USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 468 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 47 THR OG1 : rot 180:sc= 0.0116 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -1.91! USER MOD Set 2.2: A 19 HIS : no HD1:sc= -2.67 K(o=-4.6,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 HIS : no HD1:sc= -6.52! C(o=-6.5!,f=-6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -1:sc= 1.44 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 36 GLN : amide:sc= -2.91! C(o=-2.9!,f=-1.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.022 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= -4.33! C(o=-4.3!,f=-6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.39! C(o=-2.4!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.259 11.623 15.091 1.00 0.00 N ATOM 2 CA GLY A 1 0.709 10.218 14.883 1.00 0.00 C ATOM 3 C GLY A 1 -0.276 9.262 15.559 1.00 0.00 C ATOM 4 O GLY A 1 0.109 8.379 16.300 1.00 0.00 O ATOM 0 H1 GLY A 1 0.928 12.273 14.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.687 11.750 14.677 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.221 11.828 16.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.772 9.999 13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.708 10.080 15.296 1.00 0.00 H new ATOM 10 N SER A 2 -1.546 9.429 15.308 1.00 0.00 N ATOM 11 CA SER A 2 -2.555 8.528 15.937 1.00 0.00 C ATOM 12 C SER A 2 -3.429 7.881 14.859 1.00 0.00 C ATOM 13 O SER A 2 -4.597 8.190 14.738 1.00 0.00 O ATOM 14 CB SER A 2 -3.395 9.439 16.833 1.00 0.00 C ATOM 15 OG SER A 2 -4.112 8.650 17.770 1.00 0.00 O ATOM 0 H SER A 2 -1.929 10.149 14.695 1.00 0.00 H new ATOM 0 HA SER A 2 -2.092 7.717 16.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.752 10.147 17.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.088 10.024 16.228 1.00 0.00 H new ATOM 0 HG SER A 2 -4.649 9.233 18.346 1.00 0.00 H new ATOM 21 N PRO A 3 -2.826 6.999 14.110 1.00 0.00 N ATOM 22 CA PRO A 3 -3.593 6.317 13.035 1.00 0.00 C ATOM 23 C PRO A 3 -4.793 5.572 13.628 1.00 0.00 C ATOM 24 O PRO A 3 -4.694 4.937 14.659 1.00 0.00 O ATOM 25 CB PRO A 3 -2.594 5.335 12.432 1.00 0.00 C ATOM 26 CG PRO A 3 -1.610 5.076 13.523 1.00 0.00 C ATOM 27 CD PRO A 3 -1.538 6.330 14.352 1.00 0.00 C ATOM 0 HA PRO A 3 -3.994 7.011 12.296 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.085 4.415 12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.108 5.756 11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.923 4.228 14.132 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.632 4.829 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.401 6.101 15.409 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.700 6.959 14.051 1.00 0.00 H new ATOM 35 N LEU A 4 -5.925 5.644 12.983 1.00 0.00 N ATOM 36 CA LEU A 4 -7.130 4.939 13.510 1.00 0.00 C ATOM 37 C LEU A 4 -6.836 3.446 13.673 1.00 0.00 C ATOM 38 O LEU A 4 -7.360 2.794 14.554 1.00 0.00 O ATOM 39 CB LEU A 4 -8.211 5.162 12.453 1.00 0.00 C ATOM 40 CG LEU A 4 -9.535 4.577 12.950 1.00 0.00 C ATOM 41 CD1 LEU A 4 -10.004 5.353 14.182 1.00 0.00 C ATOM 42 CD2 LEU A 4 -10.588 4.687 11.845 1.00 0.00 C ATOM 0 H LEU A 4 -6.069 6.160 12.115 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.435 5.311 14.488 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.324 6.227 12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.921 4.689 11.515 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.394 3.529 13.213 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.947 4.937 14.537 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.254 5.274 14.969 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.146 6.401 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.531 4.270 12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.730 5.735 11.581 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.253 4.134 10.967 1.00 0.00 H new ATOM 54 N GLN A 5 -6.000 2.901 12.832 1.00 0.00 N ATOM 55 CA GLN A 5 -5.673 1.450 12.941 1.00 0.00 C ATOM 56 C GLN A 5 -4.305 1.265 13.602 1.00 0.00 C ATOM 57 O GLN A 5 -3.276 1.493 12.997 1.00 0.00 O ATOM 58 CB GLN A 5 -5.646 0.943 11.499 1.00 0.00 C ATOM 59 CG GLN A 5 -5.404 -0.569 11.494 1.00 0.00 C ATOM 60 CD GLN A 5 -5.435 -1.084 10.054 1.00 0.00 C ATOM 61 OE1 GLN A 5 -5.847 -0.381 9.153 1.00 0.00 O ATOM 62 NE2 GLN A 5 -5.012 -2.292 9.796 1.00 0.00 N ATOM 0 H GLN A 5 -5.530 3.397 12.075 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.395 0.907 13.551 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.589 1.173 11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.860 1.450 10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.441 -0.796 11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.167 -1.072 12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.666 -2.883 10.552 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.028 -2.644 8.839 1.00 0.00 H new ATOM 71 N ASP A 6 -4.286 0.854 14.841 1.00 0.00 N ATOM 72 CA ASP A 6 -2.985 0.653 15.541 1.00 0.00 C ATOM 73 C ASP A 6 -3.093 -0.509 16.531 1.00 0.00 C ATOM 74 O ASP A 6 -3.337 -0.316 17.705 1.00 0.00 O ATOM 75 CB ASP A 6 -2.726 1.966 16.281 1.00 0.00 C ATOM 76 CG ASP A 6 -1.323 1.940 16.890 1.00 0.00 C ATOM 77 OD1 ASP A 6 -0.381 2.234 16.173 1.00 0.00 O ATOM 78 OD2 ASP A 6 -1.214 1.624 18.063 1.00 0.00 O ATOM 0 H ASP A 6 -5.115 0.649 15.399 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.177 0.409 14.851 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.821 2.807 15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.471 2.108 17.064 1.00 0.00 H new ATOM 83 N ASN A 7 -2.915 -1.714 16.065 1.00 0.00 N ATOM 84 CA ASN A 7 -3.011 -2.889 16.977 1.00 0.00 C ATOM 85 C ASN A 7 -1.613 -3.363 17.385 1.00 0.00 C ATOM 86 O ASN A 7 -0.909 -3.983 16.615 1.00 0.00 O ATOM 87 CB ASN A 7 -3.722 -3.966 16.159 1.00 0.00 C ATOM 88 CG ASN A 7 -5.141 -3.501 15.824 1.00 0.00 C ATOM 89 OD1 ASN A 7 -5.666 -2.609 16.461 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.786 -4.072 14.844 1.00 0.00 N ATOM 0 H ASN A 7 -2.707 -1.936 15.091 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.546 -2.653 17.897 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.168 -4.166 15.242 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.757 -4.900 16.720 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.732 -3.770 14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.344 -4.820 14.310 1.00 0.00 H new ATOM 97 N LEU A 8 -1.210 -3.080 18.594 1.00 0.00 N ATOM 98 CA LEU A 8 0.140 -3.520 19.051 1.00 0.00 C ATOM 99 C LEU A 8 0.001 -4.557 20.169 1.00 0.00 C ATOM 100 O LEU A 8 -0.883 -4.474 20.997 1.00 0.00 O ATOM 101 CB LEU A 8 0.815 -2.252 19.575 1.00 0.00 C ATOM 102 CG LEU A 8 2.194 -2.605 20.137 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.170 -2.841 18.984 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.701 -1.452 21.007 1.00 0.00 C ATOM 0 H LEU A 8 -1.756 -2.564 19.284 1.00 0.00 H new ATOM 0 HA LEU A 8 0.718 -3.986 18.252 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.913 -1.521 18.772 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.201 -1.794 20.350 1.00 0.00 H new ATOM 0 HG LEU A 8 2.119 -3.510 20.740 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.152 -3.092 19.384 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.810 -3.662 18.