ATOM 1237 CZ ARG A 98 10.099 14.825 -6.454 1.00 0.00 C ATOM 1238 NH1 ARG A 98 10.870 13.986 -7.133 1.00 0.00 N ATOM 1239 NH2 ARG A 98 10.647 15.865 -5.837 1.00 0.00 N ATOM 0 H ARG A 98 8.184 12.348 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 98 5.549 11.805 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.234 11.167 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.037 12.879 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.749 12.359 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.385 11.424 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.578 13.330 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.067 13.844 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 98 8.227 15.281 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.456 13.185 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.877 14.142 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.060 16.514 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.655 16.015 -5.887 1.00 0.00 H new ATOM 1253 N VAL A 99 6.182 9.349 -4.064 1.00 0.00 N ATOM 1254 CA VAL A 99 6.516 7.954 -3.793 1.00 0.00 C ATOM 1255 C VAL A 99 6.125 7.030 -4.942 1.00 0.00 C ATOM 1256 O VAL A 99 4.944 6.778 -5.178 1.00 0.00 O ATOM 1257 CB VAL A 99 5.833 7.455 -2.507 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.503 6.181 -2.019 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.860 8.529 -1.427 1.00 0.00 C ATOM 0 H VAL A 99 5.217 9.502 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 99 7.599 7.924 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 99 4.790 7.234 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.012 5.837 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.424 5.411 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.554 6.380 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.372 8.153 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.894 8.788 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.334 9.415 -1.782 1.00 0.00 H new ATOM 1269 N LYS A 100 7.132 6.505 -5.635 1.00 0.00 N ATOM 1270 CA LYS A 100 6.907 5.581 -6.741 1.00 0.00 C ATOM 1271 C LYS A 100 6.902 4.153 -6.216 1.00 0.00 C ATOM 1272 O LYS A 100 7.877 3.418 -6.379 1.00 0.00 O ATOM 1273 CB LYS A 100 8.005 5.728 -7.797 1.00 0.00 C ATOM 1274 CG LYS A 100 8.342 7.169 -8.137 1.00 0.00 C ATOM 1275 CD LYS A 100 8.195 7.442 -9.626 1.00 0.00 C ATOM 1276 CE LYS A 100 6.787 7.141 -10.113 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.759 6.790 -11.558 1.00 0.00 N ATOM 0 H LYS A 100 8.115 6.705 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 100 5.945 5.813 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.906 5.228 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.693 5.214 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.688 7.838 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.363 7.388 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.436 8.485 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.910 6.834 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.371 6.318 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.150 8.008 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.780 6.592 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.132 7.585 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.346 5.947 -11.722 1.00 0.00 H new ATOM 1291 N LEU A 101 5.814 3.770 -5.565 1.00 0.00 N ATOM 1292 CA LEU A 101 5.707 2.435 -4.996 1.00 0.00 C ATOM 1293 C LEU A 101 4.739 1.561 -5.785 1.00 0.00 C ATOM 1294 O LEU A 101 3.553 1.867 -5.905 1.00 0.00 O ATOM 1295 CB LEU A 101 5.302 2.516 -3.522 1.00 0.00 C ATOM 1296 CG LEU A 101 3.905 3.056 -3.254 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.488 2.750 -1.825 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.842 4.555 -3.518 1.00 0.00 C ATOM 0 H LEU A 101 4.996 4.362 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 101 6.688 1.964 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.376 1.519 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.022 3.146 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 101 3.211 2.563 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.487 3.142 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.489 1.671 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.189 3.217 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.833 4.917 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.547 5.069 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.100 4.752 -4.558 1.00 0.00 H new ATOM 1310 N ASN A 102 5.266 0.466 -6.325 1.00 0.00 N ATOM 1311 CA ASN A 102 4.464 -0.469 -7.103 1.00 0.00 C ATOM 1312 C ASN A 102 3.803 -1.488 -6.184 1.00 0.00 C ATOM 1313 O ASN A 102 4.478 -2.322 -5.582 1.00 0.00 O ATOM 1314 CB ASN A 102 5.335 -1.185 -8.140 1.00 0.00 C ATOM 1315 CG ASN A 102 4.966 -0.810 -9.562 1.00 0.00 C ATOM 1316 OD1 ASN A 102 3.714 -1.052 -9.932 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 5.797 -0.307 -10.319 1.00 0.00 N flip ATOM 0 H ASN A 102 6.248 0.205 -6.237 1.00 0.00 H new ATOM 0 HA ASN A 102 3.688 0.091 -7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.382 -0.940 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.234 -2.263 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.748 -0.139 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.534 -0.059 -11.273 1.00 0.00 H new ATOM 1324 N ILE A 103 2.484 -1.409 -6.068 1.00 0.00 N ATOM 1325 CA ILE A 103 1.749 -2.322 -5.207 1.00 0.00 C ATOM 1326 C ILE A 103 1.108 -3.455 -5.997 1.00 0.00 C ATOM 1327 O ILE A 103 1.150 -3.474 -7.228 1.00 0.00 O ATOM 1328 CB ILE A 103 0.664 -1.592 -4.399 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.411 -1.024 -5.315 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.276 -0.482 -3.566 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.755 -0.953 -4.646 1.00 0.00 C ATOM 0 H ILE A 103 1.905 -0.726 -6.557 1.00 0.00 H new ATOM 0 HA ILE A 103 2.481 -2.744 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 103 0.199 -2.318 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.117 -0.026 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.486 -1.642 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.493 0.023 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.006 -0.905 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.770 0.235 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.486 -0.541 -5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.065 -1.954 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.690 -0.313 -3.766 1.00 0.00 H new ATOM 1343 N VAL A 104 0.518 -4.399 -5.274 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.131 -5.543 -5.890 1.00 0.00 C ATOM 1345 C VAL A 104 -1.623 -5.576 -5.566 1.00 0.00 C ATOM 1346 O VAL A 104 -2.022 -5.496 -4.398 1.00 0.00 O ATOM 1347 CB VAL A 104 0.520 -6.865 -5.435 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.173 -8.061 -6.071 1.00 0.00 C ATOM 1349 CG2 VAL A 104 2.006 -6.864 -5.760 1.00 0.00 C ATOM 0 H VAL A 104 0.477 -4.392 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.006 -5.438 -6.968 1.00 0.00 H new ATOM 0 HB VAL A 104 0.404 -6.949 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.305 -8.980 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.223 -8.070 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.098 -7.990 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.451 -7.804 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.143 -6.753 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.491 -6.034 -5.245 1.00 0.00 H new