USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 935 hydrogens (29 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 NoAdj-H: B 6 PTR HN2 : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 6 PTR H : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 10 PTR HN2 : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA HE2 : B 14 GMA OE2 : B 14 GMA CD :(short bond) USER MOD NoAdj-H: B 14 GMA H2 : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD Set 1.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 ASN : amide:sc= -1.93! C(o=-1.9!,f=-6!) USER MOD Set 2.1: A 8 SER OG : rot -166:sc= 0.0429 USER MOD Set 2.2: A 82 SER OG : rot 66:sc= -0.0811! USER MOD Set 3.1: A 54 LYS NZ :NH3+ 161:sc= 0.572! (180deg=-0.711) USER MOD Set 3.2: A 90 TYR OH : rot 108:sc= 1.94 USER MOD Set 4.1: A 26 MET CE :methyl -133:sc= -6.06! (180deg=-7.19!) USER MOD Set 4.2: A 57 HIS : no HE2:sc= -0.24 K(o=-6.3,f=-13!) USER MOD Set 5.1: A 12 TYR OH : rot 30:sc= 1.13 USER MOD Set 5.2: A 15 SER OG : rot 141:sc= 1.06 USER MOD Set 6.1: A 2 SER OG : rot 72:sc= 0.396 USER MOD Set 6.2: A 6 HIS : no HE2:sc= 0.289! C(o=0.69!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00963 (180deg=-0.00116) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= 1.64 (180deg=-2.18!) USER MOD Single : A 13 HIS : no HE2:sc= -3.15! C(o=-3.2!,f=-9.3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 20 GLN : amide:sc= -0.724! C(o=-0.72!,f=-8.3!) USER MOD Single : A 23 HIS : no HE2:sc= 0.221 K(o=0.22,f=-4.1!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= 1.79! (180deg=-2.09!) USER MOD Single : A 40 ASN : amide:sc= 0.329 X(o=0.33,f=-0.098) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 108:sc= -6.71! USER MOD Single : A 45 TYR OH : rot 115:sc= 0.662 USER MOD Single : A 48 SER OG : rot 85:sc= 0.562 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 1.5 (180deg=0.624) USER MOD Single : A 58 CYS SG : rot -12:sc= -4.83! USER MOD Single : A 61 GLN : amide:sc= -0.389 K(o=-0.39,f=-2.9) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 66 THR OG1 : rot -24:sc= 0.69 USER MOD Single : A 68 MET CE :methyl 174:sc= 0 (180deg=-0.0426) USER MOD Single : A 71 ASN : amide:sc= 0.556 K(o=0.56,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= -0.15 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 8:sc= 0.622 USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0.719 (180deg=0.466) USER MOD Single : A 87 HIS : no HE2:sc= 0.313 K(o=0.31,f=-2.1!) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= -0.433! (180deg=-0.588!) USER MOD Single : A 93 MET CE :methyl -132:sc= -1.31 (180deg=-3.01!) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 1.7 (180deg=-0.161) USER MOD Single : A 103 ASN : amide:sc= 0.881 K(o=0.88,f=-0.061) USER MOD Single : A 104 SER OG : rot 105:sc= 1.22 USER MOD Single : A 105 SER OG : rot 71:sc= 1.11 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : B 8 SER OG : rot 90:sc= 1.18 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE B 1 6.936 -9.879 -11.739 1.00 0.00 C HETATM 2 O ACE B 1 7.845 -10.073 -10.958 1.00 0.00 O HETATM 3 CH3 ACE B 1 5.784 -10.875 -11.866 1.00 0.00 C HETATM 0 H1 ACE B 1 4.845 -10.377 -11.625 1.00 0.00 H new HETATM 0 H2 ACE B 1 5.742 -11.254 -12.887 1.00 0.00 H new HETATM 0 H3 ACE B 1 5.943 -11.705 -11.177 1.00 0.00 H new ATOM 7 N ASP B 2 6.903 -8.818 -12.506 1.00 0.00 N ATOM 8 CA ASP B 2 7.998 -7.797 -12.441 1.00 0.00 C ATOM 9 C ASP B 2 7.501 -6.513 -11.744 1.00 0.00 C ATOM 10 O ASP B 2 6.639 -6.554 -10.882 1.00 0.00 O ATOM 11 CB ASP B 2 8.382 -7.533 -13.910 1.00 0.00 C ATOM 12 CG ASP B 2 7.144 -7.167 -14.726 1.00 0.00 C ATOM 13 OD1 ASP B 2 6.527 -8.071 -15.251 1.00 0.00 O ATOM 14 OD2 ASP B 2 6.831 -5.991 -14.807 1.00 0.00 O ATOM 0 H ASP B 2 6.163 -8.613 -13.177 1.00 0.00 H new ATOM 0 HA ASP B 2 8.854 -8.140 -11.860 1.00 0.00 H new ATOM 0 HB2 ASP B 2 9.112 -6.725 -13.962 1.00 0.00 H new ATOM 0 HB3 ASP B 2 8.856 -8.419 -14.334 1.00 0.00 H new ATOM 19 N THR B 3 8.045 -5.376 -12.097 1.00 0.00 N ATOM 20 CA THR B 3 7.615 -4.097 -11.445 1.00 0.00 C ATOM 21 C THR B 3 6.354 -3.520 -12.108 1.00 0.00 C ATOM 22 O THR B 3 5.837 -2.523 -11.659 1.00 0.00 O ATOM 23 CB THR B 3 8.787 -3.117 -11.622 1.00 0.00 C ATOM 24 OG1 THR B 3 9.995 -3.832 -11.868 1.00 0.00 O ATOM 25 CG2 THR B 3 8.940 -2.268 -10.356 1.00 0.00 C ATOM 0 H THR B 3 8.769 -5.276 -12.809 1.00 0.00 H new ATOM 0 HA THR B 3 7.371 -4.267 -10.396 1.00 0.00 H new ATOM 0 HB THR B 3 8.581 -2.469 -12.474 1.00 0.00 H new ATOM 0 HG1 THR B 3 10.733 -3.198 -11.981 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.771 -1.574 -10.482 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.022 -1.707 -10.181 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.137 -2.918 -9.503 1.00 0.00 H new ATOM 33 N GLU B 4 5.865 -4.112 -13.173 1.00 0.00 N ATOM 34 CA GLU B 4 4.646 -3.559 -13.847 1.00 0.00 C ATOM 35 C GLU B 4 3.627 -4.671 -14.147 1.00 0.00 C ATOM 36 O GLU B 4 2.465 -4.583 -13.780 1.00 0.00 O ATOM 37 CB GLU B 4 5.178 -2.932 -15.140 1.00 0.00 C ATOM 38 CG GLU B 4 5.652 -1.504 -14.848 1.00 0.00 C ATOM 39 CD GLU B 4 4.816 -0.508 -15.645 1.00 0.00 C ATOM 40 OE1 GLU B 4 3.642 -0.359 -15.334 1.00 0.00 O ATOM 41 OE2 GLU B 4 5.361 0.094 -16.555 1.00 0.00 O ATOM 0 H GLU B 4 6.255 -4.951 -13.603 1.00 0.00 H new ATOM 0 HA GLU B 4 4.119 -2.836 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.001 -3.528 -15.536 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.398 -2.921 -15.901 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.566 -1.294 -13.782 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.705 -1.400 -15.110 1.00 0.00 H new ATOM 48 N VAL B 5 4.042 -5.724 -14.806 1.00 0.00 N ATOM 49 CA VAL B 5 3.083 -6.834 -15.113 1.00 0.00 C ATOM 50 C VAL B 5 2.975 -7.775 -13.899 1.00 0.00 C ATOM 51 O VAL B 5 3.615 -8.805 -13.827 1.00 0.00 O ATOM 52 CB VAL B 5 3.658 -7.556 -16.340 1.00 0.00 C ATOM 53 CG1 VAL B 5 2.783 -8.760 -16.692 1.00 0.00 C ATOM 54 CG2 VAL B 5 3.688 -6.595 -17.531 1.00 0.00 C ATOM 0 H VAL B 5 4.994 -5.864 -15.143 1.00 0.00 H new ATOM 0 HA VAL B 5 2.076 -6.471 -15.320 1.00 0.00 H new ATOM 0 HB VAL B 5 4.669 -7.895 -16.112 1.00 0.00 H new ATOM 0 HG11 VAL B 5 3.196 -9.268 -17.563 1.00 0.00 H new ATOM 0 HG12 VAL B 5 2.757 -9.450 -15.848 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.771 -8.422 -16.915 1.00 0.00 H new ATOM 0 HG21 VAL B 5 4.096 -7.108 -18.402 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.676 -6.256 -17.751 1.00 0.00 H new ATOM 0 HG23 VAL B 5 4.314 -5.736 -17.290 1.00 0.00 H new HETATM 64 N PTR B 6 2.164 -7.410 -12.940 1.00 0.00 N HETATM 65 CA PTR B 6 1.991 -8.251 -11.713 1.00 0.00 C HETATM 66 C PTR B 6 0.500 -8.574 -11.480 1.00 0.00 C HETATM 67 O PTR B 6 -0.376 -7.882 -11.975 1.00 0.00 O HETATM 68 CB PTR B 6 2.579 -7.423 -10.553 1.00 0.00 C HETATM 69 CG PTR B 6 2.320 -5.927 -10.709 1.00 0.00 C HETATM 70 CD1 PTR B 6 3.402 -5.034 -10.677 1.00 0.00 C HETATM 71 CD2 PTR B 6 1.012 -5.425 -10.836 1.00 0.00 C HETATM 72 CE1 PTR B 6 3.179 -3.650 -10.766 1.00 0.00 C HETATM 73 CE2 PTR B 6 0.804 -4.050 -10.933 1.00 0.00 C HETATM 74 CZ PTR B 6 1.875 -3.159 -10.897 1.00 0.00 C HETATM 75 OH PTR B 6 1.617 -1.794 -10.957 1.00 0.00 O HETATM 76 P PTR B 6 2.416 -0.857 -11.922 1.00 0.00 P HETATM 77 O1P PTR B 6 3.820 -0.801 -11.294 1.00 0.00 O HETATM 78 O2P PTR B 6 1.761 0.523 -11.691 1.00 0.00 O HETATM 79 O3P PTR B 6 2.330 -1.428 -13.409 1.00 0.00 O HETATM 0 HE2 PTR B 6 -0.211 -3.666 -11.039 1.00 0.00 H new HETATM 0 HE1 PTR B 6 4.021 -2.959 -10.733 1.00 0.00 H new HETATM 0 HD2 PTR B 6 0.164 -6.109 -10.858 1.00 0.00 H new HETATM 0 HD1 PTR B 6 4.419 -5.416 -10.583 1.00 0.00 H new HETATM 0 HB3 PTR B 6 2.149 -7.766 -9.612 1.00 0.00 H new HETATM 0 HB2 PTR B 6 3.653 -7.598 -10.495 1.00 0.00 H new HETATM 0 HA PTR B 6 2.498 -9.212 -11.804 1.00 0.00 H new ATOM 89 N GLU B 7 0.199 -9.634 -10.753 1.00 0.00 N ATOM 90 CA GLU B 7 -1.241 -10.012 -10.527 1.00 0.00 C ATOM 91 C GLU B 7 -1.660 -9.912 -9.030 1.00 0.00 C ATOM 92 O GLU B 7 -2.202 -8.913 -8.619 1.00 0.00 O ATOM 93 CB GLU B 7 -1.334 -11.457 -11.034 1.00 0.00 C ATOM 94 CG GLU B 7 -2.802 -11.895 -11.093 1.00 0.00 C ATOM 95 CD GLU B 7 -3.262 -12.400 -9.720 1.00 0.00 C ATOM 96 OE1 GLU B 7 -2.632 -13.308 -9.193 1.00 0.00 O ATOM 97 OE2 GLU B 7 -4.232 -11.858 -9.213 1.00 0.00 O ATOM 0 H GLU B 7 0.883 -10.248 -10.310 1.00 0.00 H new ATOM 0 HA GLU B 7 -1.919 -9.334 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.882 -11.535 -12.023 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.774 -12.120 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.426 -11.059 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -2.924 -12.682 -11.837 1.00 0.00 H new ATOM 104 N SER B 8 -1.439 -10.939 -8.222 1.00 0.00 N ATOM 105 CA SER B 8 -1.862 -10.883 -6.767 1.00 0.00 C ATOM 106 C SER B 8 -1.019 -9.855 -5.996 1.00 0.00 C ATOM 107 O SER B 8 0.164 -10.058 -5.798 1.00 0.00 O ATOM 108 CB SER B 8 -1.623 -12.292 -6.223 1.00 0.00 C ATOM 109 OG SER B 8 -2.709 -13.132 -6.599 1.00 0.00 O ATOM 0 H SER B 8 -0.987 -11.809 -8.504 1.00 0.00 H new ATOM 0 HA SER B 8 -2.903 -10.577 -6.659 1.00 0.00 H new ATOM 0 HB2 SER B 8 -0.687 -12.691 -6.614 1.00 0.00 H new ATOM 0 HB3 SER B 8 -1.529 -12.264 -5.137 1.00 0.00 H new ATOM 0 HG SER B 8 -2.515 -13.551 -7.463 1.00 0.00 H new ATOM 115 N PRO B 9 -1.648 -8.755 -5.622 1.00 0.00 N ATOM 116 CA PRO B 9 -0.931 -7.660 -4.929 1.00 0.00 C ATOM 117 C PRO B 9 -0.800 -7.880 -3.411 1.00 0.00 C ATOM 118 O PRO B 9 0.011 -8.670 -2.977 1.00 0.00 O ATOM 119 CB PRO B 9 -1.777 -6.432 -5.267 1.00 0.00 C ATOM 120 CG PRO B 9 -3.153 -6.949 -5.553 1.00 0.00 C ATOM 121 CD PRO B 9 -3.064 -8.435 -5.805 1.00 0.00 C ATOM 0 HA PRO B 9 0.106 -7.574 -5.253 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.790 -5.726 -4.437 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -1.371 -5.903 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.816 -6.747 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.575 -6.442 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.690 -8.993 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.401 -8.688 -6.810 1.00 0.00 H new HETATM 129 N PTR B 10 -1.541 -7.161 -2.594 1.00 0.00 N HETATM 130 CA PTR B 10 -1.380 -7.321 -1.120 1.00 0.00 C HETATM 131 C PTR B 10 -2.725 -7.471 -0.396 1.00 0.00 C HETATM 132 O PTR B 10 -3.532 -6.561 -0.359 1.00 0.00 O HETATM 133 CB PTR B 10 -0.670 -6.034 -0.678 1.00 0.00 C HETATM 134 CG PTR B 10 0.638 -6.384 -0.016 1.00 0.00 C HETATM 135 CD1 PTR B 10 0.636 -6.970 1.254 1.00 0.00 C HETATM 136 CD2 PTR B 10 1.854 -6.134 -0.671 1.00 0.00 C HETATM 137 CE1 PTR B 10 1.842 -7.311 1.869 1.00 0.00 C HETATM 138 CE2 PTR B 10 3.061 -6.474 -0.049 1.00 0.00 C HETATM 139 CZ PTR B 10 3.054 -7.063 1.218 1.00 0.00 C HETATM 140 OH PTR B 10 4.244 -7.411 1.824 1.00 0.00 O HETATM 141 P PTR B 10 4.734 -8.895 1.735 1.00 0.00 P HETATM 142 O1P PTR B 10 3.459 -9.735 1.464 1.00 0.00 O HETATM 143 O2P PTR B 10 5.207 -9.207 3.172 1.00 0.00 O HETATM 144 O3P PTR B 10 5.858 -8.971 0.611 1.00 0.00 O HETATM 0 HE2 PTR B 10 4.007 -6.279 -0.554 1.00 0.00 H new HETATM 0 HE1 PTR B 10 1.839 -7.771 2.857 1.00 0.00 H new HETATM 0 HD2 PTR B 10 1.858 -5.677 -1.660 1.00 0.00 H new HETATM 0 HD1 PTR B 10 -0.308 -7.161 1.764 1.00 0.00 H new HETATM 0 HB3 PTR B 10 -0.493 -5.389 -1.539 1.00 0.00 H new HETATM 0 HB2 PTR B 10 -1.302 -5.476 0.013 1.00 0.00 H new HETATM 0 HA PTR B 10 -0.823 -8.226 -0.876 1.00 0.00 H new HETATM 0 H PTR B 10 -2.473 -7.160 -3.008 1.00 0.00 H new ATOM 154 N ALA B 11 -2.938 -8.612 0.206 1.00 0.00 N ATOM 155 CA ALA B 11 -4.198 -8.862 0.979 1.00 0.00 C ATOM 156 C ALA B 11 -3.877 -9.750 2.195 1.00 0.00 C ATOM 157 O ALA B 11 -4.721 -10.462 2.706 1.00 0.00 O ATOM 158 CB ALA B 11 -5.128 -9.595 0.006 1.00 0.00 C ATOM 0 H ALA B 11 -2.284 -9.395 0.196 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.654 -7.945 1.351 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -6.074 -9.813 0.501 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -5.311 -8.967 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.661 -10.528 -0.311 1.00 0.00 H new ATOM 164 N ASP B 12 -2.645 -9.718 2.635 1.00 0.00 N ATOM 165 CA ASP B 12 -2.207 -10.562 3.787 1.00 0.00 C ATOM 166 C ASP B 12 -2.111 -9.710 5.064 1.00 0.00 C ATOM 167 O ASP B 12 -2.284 -8.506 5.011 1.00 0.00 O ATOM 168 CB ASP B 12 -0.814 -11.085 3.373 1.00 0.00 C ATOM 169 CG ASP B 12 -0.732 -11.262 1.851 1.00 0.00 C ATOM 170 OD1 ASP B 12 -0.530 -10.265 1.162 1.00 0.00 O ATOM 171 OD2 ASP B 12 -0.858 -12.383 1.396 1.00 0.00 O ATOM 0 H ASP B 12 -1.911 -9.132 2.237 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.904 -11.372 4.004 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -0.045 -10.388 3.705 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -0.616 -12.037 3.866 1.00 0.00 H new ATOM 176 N PRO B 13 -1.829 -10.354 6.172 1.00 0.00 N ATOM 177 CA PRO B 13 -1.710 -9.620 7.461 1.00 0.00 C ATOM 178 C PRO B 13 -0.421 -8.777 7.496 1.00 0.00 C ATOM 179 O PRO B 13 -0.437 -7.627 7.894 1.00 0.00 O ATOM 180 CB PRO B 13 -1.671 -10.735 8.505 1.00 0.00 C ATOM 181 CG PRO B 13 -1.162 -11.937 7.773 1.00 0.00 C ATOM 182 CD PRO B 13 -1.599 -11.797 6.336 1.00 0.00 C ATOM 0 HA PRO B 13 -2.525 -8.916 7.628 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -1.017 -10.474 9.337 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -2.661 -10.918 8.923 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -0.076 -11.999 7.841 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -1.561 -12.852 8.210 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -0.834 -12.160 5.649 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -2.504 -12.370 6.137 1.00 0.00 H new HETATM 190 N GMA B 14 0.689 -9.340 7.083 1.00 0.00 N HETATM 191 CA GMA B 14 1.979 -8.576 7.092 1.00 0.00 C HETATM 192 C GMA B 14 2.948 -9.133 6.033 1.00 0.00 C HETATM 193 O GMA B 14 3.328 -10.286 6.073 1.00 0.00 O HETATM 194 CB GMA B 14 2.545 -8.757 8.510 1.00 0.00 C HETATM 195 CG GMA B 14 2.599 -10.251 8.878 1.00 0.00 C HETATM 196 CD GMA B 14 3.977 -10.606 9.449 1.00 0.00 C HETATM 197 OE1 GMA B 14 4.970 -10.229 8.844 1.00 0.00 O HETATM 198 OE2 GMA B 14 4.014 -11.256 10.479 1.00 0.00 O HETATM 199 N2 GMA B 14 3.361 -8.358 5.074 1.00 0.00 N HETATM 0 HN2A GMA B 14 3.043 -7.390 5.028 1.00 0.00 H new HETATM 0 HN1 GMA B 14 4.003 -8.718 4.368 1.00 0.00 H new HETATM 0 HG3 GMA B 14 1.824 -10.481 9.609 1.00 0.00 H new HETATM 0 HG2 GMA B 14 2.395 -10.858 7.996 1.00 0.00 H new HETATM 0 HB3 GMA B 14 3.544 -8.325 8.568 1.00 0.00 H new HETATM 0 HB2 GMA B 14 1.924 -8.221 9.228 1.00 0.00 H new HETATM 0 HA GMA B 14 1.833 -7.524 6.849 1.00 0.00 H new HETATM 0 H GMA B 14 0.558 -10.111 6.429 1.00 0.00 H new TER 208 GMA B 14 ATOM 209 N GLY A 1 -10.017 11.211 10.387 1.00 0.00 N ATOM 210 CA GLY A 1 -11.457 10.837 10.229 1.00 0.00 C ATOM 211 C GLY A 1 -11.700 9.450 10.831 1.00 0.00 C ATOM 212 O GLY A 1 -11.197 9.135 11.889 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.948 12.194 10.