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.245 -1.937 18.380 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.683 -1.703 21.408 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.775 -0.547 20.404 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.006 -1.284 21.830 1.00 0.00 H new ATOM 116 N VAL A 9 0.867 -5.533 20.200 1.00 0.00 N ATOM 117 CA VAL A 9 0.776 -6.570 21.268 1.00 0.00 C ATOM 118 C VAL A 9 2.174 -7.045 21.670 1.00 0.00 C ATOM 119 O VAL A 9 3.151 -6.767 21.006 1.00 0.00 O ATOM 120 CB VAL A 9 -0.016 -7.719 20.642 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.444 -7.254 20.348 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.658 -8.154 19.339 1.00 0.00 C ATOM 0 H VAL A 9 1.631 -5.657 19.535 1.00 0.00 H new ATOM 0 HA VAL A 9 0.298 -6.187 22.170 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.043 -8.560 21.334 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.009 -8.073 19.902 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.925 -6.945 21.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.417 -6.412 19.656 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.093 -8.973 18.893 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.687 -7.313 18.646 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.675 -8.486 19.549 1.00 0.00 H new ATOM 132 N ILE A 10 2.271 -7.766 22.753 1.00 0.00 N ATOM 133 CA ILE A 10 3.601 -8.270 23.198 1.00 0.00 C ATOM 134 C ILE A 10 3.645 -9.794 23.068 1.00 0.00 C ATOM 135 O ILE A 10 2.640 -10.465 23.199 1.00 0.00 O ATOM 136 CB ILE A 10 3.716 -7.849 24.664 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.621 -6.326 24.767 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.062 -8.317 25.223 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.521 -5.919 26.238 1.00 0.00 C ATOM 0 H ILE A 10 1.486 -8.028 23.349 1.00 0.00 H new ATOM 0 HA ILE A 10 4.421 -7.872 22.600 1.00 0.00 H new ATOM 0 HB ILE A 10 2.907 -8.301 25.237 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.496 -5.865 24.310 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.749 -5.968 24.219 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.146 -8.018 26.268 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.129 -9.402 25.150 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.871 -7.864 24.650 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.453 -4.834 26.311 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.632 -6.369 26.680 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.406 -6.264 26.772 1.00 0.00 H new ATOM 151 N ALA A 11 4.796 -10.348 22.805 1.00 0.00 N ATOM 152 CA ALA A 11 4.888 -11.827 22.661 1.00 0.00 C ATOM 153 C ALA A 11 4.940 -12.496 24.037 1.00 0.00 C ATOM 154 O ALA A 11 5.896 -12.351 24.771 1.00 0.00 O ATOM 155 CB ALA A 11 6.192 -12.070 21.900 1.00 0.00 C ATOM 0 H ALA A 11 5.674 -9.842 22.684 1.00 0.00 H new ATOM 0 HA ALA A 11 4.025 -12.243 22.140 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.333 -13.141 21.753 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.145 -11.574 20.931 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.028 -11.669 22.473 1.00 0.00 H new ATOM 161 N LEU A 12 3.928 -13.238 24.388 1.00 0.00 N ATOM 162 CA LEU A 12 3.940 -13.925 25.711 1.00 0.00 C ATOM 163 C LEU A 12 4.971 -15.054 25.679 1.00 0.00 C ATOM 164 O LEU A 12 5.505 -15.456 26.693 1.00 0.00 O ATOM 165 CB LEU A 12 2.528 -14.487 25.883 1.00 0.00 C ATOM 166 CG LEU A 12 2.186 -14.557 27.372 1.00 0.00 C ATOM 167 CD1 LEU A 12 3.285 -15.320 28.114 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.080 -13.139 27.937 1.00 0.00 C ATOM 0 H LEU A 12 3.096 -13.399 23.820 1.00 0.00 H new ATOM 0 HA LEU A 12 4.205 -13.259 26.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.808 -13.856 25.363 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.463 -15.479 25.437 1.00 0.00 H new ATOM 0 HG LEU A 12 1.235 -15.073 27.502 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.041 -15.370 29.175 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.362 -16.330 27.712 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.237 -14.805 27.984 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.836 -13.187 28.998 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.031 -12.623 27.806 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.297 -12.595 27.409 1.00 0.00 H new ATOM 180 N HIS A 13 5.253 -15.558 24.510 1.00 0.00 N ATOM 181 CA HIS A 13 6.250 -16.659 24.380 1.00 0.00 C ATOM 182 C HIS A 13 6.773 -16.707 22.942 1.00 0.00 C ATOM 183 O HIS A 13 6.079 -16.349 22.012 1.00 0.00 O ATOM 184 CB HIS A 13 5.473 -17.930 24.711 1.00 0.00 C ATOM 185 CG HIS A 13 5.357 -18.077 26.203 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.437 -17.885 27.051 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.295 -18.396 27.013 1.00 0.00 C ATOM 188 CE1 HIS A 13 6.004 -18.089 28.309 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.707 -18.403 28.343 1.00 0.00 N ATOM 0 H HIS A 13 4.833 -15.253 23.632 1.00 0.00 H new ATOM 0 HA HIS A 13 7.112 -16.529 25.035 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.481 -17.889 24.261 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.979 -18.798 24.288 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.293 -18.609 26.671 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.630 -18.008 29.185 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.140 -18.605 29.166 1.00 0.00 H new ATOM 197 N SER A 14 7.983 -17.150 22.743 1.00 0.00 N ATOM 198 CA SER A 14 8.527 -17.217 21.356 1.00 0.00 C ATOM 199 C SER A 14 7.704 -18.201 20.521 1.00 0.00 C ATOM 200 O SER A 14 7.297 -19.242 21.000 1.00 0.00 O ATOM 201 CB SER A 14 9.963 -17.716 21.516 1.00 0.00 C ATOM 202 OG SER A 14 9.953 -19.111 21.775 1.00 0.00 O ATOM 0 H SER A 14 8.617 -17.467 23.476 1.00 0.00 H new ATOM 0 HA SER A 14 8.489 -16.254 20.847 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.535 -17.507 20.612 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.454 -17.187 22.333 1.00 0.00 H new ATOM 0 HG SER A 14 10.874 -19.432 21.876 1.00 0.00 H new ATOM 208 N TYR A 15 7.452 -17.887 19.279 1.00 0.00 N ATOM 209 CA TYR A 15 6.652 -18.818 18.431 1.00 0.00 C ATOM 210 C TYR A 15 7.575 -19.627 17.516 1.00 0.00 C ATOM 211 O TYR A 15 8.720 -19.278 17.306 1.00 0.00 O ATOM 212 CB TYR A 15 5.730 -17.916 17.610 1.00 0.00 C ATOM 213 CG TYR A 15 4.899 -18.764 16.675 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.660 -19.257 17.097 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.370 -19.057 15.390 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.890 -20.046 16.233 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.600 -19.846 14.526 1.00 0.00 C ATOM 218 CZ TYR A 15 3.361 -20.340 14.948 1.00 0.00 C ATOM 219 OH TYR A 15 2.602 -21.117 14.096 1.00 0.00 O ATOM 0 H TYR A 15 7.763 -17.032 18.817 1.00 0.00 H new ATOM 0 HA TYR A 15 6.089 -19.538 19.025 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.081 -17.342 18.272 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.319 -17.198 17.040 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.297 -19.029 18.088 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.326 -18.675 15.065 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.933 -20.427 16.558 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.963 -20.073 13.534 1.00 0.00 H new ATOM 0 HH TYR A 15 1.778 -21.391 14.550 1.00 0.00 H new ATOM 229 N GLU A 16 7.085 -20.707 16.971 1.00 0.00 N ATOM 230 CA GLU A 16 7.933 -21.540 16.071 1.00 0.00 C ATOM 231 C GLU A 16 7.328 -21.585 14.665 1.00 0.00 C ATOM 232 O GLU A 16 6.164 -21.887 14.499 1.00 0.00 O ATOM 233 CB GLU A 16 7.931 -22.934 16.698 1.00 0.00 C ATOM 234 CG GLU A 16 8.694 -23.901 15.790 1.00 0.00 C ATOM 235 CD GLU A 16 8.432 -25.339 16.239 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.273 -25.718 16.301 