USER MOD reduce.3.24.130724 H: found=0, std=0, add=1175, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1175 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 SER OG : rot 179:sc= 0.923 USER MOD Set 1.2: A 86 THR OG1 : rot -51:sc= 0.572 USER MOD Set 2.1: A 42 ASN :FLIP amide:sc= 0.875 F(o=-0.43,f=3.3) USER MOD Set 2.2: A 63 CYS SG : rot 78:sc= 2.38 USER MOD Set 3.1: A 31 THR OG1 : rot -144:sc= -0.133 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.051 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.124 (180deg=-0.746) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.57 (180deg=0.706) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.552 K(o=-0.55,f=-2.9!) USER MOD Single : A 7 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.51) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 1.22 (180deg=-1.18!) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.714 USER MOD Single : A 30 SER OG : rot 60:sc= -1.78! USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0199 (180deg=-0.2) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.92! C(o=-4.8!,f=-2.9!) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.0143 (180deg=-0.151) USER MOD Single : A 50 GLN : amide:sc= -0.331 K(o=-0.33,f=-0.94) USER MOD Single : A 53 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD Single : A 55 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.16) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.65) USER MOD Single : A 72 THR OG1 : rot -69:sc= -0.511 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.13 F(o=-1.3,f=-0.13) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -58:sc= -1.56! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -3.99! C(o=-4!,f=-5!) USER MOD Single : A 103 SER OG : rot 28:sc= 0.0343 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 110 GLN : amide:sc= -2.39! C(o=-2.4!,f=-3.6!) USER MOD Single : A 114 LYS NZ :NH3+ 153:sc= 1.17 (180deg=0.834) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.26e-05) USER MOD Single : A 119 SER OG : rot -97:sc= 0.529 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.252) USER MOD Single : A 126 MET CE :methyl 157:sc= -1.93 (180deg=-2.41) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 135 ASN : amide:sc= -3.61! C(o=-3.6!,f=-6!) USER MOD Single : A 140 LYS NZ :NH3+ -146:sc= 1.29 (180deg=1.2) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 148 HIS :FLIP no HD1:sc= -0.0695 F(o=-0.59,f=-0.069) USER MOD Single : A 149 HIS :FLIP no HE2:sc= 0.266 F(o=-0.91,f=0.27) USER MOD Single : A 150 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.0041) USER MOD Single : A 151 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 152 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.350 -1.194 -14.586 1.00 0.00 N ATOM 2 CA MET A 1 8.851 -1.806 -15.839 1.00 0.00 C ATOM 3 C MET A 1 8.887 -3.326 -15.711 1.00 0.00 C ATOM 4 O MET A 1 9.178 -3.859 -14.638 1.00 0.00 O ATOM 5 CB MET A 1 10.253 -1.280 -16.160 1.00 0.00 C ATOM 6 CG MET A 1 10.297 0.211 -16.450 1.00 0.00 C ATOM 7 SD MET A 1 11.974 0.811 -16.738 1.00 0.00 S ATOM 8 CE MET A 1 12.710 0.525 -15.128 1.00 0.00 C ATOM 0 H1 MET A 1 7.629 -0.480 -14.813 1.00 0.00 H new ATOM 0 H2 MET A 1 7.930 -1.931 -13.984 1.00 0.00 H new ATOM 0 H3 MET A 1 9.139 -0.742 -14.081 1.00 0.00 H new ATOM 0 HA MET A 1 8.174 -1.536 -16.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.913 -1.497 -15.320 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.645 -1.820 -17.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.683 0.426 -17.324 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.860 0.754 -15.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.580 1.171 -15.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.980 0.748 -14.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.018 -0.518 -15.049 1.00 0.00 H new ATOM 20 N ALA A 2 8.592 -4.016 -16.813 1.00 0.00 N ATOM 21 CA ALA A 2 8.489 -5.471 -16.800 1.00 0.00 C ATOM 22 C ALA A 2 9.679 -6.137 -17.490 1.00 0.00 C ATOM 23 O ALA A 2 10.238 -7.100 -16.969 1.00 0.00 O ATOM 24 CB ALA A 2 7.186 -5.909 -17.449 1.00 0.00 C ATOM 0 H ALA A 2 8.421 -3.589 -17.724 1.00 0.00 H new ATOM 0 HA ALA A 2 8.498 -5.792 -15.758 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.120 -6.997 -17.434 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.345 -5.486 -16.899 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.157 -5.558 -18.481 1.00 0.00 H new ATOM 30 N GLN A 3 10.060 -5.626 -18.659 1.00 0.00 N ATOM 31 CA GLN A 3 11.180 -6.189 -19.417 1.00 0.00 C ATOM 32 C GLN A 3 12.475 -6.007 -18.632 1.00 0.00 C ATOM 33 O GLN A 3 13.346 -6.879 -18.615 1.00 0.00 O ATOM 34 CB GLN A 3 11.283 -5.516 -20.786 1.00 0.00 C ATOM 35 CG GLN A 3 12.371 -6.091 -21.676 1.00 0.00 C ATOM 36 CD GLN A 3 12.432 -5.414 -23.031 1.00 0.00 C ATOM 37 OE1 GLN A 3 11.420 -4.945 -23.555 1.00 0.00 O ATOM 38 NE2 GLN A 3 13.623 -5.351 -23.603 1.00 0.00 N ATOM 0 H GLN A 3 9.612 -4.824 -19.103 1.00 0.00 H new ATOM 0 HA GLN A 3 11.009 -7.254 -19.571 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.324 -5.606 -21.297 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.469 -4.452 -20.643 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.335 -5.988 -21.178 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.196 -7.158 -21.814 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.436 -5.752 -23.135 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.729 -4.901 -24.512 1.00 0.00 H new ATOM 47 N ASN A 4 12.585 -4.855 -17.992 1.00 0.00 N ATOM 48 CA ASN A 4 13.633 -4.598 -17.020 1.00 0.00 C ATOM 49 C ASN A 4 12.982 -4.473 -15.661 1.00 0.00 C ATOM 50 O ASN A 4 11.867 -3.969 -15.561 1.00 0.00 O ATOM 51 CB ASN A 4 14.405 -3.313 -17.353 1.00 0.00 C ATOM 52 CG ASN A 4 15.574 -3.553 -18.287 1.00 0.00 C ATOM 53 OD1 ASN A 4 15.432 -3.515 -19.511 1.00 0.00 O ATOM 54 ND2 ASN A 4 16.742 -3.787 -17.713 1.00 0.00 N ATOM 0 H ASN A 4 11.949 -4.070 -18.132 1.00 0.00 H new ATOM 0 HA ASN A 4 14.351 -5.418 -17.034 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.724 -2.594 -17.808 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.771 -2.865 -16.429 1.00 0.00 H new ATOM 0 HD21 ASN A 4 17.570 -3.945 -18.287 1.00 0.00 H new ATOM 0 HD22 ASN A 4 16.815 -3.810 -16.696 1.00 0.00 H new ATOM 61 N ASN A 5 13.659 -4.918 -14.620 1.00 0.00 N ATOM 62 CA ASN A 5 13.060 -4.921 -13.295 1.00 0.00 C ATOM 63 C ASN A 5 13.037 -3.522 -12.716 1.00 0.00 C ATOM 64 O ASN A 5 14.050 -2.824 -12.728 1.00 0.00 O ATOM 65 CB ASN A 5 13.789 -5.881 -12.353 1.00 0.00 C ATOM 66 CG ASN A 5 13.395 -7.323 -12.598 1.00 0.00 C ATOM 67 OD1 ASN A 5 12.276 -7.608 -13.023 1.00 0.00 O ATOM 68 ND2 ASN A 5 14.306 -8.243 -12.334 1.00 0.00 N ATOM 0 H ASN A 5 14.612 -5.278 -14.662 1.00 0.00 H new ATOM 0 HA ASN A 5 12.033 -5.272 -13.397 1.00 0.00 H new ATOM 0 HB2 ASN A 5 14.865 -5.772 -12.485 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.566 -5.615 -11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 5 14.092 -9.229 -12.482 1.00 0.00 H new ATOM 0 HD22 ASN A 5 15.223 -7.967 -11.983 1.00 0.00 H new ATOM 75 N GLU A 6 11.860 -3.137 -12.223 1.00 0.00 N ATOM 76 CA GLU A 6 11.587 -1.794 -11.745 1.00 0.00 C ATOM 77 C GLU A 6 12.736 -1.224 -10.925 1.00 0.00 C ATOM 78 O GLU A 6 13.348 -0.227 -11.311 1.00 0.00 O ATOM 79 CB GLU A 6 10.306 -1.827 -10.921 1.00 0.00 C ATOM 80 CG GLU A 6 9.990 -0.514 -10.254 1.00 0.00 C ATOM 81 CD GLU A 6 9.880 0.630 -11.241 1.00 0.00 C ATOM 82 OE1 GLU A 6 9.507 0.384 -12.408 1.00 0.00 O ATOM 83 OE2 GLU A 6 10.189 1.776 -10.858 1.00 0.00 O ATOM 0 H GLU A 6 11.060 -3.765 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 6 11.470 -1.137 -12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.474 -2.107 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.393 -2.602 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.053 -0.606 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.766 -0.286 -9.524 1.00 0.00 H new ATOM 90 N ASN A 7 13.034 -1.857 -9.808 1.00 0.00 N ATOM 91 CA ASN A 7 14.139 -1.435 -8.982 1.00 0.00 C ATOM 92 C ASN A 7 14.833 -2.675 -8.480 1.00 0.00 C ATOM 93 O ASN A 7 16.006 -2.917 -8.745 1.00 0.00 O ATOM 94 CB ASN A 7 13.646 -0.598 -7.805 1.00 0.00 C ATOM 95 CG ASN A 7 14.771 0.161 -7.132 1.00 0.00 C ATOM 96 OD1 ASN A 7 15.496 -0.381 -6.303 1.00 0.00 O ATOM 97 ND2 ASN A 7 14.916 1.429 -7.482 1.00 0.00 N ATOM 0 H ASN A 7 12.524 -2.666 -9.454 1.00 0.00 H new ATOM 0 HA ASN A 7 14.824 -0.817 -9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.892 0.107 -8.154 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.162 -1.248 -7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.652 1.994 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.292 1.841 -8.175 1.00 0.00 H new ATOM 104 N ALA A 8 14.065 -3.460 -7.757 1.00 0.00 N ATOM 105 CA ALA A 8 14.446 -4.799 -7.393 1.00 0.00 C ATOM 106 C ALA A 8 13.189 -5.640 -7.422 1.00 0.00 C ATOM 107 O ALA A 8 13.120 -6.676 -8.078 1.00 0.00 O ATOM 108 CB ALA A 8 15.104 -4.813 -6.019 1.00 0.00 C ATOM 0 H ALA A 8 13.150 -3.180 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 8 15.180 -5.203 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.385 -5.834 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.994 -4.184 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.404 -4.431 -5.276 1.00 0.00 H new ATOM 114 N LEU A 9 12.183 -5.147 -6.712 1.00 0.00 N ATOM 115 CA LEU A 9 10.858 -5.745 -6.699 1.00 0.00 C ATOM 116 C LEU A 9 10.041 -5.198 -7.872 1.00 0.00 C ATOM 117 O LEU A 9 9.611 -4.050 -7.858 1.00 0.00 O ATOM 118 CB LEU A 9 10.146 -5.505 -5.328 1.00 0.00 C ATOM 119 CG LEU A 9 10.550 -4.251 -4.511 1.00 0.00 C ATOM 120 CD1 LEU A 9 11.972 -4.363 -3.986 1.00 0.00 C ATOM 121 CD2 LEU A 9 10.395 -2.970 -5.307 1.00 0.00 C ATOM 0 H LEU A 9 12.265 -4.316 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 9 10.949 -6.825 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.073 -5.452 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.319 -6.381 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 9 9.864 -4.206 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.222 -3.467 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.053 -5.237 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.662 -4.466 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.690 -2.121 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.028 -3.013 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.355 -2.854 -5.610 1.00 0.00 H new ATOM 133 N PRO A 10 9.848 -6.004 -8.926 1.00 0.00 N ATOM 134 CA PRO A 10 9.174 -5.550 -10.147 1.00 0.00 C ATOM 135 C PRO A 10 7.760 -5.050 -9.861 1.00 0.00 C ATOM 136 O PRO A 10 7.124 -5.481 -8.897 1.00 0.00 O ATOM 137 CB PRO A 10 9.141 -6.797 -11.037 1.00 0.00 C ATOM 138 CG PRO A 10 10.193 -7.698 -10.484 1.00 0.00 C ATOM 139 CD PRO A 10 10.247 -7.417 -9.010 1.00 0.00 C ATOM 0 HA PRO A 10 9.690 -4.709 -10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.161 -7.273 -11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.346 -6.544 -12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.950 -8.744 -10.673 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.158 -7.505 -10.953 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.568 -8.062 -8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.246 -7.579 -8.605 1.00 0.00 H new ATOM 147 N ASP A 11 7.273 -4.140 -10.697 1.00 0.00 N ATOM 148 CA ASP A 11 5.985 -3.503 -10.456 1.00 0.00 C ATOM 149 C ASP A 11 4.843 -4.491 -10.650 1.00 0.00 C ATOM 150 O ASP A 11 4.699 -5.119 -11.700 1.00 0.00 O ATOM 151 CB ASP A 11 5.789 -2.267 -11.352 1.00 0.00 C ATOM 152 CG ASP A 11 5.657 -2.601 -12.825 1.00 0.00 C ATOM 153 OD1 ASP A 11 6.691 -2.837 -13.477 1.00 0.00 O ATOM 154 OD2 ASP A 11 4.521 -2.616 -13.341 1.00 0.00 O ATOM 0 H ASP A 11 7.749 -3.828 -11.544 1.00 0.00 H new ATOM 0 HA ASP A 11 5.977 -3.167 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.897 -1.731 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.634 -1.592 -11.215 1.00 0.00 H new ATOM 159 N ILE A 12 4.067 -4.662 -9.602 1.00 0.00 N ATOM 160 CA ILE A 12 2.879 -5.483 -9.652 1.00 0.00 C ATOM 161 C ILE A 12 1.667 -4.565 -9.616 1.00 0.00 C ATOM 162 O ILE A 12 1.650 -3.580 -8.886 1.00 0.00 O ATOM 163 CB ILE A 12 2.838 -6.505 -8.477 1.00 0.00 C ATOM 164 CG1 ILE A 12 2.432 -7.899 -8.983 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.899 -6.056 -7.355 1.00 0.00 C ATOM 166 CD1 ILE A 12 1.033 -7.975 -9.560 1.00 0.00 C ATOM 0 H ILE A 12 4.242 -4.236 -8.692 1.00 0.00 H new ATOM 0 HA ILE A 12 2.880 -6.067 -10.572 1.00 0.00 H new ATOM 0 HB ILE A 12 3.845 -6.556 -8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.144 -8.216 -9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.510 -8.608 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.903 -6.799 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.237 -5.098 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.888 -5.950 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.831 -8.993 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.309 -7.692 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.951 -7.294 -10.407 1.00 0.00 H new ATOM 178 N THR A 13 0.684 -4.840 -10.432 1.00 0.00 N ATOM 179 CA THR A 13 -0.530 -4.086 -10.378 1.00 0.00 C ATOM 180 C THR A 13 -1.665 -4.972 -9.909 1.00 0.00 C ATOM 181 O THR A 13 -1.825 -6.103 -10.370 1.00 0.00 O ATOM 182 CB THR A 13 -0.862 -3.488 -11.749 1.00 0.00 C ATOM 183 OG1 THR A 13 -0.409 -4.367 -12.791 1.00 0.00 O ATOM 184 CG2 THR A 13 -0.234 -2.112 -11.913 1.00 0.00 C ATOM 0 H THR A 13 0.704 -5.577 -11.137 1.00 0.00 H new ATOM 0 HA THR A 13 -0.397 -3.267 -9.671 1.00 0.00 H new ATOM 0 HB THR A 13 -1.944 -3.376 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.626 -3.979 -13.664 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.486 -1.712 -12.895 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.614 -1.444 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.849 -2.193 -11.821 1.00 0.00 H new ATOM 192 N LYS A 14 -2.440 -4.453 -8.986 1.00 0.00 N ATOM 193 CA LYS A 14 -3.551 -5.175 -8.423 1.00 0.00 C ATOM 194 C LYS A 14 -4.799 -4.370 -8.658 1.00 0.00 C ATOM 195 O LYS A 14 -4.834 -3.177 -8.377 1.00 0.00 O ATOM 196 CB LYS A 14 -3.336 -5.406 -6.919 1.00 0.00 C ATOM 197 CG LYS A 14 -2.246 -6.425 -6.589 1.00 0.00 C ATOM 198 CD LYS A 14 -2.688 -7.873 -6.811 1.00 0.00 C ATOM 199 CE LYS A 14 -2.696 -8.262 -8.282 1.00 0.00 C ATOM 200 NZ LYS A 14 -2.968 -9.712 -8.479 1.00 0.00 N ATOM 0 H LYS A 14 -2.315 -3.515 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.641 -6.152 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.082 -4.455 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.275 -5.739 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.369 -6.221 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.943 -6.300 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.021 -8.541 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.686 -8.012 -6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.452 -7.678 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.733 -8.011 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.964 -9.931 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.233 -10.271 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.898 -9.948 -8.078 1.00 0.00 H new ATOM 214 N SER A 15 -5.819 -5.008 -9.166 1.00 0.00 N ATOM 215 CA SER A 15 -7.000 -4.294 -9.551 1.00 0.00 C ATOM 216 C SER A 15 -8.215 -4.815 -8.835 1.00 0.00 C ATOM 217 O SER A 15 -8.426 -6.022 -8.694 1.00 0.00 O ATOM 218 CB SER A 15 -7.198 -4.407 -11.052 1.00 0.00 C ATOM 219 OG SER A 15 -6.272 -5.327 -11.616 1.00 0.00 O ATOM 0 H SER A 15 -5.854 -6.016 -9.321 1.00 0.00 H new ATOM 0 HA SER A 15 -6.870 -3.248 -9.274 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.216 -4.732 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.072 -3.428 -11.515 1.00 0.00 H new ATOM 0 HG SER A 15 -6.418 -5.386 -12.583 1.00 0.00 H new ATOM 225 N ILE A 16 -8.987 -3.870 -8.369 1.00 0.00 N ATOM 226 CA ILE A 16 -10.220 -4.123 -7.683 1.00 0.00 C ATOM 227 C ILE A 16 -11.149 -2.940 -7.851 1.00 0.00 C ATOM 228 O ILE A 16 -10.708 -1.797 -7.972 1.00 0.00 O ATOM 229 CB ILE A 16 -10.008 -4.391 -6.183 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.350 -4.254 -5.453 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.935 -3.478 -5.601 