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.568 10.578 11.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.533 11.122 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.090 11.574 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.729 10.839 9.174 1.00 0.00 H new ATOM 218 N SER A 2 -12.466 8.623 10.165 1.00 0.00 N ATOM 219 CA SER A 2 -12.740 7.251 10.699 1.00 0.00 C ATOM 220 C SER A 2 -11.481 6.371 10.617 1.00 0.00 C ATOM 221 O SER A 2 -10.609 6.610 9.795 1.00 0.00 O ATOM 222 CB SER A 2 -13.852 6.686 9.806 1.00 0.00 C ATOM 223 OG SER A 2 -13.364 6.532 8.472 1.00 0.00 O ATOM 0 H SER A 2 -12.914 8.837 9.274 1.00 0.00 H new ATOM 0 HA SER A 2 -13.033 7.277 11.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.190 5.725 10.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.713 7.354 9.814 1.00 0.00 H new ATOM 0 HG SER A 2 -12.737 5.779 8.438 1.00 0.00 H new ATOM 229 N PRO A 3 -11.432 5.369 11.471 1.00 0.00 N ATOM 230 CA PRO A 3 -10.273 4.434 11.491 1.00 0.00 C ATOM 231 C PRO A 3 -10.239 3.607 10.198 1.00 0.00 C ATOM 232 O PRO A 3 -10.729 2.497 10.137 1.00 0.00 O ATOM 233 CB PRO A 3 -10.540 3.558 12.718 1.00 0.00 C ATOM 234 CG PRO A 3 -12.017 3.633 12.923 1.00 0.00 C ATOM 235 CD PRO A 3 -12.438 5.009 12.484 1.00 0.00 C ATOM 0 HA PRO A 3 -9.307 4.936 11.547 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.215 2.531 12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.000 3.924 13.591 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.529 2.866 12.342 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.273 3.464 13.969 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.445 5.007 12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.439 5.713 13.316 1.00 0.00 H new ATOM 243 N GLY A 4 -9.671 4.161 9.163 1.00 0.00 N ATOM 244 CA GLY A 4 -9.606 3.443 7.856 1.00 0.00 C ATOM 245 C GLY A 4 -10.195 4.347 6.774 1.00 0.00 C ATOM 246 O GLY A 4 -11.221 4.969 6.980 1.00 0.00 O ATOM 0 H GLY A 4 -9.245 5.088 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.574 3.188 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.161 2.507 7.911 1.00 0.00 H new ATOM 250 N ILE A 5 -9.548 4.433 5.633 1.00 0.00 N ATOM 251 CA ILE A 5 -10.044 5.298 4.499 1.00 0.00 C ATOM 252 C ILE A 5 -9.989 6.809 4.830 1.00 0.00 C ATOM 253 O ILE A 5 -9.776 7.619 3.949 1.00 0.00 O ATOM 254 CB ILE A 5 -11.488 4.833 4.228 1.00 0.00 C ATOM 255 CG1 ILE A 5 -11.477 3.527 3.418 1.00 0.00 C ATOM 256 CG2 ILE A 5 -12.243 5.901 3.429 1.00 0.00 C ATOM 257 CD1 ILE A 5 -10.908 2.382 4.265 1.00 0.00 C ATOM 0 H ILE A 5 -8.682 3.933 5.432 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.407 5.185 3.622 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.983 4.670 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.489 3.282 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.877 3.655 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.262 5.563 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.267 6.831 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.737 6.070 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.906 1.463 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.888 2.623 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.525 2.245 5.153 1.00 0.00 H new ATOM 269 N HIS A 6 -10.171 7.203 6.069 1.00 0.00 N ATOM 270 CA HIS A 6 -10.119 8.661 6.411 1.00 0.00 C ATOM 271 C HIS A 6 -8.936 8.947 7.346 1.00 0.00 C ATOM 272 O HIS A 6 -8.093 9.771 7.056 1.00 0.00 O ATOM 273 CB HIS A 6 -11.443 8.967 7.118 1.00 0.00 C ATOM 274 CG HIS A 6 -12.597 8.727 6.184 1.00 0.00 C ATOM 275 ND1 HIS A 6 -13.586 7.803 6.467 1.00 0.00 N ATOM 276 CD2 HIS A 6 -12.938 9.288 4.980 1.00 0.00 C ATOM 277 CE1 HIS A 6 -14.472 7.834 5.453 1.00 0.00 C ATOM 278 NE2 HIS A 6 -14.124 8.723 4.520 1.00 0.00 N ATOM 0 H HIS A 6 -10.353 6.580 6.856 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.984 9.279 5.523 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.545 8.339 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.451 10.002 7.459 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -13.636 7.207 7.293 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.373 10.052 4.467 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.356 7.215 5.401 1.00 0.00 H new ATOM 286 N GLU A 7 -8.866 8.267 8.467 1.00 0.00 N ATOM 287 CA GLU A 7 -7.728 8.494 9.414 1.00 0.00 C ATOM 288 C GLU A 7 -6.451 7.804 8.896 1.00 0.00 C ATOM 289 O GLU A 7 -5.362 8.067 9.371 1.00 0.00 O ATOM 290 CB GLU A 7 -8.185 7.879 10.743 1.00 0.00 C ATOM 291 CG GLU A 7 -7.314 8.413 11.892 1.00 0.00 C ATOM 292 CD GLU A 7 -6.431 7.297 12.467 1.00 0.00 C ATOM 293 OE1 GLU A 7 -6.851 6.148 12.448 1.00 0.00 O ATOM 294 OE2 GLU A 7 -5.341 7.609 12.915 1.00 0.00 O ATOM 0 H GLU A 7 -9.545 7.567 8.766 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.486 9.551 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.232 8.122 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.113 6.792 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.688 9.229 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.950 8.822 12.677 1.00 0.00 H new ATOM 301 N SER A 8 -6.570 6.933 7.915 1.00 0.00 N ATOM 302 CA SER A 8 -5.357 6.248 7.365 1.00 0.00 C ATOM 303 C SER A 8 -4.558 7.217 6.480 1.00 0.00 C ATOM 304 O SER A 8 -4.986 8.326 6.213 1.00 0.00 O ATOM 305 CB SER A 8 -5.883 5.060 6.549 1.00 0.00 C ATOM 306 OG SER A 8 -6.356 5.515 5.285 1.00 0.00 O ATOM 0 H SER A 8 -7.452 6.670 7.476 1.00 0.00 H new ATOM 0 HA SER A 8 -4.683 5.914 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.091 4.325 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.687 4.562 7.091 1.00 0.00 H new ATOM 0 HG SER A 8 -6.890 4.810 4.863 1.00 0.00 H new ATOM 312 N LYS A 9 -3.387 6.825 6.057 1.00 0.00 N ATOM 313 CA LYS A 9 -2.548 7.750 5.222 1.00 0.00 C ATOM 314 C LYS A 9 -2.587 7.394 3.722 1.00 0.00 C ATOM 315 O LYS A 9 -2.698 8.278 2.884 1.00 0.00 O ATOM 316 CB LYS A 9 -1.133 7.616 5.798 1.00 0.00 C ATOM 317 CG LYS A 9 -0.075 7.913 4.723 1.00 0.00 C ATOM 318 CD LYS A 9 -0.251 9.338 4.180 1.00 0.00 C ATOM 319 CE LYS A 9 0.407 9.443 2.796 1.00 0.00 C ATOM 320 NZ LYS A 9 -0.698 9.266 1.800 1.00 0.00 N ATOM 0 H LYS A 9 -2.972 5.913 6.248 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.919 8.774 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.010 8.303 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.988 6.609 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.924 7.798 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.162 7.193 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.311 9.584 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.199 10.058 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.896 10.409 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.173 8.678 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.342 8.739 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.479 8.737 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.041 10.198 1.492 1.00 0.00 H new ATOM 334 N GLU A 10 -2.478 6.142 3.358 1.00 0.00 N ATOM 335 CA GLU A 10 -2.497 5.796 1.895 1.00 0.00 C ATOM 336 C GLU A 10 -3.907 5.386 1.453 1.00 0.00 C ATOM 337 O GLU A 10 -4.165 4.247 1.117 1.00 0.00 O ATOM 338 CB GLU A 10 -1.491 4.650 1.732 1.00 0.00 C ATOM 339 CG GLU A 10 -0.455 5.029 0.663 1.00 0.00 C ATOM 340 CD GLU A 10 0.256 6.325 1.060 1.00 0.00 C ATOM 341 OE1 GLU A 10 0.983 6.307 2.038 1.00 0.00 O ATOM 342 OE2 GLU A 10 0.045 7.326 0.387 1.00 0.00 O ATOM 0 H GLU A 10 -2.378 5.352 3.995 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.225 6.646 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.994 4.450 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.009 3.735 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.273 4.226 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.945 5.154 -0.302 1.00 0.00 H new ATOM 349 N TRP A 11 -4.822 6.324 1.447 1.00 0.00 N ATOM 350 CA TRP A 11 -6.227 6.008 1.019 1.00 0.00 C ATOM 351 C TRP A 11 -6.526 6.522 -0.401 1.00 0.00 C ATOM 352 O TRP A 11 -7.202 5.860 -1.166 1.00 0.00 O ATOM 353 CB TRP A 11 -7.173 6.647 2.060 1.00 0.00 C ATOM 354 CG TRP A 11 -6.781 8.059 2.387 1.00 0.00 C ATOM 355 CD1 TRP A 11 -5.933 8.415 3.380 1.00 0.00 C ATOM 356 CD2 TRP A 11 -7.227 9.304 1.768 1.00 0.00 C ATOM 357 NE1 TRP A 11 -5.815 9.792 3.397 1.00 0.00 N ATOM 358 CE2 TRP A 11 -6.594 10.384 2.425 1.00 0.00 C ATOM 359 CE3 TRP A 11 -8.105 9.596 0.706 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -6.823 11.706 2.048 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -8.338 10.928 0.324 1.00 0.00 C ATOM 362 CH2 TRP A 11 -7.698 11.981 0.993 1.00 0.00 C ATOM 0 H TRP A 11 -4.661 7.294 1.719 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.372 4.928 0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.194 6.634 1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.166 6.049 2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.430 7.734 4.050 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.224 10.308 4.049 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.602 8.792 0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.328 12.513 2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -9.014 11.142 -0.490 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.881 13.003 0.694 1.00 0.00 H new ATOM 373 N TYR A 12 -6.050 7.691 -0.759 1.00 0.00 N ATOM 374 CA TYR A 12 -6.336 8.225 -2.130 1.00 0.00 C ATOM 375 C TYR A 12 -5.469 7.512 -3.179 1.00 0.00 C ATOM 376 O TYR A 12 -4.337 7.882 -3.426 1.00 0.00 O ATOM 377 CB TYR A 12 -6.004 9.722 -2.071 1.00 0.00 C ATOM 378 CG TYR A 12 -6.209 10.331 -3.441 1.00 0.00 C ATOM 379 CD1 TYR A 12 -7.502 10.467 -3.962 1.00 0.00 C ATOM 380 CD2 TYR A 12 -5.104 10.743 -4.196 1.00 0.00 C ATOM 381 CE1 TYR A 12 -7.689 11.018 -5.238 1.00 0.00 C ATOM 382 CE2 TYR A 12 -5.292 11.291 -5.472 1.00 0.00 C ATOM 383 CZ TYR A 12 -6.583 11.428 -5.993 1.00 0.00 C ATOM 384 OH TYR A 12 -6.765 11.964 -7.254 1.00 0.00 O ATOM 0 H TYR A 12 -5.480 8.295 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.374 8.059 -2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.641 10.219 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.973 9.866 -1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.355 10.148 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.107 10.638 -3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.686 11.126 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.439 11.608 -6.054 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.631 12.422 -7.293 1.00 0.00 H new ATOM 394 N HIS A 13 -6.000 6.492 -3.796 1.00 0.00 N ATOM 395 CA HIS A 13 -5.223 5.745 -4.833 1.00 0.00 C ATOM 396 C HIS A 13 -5.588 6.251 -6.237 1.00 0.00 C ATOM 397 O HIS A 13 -6.331 5.615 -6.967 1.00 0.00 O ATOM 398 CB HIS A 13 -5.623 4.268 -4.648 1.00 0.00 C ATOM 399 CG HIS A 13 -7.125 4.121 -4.590 1.00 0.00 C ATOM 400 ND1 HIS A 13 -7.923 4.218 -5.716 1.00 0.00 N ATOM 401 CD2 HIS A 13 -7.981 3.892 -3.544 1.00 0.00 C ATOM 402 CE1 HIS A 13 -9.199 4.045 -5.328 1.00 0.00 C ATOM 403 NE2 HIS A 13 -9.291 3.844 -4.013 1.00 0.00 N ATOM 0 H HIS A 13 -6.943 6.140 -3.628 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.147 5.882 -4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.227 3.674 -5.471 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.180 3.879 -3.732 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -7.602 4.390 -6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.684 3.768 -2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.045 4.066 -5.999 1.00 0.00 H new ATOM 411 N ALA A 14 -5.070 7.389 -6.632 1.00 0.00 N ATOM 412 CA ALA A 14 -5.396 7.926 -7.992 1.00 0.00 C ATOM 413 C ALA A 14 -4.529 9.144 -8.344 1.00 0.00 C ATOM 414 O ALA A 14 -3.855 9.710 -7.505 1.00 0.00 O ATOM 415 CB ALA A 14 -6.869 8.340 -7.909 1.00 0.00 C ATOM 0 H ALA A 14 -4.439 7.967 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.207 7.182 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.188 8.746 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.478 7.470 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.991 9.099 -7.136 1.00 0.00 H new ATOM 421 N SER A 15 -4.570 9.548 -9.591 1.00 0.00 N ATOM 422 CA SER A 15 -3.787 10.742 -10.066 1.00 0.00 C ATOM 423 C SER A 15 -2.315 10.686 -9.629 1.00 0.00 C ATOM 424 O SER A 15 -1.732 11.692 -9.263 1.00 0.00 O ATOM 425 CB SER A 15 -4.481 11.960 -9.445 1.00 0.00 C ATOM 426 OG SER A 15 -5.894 11.809 -9.543 1.00 0.00 O ATOM 0 H SER A 15 -5.124 9.093 -10.317 1.00 0.00 H new ATOM 0 HA SER A 15 -3.771 10.780 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.188 12.064 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.166 12.870 -9.956 1.00 0.00 H new ATOM 0 HG SER A 15 -6.316 12.140 -8.723 1.00 0.00 H new ATOM 432 N LEU A 16 -1.702 9.534 -9.690 1.00 0.00 N ATOM 433 CA LEU A 16 -0.259 9.429 -9.307 1.00 0.00 C ATOM 434 C LEU A 16 0.499 8.631 -10.379 1.00 0.00 C ATOM 435 O LEU A 16 0.022 8.467 -11.487 1.00 0.00 O ATOM 436 CB LEU A 16 -0.245 8.726 -7.935 1.00 0.00 C ATOM 437 CG LEU A 16 -0.311 7.198 -8.096 1.00 0.00 C ATOM 438 CD1 LEU A 16 0.506 6.532 -6.981 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.767 6.735 -8.008 1.00 0.00 C ATOM 0 H LEU A 16 -2.136 8.660 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 16 0.235 10.398 -9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.660 8.999 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.090 9.069 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 16 0.099 6.918 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.460 5.449 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.544 6.860 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.095 6.814 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.812 5.652 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.180 7.015 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.348 7.208 -8.800 1.00 0.00 H new ATOM 451 N THR A 17 1.671 8.139 -10.073 1.00 0.00 N ATOM 452 CA THR A 17 2.437 7.363 -11.096 1.00 0.00 C ATOM 453 C THR A 17 2.401 5.854 -10.809 1.00 0.00 C ATOM 454 O THR A 17 2.108 5.413 -9.715 1.00 0.00 O ATOM 455 CB THR A 17 3.879 7.885 -11.025 1.00 0.00 C ATOM 456 OG1 THR A 17 4.177 8.326 -9.703 1.00 0.00 O ATOM 457 CG2 THR A 17 4.050 9.045 -12.010 1.00 0.00 C ATOM 0 H THR A 17 2.129 8.239 -9.167 1.00 0.00 H new ATOM 0 HA THR A 17 2.001 7.496 -12.086 1.00 0.00 H new ATOM 0 HB THR A 17 4.564 7.080 -11.289 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.099 8.655 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.074 9.417 -11.960 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.839 8.698 -13.021 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.360 9.848 -11.750 1.00 0.00 H new ATOM 465 N ARG A 18 2.717 5.076 -11.813 1.00 0.00 N ATOM 466 CA ARG A 18 2.746 3.580 -11.688 1.00 0.00 C ATOM 467 C ARG A 18 3.963 3.131 -10.850 1.00 0.00 C ATOM 468 O ARG A 18 4.306 3.759 -9.863 1.00 0.00 O ATOM 469 CB ARG A 18 2.804 3.060 -13.140 1.00 0.00 C ATOM 470 CG ARG A 18 4.015 3.649 -13.878 1.00 0.00 C ATOM 471 CD ARG A 18 4.483 2.674 -14.962 1.00 0.00 C ATOM 472 NE ARG A 18 5.757 3.262 -15.470 1.00 0.00 N ATOM 473 CZ ARG A 18 5.987 3.354 -16.746 1.00 0.00 C ATOM 474 NH1 ARG A 18 6.061 2.287 -17.479 1.00 0.00 N ATOM 475 NH2 ARG A 18 6.136 4.522 -17.281 1.00 0.00 N ATOM 0 H ARG A 18 2.963 5.422 -12.740 1.00 0.00 H new ATOM 0 HA ARG A 18 1.875 3.182 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.866 1.972 -13.140 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.887 3.327 -13.664 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.749 4.606 -14.326 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.824 3.841 -13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.641 1.675 -14.556 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.744 2.581 -15.758 1.00 0.00 H new ATOM 0 HE ARG A 18 6.457 3.596 -14.807 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.938 1.367 -17.055 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.242 2.367 -18.