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.394 -26.038 16.514 1.00 0.00 O ATOM 0 H GLU A 16 6.134 -21.049 17.110 1.00 0.00 H new ATOM 0 HA GLU A 16 8.942 -21.140 15.971 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.394 -22.902 17.684 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.907 -23.280 16.838 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.379 -23.769 14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.762 -23.686 15.828 1.00 0.00 H new ATOM 244 N PRO A 17 8.149 -21.278 13.699 1.00 0.00 N ATOM 245 CA PRO A 17 7.653 -21.290 12.298 1.00 0.00 C ATOM 246 C PRO A 17 7.667 -22.714 11.735 1.00 0.00 C ATOM 247 O PRO A 17 8.602 -23.120 11.073 1.00 0.00 O ATOM 248 CB PRO A 17 8.642 -20.405 11.548 1.00 0.00 C ATOM 249 CG PRO A 17 9.896 -20.465 12.355 1.00 0.00 C ATOM 250 CD PRO A 17 9.483 -20.666 13.788 1.00 0.00 C ATOM 0 HA PRO A 17 6.626 -20.936 12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.807 -20.768 10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.274 -19.382 11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.533 -21.283 12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.471 -19.546 12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.183 -21.313 14.317 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.452 -19.720 14.329 1.00 0.00 H new ATOM 258 N SER A 18 6.637 -23.475 11.989 1.00 0.00 N ATOM 259 CA SER A 18 6.594 -24.869 11.461 1.00 0.00 C ATOM 260 C SER A 18 6.173 -24.858 9.990 1.00 0.00 C ATOM 261 O SER A 18 6.140 -25.881 9.335 1.00 0.00 O ATOM 262 CB SER A 18 5.544 -25.582 12.315 1.00 0.00 C ATOM 263 OG SER A 18 4.260 -25.046 12.032 1.00 0.00 O ATOM 0 H SER A 18 5.825 -23.193 12.538 1.00 0.00 H new ATOM 0 HA SER A 18 7.564 -25.364 11.512 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.557 -26.652 12.108 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.776 -25.459 13.373 1.00 0.00 H new ATOM 0 HG SER A 18 3.587 -25.504 12.578 1.00 0.00 H new ATOM 269 N HIS A 19 5.851 -23.707 9.465 1.00 0.00 N ATOM 270 CA HIS A 19 5.434 -23.625 8.035 1.00 0.00 C ATOM 271 C HIS A 19 6.034 -22.378 7.382 1.00 0.00 C ATOM 272 O HIS A 19 6.278 -21.381 8.033 1.00 0.00 O ATOM 273 CB HIS A 19 3.908 -23.524 8.071 1.00 0.00 C ATOM 274 CG HIS A 19 3.341 -24.711 8.801 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.520 -26.010 8.352 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.591 -24.809 9.946 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.891 -26.827 9.215 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.309 -26.148 10.207 1.00 0.00 N ATOM 0 H HIS A 19 5.859 -22.818 9.965 1.00 0.00 H new ATOM 0 HA HIS A 19 5.773 -24.485 7.457 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.606 -22.601 8.567 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.512 -23.485 7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.269 -23.975 10.552 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.860 -27.902 9.118 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.773 -26.528 10.988 1.00 0.00 H new ATOM 286 N ASP A 20 6.273 -22.423 6.100 1.00 0.00 N ATOM 287 CA ASP A 20 6.852 -21.235 5.410 1.00 0.00 C ATOM 288 C ASP A 20 5.860 -20.070 5.446 1.00 0.00 C ATOM 289 O ASP A 20 4.724 -20.200 5.034 1.00 0.00 O ATOM 290 CB ASP A 20 7.093 -21.692 3.970 1.00 0.00 C ATOM 291 CG ASP A 20 8.096 -22.846 3.961 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.753 -23.043 4.971 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.192 -23.515 2.944 1.00 0.00 O ATOM 0 H ASP A 20 6.093 -23.229 5.501 1.00 0.00 H new ATOM 0 HA ASP A 20 7.769 -20.886 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.154 -22.009 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.472 -20.863 3.373 1.00 0.00 H new ATOM 298 N GLY A 21 6.276 -18.935 5.938 1.00 0.00 N ATOM 299 CA GLY A 21 5.352 -17.768 5.998 1.00 0.00 C ATOM 300 C GLY A 21 4.898 -17.548 7.443 1.00 0.00 C ATOM 301 O GLY A 21 3.988 -16.789 7.710 1.00 0.00 O ATOM 0 H GLY A 21 7.214 -18.766 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.852 -16.875 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.488 -17.942 5.357 1.00 0.00 H new ATOM 305 N ASP A 22 5.525 -18.207 8.380 1.00 0.00 N ATOM 306 CA ASP A 22 5.128 -18.034 9.807 1.00 0.00 C ATOM 307 C ASP A 22 6.169 -17.191 10.550 1.00 0.00 C ATOM 308 O ASP A 22 7.297 -17.059 10.119 1.00 0.00 O ATOM 309 CB ASP A 22 5.077 -19.451 10.379 1.00 0.00 C ATOM 310 CG ASP A 22 3.957 -20.238 9.695 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.488 -19.786 8.663 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.588 -21.278 10.213 1.00 0.00 O ATOM 0 H ASP A 22 6.294 -18.857 8.219 1.00 0.00 H new ATOM 0 HA ASP A 22 4.173 -17.519 9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.033 -19.951 10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.905 -19.414 11.455 1.00 0.00 H new ATOM 317 N LEU A 23 5.796 -16.619 11.663 1.00 0.00 N ATOM 318 CA LEU A 23 6.763 -15.784 12.434 1.00 0.00 C ATOM 319 C LEU A 23 7.028 -16.413 13.806 1.00 0.00 C ATOM 320 O LEU A 23 6.120 -16.640 14.581 1.00 0.00 O ATOM 321 CB LEU A 23 6.072 -14.428 12.588 1.00 0.00 C ATOM 322 CG LEU A 23 7.081 -13.394 13.089 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.272 -13.335 12.129 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.411 -12.019 13.155 1.00 0.00 C ATOM 0 H LEU A 23 4.864 -16.693 12.072 1.00 0.00 H new ATOM 0 HA LEU A 23 7.728 -15.697 11.935 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.654 -14.110 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.241 -14.509 13.288 1.00 0.00 H new ATOM 0 HG LEU A 23 7.429 -13.678 14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.991 -12.598 12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.749 -14.314 12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.925 -13.051 11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.129 -11.281 13.512 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.063 -11.736 12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.563 -12.060 13.838 1.00 0.00 H new ATOM 336 N GLY A 24 8.266 -16.698 14.111 1.00 0.00 N ATOM 337 CA GLY A 24 8.587 -17.314 15.430 1.00 0.00 C ATOM 338 C GLY A 24 9.201 -16.260 16.354 1.00 0.00 C ATOM 339 O GLY A 24 10.250 -16.463 16.931 1.00 0.00 O ATOM 0 H GLY A 24 9.068 -16.531 13.504 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.683 -17.725 15.880 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.281 -18.143 15.296 1.00 0.00 H new ATOM 343 N PHE A 25 8.558 -15.132 16.496 1.00 0.00 N ATOM 344 CA PHE A 25 9.106 -14.060 17.377 1.00 0.00 C ATOM 345 C PHE A 25 9.587 -14.641 18.710 1.00 0.00 C ATOM 346 O PHE A 25 9.384 -15.801 19.005 1.00 0.00 O ATOM 347 CB PHE A 25 7.939 -13.091 17.599 1.00 0.00 C ATOM 348 CG PHE A 25 6.713 -13.845 18.067 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.810 -14.371 17.133 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.473 -14.011 19.437 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.673 -15.061 17.567 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.335 -14.701 19.870 1.00 0.00 C ATOM 353 CZ PHE A 25 4.434 -15.225 18.936 1.00 0.00 C ATOM 0 H PHE A 25 7.675 -14.906 16.039 1.00 0.00 H new ATOM 0 HA PHE A 25 9.968 -13.567 16.928 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.217 -12.340 18.338 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.717 -12.560 16.673 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.992 -14.243 16.076 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.166 -13.606 20.159 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.980 -15.467 16.845 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.152 -14.829 20.927 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.555 -15.755 19.272 1.00 0.00 H new ATOM 363 N GLU A 26 10.233 -13.837 19.513 1.00 0.00 N ATOM 364 CA GLU A 26 10.739 -14.335 20.825 1.00 0.00 C ATOM 365 C GLU A 26 9.786 -13.935 21.956 1.00 0.00 C ATOM 366 O GLU A 26 8.816 -13.230 21.749 1.00 0.00 O ATOM 367 CB GLU A 26 12.096 -13.659 21.007 1.00 0.00 C ATOM 368 CG GLU A 26 13.031 -14.072 19.868 1.00 0.00 C ATOM 369 CD GLU A 26 13.227 -15.590 19.896 1.00 0.00 C ATOM 370 OE1 GLU A 26 12.912 -16.190 20.911 1.00 0.00 O ATOM 371 OE2 GLU A 26 13.688 -16.125 18.902 1.00 0.00 O ATOM 0 H GLU A 26 10.432 -12.856 19.316 1.00 0.00 H new ATOM 0 HA GLU A 26 10.815 -15.422 20.