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.321 -3.452 -4.184 1.00 0.00 C ATOM 0 H ILE A 16 -8.768 -2.878 -8.460 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.659 -5.018 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.644 -5.409 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.068 -3.797 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.721 -5.253 -5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.810 -3.694 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.991 -3.649 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.235 -2.438 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.321 -3.419 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.634 -3.916 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.987 -2.438 -4.402 1.00 0.00 H new ATOM 244 N THR A 17 -12.428 -3.206 -7.864 1.00 0.00 N ATOM 245 CA THR A 17 -13.386 -2.143 -7.819 1.00 0.00 C ATOM 246 C THR A 17 -13.817 -1.917 -6.381 1.00 0.00 C ATOM 247 O THR A 17 -14.334 -2.818 -5.718 1.00 0.00 O ATOM 248 CB THR A 17 -14.611 -2.459 -8.675 1.00 0.00 C ATOM 249 OG1 THR A 17 -14.200 -2.828 -10.001 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.523 -1.250 -8.739 1.00 0.00 C ATOM 0 H THR A 17 -12.825 -4.145 -7.905 1.00 0.00 H new ATOM 0 HA THR A 17 -12.918 -1.243 -8.218 1.00 0.00 H new ATOM 0 HB THR A 17 -15.152 -3.291 -8.224 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.990 -3.031 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.394 -1.483 -9.351 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.847 -0.985 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.984 -0.411 -9.179 1.00 0.00 H new ATOM 258 N LEU A 18 -13.597 -0.706 -5.911 1.00 0.00 N ATOM 259 CA LEU A 18 -13.932 -0.325 -4.571 1.00 0.00 C ATOM 260 C LEU A 18 -15.311 0.230 -4.626 1.00 0.00 C ATOM 261 O LEU A 18 -15.506 1.289 -5.197 1.00 0.00 O ATOM 262 CB LEU A 18 -12.987 0.777 -4.089 1.00 0.00 C ATOM 263 CG LEU A 18 -11.528 0.393 -3.958 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.708 1.614 -3.625 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.337 -0.659 -2.881 1.00 0.00 C ATOM 0 H LEU A 18 -13.176 0.043 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.854 -1.177 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.060 1.618 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.337 1.130 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.197 -0.024 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.659 1.333 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.817 2.353 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.055 2.040 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.280 -0.917 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.682 -0.267 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.911 -1.550 -3.137 1.00 0.00 H new ATOM 277 N GLU A 19 -16.295 -0.455 -4.119 1.00 0.00 N ATOM 278 CA GLU A 19 -17.584 0.153 -4.159 1.00 0.00 C ATOM 279 C GLU A 19 -17.617 1.183 -3.045 1.00 0.00 C ATOM 280 O GLU A 19 -18.057 0.915 -1.935 1.00 0.00 O ATOM 281 CB GLU A 19 -18.616 -0.945 -3.954 1.00 0.00 C ATOM 282 CG GLU A 19 -18.072 -2.315 -4.345 1.00 0.00 C ATOM 283 CD GLU A 19 -19.085 -3.423 -4.191 1.00 0.00 C ATOM 284 OE1 GLU A 19 -20.165 -3.337 -4.807 1.00 0.00 O ATOM 285 OE2 GLU A 19 -18.798 -4.398 -3.468 1.00 0.00 O ATOM 0 H GLU A 19 -16.236 -1.382 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.799 0.649 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.926 -0.962 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.504 -0.724 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.734 -2.282 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.200 -2.541 -3.732 1.00 0.00 H new ATOM 292 N ALA A 20 -17.158 2.375 -3.379 1.00 0.00 N ATOM 293 CA ALA A 20 -17.041 3.450 -2.410 1.00 0.00 C ATOM 294 C ALA A 20 -17.008 4.791 -3.104 1.00 0.00 C ATOM 295 O ALA A 20 -16.839 4.856 -4.304 1.00 0.00 O ATOM 296 CB ALA A 20 -15.795 3.268 -1.573 1.00 0.00 C ATOM 0 H ALA A 20 -16.858 2.625 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.913 3.419 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.720 4.081 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.848 2.316 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.918 3.275 -2.220 1.00 0.00 H new ATOM 302 N PRO A 21 -17.125 5.883 -2.376 1.00 0.00 N ATOM 303 CA PRO A 21 -16.756 7.175 -2.915 1.00 0.00 C ATOM 304 C PRO A 21 -15.250 7.391 -2.764 1.00 0.00 C ATOM 305 O PRO A 21 -14.624 6.844 -1.851 1.00 0.00 O ATOM 306 CB PRO A 21 -17.536 8.134 -2.043 1.00 0.00 C ATOM 307 CG PRO A 21 -17.590 7.455 -0.713 1.00 0.00 C ATOM 308 CD PRO A 21 -17.605 5.973 -0.990 1.00 0.00 C ATOM 0 HA PRO A 21 -16.973 7.294 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.042 9.103 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.535 8.312 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.729 7.727 -0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.480 7.755 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.956 5.429 -0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.605 5.554 -0.883 1.00 0.00 H new ATOM 316 N ILE A 22 -14.678 8.195 -3.653 1.00 0.00 N ATOM 317 CA ILE A 22 -13.234 8.470 -3.660 1.00 0.00 C ATOM 318 C ILE A 22 -12.764 8.991 -2.309 1.00 0.00 C ATOM 319 O ILE A 22 -11.653 8.732 -1.869 1.00 0.00 O ATOM 320 CB ILE A 22 -12.893 9.478 -4.780 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.440 9.966 -4.685 1.00 0.00 C ATOM 322 CG2 