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.073 5.360 -16.703 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.317 4.605 -18.281 1.00 0.00 H new ATOM 489 N ALA A 19 4.593 2.035 -11.210 1.00 0.00 N ATOM 490 CA ALA A 19 5.766 1.516 -10.429 1.00 0.00 C ATOM 491 C ALA A 19 6.775 2.627 -10.043 1.00 0.00 C ATOM 492 O ALA A 19 7.575 2.437 -9.156 1.00 0.00 O ATOM 493 CB ALA A 19 6.425 0.502 -11.369 1.00 0.00 C ATOM 0 H ALA A 19 4.341 1.471 -12.022 1.00 0.00 H new ATOM 0 HA ALA A 19 5.444 1.087 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.297 0.067 -10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.713 -0.287 -11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.734 1.004 -12.286 1.00 0.00 H new ATOM 499 N GLN A 20 6.745 3.782 -10.669 1.00 0.00 N ATOM 500 CA GLN A 20 7.704 4.872 -10.277 1.00 0.00 C ATOM 501 C GLN A 20 7.483 5.264 -8.802 1.00 0.00 C ATOM 502 O GLN A 20 8.365 5.104 -7.976 1.00 0.00 O ATOM 503 CB GLN A 20 7.383 6.042 -11.215 1.00 0.00 C ATOM 504 CG GLN A 20 8.276 5.964 -12.460 1.00 0.00 C ATOM 505 CD GLN A 20 8.072 4.621 -13.168 1.00 0.00 C ATOM 506 OE1 GLN A 20 7.217 4.494 -14.018 1.00 0.00 O ATOM 507 NE2 GLN A 20 8.822 3.603 -12.853 1.00 0.00 N ATOM 0 H GLN A 20 6.105 4.018 -11.428 1.00 0.00 H new ATOM 0 HA GLN A 20 8.746 4.564 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.333 6.011 -11.506 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.543 6.989 -10.699 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.039 6.782 -13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.322 6.079 -12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.543 3.703 -12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.688 2.707 -13.321 1.00 0.00 H new ATOM 516 N ALA A 21 6.304 5.738 -8.455 1.00 0.00 N ATOM 517 CA ALA A 21 6.025 6.091 -7.022 1.00 0.00 C ATOM 518 C ALA A 21 6.103 4.821 -6.171 1.00 0.00 C ATOM 519 O ALA A 21 6.563 4.844 -5.042 1.00 0.00 O ATOM 520 CB ALA A 21 4.613 6.671 -7.018 1.00 0.00 C ATOM 0 H ALA A 21 5.528 5.894 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 21 6.741 6.803 -6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.338 6.953 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.579 7.551 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.912 5.924 -7.389 1.00 0.00 H new ATOM 526 N GLU A 22 5.689 3.708 -6.729 1.00 0.00 N ATOM 527 CA GLU A 22 5.761 2.412 -5.992 1.00 0.00 C ATOM 528 C GLU A 22 7.216 2.132 -5.601 1.00 0.00 C ATOM 529 O GLU A 22 7.542 1.990 -4.436 1.00 0.00 O ATOM 530 CB GLU A 22 5.265 1.380 -7.012 1.00 0.00 C ATOM 531 CG GLU A 22 5.423 -0.044 -6.467 1.00 0.00 C ATOM 532 CD GLU A 22 6.853 -0.551 -6.691 1.00 0.00 C ATOM 533 OE1 GLU A 22 7.270 -0.637 -7.835 1.00 0.00 O ATOM 534 OE2 GLU A 22 7.511 -0.850 -5.710 1.00 0.00 O ATOM 0 H GLU A 22 5.302 3.645 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 22 5.174 2.399 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.218 1.570 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.825 1.483 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.188 -0.060 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.714 -0.709 -6.960 1.00 0.00 H new ATOM 541 N HIS A 23 8.095 2.083 -6.571 1.00 0.00 N ATOM 542 CA HIS A 23 9.534 1.835 -6.272 1.00 0.00 C ATOM 543 C HIS A 23 10.118 3.004 -5.476 1.00 0.00 C ATOM 544 O HIS A 23 11.032 2.824 -4.700 1.00 0.00 O ATOM 545 CB HIS A 23 10.226 1.677 -7.629 1.00 0.00 C ATOM 546 CG HIS A 23 10.826 0.300 -7.708 1.00 0.00 C ATOM 547 ND1 HIS A 23 10.050 -0.846 -7.641 1.00 0.00 N ATOM 548 CD2 HIS A 23 12.123 -0.132 -7.831 1.00 0.00 C ATOM 549 CE1 HIS A 23 10.880 -1.904 -7.725 1.00 0.00 C ATOM 550 NE2 HIS A 23 12.155 -1.524 -7.842 1.00 0.00 N ATOM 0 H HIS A 23 7.874 2.205 -7.559 1.00 0.00 H new ATOM 0 HA HIS A 23 9.676 0.943 -5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.510 1.824 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.001 2.434 -7.748 1.00 0.00 H new ATOM 0 HD1 HIS A 23 9.035 -0.882 -7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.988 0.510 -7.908 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.554 -2.933 -7.701 1.00 0.00 H new ATOM 558 N MET A 24 9.589 4.198 -5.626 1.00 0.00 N ATOM 559 CA MET A 24 10.130 5.331 -4.819 1.00 0.00 C ATOM 560 C MET A 24 9.913 5.002 -3.335 1.00 0.00 C ATOM 561 O MET A 24 10.832 5.058 -2.543 1.00 0.00 O ATOM 562 CB MET A 24 9.330 6.573 -5.273 1.00 0.00 C ATOM 563 CG MET A 24 8.708 7.323 -4.080 1.00 0.00 C ATOM 564 SD MET A 24 8.729 9.101 -4.426 1.00 0.00 S ATOM 565 CE MET A 24 7.513 9.590 -3.178 1.00 0.00 C ATOM 0 H MET A 24 8.823 4.430 -6.259 1.00 0.00 H new ATOM 0 HA MET A 24 11.197 5.508 -4.957 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.987 7.247 -5.823 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.541 6.266 -5.960 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.686 6.984 -3.914 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.267 7.110 -3.169 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.368 10.670 -3.215 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.565 9.090 -3.378 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.872 9.306 -2.189 1.00 0.00 H new ATOM 575 N LEU A 25 8.715 4.605 -2.973 1.00 0.00 N ATOM 576 CA LEU A 25 8.439 4.233 -1.548 1.00 0.00 C ATOM 577 C LEU A 25 9.081 2.876 -1.210 1.00 0.00 C ATOM 578 O LEU A 25 9.469 2.625 -0.085 1.00 0.00 O ATOM 579 CB LEU A 25 6.913 4.153 -1.442 1.00 0.00 C ATOM 580 CG LEU A 25 6.372 5.485 -0.917 1.00 0.00 C ATOM 581 CD1 LEU A 25 6.109 6.429 -2.086 1.00 0.00 C ATOM 582 CD2 LEU A 25 5.074 5.241 -0.153 1.00 0.00 C ATOM 0 H LEU A 25 7.917 4.523 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 25 8.856 4.957 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.480 3.931 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.625 3.342 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 25 7.106 5.936 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.724 7.376 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.038 6.605 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.377 5.981 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.688 6.189 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.340 4.788 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.266 4.571 0.685 1.00 0.00 H new ATOM 594 N MET A 26 9.196 2.001 -2.176 1.00 0.00 N ATOM 595 CA MET A 26 9.815 0.666 -1.912 1.00 0.00 C ATOM 596 C MET A 26 11.342 0.789 -1.747 1.00 0.00 C ATOM 597 O MET A 26 11.930 0.205 -0.852 1.00 0.00 O ATOM 598 CB MET A 26 9.477 -0.175 -3.153 1.00 0.00 C ATOM 599 CG MET A 26 9.001 -1.567 -2.725 1.00 0.00 C ATOM 600 SD MET A 26 7.579 -1.417 -1.613 1.00 0.00 S ATOM 601 CE MET A 26 6.449 -0.602 -2.766 1.00 0.00 C ATOM 0 H MET A 26 8.888 2.153 -3.137 1.00 0.00 H new ATOM 0 HA MET A 26 9.440 0.219 -0.991 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.702 0.320 -3.739 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.354 -0.262 -3.794 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.727 -2.153 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.810 -2.100 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.977 0.248 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.006 -0.253 -3.636 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.683 -1.308 -3.085 1.00 0.00 H new ATOM 611 N ARG A 27 11.989 1.509 -2.628 1.00 0.00 N ATOM 612 CA ARG A 27 13.482 1.643 -2.570 1.00 0.00 C ATOM 613 C ARG A 27 13.981 2.713 -1.571 1.00 0.00 C ATOM 614 O ARG A 27 15.111 2.637 -1.122 1.00 0.00 O ATOM 615 CB ARG A 27 13.899 1.994 -4.010 1.00 0.00 C ATOM 616 CG ARG A 27 14.033 3.517 -4.177 1.00 0.00 C ATOM 617 CD ARG A 27 13.707 3.908 -5.621 1.00 0.00 C ATOM 618 NE ARG A 27 14.774 4.878 -6.011 1.00 0.00 N ATOM 619 CZ ARG A 27 14.713 6.116 -5.623 1.00 0.00 C ATOM 620 NH1 ARG A 27 13.891 6.937 -6.199 1.00 0.00 N ATOM 621 NH2 ARG A 27 15.475 6.525 -4.658 1.00 0.00 N ATOM 0 H ARG A 27 11.545 2.016 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 27 13.929 0.718 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.847 1.512 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.160 1.609 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.359 4.029 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.045 3.833 -3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.708 3.036 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.718 4.360 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 27 15.556 4.566 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.292 6.611 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.844 7.909 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.119 5.876 -4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.431 7.496 -4.350 1.00 0.00 H new ATOM 635 N VAL A 28 13.192 3.722 -1.251 1.00 0.00 N ATOM 636 CA VAL A 28 13.683 4.798 -0.301 1.00 0.00 C ATOM 637 C VAL A 28 14.353 4.214 0.957 1.00 0.00 C ATOM 638 O VAL A 28 14.264 3.029 1.229 1.00 0.00 O ATOM 639 CB VAL A 28 12.463 5.634 0.109 1.00 0.00 C ATOM 640 CG1 VAL A 28 12.180 6.679 -0.966 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.234 4.741 0.308 1.00 0.00 C ATOM 0 H VAL A 28 12.242 3.851 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 28 14.439 5.399 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 28 12.679 6.131 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.314 7.274 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.047 7.331 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.977 6.180 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.381 5.355 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.007 4.222 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.438 4.010 1.091 1.00 0.00 H new ATOM 651 N PRO A 29 15.011 5.087 1.689 1.00 0.00 N ATOM 652 CA PRO A 29 15.729 4.675 2.931 1.00 0.00 C ATOM 653 C PRO A 29 14.791 4.054 3.978 1.00 0.00 C ATOM 654 O PRO A 29 14.704 2.844 4.085 1.00 0.00 O ATOM 655 CB PRO A 29 16.347 5.986 3.429 1.00 0.00 C ATOM 656 CG PRO A 29 15.498 7.054 2.815 1.00 0.00 C ATOM 657 CD PRO A 29 15.145 6.535 1.453 1.00 0.00 C ATOM 0 HA PRO A 29 16.467 3.895 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.333 6.044 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.388 6.078 3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.604 7.239 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.038 7.999 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.219 6.973 1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.921 6.757 0.720 1.00 0.00 H new ATOM 665 N ARG A 30 14.122 4.859 4.768 1.00 0.00 N ATOM 666 CA ARG A 30 13.225 4.307 5.835 1.00 0.00 C ATOM 667 C ARG A 30 12.227 3.285 5.287 1.00 0.00 C ATOM 668 O ARG A 30 11.726 3.396 4.182 1.00 0.00 O ATOM 669 CB ARG A 30 12.478 5.510 6.404 1.00 0.00 C ATOM 670 CG ARG A 30 13.215 6.039 7.637 1.00 0.00 C ATOM 671 CD ARG A 30 13.011 5.085 8.820 1.00 0.00 C ATOM 672 NE ARG A 30 14.068 5.473 9.802 1.00 0.00 N ATOM 673 CZ ARG A 30 15.284 5.039 9.669 1.00 0.00 C ATOM 674 NH1 ARG A 30 15.555 3.779 9.798 1.00 0.00 N ATOM 675 NH2 ARG A 30 16.234 5.873 9.407 1.00 0.00 N ATOM 0 H ARG A 30 14.158 5.877 4.721 1.00 0.00 H new ATOM 0 HA ARG A 30 13.812 3.780 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.402 6.293 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.460 5.225 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.278 6.140 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.846 7.032 7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.014 5.191 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.117 4.044 8.513 1.00 0.00 H new ATOM 0 HE ARG A 30 13.832 6.084 10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.809 3.116 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.515 3.450 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.027 6.867 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.192 5.538 9.301 1.00 0.00 H new ATOM 689 N ASP A 31 11.932 2.298 6.082 1.00 0.00 N ATOM 690 CA ASP A 31 10.961 1.246 5.681 1.00 0.00 C ATOM 691 C ASP A 31 9.554 1.641 6.176 1.00 0.00 C ATOM 692 O ASP A 31 9.386 2.641 6.858 1.00 0.00 O ATOM 693 CB ASP A 31 11.512 -0.024 6.361 1.00 0.00 C ATOM 694 CG ASP A 31 10.426 -1.080 6.558 1.00 0.00 C ATOM 695 OD1 ASP A 31 9.784 -1.436 5.588 1.00 0.00 O ATOM 696 OD2 ASP A 31 10.274 -1.531 7.682 1.00 0.00 O ATOM 0 H ASP A 31 12.332 2.174 7.012 1.00 0.00 H new ATOM 0 HA ASP A 31 10.858 1.100 4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.317 -0.440 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.943 0.239 7.327 1.00 0.00 H new ATOM 701 N GLY A 32 8.547 0.884 5.822 1.00 0.00 N ATOM 702 CA GLY A 32 7.156 1.223 6.252 1.00 0.00 C ATOM 703 C GLY A 32 6.509 2.126 5.201 1.00 0.00 C ATOM 704 O GLY A 32 5.722 2.994 5.519 1.00 0.00 O ATOM 0 H GLY A 32 8.628 0.042 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.570 0.313 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.174 1.726 7.219 1.00 0.00 H new ATOM 708 N ALA A 33 6.850 1.929 3.950 1.00 0.00 N ATOM 709 CA ALA A 33 6.280 2.779 2.860 