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.976 -12.576 21.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.529 -13.941 21.967 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.612 -13.766 18.910 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.992 -13.568 19.971 1.00 0.00 H new ATOM 378 N LYS A 27 10.063 -14.374 23.152 1.00 0.00 N ATOM 379 CA LYS A 27 9.183 -14.023 24.302 1.00 0.00 C ATOM 380 C LYS A 27 9.345 -12.544 24.662 1.00 0.00 C ATOM 381 O LYS A 27 10.436 -12.071 24.916 1.00 0.00 O ATOM 382 CB LYS A 27 9.664 -14.909 25.451 1.00 0.00 C ATOM 383 CG LYS A 27 8.722 -14.754 26.647 1.00 0.00 C ATOM 384 CD LYS A 27 9.232 -15.607 27.810 1.00 0.00 C ATOM 385 CE LYS A 27 8.186 -15.624 28.926 1.00 0.00 C ATOM 386 NZ LYS A 27 8.858 -14.980 30.089 1.00 0.00 N ATOM 0 H LYS A 27 10.863 -14.963 23.383 1.00 0.00 H new ATOM 0 HA LYS A 27 8.128 -14.181 24.078 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.695 -15.951 25.132 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.679 -14.633 25.736 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.666 -13.707 26.946 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.713 -15.061 26.371 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.433 -16.623 27.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.173 -15.205 28.185 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.289 -15.077 28.635 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.876 -16.642 29.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.204 -14.954 30.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.705 -15.526 30.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.135 -14.010 29.836 1.00 0.00 H new ATOM 400 N GLY A 28 8.267 -11.813 24.687 1.00 0.00 N ATOM 401 CA GLY A 28 8.355 -10.367 25.031 1.00 0.00 C ATOM 402 C GLY A 28 8.560 -9.549 23.757 1.00 0.00 C ATOM 403 O GLY A 28 8.511 -8.335 23.773 1.00 0.00 O ATOM 0 H GLY A 28 7.328 -12.154 24.484 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.445 -10.047 25.538 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.181 -10.197 25.722 1.00 0.00 H new ATOM 407 N GLU A 29 8.796 -10.200 22.650 1.00 0.00 N ATOM 408 CA GLU A 29 9.010 -9.451 21.379 1.00 0.00 C ATOM 409 C GLU A 29 7.754 -8.656 21.011 1.00 0.00 C ATOM 410 O GLU A 29 6.654 -9.170 21.031 1.00 0.00 O ATOM 411 CB GLU A 29 9.294 -10.522 20.327 1.00 0.00 C ATOM 412 CG GLU A 29 9.901 -9.868 19.085 1.00 0.00 C ATOM 413 CD GLU A 29 10.004 -10.901 17.961 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.784 -11.827 18.104 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.300 -10.748 16.976 1.00 0.00 O ATOM 0 H GLU A 29 8.850 -11.216 22.571 1.00 0.00 H new ATOM 0 HA GLU A 29 9.826 -8.733 21.459 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.978 -11.269 20.729 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.373 -11.042 20.064 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.284 -9.028 18.765 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.888 -9.468 19.317 1.00 0.00 H new ATOM 422 N GLN A 30 7.911 -7.407 20.669 1.00 0.00 N ATOM 423 CA GLN A 30 6.727 -6.582 20.293 1.00 0.00 C ATOM 424 C GLN A 30 6.321 -6.884 18.849 1.00 0.00 C ATOM 425 O GLN A 30 7.141 -6.887 17.953 1.00 0.00 O ATOM 426 CB GLN A 30 7.193 -5.131 20.427 1.00 0.00 C ATOM 427 CG GLN A 30 7.497 -4.825 21.895 1.00 0.00 C ATOM 428 CD GLN A 30 7.960 -3.373 22.028 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.157 -2.693 21.040 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.143 -2.865 23.216 1.00 0.00 N ATOM 0 H GLN A 30 8.807 -6.922 20.633 1.00 0.00 H new ATOM 0 HA GLN A 30 5.860 -6.788 20.921 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.082 -4.966 19.819 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.423 -4.455 20.056 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.608 -4.992 22.504 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.269 -5.499 22.266 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.978 -3.435 24.045 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.451 -1.898 23.315 1.00 0.00 H new ATOM 439 N LEU A 31 5.065 -7.144 18.616 1.00 0.00 N ATOM 440 CA LEU A 31 4.617 -7.450 17.227 1.00 0.00 C ATOM 441 C LEU A 31 3.393 -6.608 16.861 1.00 0.00 C ATOM 442 O LEU A 31 2.596 -6.251 17.706 1.00 0.00 O ATOM 443 CB LEU A 31 4.255 -8.936 17.244 1.00 0.00 C ATOM 444 CG LEU A 31 5.345 -9.722 17.976 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.880 -11.165 18.180 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.628 -9.713 17.143 1.00 0.00 C ATOM 0 H LEU A 31 4.331 -7.158 19.324 1.00 0.00 H new ATOM 0 HA LEU A 31 5.388 -7.224 16.490 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.294 -9.081 17.738 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.148 -9.306 16.224 1.00 0.00 H new ATOM 0 HG LEU A 31 5.538 -9.261 18.944 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.655 -11.727 18.701 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.966 -11.172 18.773 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.688 -11.626 17.211 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.404 -10.273 17.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.436 -10.175 16.174 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.959 -8.685 16.996 1.00 0.00 H new ATOM 458 N ARG A 32 3.237 -6.297 15.605 1.00 0.00 N ATOM 459 CA ARG A 32 2.064 -5.487 15.175 1.00 0.00 C ATOM 460 C ARG A 32 0.997 -6.403 14.568 1.00 0.00 C ATOM 461 O ARG A 32 1.297 -7.286 13.791 1.00 0.00 O ATOM 462 CB ARG A 32 2.612 -4.525 14.119 1.00 0.00 C ATOM 463 CG ARG A 32 1.451 -3.917 13.330 1.00 0.00 C ATOM 464 CD ARG A 32 1.999 -2.905 12.320 1.00 0.00 C ATOM 465 NE ARG A 32 0.823 -2.076 11.935 1.00 0.00 N ATOM 466 CZ ARG A 32 0.991 -1.002 11.213 1.00 0.00 C ATOM 467 NH1 ARG A 32 2.081 -0.852 10.512 1.00 0.00 N ATOM 468 NH2 ARG A 32 0.068 -0.080 11.191 1.00 0.00 N ATOM 0 H ARG A 32 3.873 -6.570 14.856 1.00 0.00 H new ATOM 0 HA ARG A 32 1.597 -4.954 16.003 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.193 -3.736 14.597 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.286 -5.054 13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.898 -4.701 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.752 -3.428 14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.787 -2.294 12.760 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.431 -3.405 11.453 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.113 -2.348 12.236 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.801 -1.574 10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.213 -0.013 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.785 -0.199 11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.199 0.760 10.627 1.00 0.00 H new ATOM 482 N ILE A 33 -0.244 -6.205 14.919 1.00 