ILE A 22 -13.858 10.651 -4.750 1.00 0.00 C ATOM 323 CD1 ILE A 22 -10.971 10.720 -5.908 1.00 0.00 C ATOM 0 H ILE A 22 -15.194 8.676 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.709 7.534 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.000 8.961 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.339 10.610 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.787 9.108 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.604 11.352 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.876 10.289 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.788 11.155 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.936 11.033 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.039 10.073 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.599 11.599 -6.057 1.00 0.00 H new ATOM 335 N GLN A 23 -13.659 9.699 -1.673 1.00 0.00 N ATOM 336 CA GLN A 23 -13.469 10.272 -0.355 1.00 0.00 C ATOM 337 C GLN A 23 -13.343 9.214 0.761 1.00 0.00 C ATOM 338 O GLN A 23 -12.682 9.451 1.768 1.00 0.00 O ATOM 339 CB GLN A 23 -14.639 11.191 -0.111 1.00 0.00 C ATOM 340 CG GLN A 23 -15.931 10.474 -0.342 1.00 0.00 C ATOM 341 CD GLN A 23 -17.050 11.400 -0.777 1.00 0.00 C ATOM 342 OE1 GLN A 23 -17.772 11.946 0.055 1.00 0.00 O ATOM 343 NE2 GLN A 23 -17.206 11.584 -2.081 1.00 0.00 N ATOM 0 H GLN A 23 -14.577 9.904 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.523 10.812 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.604 11.568 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.573 12.055 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.784 9.707 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.225 9.962 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.586 11.113 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.946 12.197 -2.425 1.00 0.00 H new ATOM 352 N LYS A 24 -13.989 8.060 0.612 1.00 0.00 N ATOM 353 CA LYS A 24 -13.899 7.028 1.647 1.00 0.00 C ATOM 354 C LYS A 24 -12.606 6.230 1.479 1.00 0.00 C ATOM 355 O LYS A 24 -11.953 5.833 2.444 1.00 0.00 O ATOM 356 CB LYS A 24 -15.109 6.097 1.560 1.00 0.00 C ATOM 357 CG LYS A 24 -15.134 5.009 2.620 1.00 0.00 C ATOM 358 CD LYS A 24 -15.151 5.580 4.030 1.00 0.00 C ATOM 359 CE LYS A 24 -15.258 4.475 5.069 1.00 0.00 C ATOM 360 NZ LYS A 24 -15.186 5.007 6.453 1.00 0.00 N ATOM 0 H LYS A 24 -14.567 7.817 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.891 7.506 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.018 6.692 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.124 5.630 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.013 4.382 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.261 4.367 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.243 6.158 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.991 6.266 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.198 3.940 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.456 3.753 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.818 4.457 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.210 4.933 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.480 6.004 6.457 1.00 0.00 H new ATOM 374 N VAL A 25 -12.236 6.030 0.236 1.00 0.00 N ATOM 375 CA VAL A 25 -10.927 5.506 -0.107 1.00 0.00 C ATOM 376 C VAL A 25 -9.852 6.516 0.283 1.00 0.00 C ATOM 377 O VAL A 25 -8.746 6.152 0.640 1.00 0.00 O ATOM 378 CB VAL A 25 -10.824 5.139 -1.591 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.660 4.184 -1.798 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.131 4.522 -2.075 1.00 0.00 C ATOM 0 H VAL A 25 -12.831 6.225 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.774 4.584 0.454 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.644 6.041 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.587 3.923 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.735 4.663 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.822 3.280 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.044 4.266 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.343 3.621 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.943 5.237 -1.941 1.00 0.00 H new ATOM 390 N TRP A 26 -10.197 7.787 0.171 1.00 0.00 N ATOM 391 CA TRP A 26 -9.358 8.892 0.640 1.00 0.00 C ATOM 392 C TRP A 26 -9.024 8.678 2.101 1.00 0.00 C ATOM 393 O TRP A 26 -7.901 8.892 2.527 1.00 0.00 O ATOM 394 CB TRP A 26 -10.195 10.153 0.526 1.00 0.00 C ATOM 395 CG TRP A 26 -9.493 11.436 0.271 1.00 0.00 C ATOM 396 CD1 TRP A 26 -8.537 12.081 1.004 1.00 0.00 C ATOM 397 CD2 TRP A 26 -9.793 12.263 -0.825 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.220 13.278 0.388 1.00 0.00 N ATOM 399 CE2 TRP A 26 -8.989 13.403 -0.748 1.00 0.00 C ATOM 400 CE3 TRP A 26 -10.677 12.112 -1.877 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.059 14.413 -1.707 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -10.753 13.091 -2.826 1.00 0.00 C ATOM 403 CH2 TRP A 26 -9.949 14.240 -2.742 1.00 0.00 C ATOM 0 H TRP A 26 -11.074 8.091 -0.251 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.438 8.958 0.060 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.917 10.003 -0.276 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -10.763 10.261 1.450 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.098 11.714 1.920 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.532 13.955 0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.299 11.232 -1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -8.440 15.295 -1.