1.00 0.00 C ATOM 710 C ALA A 33 5.094 2.080 2.175 1.00 0.00 C ATOM 711 O ALA A 33 5.150 0.904 1.851 1.00 0.00 O ATOM 712 CB ALA A 33 7.441 2.971 1.878 1.00 0.00 C ATOM 0 H ALA A 33 7.503 1.211 3.637 1.00 0.00 H new ATOM 0 HA ALA A 33 5.893 3.726 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.112 3.587 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.270 3.463 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.768 2.000 1.507 1.00 0.00 H new ATOM 718 N PHE A 34 4.025 2.805 1.950 1.00 0.00 N ATOM 719 CA PHE A 34 2.816 2.214 1.283 1.00 0.00 C ATOM 720 C PHE A 34 2.352 3.140 0.145 1.00 0.00 C ATOM 721 O PHE A 34 2.505 4.341 0.233 1.00 0.00 O ATOM 722 CB PHE A 34 1.747 2.163 2.380 1.00 0.00 C ATOM 723 CG PHE A 34 2.139 1.182 3.466 1.00 0.00 C ATOM 724 CD1 PHE A 34 3.142 1.512 4.389 1.00 0.00 C ATOM 725 CD2 PHE A 34 1.488 -0.052 3.558 1.00 0.00 C ATOM 726 CE1 PHE A 34 3.490 0.608 5.400 1.00 0.00 C ATOM 727 CE2 PHE A 34 1.839 -0.954 4.570 1.00 0.00 C ATOM 728 CZ PHE A 34 2.839 -0.624 5.490 1.00 0.00 C ATOM 0 H PHE A 34 3.935 3.790 2.201 1.00 0.00 H new ATOM 0 HA PHE A 34 3.014 1.232 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.613 3.155 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.790 1.871 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.646 2.464 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.715 -0.309 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.262 0.864 6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.336 -1.907 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.108 -1.321 6.270 1.00 0.00 H new ATOM 738 N LEU A 35 1.784 2.614 -0.919 1.00 0.00 N ATOM 739 CA LEU A 35 1.332 3.525 -2.028 1.00 0.00 C ATOM 740 C LEU A 35 0.422 2.776 -3.016 1.00 0.00 C ATOM 741 O LEU A 35 0.795 1.752 -3.548 1.00 0.00 O ATOM 742 CB LEU A 35 2.645 3.957 -2.708 1.00 0.00 C ATOM 743 CG LEU A 35 2.506 5.348 -3.342 1.00 0.00 C ATOM 744 CD1 LEU A 35 2.494 6.424 -2.251 1.00 0.00 C ATOM 745 CD2 LEU A 35 3.698 5.594 -4.283 1.00 0.00 C ATOM 0 H LEU A 35 1.616 1.619 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 35 0.747 4.371 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.452 3.967 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.918 3.231 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 35 1.572 5.396 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.395 7.407 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.653 6.251 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.425 6.380 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.606 6.581 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.627 5.541 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.707 4.834 -5.065 1.00 0.00 H new ATOM 757 N VAL A 36 -0.756 3.278 -3.285 1.00 0.00 N ATOM 758 CA VAL A 36 -1.661 2.578 -4.256 1.00 0.00 C ATOM 759 C VAL A 36 -1.640 3.323 -5.594 1.00 0.00 C ATOM 760 O VAL A 36 -1.681 4.538 -5.629 1.00 0.00 O ATOM 761 CB VAL A 36 -3.057 2.610 -3.627 1.00 0.00 C ATOM 762 CG1 VAL A 36 -3.951 1.596 -4.345 1.00 0.00 C ATOM 763 CG2 VAL A 36 -2.977 2.232 -2.143 1.00 0.00 C ATOM 0 H VAL A 36 -1.131 4.135 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.350 1.551 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.467 3.615 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.947 1.612 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.018 1.854 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.525 0.598 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.975 2.258 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.564 1.228 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.334 2.941 -1.621 1.00 0.00 H new ATOM 773 N ARG A 37 -1.537 2.618 -6.690 1.00 0.00 N ATOM 774 CA ARG A 37 -1.460 3.316 -8.009 1.00 0.00 C ATOM 775 C ARG A 37 -2.104 2.493 -9.137 1.00 0.00 C ATOM 776 O ARG A 37 -2.330 1.302 -9.009 1.00 0.00 O ATOM 777 CB ARG A 37 0.049 3.501 -8.248 1.00 0.00 C ATOM 778 CG ARG A 37 0.638 2.274 -8.963 1.00 0.00 C ATOM 779 CD ARG A 37 1.680 1.598 -8.069 1.00 0.00 C ATOM 780 NE ARG A 37 1.977 0.301 -8.752 1.00 0.00 N ATOM 781 CZ ARG A 37 2.677 -0.619 -8.156 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.414 -0.941 -6.929 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.628 -1.219 -8.800 1.00 0.00 N ATOM 0 H ARG A 37 -1.503 1.599 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.006 4.260 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.221 4.395 -8.847 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.558 3.653 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.156 1.569 -9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.096 2.577 -9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.577 2.210 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.294 1.437 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 37 1.627 0.136 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.658 -0.473 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.963 -1.663 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.824 -0.969 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.180 -1.941 -8.338 1.00 0.00 H new ATOM 797 N LYS A 38 -2.381 3.122 -10.249 1.00 0.00 N ATOM 798 CA LYS A 38 -2.980 2.381 -11.398 1.00 0.00 C ATOM 799 C LYS A 38 -1.861 1.651 -12.163 1.00 0.00 C ATOM 800 O LYS A 38 -0.824 2.214 -12.459 1.00 0.00 O ATOM 801 CB LYS A 38 -3.639 3.455 -12.273 1.00 0.00 C ATOM 802 CG LYS A 38 -4.906 2.878 -12.919 1.00 0.00 C ATOM 803 CD LYS A 38 -4.532 2.087 -14.181 1.00 0.00 C ATOM 804 CE LYS A 38 -5.495 0.903 -14.358 1.00 0.00 C ATOM 805 NZ LYS A 38 -4.624 -0.307 -14.497 1.00 0.00 N ATOM 0 H LYS A 38 -2.219 4.116 -10.411 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.707 1.630 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.890 4.328 -11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.944 3.789 -13.044 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.423 2.229 -12.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.594 3.684 -13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.576 2.737 -15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.507 1.725 -14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.162 0.809 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.123 1.037 -15.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.045 -0.961 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.680 -0.019 -14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.541 -0.783 -13.576 1.00 0.00 H new ATOM 819 N ARG A 39 -2.060 0.393 -12.457 1.00 0.00 N ATOM 820 CA ARG A 39 -1.012 -0.406 -13.170 1.00 0.00 C ATOM 821 C ARG A 39 -1.262 -0.438 -14.685 1.00 0.00 C ATOM 822 O ARG A 39 -2.355 -0.168 -15.153 1.00 0.00 O ATOM 823 CB ARG A 39 -1.143 -1.804 -12.567 1.00 0.00 C ATOM 824 CG ARG A 39 -0.299 -2.800 -13.359 1.00 0.00 C ATOM 825 CD ARG A 39 -0.915 -4.186 -13.229 1.00 0.00 C ATOM 826 NE ARG A 39 0.036 -5.075 -13.955 1.00 0.00 N ATOM 827 CZ ARG A 39 -0.410 -6.004 -14.739 1.00 0.00 C ATOM 828 NH1 ARG A 39 -0.791 -7.141 -14.255 1.00 0.00 N ATOM 829 NH2 ARG A 39 -0.447 -5.798 -16.012 1.00 0.00 N ATOM 0 H ARG A 39 -2.911 -0.122 -12.233 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.015 0.017 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.821 -1.791 -11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.188 -2.115 -12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.254 -2.505 -14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.725 -2.807 -12.985 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.018 -4.480 -12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.911 -4.223 -13.670 1.00 0.00 H new ATOM 0 HE ARG A 39 1.041 -4.951 -13.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.741 -7.310 -13.250 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.141 -7.869 -14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.126 -4.908 -16.394 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.797 -6.525 -16.636 1.00 0.00 H new ATOM 843 N ASN A 40 -0.254 -0.768 -15.455 1.00 0.00 N ATOM 844 CA ASN A 40 -0.424 -0.831 -16.940 1.00 0.00 C ATOM 845 C ASN A 40 -1.283 -2.047 -17.356 1.00 0.00 C ATOM 846 O ASN A 40 -0.810 -2.970 -17.996 1.00 0.00 O ATOM 847 CB ASN A 40 0.993 -0.956 -17.493 1.00 0.00 C ATOM 848 CG ASN A 40 1.438 0.384 -18.064 1.00 0.00 C ATOM 849 OD1 ASN A 40 0.793 0.936 -18.928 1.00 0.00 O ATOM 850 ND2 ASN A 40 2.518 0.940 -17.610 1.00 0.00 N ATOM 0 H ASN A 40 0.681 -0.997 -15.118 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.941 0.048 -17.324 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.676 -1.271 -16.704 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.026 -1.722 -18.268 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.823 1.840 -17.980 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.063 0.477 -16.882 1.00 0.00 H new ATOM 857 N GLU A 41 -2.544 -2.040 -16.998 1.00 0.00 N ATOM 858 CA GLU A 41 -3.462 -3.172 -17.364 1.00 0.00 C ATOM 859 C GLU A 41 -4.922 -2.760 -17.074 1.00 0.00 C ATOM 860 O GLU A 41 -5.181 -2.054 -16.107 1.00 0.00 O ATOM 861 CB GLU A 41 -3.025 -4.356 -16.469 1.00 0.00 C ATOM 862 CG GLU A 41 -3.799 -5.640 -16.831 1.00 0.00 C ATOM 863 CD GLU A 41 -3.034 -6.430 -17.899 1.00 0.00 C ATOM 864 OE1 GLU A 41 -2.053 -7.066 -17.543 1.00 0.00 O ATOM 865 OE2 GLU A 41 -3.439 -6.387 -19.046 1.00 0.00 O ATOM 0 H GLU A 41 -2.984 -1.292 -16.462 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.408 -3.438 -18.420 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.955 -4.528 -16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.197 -4.107 -15.422 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.937 -6.255 -15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.793 -5.384 -17.198 1.00 0.00 H new ATOM 872 N PRO A 42 -5.835 -3.205 -17.908 1.00 0.00 N ATOM 873 CA PRO A 42 -7.276 -2.870 -17.709 1.00 0.00 C ATOM 874 C PRO A 42 -7.794 -3.558 -16.440 1.00 0.00 C ATOM 875 O PRO A 42 -7.397 -4.668 -16.138 1.00 0.00 O ATOM 876 CB PRO A 42 -7.947 -3.428 -18.965 1.00 0.00 C ATOM 877 CG PRO A 42 -7.023 -4.502 -19.443 1.00 0.00 C ATOM 878 CD PRO A 42 -5.631 -4.052 -19.093 1.00 0.00 C ATOM 0 HA PRO A 42 -7.470 -1.805 -17.579 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.936 -3.827 -18.741 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.079 -2.654 -19.721 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.255 -5.454 -18.966 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.124 -4.651 -20.518 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.978 -4.897 -18.875 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.171 -3.496 -19.910 1.00 0.00 H new ATOM 886 N ASN A 43 -8.654 -2.909 -15.677 1.00 0.00 N ATOM 887 CA ASN A 43 -9.155 -3.549 -14.410 1.00 0.00 C ATOM 888 C ASN A 43 -7.948 -4.020 -13.601 1.00 0.00 C ATOM 889 O ASN A 43 -7.870 -5.158 -13.174 1.00 0.00 O ATOM 890 CB ASN A 43 -9.960 -4.759 -14.875 1.00 0.00 C ATOM 891 CG ASN A 43 -11.270 -4.303 -15.515 1.00 0.00 C ATOM 892 OD1 ASN A 43 -11.397 -4.282 -16.720 1.00 0.00 O ATOM 893 ND2 ASN A 43 -12.256 -3.931 -14.753 1.00 0.00 N ATOM 0 H ASN A 43 -9.025 -1.979 -15.873 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.749 -2.874 -13.794 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.379 -5.339 -15.592 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.168 -5.414 -14.029 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.134 -3.622 -15.170 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.151 -3.948 -13.739 1.00 0.00 H new ATOM 900 N SER A 44 -6.967 -3.177 -13.463 1.00 0.00 N ATOM 901 CA SER A 44 -5.721 -3.605 -12.779 1.00 0.00 C ATOM 902 C SER A 44 -5.068 -2.454 -12.015 1.00 0.00 C ATOM 903 O SER A 44 -4.278 -1.697 -12.554 1.00 0.00 O ATOM 904 CB SER A 44 -4.878 -4.051 -13.962 1.00 0.00 C ATOM 905 OG SER A 44 -3.872 -4.945 -13.525 1.00 0.00 O ATOM 0 H SER A 44 -6.974 -2.212 -13.794 1.00 0.00 H new ATOM 0 HA SER A 44 -5.868 -4.373 -12.020 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.509 -4.535 -14.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.423 -3.185 -14.443 1.00 0.00 H new ATOM 0 HG SER A 44 -4.089 -5.853 -13.823 1.00 0.00 H new ATOM 911 N TYR A 45 -5.377 -2.335 -10.753 1.00 0.00 N ATOM 912 CA TYR A 45 -4.756 -1.265 -9.914 1.00 0.00 C ATOM 913 C TYR A 45 -3.612 -1.901 -9.123 1.00 0.00 C ATOM 914 O TYR A 45 -3.654 -3.073 -8.843 1.00 0.00 O ATOM 915 CB TYR A 45 -5.873 -0.776 -8.988 1.00 0.00 C ATOM 916 CG TYR A 45 -5.900 0.728 -9.022 1.00 0.00 C ATOM 917 CD1 TYR A 45 -6.506 1.393 -10.095 1.00 0.00 C ATOM 918 CD2 TYR A 45 -5.301 1.459 -7.993 1.00 0.00 C ATOM 919 CE1 TYR A 45 -6.512 2.789 -10.135 1.00 0.00 C ATOM 920 CE2 TYR A 45 -5.304 2.855 -8.038 1.00 0.00 C ATOM 921 CZ TYR A 45 -5.910 3.518 -9.109 1.00 0.00 C ATOM 922 OH TYR A 45 -5.906 4.890 -9.161 1.00 0.00 O ATOM 0 H TYR A 45 -6.038 -2.937 -10.261 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.349 -0.433 -10.489 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.834 -1.179 -9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.703 -1.129 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.968 0.827 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.836 0.946 -7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.982 3.304 -10.960 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.838 3.422 -7.246 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.434 5.247 -8.417 1.00 0.00 H new ATOM 932 N ALA A 46 -2.583 -1.186 -8.779 1.00 0.00 N ATOM 933 CA ALA A 46 -1.470 -1.858 -8.043 1.00 0.00 C ATOM 934 C ALA A 46 -1.153 -1.176 -6.705 1.00 0.00 C ATOM 935 O ALA A 46 -1.234 0.029 -6.563 1.00 0.00 O ATOM 936 CB ALA A 46 -0.294 -1.792 -9.008 1.00 0.00 C ATOM 0 H ALA A 46 -2.460 -0.191 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.725 -2.881 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.577 -2.264 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.550 -2.315 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.066 -0.750 -9.233 1.00 0.00 H new ATOM 942 N ILE A 47 -0.795 -1.965 -5.720 1.00 0.00 N ATOM 943 CA ILE A 47 -0.471 -1.415 -4.363 1.00 0.00 C ATOM 944 C ILE A 47 1.040 -1.471 -4.104 1.00 0.00 C ATOM 945 O ILE A 47 1.738 -2.307 -4.637 1.00 0.00 O ATOM 946 CB ILE A 47 -1.208 -2.345 -3.389 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.722 -2.160 -3.553 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.810 -2.028 -1.948 1.00 0.00 C ATOM 949 CD1 ILE A 47 -3.464 -3.050 -2.556 1.00 0.00 C ATOM 0 H ILE A 47 -0.712 -2.979 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.770 -0.372 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.936 -3.377 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.990 -1.116 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.020 -2.412 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.341 -2.695 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.264 -2.167 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.070 -0.995 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.539 -2.914 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.207 -4.093 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.176 -2.778 -1.541 1.00 0.00 H new ATOM 961 N SER A 48 1.535 -0.596 -3.280 1.00 0.00 N ATOM 962 CA SER A 48 2.993 -0.591 -2.956 1.00 0.00 C ATOM 963 C SER A 48 3.156 -0.832 -1.454 1.00 0.00 C ATOM 964 O SER A 48 2.607 -0.110 -0.641 1.00 0.00 O ATOM 965 CB SER A 48 3.509 0.799 -3.354 1.00 0.00 C ATOM 966 OG SER A 48 2.911 1.197 -4.586 1.00 0.00 O ATOM 0 H SER A 48 0.989 0.126 -2.810 1.00 0.00 H new ATOM 0 HA SER A 48 3.549 -1.367 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.274 1.523 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.594 0.780 -3.454 1.00 0.00 H new ATOM 0 HG SER A 48 2.036 1.602 -4.409 1.00 0.00 H new ATOM 972 N PHE A 49 3.875 -1.857 -1.084 1.00 0.00 N ATOM 973 CA PHE A 49 4.055 -2.176 0.366 1.00 0.00 C ATOM 974 C PHE A 49 5.531 -2.472 0.651 1.00 0.00 C ATOM 975 O PHE A 49 6.046 -3.510 0.276 1.00 0.00 O ATOM 976 CB PHE A 49 3.188 -3.427 0.558 1.00 0.00 C ATOM 977 CG PHE A 49 2.995 -3.745 2.024 1.00 0.00 C ATOM 978 CD1 PHE A 49 4.087 -4.131 2.811 1.00 0.00 C ATOM 979 CD2 PHE A 49 1.716 -3.676 2.588 1.00 0.00 C ATOM 980 CE1 PHE A 49 3.899 -4.446 4.162 1.00 0.00 C ATOM 981 CE2 PHE A 49 1.528 -3.996 3.939 1.00 0.00 C ATOM 982 CZ PHE A 49 2.620 -4.378 4.726 1.00 0.00 C ATOM 0 H PHE A 49 4.349 -2.492 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 49 3.772 -1.365 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.217 -3.275 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.655 -4.276 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.074 -4.186 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.874 -3.376 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.742 -4.742 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.540 -3.948 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.476 -4.620 5.769 1.00 0.00 H new ATOM 992 N ARG A 50 6.218 -1.573 1.313 1.00 0.00 N ATOM 993 CA ARG A 50 7.663 -1.818 1.608 1.00 0.00 C ATOM 994 C ARG A 50 7.847 -2.347 3.034 1.00 0.00 C ATOM 995 O ARG A 50 7.521 -1.682 4.000 1.00 0.00 O ATOM 996 CB ARG A 50 8.358 -0.461 1.442 1.00 0.00 C ATOM 997 CG ARG A 50 9.864 -0.675 1.332 1.00 0.00 C ATOM 998 CD ARG A 50 10.508 -0.427 2.693 1.00 0.00 C ATOM 999 NE ARG A 50 11.968 -0.574 2.447 1.00 0.00 N ATOM 1000 CZ ARG A 50 12.716 0.476 2.363 1.00 0.00 C ATOM 1001 NH1 ARG A 50 13.239 0.974 3.436 1.00 0.00 N ATOM 1002 NH2 ARG A 50 12.931 1.018 1.209 1.00 0.00 N ATOM 0 H ARG A 50 5.845 -0.689 1.659 1.00 0.00 H new ATOM 0 HA ARG A 50 8.083 -2.570 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.985 0.045 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.132 0.183 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.075 -1.690 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.286 0.001 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.267 0.567 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.156 -1.144 3.435 1.00 0.00 H new ATOM 0 HE ARG A 50 12.378 -1.502 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.060 0.538 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.831 1.803 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.511 0.616 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.521 1.847 1.137 1.00 0.00 H new ATOM 1016 N ALA A 51 8.383 -3.537 3.161 1.00 0.00 N ATOM 1017 CA ALA A 51 8.619 -4.132 4.509 1.00 0.00 C ATOM 1018 C ALA A 51 10.107 -4.485 4.661 1.00 0.00 C ATOM 1019 O ALA A 51 10.807 -4.702 3.685 1.00 0.00 O ATOM 1020 CB ALA A 51 7.752 -5.390 4.545 1.00 0.00 C ATOM 0 H ALA A 51 8.669 -4.125 2.378 1.00 0.00 H new ATOM 0 HA ALA A 51 8.366 -3.451 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.871 -5.886 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.707 -5.115 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.060 -6.067 3.748 1.00 0.00 H new ATOM 1026 N GLU A 52 10.600 -4.527 5.870 1.00 0.00 N ATOM 1027 CA GLU A 52 12.052 -4.842 6.082 1.00 0.00 C ATOM 1028 C GLU A 52 12.418 -6.253 5.588 1.00 0.00 C ATOM 1029 O GLU A 52 12.050 -7.252 6.175 1.00 0.00 O ATOM 1030 CB GLU A 52 12.299 -4.704 7.593 1.00 0.00 C ATOM 1031 CG GLU A 52 11.261 -5.496 8.414 1.00 0.00 C ATOM 1032 CD GLU A 52 11.616 -5.403 9.897 1.00 0.00 C ATOM 1033 OE1 GLU A 52 11.859 -4.295 10.359 1.00 0.00 O ATOM 1034 OE2 GLU A 52 11.653 -6.432 10.551 1.00 0.00 O ATOM 0 H GLU A 52 10.065 -4.358 6.722 1.00 0.00 H new ATOM 0 HA GLU A 52 12.680 -4.161 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.301 -5.060 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.259 -3.652 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.262 -5.096 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.247 -6.538 8.096 1.00 0.00 H new ATOM 1041 N GLY A 53 13.164 -6.327 4.510 1.00 0.00 N ATOM 1042 CA GLY A 53 13.590 -7.655 3.963 1.00 0.00 C ATOM 1043 C GLY A 53 12.436 -8.349 3.230 1.00 0.00 C ATOM 1044 O GLY A 53 12.426 -9.557 3.102 1.00 0.00 O ATOM 0 H GLY A 53 13.498 -5.520 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.428 -7.518 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.942 -8.290 4.776 1.00 0.00 H new ATOM 1048 N LYS A 54 11.466 -7.610 2.742 1.00 0.00 N ATOM 1049 CA LYS A 54 10.328 -8.263 2.017 1.00 0.00 C ATOM 1050 C LYS A 54 9.485 -7.223 1.263 1.00 0.00 C ATOM 1051 O LYS A 54 8.959 -6.295 1.846 1.00 0.00 O ATOM 1052 CB LYS A 54 9.501 -8.939 3.116 1.00 0.00 C ATOM 1053 CG LYS A 54 8.283 -9.635 2.495 1.00 0.00 C ATOM 1054 CD LYS A 54 7.877 -10.855 3.338 1.00 0.00 C ATOM 1055 CE LYS A 54 7.814 -10.495 4.831 1.00 0.00 C ATOM 1056 NZ LYS A 54 6.896 -9.320 4.923 1.00 0.00 N ATOM 0 H LYS A 54 11.413 -6.594 2.813 1.00 0.00 H new ATOM 0 HA LYS A 54 10.676 -8.973 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.113 -9.665 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.175 -8.198 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.450 -8.935 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.515 -9.949 1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.906 -11.223 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.593 -11.662 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.440 -11.332 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.803 -10.250 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.554 -9.222 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.407 -8.457 4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.086 -9.461 4.286 1.00 0.00 H new ATOM 1070 N ILE A 55 9.345 -7.381 -0.030 1.00 0.00 N ATOM 1071 CA ILE A 55 8.524 -6.413 -0.823 1.00 0.00 C ATOM 1072 C ILE A 55 7.778 -7.145 -1.946 1.00 0.00 C ATOM 1073 O ILE A 55 8.329 -7.998 -2.618 1.00 0.00 O ATOM 1074 CB ILE A 55 9.526 -5.399 -1.392 1.00 0.00 C ATOM 1075 CG1 ILE A 55 9.600 -4.195 -0.451 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.071 -4.919 -2.776 1.00 0.00 C ATOM 1077 CD1 ILE A 55 11.060 -3.896 -0.119 1.00 0.00 C ATOM 0 H ILE A 55 9.763 -8.138 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 55 7.765 -5.921 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 55 10.502 -5.875 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.137 -3.326 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.043 -4.400 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.791 -4.200 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.004 -5.771 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.093 -4.444 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.112 -3.038 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.508 -4.763 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.604 -3.673 -1.037 1.00 0.00 H new ATOM 1089 N LYS A 56 6.532 -6.804 -2.155 1.00 0.00 N ATOM 1090 CA LYS A 56 5.732 -7.455 -3.241 1.00 0.00 C ATOM 1091 C LYS A 56 4.527 -6.568 -3.598 1.00 0.00 C ATOM 1092 O LYS A 56 3.923 -5.955 -2.738 1.00 0.00 O ATOM 1093 CB LYS A 56 5.285 -8.817 -2.673 1.00 0.00 C ATOM 1094 CG LYS A 56 4.045 -8.655 -1.786 1.00 0.00 C ATOM 1095 CD LYS A 56 3.348 -10.008 -1.617 1.00 0.00 C ATOM 1096 CE LYS A 56 1.866 -9.786 -1.289 1.00 0.00 C ATOM 1097 NZ LYS A 56 1.654 -10.477 0.014 1.00 0.00 N ATOM 0 H LYS A 56 6.030 -6.098 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 56 6.306 -7.591 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.066 -9.503 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.096 -9.259 -2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.333 -8.260 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.359 -7.935 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.445 -10.595 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.826 -10.578 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.632 -8.724 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.223 -10.201 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.723 -10.217 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.695 -11.506 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.396 -10.190 0.684 1.00 0.00 H new ATOM 1111 N HIS A 57 4.186 -6.478 -4.854 1.00 0.00 N ATOM 1112 CA HIS A 57 3.028 -5.621 -5.255 1.00 0.00 C ATOM 1113 C HIS A 57 2.487 -6.062 -6.617 1.00 0.00 C ATOM 1114 O HIS A 57 3.241 -6.333 -7.537 1.00 0.00 O ATOM 1115 CB HIS A 57 3.571 -4.188 -5.305 1.00 0.00 C ATOM 1116 CG HIS A 57 4.901 -4.129 -6.021 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.128 -4.772 -7.231 1.00 0.00 N ATOM 1118 CD2 HIS A 57 6.080 -3.501 -5.709 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.396 -4.515 -7.596 1.00 0.00 C ATOM 1120 NE2 HIS A 57 7.022 -3.746 -6.704 1.00 0.00 N ATOM 0 H HIS A 57 4.656 -6.959 -5.621 1.00 0.00 H new ATOM 0 HA HIS A 57 2.197 -5.700 -4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.854 -3.543 -5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.684 -3.804 -4.291 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.455 -5.337 -7.749 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.252 -2.906 -4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.852 -4.886 -8.502 1.00 0.00 H new ATOM 1128 N CYS A 58 1.192 -6.143 -6.757 1.00 0.00 N ATOM 1129 CA CYS A 58 0.616 -6.586 -8.059 1.00 0.00 C ATOM 1130 C CYS A 58 -0.710 -5.871 -8.373 1.00 0.00 C ATOM 1131 O CYS A 58 -1.030 -4.852 -7.788 1.00 0.00 O ATOM 1132 CB CYS A 58 0.426 -8.091 -7.934 1.00 0.00 C ATOM 1133 SG CYS A 58 2.001 -8.888 -7.517 1.00 0.00 S ATOM 0 H CYS A 58 0.511 -5.923 -6.030 1.00 0.00 H new ATOM 0 HA CYS A 58 1.278 -6.336 -8.888 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.315 -8.309 -7.165 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.042 -8.496 -8.870 1.00 0.00 H new ATOM 0 HG CYS A 58 2.972 -8.037 -7.671 1.00 0.00 H new ATOM 1139 N ARG A 59 -1.446 -6.365 -9.345 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.714 -5.685 -9.767 1.00 0.00 C ATOM 1141 C ARG A 59 -3.968 -6.074 -8.953 1.00 0.00 C ATOM 1142 O ARG A 59 -4.164 -7.198 -8.529 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.899 -6.077 -11.235 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.630 -7.423 -11.359 1.00 0.00 C ATOM 1145 CD ARG A 59 -5.148 -7.184 -11.418 1.00 0.00 C ATOM 1146 NE ARG A 59 -5.770 -8.536 -11.602 1.00 0.00 N ATOM 1147 CZ ARG A 59 -5.485 -9.533 -10.803 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -5.023 -9.332 -9.604 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -5.671 -10.751 -11.209 1.00 0.00 N ATOM 0 H ARG A 59 -1.221 -7.213 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.617 -4.612 -9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.465 -5.303 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.926 -6.141 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.299 -7.946 -12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.385 -8.061 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.505 -6.711 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.407 -6.519 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.429 -8.682 -12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.875 -8.381 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.809 -10.126 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.037 -10.926 -12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.451 -11.533 -10.592 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.836 -5.114 -8.795 1.00 0.00 N ATOM 1164 CA VAL A 60 -6.129 -5.301 -8.076 1.00 0.00 C ATOM 1165 C VAL A 60 -7.272 -5.099 -9.090 1.00 0.00 C ATOM 1166 O VAL A 60 -7.103 -4.412 -10.086 1.00 0.00 O ATOM 1167 CB VAL A 60 -6.127 -4.187 -7.014 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -7.431 -4.201 -6.213 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -4.950 -4.389 -6.057 1.00 0.00 C ATOM 0 H VAL A 60 -4.695 -4.168 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.256 -6.285 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.034 -3.228 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.409 -3.406 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.273 -4.044 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.541 -5.163 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.952 -3.599 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.043 -5.357 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.016 -4.355 -6.617 1.00 0.00 H new ATOM 1179 N GLN A 61 -8.423 -5.675 -8.859 1.00 0.00 N ATOM 1180 CA GLN A 61 -9.558 -5.503 -9.824 1.00 0.00 C ATOM 1181 C GLN A 61 -10.422 -4.315 -9.393 1.00 0.00 C ATOM 1182 O GLN A 61 -11.106 -4.370 -8.392 1.00 0.00 O ATOM 1183 CB GLN A 61 -10.369 -6.808 -9.747 1.00 0.00 C ATOM 1184 CG GLN A 61 -9.471 -8.017 -10.055 1.00 0.00 C ATOM 1185 CD GLN A 61 -8.924 -8.605 -8.750 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -7.753 -8.476 -8.461 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -9.723 -9.249 -7.947 1.00 0.00 N ATOM 0 H GLN A 61 -8.629 -6.256 -8.047 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.210 -5.309 -10.838 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.805 -6.915 -8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.196 -6.772 -10.456 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.038 -8.774 -10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.647 -7.714 -10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.708 -9.359 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.363 -9.643 -7.078 1.00 0.00 H new ATOM 1196 N GLN A 62 -10.400 -3.240 -10.131 1.00 0.00 N ATOM 1197 CA GLN A 62 -11.222 -2.057 -9.734 1.00 0.00 C ATOM 1198 C GLN A 62 -12.573 -2.040 -10.465 1.00 0.00 C ATOM 1199 O GLN A 62 -12.658 -2.291 -11.655 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.361 -0.832 -10.094 1.00 0.00 C ATOM 1201 CG GLN A 62 -10.693 -0.333 -11.508 1.00 0.00 C ATOM 1202 CD GLN A 62 -9.524 0.491 -12.053 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -8.577 -0.053 -12.583 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -9.550 1.789 -11.951 1.00 0.00 N ATOM 0 H GLN A 62 -9.854 -3.127 -10.985 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.472 -2.073 -8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.534 -0.034 -9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.304 -1.093 -10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.891 -1.180 -12.