0.00 N ATOM 483 CA ILE A 33 -1.321 -7.073 14.361 1.00 0.00 C ATOM 484 C ILE A 33 -1.756 -6.562 12.984 1.00 0.00 C ATOM 485 O ILE A 33 -2.079 -5.402 12.815 1.00 0.00 O ATOM 486 CB ILE A 33 -2.473 -6.969 15.361 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.937 -7.176 16.780 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.516 -8.043 15.050 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.109 -7.251 17.761 1.00 0.00 C ATOM 0 H ILE A 33 -0.559 -5.482 15.566 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.991 -8.103 14.226 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.932 -5.983 15.285 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.349 -8.093 16.828 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.272 -6.356 17.053 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.338 -7.969 15.763 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.898 -7.898 14.040 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.057 -9.029 15.126 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.729 -7.398 18.772 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.678 -6.322 17.719 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.756 -8.086 17.492 1.00 0.00 H new ATOM 501 N LEU A 34 -1.768 -7.419 12.000 1.00 0.00 N ATOM 502 CA LEU A 34 -2.184 -6.983 10.636 1.00 0.00 C ATOM 503 C LEU A 34 -3.570 -7.541 10.302 1.00 0.00 C ATOM 504 O LEU A 34 -4.336 -6.939 9.576 1.00 0.00 O ATOM 505 CB LEU A 34 -1.132 -7.567 9.693 1.00 0.00 C ATOM 506 CG LEU A 34 0.255 -7.063 10.096 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.297 -7.593 9.109 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.268 -5.533 10.079 1.00 0.00 C ATOM 0 H LEU A 34 -1.508 -8.402 12.081 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.249 -5.898 10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.159 -8.656 9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.350 -7.278 8.665 1.00 0.00 H new ATOM 0 HG LEU A 34 0.492 -7.417 11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.285 -7.234 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.289 -8.683 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.060 -7.240 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.256 -5.174 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.031 -5.178 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.474 -5.155 10.783 1.00 0.00 H new ATOM 520 N GLU A 35 -3.897 -8.691 10.827 1.00 0.00 N ATOM 521 CA GLU A 35 -5.233 -9.288 10.540 1.00 0.00 C ATOM 522 C GLU A 35 -5.771 -10.002 11.783 1.00 0.00 C ATOM 523 O GLU A 35 -5.020 -10.453 12.625 1.00 0.00 O ATOM 524 CB GLU A 35 -4.985 -10.289 9.411 1.00 0.00 C ATOM 525 CG GLU A 35 -4.403 -9.558 8.199 1.00 0.00 C ATOM 526 CD GLU A 35 -4.268 -10.536 7.030 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.451 -11.722 7.251 1.00 0.00 O ATOM 528 OE2 GLU A 35 -3.983 -10.082 5.934 1.00 0.00 O ATOM 0 H GLU A 35 -3.298 -9.242 11.441 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.971 -8.535 10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.298 -11.067 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.917 -10.783 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.049 -8.726 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.429 -9.136 8.448 1.00 0.00 H new ATOM 535 N GLN A 36 -7.065 -10.109 11.905 1.00 0.00 N ATOM 536 CA GLN A 36 -7.648 -10.794 13.093 1.00 0.00 C ATOM 537 C GLN A 36 -8.821 -11.681 12.670 1.00 0.00 C ATOM 538 O GLN A 36 -9.916 -11.570 13.187 1.00 0.00 O ATOM 539 CB GLN A 36 -8.128 -9.667 14.007 1.00 0.00 C ATOM 540 CG GLN A 36 -6.944 -8.771 14.378 1.00 0.00 C ATOM 541 CD GLN A 36 -7.445 -7.568 15.179 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.590 -7.179 15.060 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.631 -6.959 15.997 1.00 0.00 N ATOM 0 H GLN A 36 -7.744 -9.752 11.233 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.926 -11.441 13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.898 -9.081 13.506 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.580 -10.082 14.908 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.218 -9.334 14.964 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.433 -8.434 13.476 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.670 -7.285 16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.956 -6.157 16.536 1.00 0.00 H new ATOM 552 N SER A 37 -8.601 -12.562 11.734 1.00 0.00 N ATOM 553 CA SER A 37 -9.702 -13.458 11.277 1.00 0.00 C ATOM 554 C SER A 37 -9.302 -14.923 11.469 1.00 0.00 C ATOM 555 O SER A 37 -8.205 -15.326 11.138 1.00 0.00 O ATOM 556 CB SER A 37 -9.880 -13.142 9.791 1.00 0.00 C ATOM 557 OG SER A 37 -10.340 -11.807 9.643 1.00 0.00 O ATOM 0 H SER A 37 -7.706 -12.701 11.265 1.00 0.00 H new ATOM 0 HA SER A 37 -10.623 -13.302 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.934 -13.273 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.592 -13.835 9.344 1.00 0.00 H new ATOM 0 HG SER A 37 -10.453 -11.603 8.691 1.00 0.00 H new ATOM 563 N GLY A 38 -10.184 -15.723 12.002 1.00 0.00 N ATOM 564 CA GLY A 38 -9.852 -17.160 12.216 1.00 0.00 C ATOM 565 C GLY A 38 -9.110 -17.320 13.544 1.00 0.00 C ATOM 566 O GLY A 38 -8.996 -16.390 14.318 1.00 0.00 O ATOM 0 H GLY A 38 -11.119 -15.444 12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.763 -17.758 12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.235 -17.528 11.396 1.00 0.00 H new ATOM 570 N GLU A 39 -8.605 -18.492 13.815 1.00 0.00 N ATOM 571 CA GLU A 39 -7.871 -18.709 15.095 1.00 0.00 C ATOM 572 C GLU A 39 -6.490 -18.051 15.030 1.00 0.00 C ATOM 573 O GLU A 39 -5.984 -17.550 16.015 1.00 0.00 O ATOM 574 CB GLU A 39 -7.735 -20.226 15.221 1.00 0.00 C ATOM 575 CG GLU A 39 -9.128 -20.856 15.311 1.00 0.00 C ATOM 576 CD GLU A 39 -8.996 -22.380 15.351 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.911 -22.869 15.082 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.983 -23.032 15.649 1.00 0.00 O ATOM 0 H GLU A 39 -8.668 -19.308 13.207 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.391 -18.274 15.948 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.198 -20.627 14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.152 -20.478 16.107 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.642 -20.501 16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.731 -20.555 14.455 1.00 0.00 H new ATOM 585 N TRP A 40 -5.878 -18.044 13.877 1.00 0.00 N ATOM 586 CA TRP A 40 -4.533 -17.416 13.750 1.00 0.00 C ATOM 587 C TRP A 40 -4.668 -15.988 13.213 1.00 0.00 C ATOM 588 O TRP A 40 -5.532 -15.697 12.411 1.00 0.00 O ATOM 589 CB TRP A 40 -3.777 -18.291 12.750 1.00 0.00 C ATOM 590 CG TRP A 40 -3.540 -19.642 13.344 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.462 -20.629 13.422 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.322 -20.172 13.942 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.887 -21.731 14.029 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.570 -21.499 14.369 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.038 -19.636 14.155 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.579 -22.265 14.984 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.040 -20.405 14.773 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.310 -21.718 15.187 1.00 0.00 C ATOM 0 H TRP A 40 -6.252 -18.446 13.017 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.016 -17.352 14.707 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.350 -18.384 11.827 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.826 -17.825 12.490 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.480 -20.567 13.068 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.377 -22.608 14.204 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.819 -18.626 13.