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.440 12.981 -3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.031 15.001 -3.504 1.00 0.00 H new ATOM 414 N GLU A 27 -10.035 8.260 2.842 1.00 0.00 N ATOM 415 CA GLU A 27 -9.893 7.846 4.229 1.00 0.00 C ATOM 416 C GLU A 27 -9.059 6.563 4.340 1.00 0.00 C ATOM 417 O GLU A 27 -8.468 6.283 5.386 1.00 0.00 O ATOM 418 CB GLU A 27 -11.273 7.611 4.836 1.00 0.00 C ATOM 419 CG GLU A 27 -11.253 7.353 6.334 1.00 0.00 C ATOM 420 CD GLU A 27 -12.553 6.766 6.839 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.489 7.533 7.139 1.00 0.00 O ATOM 422 OE2 GLU A 27 -12.649 5.522 6.931 1.00 0.00 O ATOM 0 H GLU A 27 -10.992 8.197 2.493 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.378 8.638 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.900 8.480 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.738 6.761 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.435 6.673 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.053 8.288 6.858 1.00 0.00 H new ATOM 429 N THR A 28 -9.100 5.743 3.293 1.00 0.00 N ATOM 430 CA THR A 28 -8.454 4.432 3.303 1.00 0.00 C ATOM 431 C THR A 28 -7.068 4.308 2.594 1.00 0.00 C ATOM 432 O THR A 28 -6.446 3.265 2.702 1.00 0.00 O ATOM 433 CB THR A 28 -9.410 3.362 2.776 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.715 3.565 3.345 1.00 0.00 O ATOM 435 CG2 THR A 28 -8.906 1.984 3.166 1.00 0.00 C ATOM 0 H THR A 28 -9.578 5.965 2.420 1.00 0.00 H new ATOM 0 HA THR A 28 -8.219 4.278 4.356 1.00 0.00 H new ATOM 0 HB THR A 28 -9.464 3.434 1.690 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.117 4.373 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.591 1.225 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.916 1.824 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.848 1.912 4.252 1.00 0.00 H new ATOM 443 N VAL A 29 -6.579 5.301 1.846 1.00 0.00 N ATOM 444 CA VAL A 29 -5.311 5.112 1.099 1.00 0.00 C ATOM 445 C VAL A 29 -4.306 6.261 1.299 1.00 0.00 C ATOM 446 O VAL A 29 -3.224 6.061 1.822 1.00 0.00 O ATOM 447 CB VAL A 29 -5.506 4.846 -0.425 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.326 3.603 -0.659 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.130 6.025 -1.147 1.00 0.00 C ATOM 0 H VAL A 29 -7.015 6.216 1.736 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.891 4.209 1.541 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.509 4.698 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.446 3.442 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.819 2.745 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.307 3.722 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.243 5.786 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.108 6.239 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.488 6.899 -1.039 1.00 0.00 H new ATOM 459 N SER A 30 -4.632 7.454 0.885 1.00 0.00 N ATOM 460 CA SER A 30 -3.696 8.558 1.037 1.00 0.00 C ATOM 461 C SER A 30 -4.049 9.323 2.296 1.00 0.00 C ATOM 462 O SER A 30 -4.515 10.459 2.246 1.00 0.00 O ATOM 463 CB SER A 30 -3.753 9.446 -0.192 1.00 0.00 C ATOM 464 OG SER A 30 -5.086 9.824 -0.482 1.00 0.00 O ATOM 0 H SER A 30 -5.520 7.695 0.446 1.00 0.00 H new ATOM 0 HA SER A 30 -2.675 8.187 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.145 10.336 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.326 8.920 -1.046 1.00 0.00 H new ATOM 0 HG SER A 30 -5.461 10.311 0.281 1.00 0.00 H new ATOM 470 N THR A 31 -3.893 8.658 3.422 1.00 0.00 N ATOM 471 CA THR A 31 -4.471 9.130 4.652 1.00 0.00 C ATOM 472 C THR A 31 -3.740 8.544 5.850 1.00 0.00 C ATOM 473 O THR A 31 -2.716 7.890 5.686 1.00 0.00 O ATOM 474 CB THR A 31 -5.961 8.789 4.659 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.588 9.054 5.923 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.124 7.346 4.271 1.00 0.00 C ATOM 0 H THR A 31 -3.368 7.787 3.505 1.00 0.00 H new ATOM 0 HA THR A 31 -4.364 10.212 4.724 1.00 0.00 H new ATOM 0 HB THR A 31 -6.463 9.434 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.264 8.368 6.103 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.183 7.087 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.712 7.188 3.274 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.596 6.715 4.986 1.00 0.00 H new ATOM 484 N SER A 32 -4.258 8.826 7.030 1.00 0.00 N ATOM 485 CA SER A 32 -3.745 8.312 8.285 1.00 0.00 C ATOM 486 C SER A 32 -3.814 6.789 8.301 1.00 0.00 C ATOM 487 O SER A 32 -4.339 6.177 7.367 1.00 0.00 O ATOM 488 CB SER A 32 -4.531 8.864 9.469 1.00 0.00 C ATOM 489 OG SER A 32 -5.892 9.089 9.124 1.00 0.00 O ATOM 0 H SER A 32 -5.068 9.435 7.145 1.00 0.00 H new ATOM 0 HA SER A 32 -2.707 8.632 8.374 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.476 8.165 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.079 9.797 9.805 1.00 0.00 H new ATOM 0 HG SER A 32 -6.373 9.441 9.902 1.00 0.00 H new ATOM 495 N GLU A 33 -3.210 6.200 9.338 1.00 0.00 N ATOM 496 CA GLU A 33 -2.821 4.782 9.410 1.00 0.00 C ATOM 497 C GLU A 33 -3.930 3.817 8.981 1.00 0.00 C ATOM 498 O GLU A 33 -3.684 2.617 8.862 1.00 0.00 O ATOM 499 CB GLU A 33 -2.457 4.431 10.851 1.00 0.00 C ATOM 500 CG GLU A 33 -1.795 5.554 11.623 1.00 0.00 C ATOM 501 CD GLU A 33 -1.847 5.307 13.114 1.00 0.00 C ATOM 502 OE1 GLU A 33 -0.967 4.601 13.637 1.00 0.00 O ATOM 503 OE2 GLU A 33 -2.791 5.797 13.768 1.00 0.00 O ATOM 0 H GLU A 33 -2.968 6.715 10.184 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.983 4.667 