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.599 0.273 -11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.344 2.250 -11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.776 2.345 -12.316 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.623 -1.731 -9.749 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.980 -1.666 -10.370 1.00 0.00 C ATOM 1215 C GLU A 63 -15.695 -0.418 -9.841 1.00 0.00 C ATOM 1216 O GLU A 63 -15.558 -0.071 -8.678 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.689 -2.953 -9.921 1.00 0.00 C ATOM 1218 CG GLU A 63 -17.211 -2.807 -10.084 1.00 0.00 C ATOM 1219 CD GLU A 63 -17.592 -2.846 -11.567 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -17.357 -1.859 -12.247 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -18.118 -3.859 -11.994 1.00 0.00 O ATOM 0 H GLU A 63 -13.598 -1.519 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.960 -1.597 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.332 -3.798 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.446 -3.166 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.720 -3.609 -9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.543 -1.868 -9.641 1.00 0.00 H new ATOM 1228 N GLY A 64 -16.455 0.265 -10.662 1.00 0.00 N ATOM 1229 CA GLY A 64 -17.157 1.480 -10.151 1.00 0.00 C ATOM 1230 C GLY A 64 -18.311 1.024 -9.264 1.00 0.00 C ATOM 1231 O GLY A 64 -19.434 0.920 -9.709 1.00 0.00 O ATOM 0 H GLY A 64 -16.617 0.039 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.468 2.108 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.529 2.081 -10.980 1.00 0.00 H new ATOM 1235 N GLN A 65 -18.009 0.762 -8.009 1.00 0.00 N ATOM 1236 CA GLN A 65 -19.020 0.292 -7.002 1.00 0.00 C ATOM 1237 C GLN A 65 -18.302 -0.564 -5.957 1.00 0.00 C ATOM 1238 O GLN A 65 -18.574 -0.467 -4.774 1.00 0.00 O ATOM 1239 CB GLN A 65 -20.057 -0.567 -7.743 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.986 -1.232 -6.720 1.00 0.00 C ATOM 1241 CD GLN A 65 -22.092 -0.257 -6.314 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -22.884 0.159 -7.131 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -22.184 0.129 -5.075 1.00 0.00 N ATOM 0 H GLN A 65 -17.067 0.859 -7.630 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.509 1.134 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.636 0.052 -8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.556 -1.326 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.423 -2.135 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.417 -1.536 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.520 -0.218 -4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -22.920 0.778 -4.796 1.00 0.00 H new ATOM 1252 N THR A 66 -17.385 -1.412 -6.384 1.00 0.00 N ATOM 1253 CA THR A 66 -16.657 -2.280 -5.403 1.00 0.00 C ATOM 1254 C THR A 66 -15.357 -2.846 -6.004 1.00 0.00 C ATOM 1255 O THR A 66 -15.374 -3.817 -6.739 1.00 0.00 O ATOM 1256 CB THR A 66 -17.625 -3.434 -5.072 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.829 -2.928 -4.503 1.00 0.00 O ATOM 1258 CG2 THR A 66 -16.972 -4.389 -4.076 1.00 0.00 C ATOM 0 H THR A 66 -17.115 -1.536 -7.360 1.00 0.00 H new ATOM 0 HA THR A 66 -16.370 -1.709 -4.520 1.00 0.00 H new ATOM 0 HB THR A 66 -17.857 -3.962 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.655 -2.056 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.661 -5.202 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.059 -4.798 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.729 -3.850 -3.160 1.00 0.00 H new ATOM 1266 N VAL A 67 -14.231 -2.265 -5.674 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.924 -2.786 -6.195 1.00 0.00 C ATOM 1268 C VAL A 67 -12.576 -4.109 -5.490 1.00 0.00 C ATOM 1269 O VAL A 67 -12.939 -4.331 -4.351 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.886 -1.712 -5.827 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -10.510 -2.078 -6.390 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -12.317 -0.353 -6.388 1.00 0.00 C ATOM 0 H VAL A 67 -14.157 -1.450 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.955 -2.977 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.822 -1.656 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.789 -1.306 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.190 -3.034 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.570 -2.154 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.576 0.402 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.398 -0.416 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.284 -0.076 -5.968 1.00 0.00 H new ATOM 1282 N MET A 68 -11.869 -4.982 -6.150 1.00 0.00 N ATOM 1283 CA MET A 68 -11.493 -6.275 -5.509 1.00 0.00 C ATOM 1284 C MET A 68 -10.003 -6.557 -5.713 1.00 0.00 C ATOM 1285 O MET A 68 -9.508 -6.542 -6.821 1.00 0.00 O ATOM 1286 CB MET A 68 -12.330 -7.337 -6.226 1.00 0.00 C ATOM 1287 CG MET A 68 -12.207 -8.675 -5.493 1.00 0.00 C ATOM 1288 SD MET A 68 -13.233 -9.908 -6.327 1.00 0.00 S ATOM 1289 CE MET A 68 -14.533 -10.008 -5.072 1.00 0.00 C ATOM 0 H MET A 68 -11.535 -4.858 -7.106 1.00 0.00 H new ATOM 0 HA MET A 68 -11.675 -6.263 -4.434 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.374 -7.027 -6.263 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.993 -7.444 -7.257 1.00 0.00 H new ATOM 0 HG2 MET A 68 -11.167 -9.000 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.522 -8.565 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.340 -10.645 -5.434 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.122 -10.430 -4.155 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.921 -9.010 -4.870 1.00 0.00 H new ATOM 1299 N LEU A 69 -9.290 -6.842 -4.661 1.00 0.00 N ATOM 1300 CA LEU A 69 -7.839 -7.157 -4.813 1.00 0.00 C ATOM 1301 C LEU A 69 -7.701 -8.624 -5.245 1.00 0.00 C ATOM 1302 O LEU A 69 -8.689 -9.319 -5.405 1.00 0.00 O ATOM 1303 CB LEU A 69 -7.245 -6.951 -3.417 1.00 0.00 C ATOM 1304 CG LEU A 69 -5.724 -6.860 -3.528 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -5.247 -5.520 -2.982 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -5.077 -7.997 -2.733 1.00 0.00 C ATOM 0 H LEU A 69 -9.645 -6.871 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.337 -6.538 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.644 -6.041 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.525 -7.777 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.437 -6.945 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.162 -5.460 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.699 -4.711 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.538 -5.429 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.992 -7.927 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.367 -7.919 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.410 -8.955 -3.131 1.00 0.00 H new ATOM 1318 N GLY A 70 -6.506 -9.124 -5.424 1.00 0.00 N ATOM 1319 CA GLY A 70 -6.387 -10.551 -5.827 1.00 0.00 C ATOM 1320 C GLY A 70 -6.376 -11.381 -4.550 1.00 0.00 C ATOM 1321 O GLY A 70 -5.338 -11.723 -4.019 1.00 0.00 O ATOM 0 H GLY A 70 -5.628 -8.618 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.221 -10.841 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.474 -10.714 -6.400 1.00 0.00 H new ATOM 1325 N ASN A 71 -7.557 -11.679 -4.065 1.00 0.00 N ATOM 1326 CA ASN A 71 -7.735 -12.469 -2.803 1.00 0.00 C ATOM 1327 C ASN A 71 -9.219 -12.423 -2.394 1.00 0.00 C ATOM 1328 O ASN A 71 -9.827 -13.440 -2.127 1.00 0.00 O ATOM 1329 CB ASN A 71 -6.866 -11.779 -1.740 1.00 0.00 C ATOM 1330 CG ASN A 71 -5.822 -12.767 -1.211 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -5.957 -13.285 -0.126 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -4.782 -13.051 -1.938 1.00 0.00 N ATOM 0 H ASN A 71 -8.433 -11.399 -4.505 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.445 -13.513 -2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.372 -10.907 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.490 -11.421 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.083 -13.709 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.665 -12.616 -2.853 1.00 0.00 H new ATOM 1339 N SER A 72 -9.809 -11.242 -2.365 1.00 0.00 N ATOM 1340 CA SER A 72 -11.262 -11.118 -1.999 1.00 0.00 C ATOM 1341 C SER A 72 -11.770 -9.685 -2.233 1.00 0.00 C ATOM 1342 O SER A 72 -11.047 -8.828 -2.714 1.00 0.00 O ATOM 1343 CB SER A 72 -11.351 -11.471 -0.514 1.00 0.00 C ATOM 1344 OG SER A 72 -12.724 -11.535 -0.136 1.00 0.00 O ATOM 0 H SER A 72 -9.344 -10.360 -2.580 1.00 0.00 H new ATOM 0 HA SER A 72 -11.877 -11.776 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.863 -12.427 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.830 -10.723 0.083 1.00 0.00 H new ATOM 0 HG SER A 72 -12.791 -11.763 0.815 1.00 0.00 H new ATOM 1350 N GLU A 73 -13.005 -9.417 -1.884 1.00 0.00 N ATOM 1351 CA GLU A 73 -13.562 -8.039 -2.073 1.00 0.00 C ATOM 1352 C GLU A 73 -12.979 -7.091 -1.019 1.00 0.00 C ATOM 1353 O GLU A 73 -12.740 -7.474 0.112 1.00 0.00 O ATOM 1354 CB GLU A 73 -15.079 -8.182 -1.898 1.00 0.00 C ATOM 1355 CG GLU A 73 -15.766 -6.851 -2.230 1.00 0.00 C ATOM 1356 CD GLU A 73 -17.110 -6.765 -1.502 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -18.071 -7.327 -2.001 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -17.153 -6.137 -0.457 1.00 0.00 O ATOM 0 H GLU A 73 -13.652 -10.092 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.313 -7.624 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.457 -8.970 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.310 -8.476 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.128 -6.018 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.919 -6.769 -3.306 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.739 -5.860 -1.390 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.157 -4.875 -0.427 1.00 0.00 C ATOM 1367 C PHE A 74 -12.632 -3.465 -0.781 1.00 0.00 C ATOM 1368 O PHE A 74 -13.022 -3.208 -1.902 1.00 0.00 O ATOM 1369 CB PHE A 74 -10.645 -4.986 -0.642 1.00 0.00 C ATOM 1370 CG PHE A 74 -10.028 -5.766 0.487 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -9.730 -5.121 1.686 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -9.759 -7.129 0.336 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -9.160 -5.838 2.744 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -9.188 -7.850 1.390 1.00 0.00 C ATOM 1375 CZ PHE A 74 -8.888 -7.204 2.596 1.00 0.00 C ATOM 0 H PHE A 74 -12.922 -5.492 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.449 -5.069 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.438 -5.478 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.202 -3.992 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.939 -4.067 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.992 -7.626 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.930 -5.339 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.979 -8.903 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.447 -7.759 3.411 1.00 0.00 H new ATOM 1385 N ASP A 75 -12.594 -2.536 0.137 1.00 0.00 N ATOM 1386 CA ASP A 75 -13.043 -1.166 -0.231 1.00 0.00 C ATOM 1387 C ASP A 75 -11.922 -0.425 -0.980 1.00 0.00 C ATOM 1388 O ASP A 75 -10.924 -0.002 -0.427 1.00 0.00 O ATOM 1389 CB ASP A 75 -13.409 -0.450 1.077 1.00 0.00 C ATOM 1390 CG ASP A 75 -14.147 0.867 0.775 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -14.466 1.109 -0.384 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -14.377 1.613 1.711 1.00 0.00 O ATOM 0 H ASP A 75 -12.280 -2.662 1.099 1.00 0.00 H new ATOM 0 HA ASP A 75 -13.905 -1.196 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.038 -1.096 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -12.506 -0.246 1.653 1.00 0.00 H new ATOM 1397 N SER A 76 -12.145 -0.275 -2.251 1.00 0.00 N ATOM 1398 CA SER A 76 -11.219 0.437 -3.198 1.00 0.00 C ATOM 1399 C SER A 76 -9.755 0.521 -2.735 1.00 0.00 C ATOM 1400 O SER A 76 -9.241 1.602 -2.547 1.00 0.00 O ATOM 1401 CB SER A 76 -11.827 1.838 -3.313 1.00 0.00 C ATOM 1402 OG SER A 76 -13.218 1.726 -3.617 1.00 0.00 O ATOM 0 H SER A 76 -12.982 -0.637 -2.707 1.00 0.00 H new ATOM 0 HA SER A 76 -11.152 -0.108 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.690 2.384 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.317 2.405 -4.092 1.00 0.00 H new ATOM 0 HG SER A 76 -13.610 2.621 -3.689 1.00 0.00 H new ATOM 1408 N LEU A 77 -9.068 -0.600 -2.595 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.605 -0.586 -2.182 1.00 0.00 C ATOM 1410 C LEU A 77 -7.406 0.063 -0.801 1.00 0.00 C ATOM 1411 O LEU A 77 -6.813 -0.520 0.096 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.873 0.238 -3.254 1.00 0.00 C ATOM 1413 CG LEU A 77 -7.208 -0.288 -4.655 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -7.386 0.887 -5.621 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -6.069 -1.177 -5.156 1.00 0.00 C ATOM 0 H LEU A 77 -9.456 -1.531 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.222 -1.604 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.160 1.287 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.797 0.188 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.132 -0.865 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.624 0.508 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.198 1.525 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.463 1.465 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.309 -1.550 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.147 -0.598 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.938 -2.018 -4.476 1.00 0.00 H new ATOM 1427 N VAL A 78 -7.900 1.264 -0.637 1.00 0.00 N ATOM 1428 CA VAL A 78 -7.781 1.994 0.653 1.00 0.00 C ATOM 1429 C VAL A 78 -8.196 1.100 1.821 1.00 0.00 C ATOM 1430 O VAL A 78 -7.751 1.290 2.927 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.747 3.173 0.512 