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.792 -23.275 15.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.942 -19.984 14.931 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.462 -22.305 15.662 1.00 0.00 H new ATOM 609 N TRP A 41 -3.818 -15.097 13.646 1.00 0.00 N ATOM 610 CA TRP A 41 -3.899 -13.690 13.156 1.00 0.00 C ATOM 611 C TRP A 41 -2.586 -13.295 12.474 1.00 0.00 C ATOM 612 O TRP A 41 -1.535 -13.825 12.774 1.00 0.00 O ATOM 613 CB TRP A 41 -4.122 -12.842 14.408 1.00 0.00 C ATOM 614 CG TRP A 41 -5.471 -13.134 14.982 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.495 -13.712 14.311 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.961 -12.873 16.329 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.580 -13.824 15.161 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.301 -13.320 16.416 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.378 -12.298 17.473 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.037 -13.201 17.596 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.117 -12.176 18.662 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.442 -12.627 18.724 1.00 0.00 C ATOM 0 H TRP A 41 -3.072 -15.281 14.317 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.696 -13.554 12.425 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.349 -13.055 15.146 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.043 -11.783 14.161 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.469 -14.033 13.280 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.477 -14.229 14.894 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.357 -11.948 17.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.058 -13.550 17.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.660 -11.732 19.534 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.003 -12.532 19.642 1.00 0.00 H new ATOM 633 N LYS A 42 -2.636 -12.361 11.564 1.00 0.00 N ATOM 634 CA LYS A 42 -1.388 -11.928 10.874 1.00 0.00 C ATOM 635 C LYS A 42 -0.742 -10.777 11.648 1.00 0.00 C ATOM 636 O LYS A 42 -1.420 -9.941 12.213 1.00 0.00 O ATOM 637 CB LYS A 42 -1.838 -11.458 9.491 1.00 0.00 C ATOM 638 CG LYS A 42 -0.609 -11.173 8.626 1.00 0.00 C ATOM 639 CD LYS A 42 -1.052 -10.591 7.282 1.00 0.00 C ATOM 640 CE LYS A 42 0.148 -10.523 6.337 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.445 -10.380 4.977 1.00 0.00 N ATOM 0 H LYS A 42 -3.486 -11.880 11.269 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.650 -12.728 10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.459 -12.220 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.449 -10.560 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.053 -10.474 9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.042 -12.091 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.837 -11.209 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.473 -9.596 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.794 -9.678 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.760 -11.422 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.316 -10.326 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.049 -11.202 4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.016 -9.512 4.937 1.00 0.00 H new ATOM 655 N ALA A 43 0.562 -10.724 11.684 1.00 0.00 N ATOM 656 CA ALA A 43 1.233 -9.622 12.430 1.00 0.00 C ATOM 657 C ALA A 43 2.567 -9.260 11.772 1.00 0.00 C ATOM 658 O ALA A 43 3.046 -9.946 10.890 1.00 0.00 O ATOM 659 CB ALA A 43 1.464 -10.181 13.835 1.00 0.00 C ATOM 0 H ALA A 43 1.188 -11.391 11.232 1.00 0.00 H new ATOM 0 HA ALA A 43 0.633 -8.712 12.442 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.956 -9.428 14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.506 -10.446 14.283 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.094 -11.068 13.774 1.00 0.00 H new ATOM 665 N GLN A 44 3.172 -8.186 12.202 1.00 0.00 N ATOM 666 CA GLN A 44 4.477 -7.772 11.612 1.00 0.00 C ATOM 667 C GLN A 44 5.425 -7.311 12.721 1.00 0.00 C ATOM 668 O GLN A 44 5.007 -6.744 13.712 1.00 0.00 O ATOM 669 CB GLN A 44 4.142 -6.612 10.674 1.00 0.00 C ATOM 670 CG GLN A 44 5.424 -6.116 10.002 1.00 0.00 C ATOM 671 CD GLN A 44 5.142 -4.804 9.268 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.014 -4.353 9.216 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.126 -4.167 8.694 1.00 0.00 N ATOM 0 H GLN A 44 2.818 -7.576 12.939 1.00 0.00 H new ATOM 0 HA GLN A 44 4.972 -8.587 11.084 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.424 -6.935 9.920 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.674 -5.801 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.204 -5.967 10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.793 -6.865 9.301 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.072 -4.545 8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.949 -3.291 8.202 1.00 0.00 H new ATOM 682 N SER A 45 6.699 -7.552 12.569 1.00 0.00 N ATOM 683 CA SER A 45 7.665 -7.129 13.622 1.00 0.00 C ATOM 684 C SER A 45 7.920 -5.622 13.537 1.00 0.00 C ATOM 685 O SER A 45 7.998 -5.055 12.465 1.00 0.00 O ATOM 686 CB SER A 45 8.945 -7.907 13.319 1.00 0.00 C ATOM 687 OG SER A 45 8.672 -9.301 13.351 1.00 0.00 O ATOM 0 H SER A 45 7.112 -8.022 11.763 1.00 0.00 H new ATOM 0 HA SER A 45 7.293 -7.329 14.627 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.332 -7.624 12.340 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.715 -7.660 14.050 1.00 0.00 H new ATOM 0 HG SER A 45 9.493 -9.800 13.155 1.00 0.00 H new ATOM 693 N LEU A 46 8.055 -4.972 14.660 1.00 0.00 N ATOM 694 CA LEU A 46 8.310 -3.504 14.644 1.00 0.00 C ATOM 695 C LEU A 46 9.815 -3.239 14.577 1.00 0.00 C ATOM 696 O LEU A 46 10.252 -2.161 14.227 1.00 0.00 O ATOM 697 CB LEU A 46 7.735 -2.985 15.963 1.00 0.00 C ATOM 698 CG LEU A 46 6.290 -3.467 16.115 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.790 -3.135 17.522 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.408 -2.766 15.081 1.00 0.00 C ATOM 0 H LEU A 46 8.000 -5.393 15.587 1.00 0.00 H new ATOM 0 HA LEU A 46 7.856 -3.013 13.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.338 -3.340 16.799 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.770 -1.896 15.984 1.00 0.00 H new ATOM 0 HG LEU A 46 6.246 -4.545 15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.761 -3.477 17.633 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.420 -3.634 18.259 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.833 -2.057 17.678 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.379 -3.109 15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.450 -1.688 15.238 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.766 -3.001 14.079 1.00 0.00 H new ATOM 712 N THR A 47 10.611 -4.217 14.913 1.00 0.00 N ATOM 713 CA THR A 47 12.088 -4.024 14.872 1.00 0.00 C ATOM 714 C THR A 47 12.690 -4.769 13.677 1.00 0.00 C ATOM 715 O THR A 47 13.696 -4.366 13.128 1.00 0.00 O ATOM 716 CB THR A 47 12.602 -4.615 16.186 1.00 0.00 C ATOM 717 OG1 THR A 47 12.143 -5.954 16.313 1.00 0.00 O ATOM 718 CG2 THR A 47 12.085 -3.783 17.360 1.00 0.00 C ATOM 0 H THR A 47 10.302 -5.141 15.214 1.00 0.00 H new ATOM 0 HA THR A 47 12.362 -2.975 14.761 1.00 0.00 H new ATOM 0 HB THR A 47 13.692 -4.602 16.188 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.473 -6.335 17.154 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.452 -4.206 18.295 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.439 -2.757 17.262 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.995 -3.793 17.361 1.00 0.00 H new ATOM 726 N THR A 48 12.089 -5.855 13.270 1.00 0.00 N ATOM 727 CA THR A 48 12.641 -6.618 12.114 1.00 0.00 C ATOM 728 C THR A 48 11.999 -6.146 10.807 1.00 0.00 C ATOM 729 O THR A 48 12.567 -6.285 9.742 1.00 0.00 O ATOM 730 CB THR A 48 12.276 -8.078 12.394 1.00 0.00 C ATOM 731 OG1 THR A 48 12.391 -8.334 13.786 1.00 0.00 O ATOM 732 CG2 THR A 48 13.225 -8.997 11.624 1.00 0.00 C ATOM 0 H THR A 48 11.243 -6.245 13.686 1.00 0.00 H new ATOM 0 HA THR A 48 13.716 -6.478 12.005 1.00 0.00 H new ATOM 0 HB THR A 48 11.251 -8.266 12.074 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.156 -9.268 13.967 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.966 -10.037 11.823 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.136 -8.799 10.556 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.250 -8.811 11.944 1.00 0.00 H new ATOM 740 N GLY A 49 10.822 -5.589 10.877 1.00 0.00 N ATOM 741 CA GLY A 49 10.151 -5.112 9.636 1.00 0.00 C ATOM 742 C GLY A 49 9.729 -6.316 8.791 1.00 0.00 C ATOM 743 O GLY A 49 9.942 -6.354 7.596 1.00 0.00 O ATOM 0 H GLY A 49 10.296 -5.444 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.279 -4.509 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.826 -4.473 9.067 1.00 0.00 H new ATOM 747 N GLN A 50 9.129 -7.299 9.404 1.00 0.00 N ATOM 748 CA GLN A 50 8.690 -8.500 8.637 1.00 0.00 C ATOM 749 C GLN A 50 7.263 -8.886 9.031 1.00 0.00 C ATOM 750 O GLN A 50 6.784 -8.529 10.089 1.00 0.00 O ATOM 751 CB GLN A 50 9.670 -9.606 9.027 1.00 0.00 C ATOM 752 CG GLN A 50 10.905 -9.534 8.127 1.00 0.00 C ATOM 753 CD GLN A 50 11.925 -10.582 8.576 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.745 -11.225 9.591 1.00 0.00 O ATOM 755 NE2 GLN A 50 12.997 -10.781 7.858 1.00 0.00 N ATOM 0 H GLN A 50 8.924 -7.323 10.403 1.00 0.00 H new ATOM 0 HA GLN A 50 8.687 -8.321 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.961 -9.497 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.192 -10.581 8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.622 -9.708 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.346 -8.538 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.148 -10.241 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.684 -11.477 8.149 1.00 0.00 H new ATOM 764 N GLU A 51 6.584 -9.614 8.191 1.00 0.00 N ATOM 765 CA GLU A 51 5.189 -10.023 8.518 1.00 0.00 C ATOM 766 C GLU A 51 5.076 -11.549 8.529 1.00 0.00 C ATOM 767 O GLU A 51 5.700 -12.232 7.743 1.00 0.00 O ATOM 768 CB GLU A 51 4.329 -9.428 7.404 1.00 0.00 C ATOM 769 CG GLU A 51 4.536 -7.913 7.353 1.00 0.00 C ATOM 770 CD GLU A 51 3.706 -7.322 6.212 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.174 -8.094 5.431 1.00 0.00 O ATOM 772 OE2 GLU A 51 3.614 -6.107 6.139 1.00 0.00 O ATOM 0 H GLU A 51 6.934 -9.944 7.292 1.00 0.00 H new ATOM 0 HA GLU A 51 4.876 -9.674 9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.596 -9.875 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.278 -9.656 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.242 -7.463 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.591 -7.684 7.205 1.00 0.00 H new ATOM 779 N GLY A 52 4.285 -12.089 9.415 1.00 0.00 N ATOM 780 CA GLY A 52 4.134 -13.569 9.475 1.00 0.00 C ATOM 781 C GLY A 52 2.887 -13.924 10.285 1.00 0.00 C ATOM 782 O GLY A 52 2.418 -13.148 11.094 1.00 0.00 O ATOM 0 H GLY A 52 3.737 -11.569 10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.054 -13.978 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.017 -14.017 9.932 1.00 0.00 H new ATOM 786 N PHE A 53 2.345 -15.092 10.075 1.00 0.00 N ATOM 787 CA PHE A 53 1.128 -15.496 10.835 1.00 0.00 C ATOM 788 C PHE A 53 1.484 -15.727 12.305 1.00 0.00 C ATOM 789 O PHE A 53 2.533 -16.249 12.625 1.00 0.00 O ATOM 790 CB PHE A 53 0.664 -16.799 10.183 1.00 0.00 C ATOM 791 CG PHE A 53 0.152 -16.514 8.791 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.114 -15.943 8.613 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.944 -16.821 7.678 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.588 -15.680 7.322 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.470 -16.558 6.388 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.797 -15.987 6.209 1.00 0.00 C ATOM 0 H PHE A 53 2.692 -15.784 9.411 1.00 0.00 H new ATOM 0 HA PHE A 53 0.350 -14.733 10.809 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.489 -17.510 10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.121 -17.259 10.783 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.725 -15.705 9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.921 -17.261 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.565 -15.240 7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.081 -16.795 5.530 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.163 -15.784 5.213 1.00 0.00 H new ATOM 806 N ILE A 54 0.617 -15.345 13.201 1.00 0.00 N ATOM 807 CA ILE A 54 0.908 -15.546 14.649 1.00 0.00 C ATOM 808 C ILE A 54 -0.333 -16.090 15.364 1.00 0.00 C ATOM 809 O ILE A 54 -1.447 -15.749 15.020 1.00 0.00 O ATOM 810 CB ILE A 54 1.272 -14.158 15.179 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.078 -13.214 15.015 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.464 -13.609 14.391 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.178 -12.483 16.334 1.00 0.00 C ATOM 0 H ILE A 54 -0.279 -14.903 12.994 1.00 0.00 H new ATOM 0 HA ILE A 54 1.711 -16.265 14.815 1.00 0.00 H new ATOM 0 HB ILE A 54 1.533 -14.232 16.235 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.276 -12.495 14.220 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.807 -13.778 14.721 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.725 -12.620 14.768 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.317 -14.278 14.508 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.201 -13.538 13.336 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.028 -11.811 16.218 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.394 -13.210 17.117 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.706 -11.907 16.608 1.00 0.00 H new ATOM 825 N PRO A 55 -0.094 -16.922 16.339 1.00 0.00 N ATOM 826 CA PRO A 55 -1.241 -17.496 17.087 1.00 0.00 C ATOM 827 C PRO A 55 -1.871 -16.427 17.984 1.00 0.00 C ATOM 828 O PRO A 55 -1.277 -15.403 18.257 1.00 0.00 O ATOM 829 CB PRO A 55 -0.622 -18.615 17.916 1.00 0.00 C ATOM 830 CG PRO A 55 0.810 -18.231 18.072 1.00 0.00 C ATOM 831 CD PRO A 55 1.186 -17.432 16.851 1.00 0.00 C ATOM 0 HA PRO A 55 -2.037 -17.860 16.437 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.114 -18.707 18.884 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.720 -19.578 17.415 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.955 -17.643 18.978 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.439 -19.116 18.163 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.866 -16.618 17.103 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.691 -18.052 16.111 1.00 0.00 H new ATOM 839 N PHE A 56 -3.073 -16.653 18.435 1.00 0.00 N ATOM 840 CA PHE A 56 -3.745 -15.643 19.302 1.00 0.00 C ATOM 841 C PHE A 56 -3.400 -15.871 20.778 1.00 0.00 C ATOM 842 O PHE A 56 -3.802 -15.110 21.637 1.00 0.00 O ATOM 843 CB PHE A 56 -5.241 -15.856 19.064 1.00 0.00 C ATOM 844 CG PHE A 56 -5.689 -17.121 19.759 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.571 -18.355 19.111 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.223 -17.057 21.051 1.00 0.00 C ATOM 847 CE1 PHE A 56 -5.987 -19.527 19.755 