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.362 4.129 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.790 3.569 10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.757 5.653 11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.290 6.497 11.392 1.00 0.00 H new ATOM 510 N GLY A 34 -5.143 4.319 8.785 1.00 0.00 N ATOM 511 CA GLY A 34 -6.215 3.473 8.305 1.00 0.00 C ATOM 512 C GLY A 34 -5.861 2.839 6.979 1.00 0.00 C ATOM 513 O GLY A 34 -6.213 1.685 6.730 1.00 0.00 O ATOM 0 H GLY A 34 -5.401 5.292 8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.423 2.694 9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.126 4.062 8.198 1.00 0.00 H new ATOM 517 N ILE A 35 -5.154 3.579 6.121 1.00 0.00 N ATOM 518 CA ILE A 35 -4.655 3.005 4.905 1.00 0.00 C ATOM 519 C ILE A 35 -3.574 1.968 5.176 1.00 0.00 C ATOM 520 O ILE A 35 -3.560 0.886 4.600 1.00 0.00 O ATOM 521 CB ILE A 35 -4.129 4.075 3.937 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.256 3.438 2.856 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.385 5.186 4.659 1.00 0.00 C ATOM 524 CD1 ILE A 35 -1.779 3.651 3.098 1.00 0.00 C ATOM 0 H ILE A 35 -4.925 4.563 6.258 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.500 2.506 4.431 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.993 4.535 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.462 2.369 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.525 3.855 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.032 5.919 3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.055 5.672 5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.533 4.766 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.208 3.177 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.563 4.719 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.500 3.210 4.055 1.00 0.00 H new ATOM 536 N ALA A 36 -2.677 2.311 6.068 1.00 0.00 N ATOM 537 CA ALA A 36 -1.563 1.434 6.413 1.00 0.00 C ATOM 538 C ALA A 36 -2.046 0.062 6.883 1.00 0.00 C ATOM 539 O ALA A 36 -1.385 -0.946 6.667 1.00 0.00 O ATOM 540 CB ALA A 36 -0.693 2.080 7.469 1.00 0.00 C ATOM 0 H ALA A 36 -2.689 3.195 6.576 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.971 1.281 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.134 1.414 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.299 3.023 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.286 2.269 8.363 1.00 0.00 H new ATOM 546 N LYS A 37 -3.199 0.037 7.538 1.00 0.00 N ATOM 547 CA LYS A 37 -3.709 -1.182 8.157 1.00 0.00 C ATOM 548 C LYS A 37 -4.031 -2.305 7.157 1.00 0.00 C ATOM 549 O LYS A 37 -4.200 -3.453 7.573 1.00 0.00 O ATOM 550 CB LYS A 37 -4.923 -0.863 9.028 1.00 0.00 C ATOM 551 CG LYS A 37 -4.544 -0.144 10.313 1.00 0.00 C ATOM 552 CD LYS A 37 -5.759 0.230 11.141 1.00 0.00 C ATOM 553 CE LYS A 37 -5.349 0.837 12.474 1.00 0.00 C ATOM 554 NZ LYS A 37 -4.690 -0.157 13.363 1.00 0.00 N ATOM 0 H LYS A 37 -3.803 0.851 7.655 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.902 -1.569 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.620 -0.245 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.444 -1.789 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.886 -0.782 10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.981 0.757 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.374 0.940 10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.371 -0.655 11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.670 1.672 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.229 1.242 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.657 0.214 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.230 -1.046 13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.722 -0.335 13.027 1.00 0.00 H new ATOM 568 N TRP A 38 -4.112 -2.014 5.855 1.00 0.00 N ATOM 569 CA TRP A 38 -4.226 -3.100 4.878 1.00 0.00 C ATOM 570 C TRP A 38 -2.861 -3.418 4.252 1.00 0.00 C ATOM 571 O TRP A 38 -2.784 -3.983 3.163 1.00 0.00 O ATOM 572 CB TRP A 38 -5.334 -2.880 3.798 1.00 0.00 C ATOM 573 CG TRP A 38 -5.437 -1.498 3.237 1.00 0.00 C ATOM 574 CD1 TRP A 38 -6.038 -0.442 3.839 1.00 0.00 C ATOM 575 CD2 TRP A 38 -4.996 -1.025 1.947 1.00 0.00 C ATOM 576 NE1 TRP A 38 -5.906 0.674 3.056 1.00 0.00 N ATOM 577 CE2 TRP A 38 -5.276 0.341 1.898 1.00 0.00 C ATOM 578 CE3 TRP A 38 -4.361 -1.594 0.845 1.00 0.00 C ATOM 579 CZ2 TRP A 38 -4.943 1.132 0.807 1.00 0.00 C ATOM 580 CZ3 TRP A 38 -4.053 -0.791 -0.240 1.00 0.00 C ATOM 581 CH2 TRP A 38 -4.334 0.552 -0.240 1.00 0.00 C ATOM 0 H TRP A 38 -4.101 -1.072 5.464 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.560 -3.974 5.437 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.154 -3.572 2.975 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.297 -3.146 4.234 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.544 -0.476 4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -6.230 1.609 3.303 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.113 -2.645 0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.168 2.188 0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.581 -1.232 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.061 1.152 -1.095 1.00 0.00 H new ATOM 592 N PHE A 39 -1.783 -3.051 4.967 1.00 0.00 N ATOM 593 CA PHE A 39 -0.428 -3.522 4.651 1.00 0.00 C ATOM 594 C PHE A 39 0.592 -3.064 5.711 1.00 0.00 C ATOM 595 O PHE A 39 1.478 -2.258 5.431 1.00 0.00 O ATOM 596 CB PHE A 39 0.022 -3.107 3.234 1.00 0.00 C ATOM 597 CG PHE