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -10.183 2.659 0.323 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -8.682 4.028 1.770 1.00 0.00 C ATOM 0 H VAL A 78 -8.393 1.779 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.758 2.312 0.856 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.462 3.766 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.862 3.506 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.234 2.045 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.472 2.061 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.369 4.869 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.964 3.426 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.667 4.402 1.904 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.042 0.134 1.583 1.00 0.00 N ATOM 1444 CA ASP A 79 -9.475 -0.769 2.684 1.00 0.00 C ATOM 1445 C ASP A 79 -8.272 -1.542 3.252 1.00 0.00 C ATOM 1446 O ASP A 79 -7.814 -1.268 4.346 1.00 0.00 O ATOM 1447 CB ASP A 79 -10.470 -1.719 2.036 1.00 0.00 C ATOM 1448 CG ASP A 79 -11.178 -2.550 3.113 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -10.507 -3.040 4.006 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -12.380 -2.693 3.015 1.00 0.00 O ATOM 0 H ASP A 79 -9.452 -0.068 0.671 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.914 -0.223 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.203 -1.154 1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.955 -2.378 1.337 1.00 0.00 H new ATOM 1455 N LEU A 80 -7.758 -2.508 2.519 1.00 0.00 N ATOM 1456 CA LEU A 80 -6.583 -3.291 3.038 1.00 0.00 C ATOM 1457 C LEU A 80 -5.415 -2.342 3.334 1.00 0.00 C ATOM 1458 O LEU A 80 -4.700 -2.526 4.303 1.00 0.00 O ATOM 1459 CB LEU A 80 -6.176 -4.397 2.021 1.00 0.00 C ATOM 1460 CG LEU A 80 -6.561 -4.078 0.568 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -5.501 -3.180 -0.070 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -6.642 -5.386 -0.221 1.00 0.00 C ATOM 0 H LEU A 80 -8.095 -2.785 1.597 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.862 -3.786 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.098 -4.549 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.645 -5.336 2.313 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.523 -3.565 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.783 -2.960 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.426 -2.250 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.538 -3.690 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.915 -5.171 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.674 -5.886 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.396 -6.034 0.226 1.00 0.00 H new ATOM 1474 N ILE A 81 -5.236 -1.293 2.557 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.134 -0.331 2.885 1.00 0.00 C ATOM 1476 C ILE A 81 -4.480 0.334 4.225 1.00 0.00 C ATOM 1477 O ILE A 81 -3.629 0.522 5.076 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.078 0.690 1.732 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -3.784 -0.032 0.410 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -2.965 1.703 1.993 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.456 -0.800 0.507 1.00 0.00 C ATOM 0 H ILE A 81 -5.791 -1.067 1.731 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.160 -0.810 2.984 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.039 1.201 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.595 -0.722 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.736 0.691 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.929 2.423 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.161 2.226 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.009 1.184 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.259 -1.308 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.646 -0.102 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.519 -1.536 1.308 1.00 0.00 H new ATOM 1493 N SER A 82 -5.746 0.633 4.440 1.00 0.00 N ATOM 1494 CA SER A 82 -6.174 1.221 5.747 1.00 0.00 C ATOM 1495 C SER A 82 -5.942 0.176 6.835 1.00 0.00 C ATOM 1496 O SER A 82 -5.414 0.469 7.893 1.00 0.00 O ATOM 1497 CB SER A 82 -7.666 1.526 5.620 1.00 0.00 C ATOM 1498 OG SER A 82 -7.832 2.755 4.925 1.00 0.00 O ATOM 0 H SER A 82 -6.497 0.493 3.764 1.00 0.00 H new ATOM 0 HA SER A 82 -5.620 2.125 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.170 0.721 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.123 1.588 6.608 1.00 0.00 H new ATOM 0 HG SER A 82 -7.524 2.652 4.000 1.00 0.00 H new ATOM 1504 N TYR A 83 -6.302 -1.060 6.557 1.00 0.00 N ATOM 1505 CA TYR A 83 -6.067 -2.154 7.545 1.00 0.00 C ATOM 1506 C TYR A 83 -4.573 -2.191 7.874 1.00 0.00 C ATOM 1507 O TYR A 83 -4.184 -2.362 9.009 1.00 0.00 O ATOM 1508 CB TYR A 83 -6.508 -3.443 6.842 1.00 0.00 C ATOM 1509 CG TYR A 83 -7.099 -4.395 7.856 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -6.281 -4.989 8.826 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -8.467 -4.685 7.824 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -6.833 -5.872 9.764 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -9.019 -5.568 8.760 1.00 0.00 C ATOM 1514 CZ TYR A 83 -8.203 -6.162 9.730 1.00 0.00 C ATOM 1515 OH TYR A 83 -8.748 -7.032 10.651 1.00 0.00 O ATOM 0 H TYR A 83 -6.748 -1.352 5.687 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.614 -2.018 8.478 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.243 -3.215 6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.657 -3.908 6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.224 -4.766 8.851 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.098 -4.227 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.202 -6.329 10.513 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.075 -5.791 8.734 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.710 -7.121 10.487 1.00 0.00 H new ATOM 1525 N TYR A 84 -3.733 -1.994 6.880 1.00 0.00 N ATOM 1526 CA TYR A 84 -2.257 -1.975 7.128 1.00 0.00 C ATOM 1527 C TYR A 84 -1.897 -0.749 7.975 1.00 0.00 C ATOM 1528 O TYR A 84 -1.095 -0.836 8.883 1.00 0.00 O ATOM 1529 CB TYR A 84 -1.606 -1.896 5.743 1.00 0.00 C ATOM 1530 CG TYR A 84 -1.690 -3.243 5.071 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -1.424 -4.407 5.801 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -2.041 -3.328 3.719 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -1.510 -5.653 5.178 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -2.125 -4.578 3.096 1.00 0.00 C ATOM 1535 CZ TYR A 84 -1.860 -5.739 3.826 1.00 0.00 C ATOM 1536 OH TYR A 84 -1.950 -6.970 3.216 1.00 0.00 O ATOM 0 H TYR A 84 -4.009 -1.846 5.909 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.914 -2.856 7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.108 -1.143 5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.564 -1.588 5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.153 -4.341 6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.247 -2.429 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.306 -6.552 5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.394 -4.645 2.052 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.864 -7.676 3.890 1.00 0.00 H new ATOM 1546 N GLU A 85 -2.512 0.387 7.716 1.00 0.00 N ATOM 1547 CA GLU A 85 -2.221 1.600 8.554 1.00 0.00 C ATOM 1548 C GLU A 85 -2.567 1.267 10.006 1.00 0.00 C ATOM 1549 O GLU A 85 -1.885 1.652 10.940 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.137 2.711 8.004 1.00 0.00 C ATOM 1551 CG GLU A 85 -3.449 3.753 9.101 1.00 0.00 C ATOM 1552 CD GLU A 85 -2.534 4.977 8.974 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -2.195 5.335 7.862 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -2.210 5.551 9.999 1.00 0.00 O ATOM 0 H GLU A 85 -3.194 0.525 6.970 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.178 1.913 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.656 3.200 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.065 2.275 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.491 4.064 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.322 3.300 10.084 1.00 0.00 H new ATOM 1561 N LYS A 86 -3.626 0.536 10.194 1.00 0.00 N ATOM 1562 CA LYS A 86 -4.047 0.147 11.565 1.00 0.00 C ATOM 1563 C LYS A 86 -3.168 -1.003 12.100 1.00 0.00 C ATOM 1564 O LYS A 86 -2.754 -0.983 13.247 1.00 0.00 O ATOM 1565 CB LYS A 86 -5.503 -0.283 11.387 1.00 0.00 C ATOM 1566 CG LYS A 86 -6.422 0.864 11.807 1.00 0.00 C ATOM 1567 CD LYS A 86 -6.562 1.850 10.641 1.00 0.00 C ATOM 1568 CE LYS A 86 -7.205 3.148 11.136 1.00 0.00 C ATOM 1569 NZ LYS A 86 -6.082 3.943 11.716 1.00 0.00 N ATOM 0 H LYS A 86 -4.226 0.187 9.446 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.942 0.951 12.293 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.690 -0.553 10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.709 -1.169 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.400 0.477 12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.014 1.371 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.583 2.059 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.171 1.410 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.687 3.685 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.973 2.947 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.467 4.736 12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.511 3.335 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.485 4.312 10.948 1.00 0.00 H new ATOM 1583 N HIS A 87 -2.870 -1.990 11.287 1.00 0.00 N ATOM 1584 CA HIS A 87 -2.015 -3.131 11.757 1.00 0.00 C ATOM 1585 C HIS A 87 -0.921 -3.483 10.719 1.00 0.00 C ATOM 1586 O HIS A 87 -1.060 -4.423 9.959 1.00 0.00 O ATOM 1587 CB HIS A 87 -2.996 -4.296 11.944 1.00 0.00 C ATOM 1588 CG HIS A 87 -3.245 -4.512 13.413 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -3.631 -3.484 14.256 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -3.163 -5.632 14.203 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -3.767 -3.999 15.491 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -3.494 -5.305 15.515 1.00 0.00 N ATOM 0 H HIS A 87 -3.181 -2.056 10.318 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.480 -2.890 12.675 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.934 -4.081 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.590 -5.203 11.496 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.785 -2.512 13.989 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.884 -6.617 13.859 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.061 -3.426 16.358 1.00 0.00 H new ATOM 1600 N PRO A 88 0.145 -2.709 10.743 1.00 0.00 N ATOM 1601 CA PRO A 88 1.297 -2.917 9.827 1.00 0.00 C ATOM 1602 C PRO A 88 2.359 -3.813 10.506 1.00 0.00 C ATOM 1603 O PRO A 88 2.522 -4.965 10.160 1.00 0.00 O ATOM 1604 CB PRO A 88 1.800 -1.487 9.616 1.00 0.00 C ATOM 1605 CG PRO A 88 1.332 -0.703 10.819 1.00 0.00 C ATOM 1606 CD PRO A 88 0.380 -1.565 11.614 1.00 0.00 C ATOM 0 HA PRO A 88 1.052 -3.421 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.887 -1.463 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.400 -1.064 8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.183 -0.411 11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.837 0.215 10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.814 -1.869 12.566 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.546 -1.036 11.840 1.00 0.00 H new ATOM 1614 N LEU A 89 3.039 -3.284 11.501 1.00 0.00 N ATOM 1615 CA LEU A 89 4.062 -4.064 12.289 1.00 0.00 C ATOM 1616 C LEU A 89 5.291 -4.506 11.463 1.00 0.00 C ATOM 1617 O LEU A 89 5.319 -5.566 10.871 1.00 0.00 O ATOM 1618 CB LEU A 89 3.304 -5.278 12.855 1.00 0.00 C ATOM 1619 CG LEU A 89 2.210 -4.837 13.855 1.00 0.00 C ATOM 1620 CD1 LEU A 89 2.491 -3.431 14.409 1.00 0.00 C ATOM 1621 CD2 LEU A 89 0.852 -4.838 13.148 1.00 0.00 C ATOM 0 H LEU A 89 2.926 -2.318 11.810 1.00 0.00 H new ATOM 0 HA LEU A 89 4.487 -3.432 13.069 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.849 -5.839 12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.005 -5.949 13.351 1.00 0.00 H new ATOM 0 HG LEU A 89 2.206 -5.538 14.689 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.703 -3.151 15.109 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.452 -3.428 14.924 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.518 -2.715 13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.077 -4.528 13.849 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.879 -4.145 12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.632 -5.842 12.784 1.00 0.00 H new ATOM 1633 N TYR A 90 6.325 -3.697 11.499 1.00 0.00 N ATOM 1634 CA TYR A 90 7.625 -4.008 10.802 1.00 0.00 C ATOM 1635 C TYR A 90 8.698 -3.028 11.316 1.00 0.00 C ATOM 1636 O TYR A 90 9.459 -2.453 10.558 1.00 0.00 O ATOM 1637 CB TYR A 90 7.375 -3.834 9.292 1.00 0.00 C ATOM 1638 CG TYR A 90 7.028 -5.178 8.688 1.00 0.00 C ATOM 1639 CD1 TYR A 90 7.893 -6.267 8.855 1.00 0.00 C ATOM 1640 CD2 TYR A 90 5.832 -5.340 7.977 1.00 0.00 C ATOM 1641 CE1 TYR A 90 7.561 -7.514 8.315 1.00 0.00 C ATOM 1642 CE2 TYR A 90 5.504 -6.590 7.434 1.00 0.00 C ATOM 1643 CZ TYR A 90 6.368 -7.675 7.606 1.00 0.00 C ATOM 1644 OH TYR A 90 6.041 -8.909 7.079 1.00 0.00 O ATOM 0 H TYR A 90 6.325 -2.807 11.997 1.00 0.00 H new ATOM 0 HA TYR A 90 7.974 -5.022 10.998 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.563 -3.126 9.125 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.261 -3.423 8.809 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.817 -6.144 9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.163 -4.502 7.847 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.228 -8.353 8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.584 -6.715 6.883 1.00 0.00 H new ATOM 0 HH TYR A 90 5.306 -9.301 7.595 1.00 0.00 H new ATOM 1654 N ARG A 91 8.734 -2.840 12.626 1.00 0.00 N ATOM 1655 CA ARG A 91 9.716 -1.906 13.288 1.00 0.00 C ATOM 1656 C ARG A 91 9.482 -0.441 12.869 1.00 0.00 C ATOM 1657 O ARG A 91 9.239 0.407 13.703 1.00 0.00 O ATOM 1658 CB ARG A 91 11.105 -2.401 12.882 1.00 0.00 C ATOM 1659 CG ARG A 91 11.410 -3.704 13.627 1.00 0.00 C ATOM 1660 CD ARG A 91 12.924 -3.891 13.750 1.00 0.00 C ATOM 1661 NE ARG A 91 13.312 -4.617 12.506 1.00 0.00 N ATOM 1662 CZ ARG A 91 14.087 -5.653 12.566 1.00 0.00 C ATOM 1663 NH1 ARG A 91 15.211 -5.591 13.210 1.00 0.00 N ATOM 1664 NH2 ARG A 91 13.735 -6.746 11.972 1.00 0.00 N ATOM 0 H ARG A 91 8.106 -3.309 13.278 1.00 0.00 H new ATOM 0 HA ARG A 91 9.599 -1.914 14.372 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.146 -2.565 11.805 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.857 -1.648 13.118 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.956 -3.682 14.618 