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.640 -18.229 21.695 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.522 -19.463 21.047 1.00 0.00 C ATOM 0 H PHE A 56 -3.620 -17.492 18.242 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.427 -14.628 19.064 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.805 -15.003 19.441 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.443 -15.925 17.995 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.159 -18.404 18.114 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.314 -16.104 21.551 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.895 -20.480 19.255 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.053 -18.180 22.692 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.844 -20.367 21.544 1.00 0.00 H new ATOM 859 N ASN A 57 -2.672 -16.908 21.089 1.00 0.00 N ATOM 860 CA ASN A 57 -2.327 -17.168 22.518 1.00 0.00 C ATOM 861 C ASN A 57 -0.920 -16.656 22.847 1.00 0.00 C ATOM 862 O ASN A 57 -0.621 -16.330 23.978 1.00 0.00 O ATOM 863 CB ASN A 57 -2.387 -18.689 22.664 1.00 0.00 C ATOM 864 CG ASN A 57 -3.833 -19.121 22.917 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.615 -18.375 23.471 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.223 -20.305 22.529 1.00 0.00 N ATOM 0 H ASN A 57 -2.302 -17.584 20.421 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.008 -16.656 23.198 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.006 -19.167 21.761 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.751 -19.011 23.488 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.185 -20.604 22.691 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.566 -20.931 22.064 1.00 0.00 H new ATOM 873 N PHE A 58 -0.050 -16.584 21.875 1.00 0.00 N ATOM 874 CA PHE A 58 1.334 -16.096 22.156 1.00 0.00 C ATOM 875 C PHE A 58 1.362 -14.567 22.188 1.00 0.00 C ATOM 876 O PHE A 58 2.339 -13.965 22.587 1.00 0.00 O ATOM 877 CB PHE A 58 2.192 -16.616 21.003 1.00 0.00 C ATOM 878 CG PHE A 58 2.356 -18.112 21.124 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.277 -18.964 20.854 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.592 -18.650 21.504 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.434 -20.351 20.966 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.749 -20.036 21.615 1.00 0.00 C ATOM 883 CZ PHE A 58 2.669 -20.887 21.347 1.00 0.00 C ATOM 0 H PHE A 58 -0.235 -16.840 20.905 1.00 0.00 H new ATOM 0 HA PHE A 58 1.697 -16.445 23.123 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.726 -16.368 20.050 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.168 -16.131 21.016 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.324 -18.551 20.559 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.425 -17.994 21.712 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.602 -21.007 20.758 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.703 -20.450 21.907 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.790 -21.957 21.434 1.00 0.00 H new ATOM 893 N VAL A 59 0.303 -13.933 21.769 1.00 0.00 N ATOM 894 CA VAL A 59 0.280 -12.443 21.777 1.00 0.00 C ATOM 895 C VAL A 59 -1.007 -11.936 22.432 1.00 0.00 C ATOM 896 O VAL A 59 -2.067 -12.505 22.266 1.00 0.00 O ATOM 897 CB VAL A 59 0.328 -12.039 20.303 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.584 -12.624 19.654 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.912 -12.576 19.587 1.00 0.00 C ATOM 0 H VAL A 59 -0.546 -14.380 21.422 1.00 0.00 H new ATOM 0 HA VAL A 59 1.110 -12.020 22.343 1.00 0.00 H new ATOM 0 HB VAL A 59 0.351 -10.952 20.225 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.618 -12.336 18.603 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.469 -12.242 20.164 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.561 -13.711 19.732 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.879 -12.288 18.536 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.935 -13.663 19.665 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.807 -12.160 20.049 1.00 0.00 H new ATOM 909 N ALA A 60 -0.923 -10.865 23.176 1.00 0.00 N ATOM 910 CA ALA A 60 -2.142 -10.322 23.841 1.00 0.00 C ATOM 911 C ALA A 60 -2.249 -8.815 23.595 1.00 0.00 C ATOM 912 O ALA A 60 -1.285 -8.164 23.241 1.00 0.00 O ATOM 913 CB ALA A 60 -1.944 -10.610 25.328 1.00 0.00 C ATOM 0 H ALA A 60 -0.064 -10.344 23.351 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.058 -10.773 23.458 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.802 -10.239 25.888 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.848 -11.685 25.481 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.040 -10.112 25.678 1.00 0.00 H new ATOM 919 N LYS A 61 -3.413 -8.255 23.781 1.00 0.00 N ATOM 920 CA LYS A 61 -3.580 -6.790 23.557 1.00 0.00 C ATOM 921 C LYS A 61 -2.996 -6.004 24.734 1.00 0.00 C ATOM 922 O LYS A 61 -3.325 -6.246 25.878 1.00 0.00 O ATOM 923 CB LYS A 61 -5.091 -6.575 23.464 1.00 0.00 C ATOM 924 CG LYS A 61 -5.610 -7.183 22.159 1.00 0.00 C ATOM 925 CD LYS A 61 -7.094 -6.850 21.996 1.00 0.00 C ATOM 926 CE LYS A 61 -7.655 -7.602 20.789 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.097 -8.918 21.329 1.00 0.00 N ATOM 0 H LYS A 61 -4.255 -8.748 24.078 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.063 -6.447 22.661 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.589 -7.037 24.317 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.321 -5.510 23.499 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.044 -6.793 21.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.468 -8.264 22.167 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.641 -7.127 22.897 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.224 -5.776 21.862 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.487 -7.061 20.338 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.898 -7.727 20.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.495 -9.493 20.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.283 -9.413 21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.822 -8.768 22.059 1.00 0.00 H new ATOM 941 N ALA A 62 -2.134 -5.063 24.461 1.00 0.00 N ATOM 942 CA ALA A 62 -1.532 -4.262 25.563 1.00 0.00 C ATOM 943 C ALA A 62 -2.613 -3.436 26.266 1.00 0.00 C ATOM 944 O ALA A 62 -2.583 -3.249 27.467 1.00 0.00 O ATOM 945 CB ALA A 62 -0.517 -3.346 24.879 1.00 0.00 C ATOM 0 H ALA A 62 -1.821 -4.815 23.523 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.066 -4.889 26.323 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.029 -2.721 25.627 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.231 -3.951 24.367 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.029 -2.712 24.155 1.00 0.00 H new ATOM 951 N ASN A 63 -3.568 -2.943 25.527 1.00 0.00 N ATOM 952 CA ASN A 63 -4.652 -2.132 26.151 1.00 0.00 C ATOM 953 C ASN A 63 -5.862 -3.017 26.460 1.00 0.00 C ATOM 954 O ASN A 63 -5.672 -4.051 27.078 1.00 0.00 O ATOM 955 CB ASN A 63 -5.011 -1.079 25.103 1.00 0.00 C ATOM 956 CG ASN A 63 -5.773 -1.741 23.954 1.00 0.00 C ATOM 957 OD1 ASN A 63 -5.831 -2.952 23.866 1.00 0.00 O ATOM 958 ND2 ASN A 63 -6.363 -0.994 23.061 1.00 0.00 N ATOM 959 OXT ASN A 63 -6.958 -2.645 26.073 1.00 0.00 O ATOM 0 H ASN A 63 -3.645 -3.067 24.517 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.341 -1.680 27.093 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.620 -0.295 25.553 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.106 -0.602 24.726 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.872 -1.426 22.290 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.315 0.022 23.134 1.00 0.00 H new TER 966 ASN A 63