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.972 -4.549 13.095 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.438 -2.933 13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.182 -4.464 14.641 1.00 0.00 H new ATOM 0 HE ARG A 91 12.965 -4.296 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.487 -4.724 13.671 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.819 -6.409 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.853 -6.788 11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.339 -7.567 12.014 1.00 0.00 H new ATOM 1678 N LYS A 92 9.524 -0.139 11.597 1.00 0.00 N ATOM 1679 CA LYS A 92 9.273 1.269 11.148 1.00 0.00 C ATOM 1680 C LYS A 92 8.167 1.266 10.091 1.00 0.00 C ATOM 1681 O LYS A 92 8.415 1.142 8.912 1.00 0.00 O ATOM 1682 CB LYS A 92 10.599 1.785 10.565 1.00 0.00 C ATOM 1683 CG LYS A 92 11.036 0.907 9.385 1.00 0.00 C ATOM 1684 CD LYS A 92 12.448 0.362 9.633 1.00 0.00 C ATOM 1685 CE LYS A 92 12.366 -0.969 10.387 1.00 0.00 C ATOM 1686 NZ LYS A 92 12.092 -1.999 9.341 1.00 0.00 N ATOM 0 H LYS A 92 9.721 -0.803 10.849 1.00 0.00 H new ATOM 0 HA LYS A 92 8.947 1.912 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.483 2.818 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.370 1.781 11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.336 0.082 9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.018 1.487 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.965 0.221 8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.029 1.082 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.297 -1.181 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.574 -0.949 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.856 -2.903 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.293 -1.690 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.936 -2.122 8.745 1.00 0.00 H new ATOM 1700 N MET A 93 6.943 1.376 10.508 1.00 0.00 N ATOM 1701 CA MET A 93 5.821 1.355 9.527 1.00 0.00 C ATOM 1702 C MET A 93 4.522 1.804 10.188 1.00 0.00 C ATOM 1703 O MET A 93 4.474 2.002 11.385 1.00 0.00 O ATOM 1704 CB MET A 93 5.710 -0.107 9.063 1.00 0.00 C ATOM 1705 CG MET A 93 5.901 -1.070 10.248 1.00 0.00 C ATOM 1706 SD MET A 93 4.714 -0.704 11.567 1.00 0.00 S ATOM 1707 CE MET A 93 5.895 -0.533 12.931 1.00 0.00 C ATOM 0 H MET A 93 6.666 1.480 11.484 1.00 0.00 H new ATOM 0 HA MET A 93 6.002 2.033 8.693 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.735 -0.275 8.605 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.461 -0.309 8.299 1.00 0.00 H new ATOM 0 HG2 MET A 93 5.773 -2.099 9.912 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.917 -0.985 10.632 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.550 -1.114 13.786 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.872 -0.899 12.615 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.975 0.517 13.214 1.00 0.00 H new ATOM 1717 N LYS A 94 3.482 1.938 9.394 1.00 0.00 N ATOM 1718 CA LYS A 94 2.117 2.356 9.888 1.00 0.00 C ATOM 1719 C LYS A 94 1.369 3.173 8.816 1.00 0.00 C ATOM 1720 O LYS A 94 0.478 3.930 9.148 1.00 0.00 O ATOM 1721 CB LYS A 94 2.323 3.247 11.129 1.00 0.00 C ATOM 1722 CG LYS A 94 1.942 2.476 12.397 1.00 0.00 C ATOM 1723 CD LYS A 94 0.423 2.465 12.527 1.00 0.00 C ATOM 1724 CE LYS A 94 -0.014 1.392 13.523 1.00 0.00 C ATOM 1725 NZ LYS A 94 -1.486 1.269 13.306 1.00 0.00 N ATOM 0 H LYS A 94 3.521 1.770 8.389 1.00 0.00 H new ATOM 0 HA LYS A 94 1.528 1.469 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.363 3.568 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.715 4.148 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.324 1.456 12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.392 2.943 13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.072 3.443 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.031 2.275 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.496 0.446 13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.215 1.683 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.788 0.297 13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.986 1.932 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.711 1.492 12.315 1.00 0.00 H new ATOM 1739 N LEU A 95 1.726 3.051 7.545 1.00 0.00 N ATOM 1740 CA LEU A 95 1.049 3.847 6.462 1.00 0.00 C ATOM 1741 C LEU A 95 1.322 5.347 6.667 1.00 0.00 C ATOM 1742 O LEU A 95 1.848 6.012 5.798 1.00 0.00 O ATOM 1743 CB LEU A 95 -0.456 3.533 6.572 1.00 0.00 C ATOM 1744 CG LEU A 95 -0.798 2.241 5.820 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -0.747 2.489 4.315 1.00 0.00 C ATOM 1746 CD2 LEU A 95 0.193 1.142 6.191 1.00 0.00 C ATOM 0 H LEU A 95 2.463 2.428 7.215 1.00 0.00 H new ATOM 0 HA LEU A 95 1.423 3.587 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.736 3.434 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.036 4.361 6.164 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.803 1.925 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.991 1.568 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.468 3.262 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.254 2.815 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.058 0.228 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.202 1.456 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.144 0.955 7.264 1.00 0.00 H new ATOM 1758 N ARG A 96 0.979 5.878 7.814 1.00 0.00 N ATOM 1759 CA ARG A 96 1.207 7.331 8.099 1.00 0.00 C ATOM 1760 C ARG A 96 2.693 7.648 8.405 1.00 0.00 C ATOM 1761 O ARG A 96 2.993 8.468 9.255 1.00 0.00 O ATOM 1762 CB ARG A 96 0.330 7.610 9.325 1.00 0.00 C ATOM 1763 CG ARG A 96 0.093 9.117 9.467 1.00 0.00 C ATOM 1764 CD ARG A 96 -0.793 9.379 10.689 1.00 0.00 C ATOM 1765 NE ARG A 96 -2.171 9.004 10.250 1.00 0.00 N ATOM 1766 CZ ARG A 96 -3.060 8.633 11.118 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -3.701 9.515 11.808 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -3.308 7.382 11.303 1.00 0.00 N ATOM 0 H ARG A 96 0.544 5.359 8.577 1.00 0.00 H new ATOM 0 HA ARG A 96 0.957 7.953 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.624 7.091 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.812 7.223 10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.045 9.637 9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.383 9.508 8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.474 8.782 11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.746 10.424 10.995 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.414 9.040 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.509 10.507 11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.400 9.220 12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.804 6.677 10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.008 7.097 11.987 1.00 0.00 H new ATOM 1782 N TYR A 97 3.622 7.049 7.695 1.00 0.00 N ATOM 1783 CA TYR A 97 5.067 7.361 7.921 1.00 0.00 C ATOM 1784 C TYR A 97 5.710 7.618 6.558 1.00 0.00 C ATOM 1785 O TYR A 97 5.309 7.024 5.573 1.00 0.00 O ATOM 1786 CB TYR A 97 5.680 6.125 8.599 1.00 0.00 C ATOM 1787 CG TYR A 97 6.941 6.536 9.335 1.00 0.00 C ATOM 1788 CD1 TYR A 97 6.852 7.123 10.605 1.00 0.00 C ATOM 1789 CD2 TYR A 97 8.197 6.350 8.741 1.00 0.00 C ATOM 1790 CE1 TYR A 97 8.016 7.521 11.278 1.00 0.00 C ATOM 1791 CE2 TYR A 97 9.361 6.752 9.414 1.00 0.00 C ATOM 1792 CZ TYR A 97 9.269 7.338 10.683 1.00 0.00 C ATOM 1793 OH TYR A 97 10.410 7.747 11.346 1.00 0.00 O ATOM 0 H TYR A 97 3.439 6.357 6.968 1.00 0.00 H new ATOM 0 HA TYR A 97 5.220 8.240 8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.965 5.685 9.294 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.911 5.363 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.886 7.269 11.065 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.269 5.896 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.945 7.970 12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.328 6.610 8.954 1.00 0.00 H new ATOM 0 HH TYR A 97 11.197 7.547 10.797 1.00 0.00 H new ATOM 1803 N PRO A 98 6.670 8.504 6.520 1.00 0.00 N ATOM 1804 CA PRO A 98 7.320 8.824 5.244 1.00 0.00 C ATOM 1805 C PRO A 98 8.546 7.939 5.094 1.00 0.00 C ATOM 1806 O PRO A 98 8.750 7.004 5.849 1.00 0.00 O ATOM 1807 CB PRO A 98 7.763 10.264 5.436 1.00 0.00 C ATOM 1808 CG PRO A 98 7.972 10.412 6.912 1.00 0.00 C ATOM 1809 CD PRO A 98 7.247 9.283 7.616 1.00 0.00 C ATOM 0 HA PRO A 98 6.683 8.680 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.680 10.472 4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.008 10.961 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.036 10.385 7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.594 11.376 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.929 8.683 8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.476 9.660 8.288 1.00 0.00 H new ATOM 1817 N ILE A 99 9.392 8.245 4.167 1.00 0.00 N ATOM 1818 CA ILE A 99 10.615 7.451 4.029 1.00 0.00 C ATOM 1819 C ILE A 99 11.813 8.374 4.258 1.00 0.00 C ATOM 1820 O ILE A 99 12.316 9.010 3.350 1.00 0.00 O ATOM 1821 CB ILE A 99 10.561 6.868 2.619 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.292 7.968 1.560 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.447 5.806 2.566 1.00 0.00 C ATOM 1824 CD1 ILE A 99 8.784 8.188 1.363 1.00 0.00 C ATOM 0 H ILE A 99 9.286 9.011 3.502 1.00 0.00 H new ATOM 0 HA ILE A 99 10.708 6.640 4.751 1.00 0.00 H new ATOM 0 HB ILE A 99 11.526 6.418 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.761 8.901 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.748 7.684 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.397 5.381 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.663 5.016 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.491 6.269 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.624 8.965 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.322 7.260 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.335 8.496 2.307 1.00 0.00 H new ATOM 1836 N ASN A 100 12.258 8.457 5.484 1.00 0.00 N ATOM 1837 CA ASN A 100 13.410 9.347 5.814 1.00 0.00 C ATOM 1838 C ASN A 100 14.729 8.580 5.679 1.00 0.00 C ATOM 1839 O ASN A 100 14.749 7.364 5.603 1.00 0.00 O ATOM 1840 CB ASN A 100 13.198 9.780 7.275 1.00 0.00 C ATOM 1841 CG ASN A 100 11.722 10.090 7.542 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.074 10.760 6.763 1.00 0.00 O ATOM 1843 ND2 ASN A 100 11.159 9.625 8.619 1.00 0.00 N ATOM 0 H ASN A 100 11.871 7.943 6.276 1.00 0.00 H new ATOM 0 HA ASN A 100 13.461 10.203 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.535 8.990 7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.804 10.660 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.176 9.823 8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.700 9.062 9.275 1.00 0.00 H new ATOM 1850 N GLU A 101 15.830 9.280 5.654 1.00 0.00 N ATOM 1851 CA GLU A 101 17.151 8.595 5.533 1.00 0.00 C ATOM 1852 C GLU A 101 17.815 8.457 6.913 1.00 0.00 C ATOM 1853 O GLU A 101 17.517 9.196 7.838 1.00 0.00 O ATOM 1854 CB GLU A 101 17.980 9.483 4.591 1.00 0.00 C ATOM 1855 CG GLU A 101 18.405 10.781 5.297 1.00 0.00 C ATOM 1856 CD GLU A 101 17.606 11.963 4.747 1.00 0.00 C ATOM 1857 OE1 GLU A 101 17.780 12.282 3.582 1.00 0.00 O ATOM 1858 OE2 GLU A 101 16.839 12.534 5.504 1.00 0.00 O ATOM 0 H GLU A 101 15.873 10.297 5.712 1.00 0.00 H new ATOM 0 HA GLU A 101 17.059 7.582 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.864 8.940 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.396 9.722 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.242 10.690 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.471 10.952 5.149 1.00 0.00 H new ATOM 1865 N GLU A 102 18.719 7.514 7.056 1.00 0.00 N ATOM 1866 CA GLU A 102 19.420 7.313 8.370 1.00 0.00 C ATOM 1867 C GLU A 102 20.085 8.616 8.848 1.00 0.00 C ATOM 1868 O GLU A 102 20.368 8.780 10.020 1.00 0.00 O ATOM 1869 CB GLU A 102 20.475 6.235 8.102 1.00 0.00 C ATOM 1870 CG GLU A 102 19.789 4.872 7.923 1.00 0.00 C ATOM 1871 CD GLU A 102 19.355 4.316 9.284 1.00 0.00 C ATOM 1872 OE1 GLU A 102 20.203 4.176 10.146 1.00 0.00 O ATOM 1873 OE2 GLU A 102 18.175 4.035 9.435 1.00 0.00 O ATOM 0 H GLU A 102 19.003 6.872 6.316 1.00 0.00 H new ATOM 0 HA GLU A 102 18.724 7.019 9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 102 21.046 6.486 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.182 6.191 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 102 18.922 4.976 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.471 4.174 7.437 1.00 0.00 H new ATOM 1880 N ASN A 103 20.322 9.551 7.957 1.00 0.00 N ATOM 1881 CA ASN A 103 20.947 10.844 8.375 1.00 0.00 C ATOM 1882 C ASN A 103 19.928 11.723 9.120 1.00 0.00 C ATOM 1883 O ASN A 103 20.297 12.684 9.773 1.00 0.00 O ATOM 1884 CB ASN A 103 21.375 11.523 7.072 1.00 0.00 C ATOM 1885 CG ASN A 103 22.556 12.454 7.342 1.00 0.00 C ATOM 1886 OD1 ASN A 103 23.576 12.355 6.697 1.00 0.00 O ATOM 1887 ND2 ASN A 103 22.468 13.358 8.275 1.00 0.00 N ATOM 0 H ASN A 103 20.110 9.474 6.962 1.00 0.00 H new ATOM 0 HA ASN A 103 21.786 10.686 9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 103 21.653 10.772 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 103 20.542 12.088 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 103 23.256 13.979 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.611 13.445 8.821 1.00 0.00 H new ATOM 1894 N SER A 104 18.654 11.413 9.022 1.00 0.00 N ATOM 1895 CA SER A 104 17.622 12.242 9.720 1.00 0.00 C ATOM 1896 C SER A 104 16.899 11.411 10.789 1.00 0.00 C ATOM 1897 O SER A 104 16.990 11.696 11.970 1.00 0.00 O ATOM 1898 CB SER A 104 16.649 12.678 8.622 1.00 0.00 C ATOM 1899 OG SER A 104 17.303 13.586 7.742 1.00 0.00 O ATOM 0 H SER A 104 18.288 10.624 8.490 1.00 0.00 H new ATOM 0 HA SER A 104 18.062 13.097 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.296 11.808 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.773 13.151 9.065 1.00 0.00 H new ATOM 0 HG SER A 104 17.520 13.129 6.903 1.00 0.00 H new ATOM 1905 N SER A 105 16.181 10.386 10.387 1.00 0.00 N ATOM 1906 CA SER A 105 15.444 9.523 11.376 1.00 0.00 C ATOM 1907 C SER A 105 14.722 8.373 10.651 1.00 0.00 C ATOM 1908 O SER A 105 13.955 7.670 11.294 1.00 0.00 O ATOM 1909 CB SER A 105 14.425 10.449 12.053 1.00 0.00 C ATOM 1910 OG SER A 105 15.008 11.020 13.219 1.00 0.00 O ATOM 1911 OXT SER A 105 14.960 8.201 9.465 1.00 0.00 O ATOM 0 H SER A 105 16.072 10.107 9.412 1.00 0.00 H new ATOM 0 HA SER A 105 16.122 9.070 12.099 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.118 11.236 11.364 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.528 9.889 12.318 1.00 0.00 H new ATOM 0 HG SER A 105 15.692 11.671 12.957 1.00 0.00 H new TER 1917 SER A 105