A 39 0.138 -1.625 2.989 1.00 0.00 C ATOM 598 CD1 PHE A 39 -0.982 -0.815 2.970 1.00 0.00 C ATOM 599 CD2 PHE A 39 1.379 -1.051 2.769 1.00 0.00 C ATOM 600 CE1 PHE A 39 -0.866 0.538 2.737 1.00 0.00 C ATOM 601 CE2 PHE A 39 1.502 0.302 2.535 1.00 0.00 C ATOM 602 CZ PHE A 39 0.379 1.099 2.522 1.00 0.00 C ATOM 0 H PHE A 39 -1.828 -2.426 5.772 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.466 -4.611 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.990 -3.566 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.684 -3.521 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.957 -1.247 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.263 -1.672 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.748 1.161 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.476 0.736 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.471 2.160 2.344 1.00 0.00 H new ATOM 612 N MET A 40 0.451 -3.604 6.929 1.00 0.00 N ATOM 613 CA MET A 40 1.413 -3.383 8.025 1.00 0.00 C ATOM 614 C MET A 40 1.218 -2.005 8.671 1.00 0.00 C ATOM 615 O MET A 40 1.307 -0.970 8.011 1.00 0.00 O ATOM 616 CB MET A 40 2.861 -3.571 7.526 1.00 0.00 C ATOM 617 CG MET A 40 3.904 -3.747 8.624 1.00 0.00 C ATOM 618 SD MET A 40 4.373 -2.206 9.438 1.00 0.00 S ATOM 619 CE MET A 40 5.622 -2.796 10.579 1.00 0.00 C ATOM 0 H MET A 40 -0.331 -4.206 7.185 1.00 0.00 H new ATOM 0 HA MET A 40 1.223 -4.131 8.795 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.894 -4.442 6.872 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.135 -2.707 6.920 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.517 -4.439 9.372 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.795 -4.206 8.196 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.011 -1.958 11.158 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.181 -3.530 11.254 1.00 0.00 H new ATOM 0 HE3 MET A 40 6.435 -3.260 10.020 1.00 0.00 H new ATOM 629 N PRO A 41 0.928 -1.998 9.987 1.00 0.00 N ATOM 630 CA PRO A 41 0.661 -0.780 10.766 1.00 0.00 C ATOM 631 C PRO A 41 1.712 0.307 10.617 1.00 0.00 C ATOM 632 O PRO A 41 2.880 0.121 10.974 1.00 0.00 O ATOM 633 CB PRO A 41 0.677 -1.240 12.216 1.00 0.00 C ATOM 634 CG PRO A 41 1.105 -2.673 12.203 1.00 0.00 C ATOM 635 CD PRO A 41 0.819 -3.196 10.825 1.00 0.00 C ATOM 0 HA PRO A 41 -0.275 -0.340 10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.365 -0.635 12.807 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.309 -1.134 12.667 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.166 -2.762 12.438 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.562 -3.246 12.955 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.535 -3.963 10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.173 -3.644 10.761 1.00 0.00 H new ATOM 643 N ASN A 42 1.272 1.455 10.147 1.00 0.00 N ATOM 644 CA ASN A 42 2.148 2.597 9.967 1.00 0.00 C ATOM 645 C ASN A 42 1.352 3.886 9.983 1.00 0.00 C ATOM 646 O ASN A 42 0.246 3.944 9.462 1.00 0.00 O ATOM 647 CB ASN A 42 2.912 2.430 8.659 1.00 0.00 C ATOM 648 CG ASN A 42 3.838 3.595 8.335 1.00 0.00 C ATOM 649 OD1 ASN A 42 4.466 4.178 9.349 1.00 0.00 O flip ATOM 650 ND2 ASN A 42 4.011 3.952 7.170 1.00 0.00 N flip ATOM 0 H ASN A 42 0.302 1.624 9.880 1.00 0.00 H new ATOM 0 HA ASN A 42 2.862 2.649 10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.500 1.513 8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.198 2.308 7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.513 3.483 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.653 4.717 6.961 1.00 0.00 H new ATOM 657 N ASP A 43 1.913 4.918 10.580 1.00 0.00 N ATOM 658 CA ASP A 43 1.271 6.209 10.616 1.00 0.00 C ATOM 659 C ASP A 43 1.557 6.994 9.351 1.00 0.00 C ATOM 660 O ASP A 43 2.101 8.098 9.383 1.00 0.00 O ATOM 661 CB ASP A 43 1.673 6.994 11.869 1.00 0.00 C ATOM 662 CG ASP A 43 3.176 7.138 12.073 1.00 0.00 C ATOM 663 OD1 ASP A 43 3.906 6.131 11.912 1.00 0.00 O ATOM 664 OD2 ASP A 43 3.621 8.251 12.433 1.00 0.00 O ATOM 0 H ASP A 43 2.818 4.883 11.049 1.00 0.00 H new ATOM 0 HA ASP A 43 0.194 6.047 10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.230 7.989 11.816 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.247 6.501 12.743 1.00 0.00 H new ATOM 669 N PHE A 44 1.223 6.386 8.222 1.00 0.00 N ATOM 670 CA PHE A 44 1.135 7.126 6.976 1.00 0.00 C ATOM 671 C PHE A 44 0.027 8.169 7.083 1.00 0.00 C ATOM 672 O PHE A 44 -1.010 7.922 7.680 1.00 0.00 O ATOM 673 CB PHE A 44 0.850 6.218 5.769 1.00 0.00 C ATOM 674 CG PHE A 44 0.827 7.009 4.487 1.00 0.00 C ATOM 675 CD1 PHE A 44 1.830 7.925 4.245 1.00 0.00 C ATOM 676 CD2 PHE A 44 -0.196 6.883 3.557 1.00 0.00 C ATOM 677 CE1 PHE A 44 1.829 8.699 3.111 1.00 0.00 C ATOM 678 CE2 PHE A 44 -0.203 7.665 2.408 1.00 0.00 C ATOM 679 CZ PHE A 44 0.812 8.573 2.189 1.00 0.00 C ATOM 0 H PHE A 44 1.011 5.391 8.145 1.00 0.00 H new ATOM 0 HA PHE A 44 2.103 7.600 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.612 5.441 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.107 5.715 5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.631 8.035 4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.992 6.173 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.626 9.408 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.001 7.562 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.810 9.183 1.298 1.00 0.00 H new ATOM 689 N GLN A 45 0.303 9.340 6.548 1.00 0.00 N ATOM 690 CA GLN A 45 -0.676 10.397 6.319 1.00 0.00 C ATOM 691 C GLN A 45 -0.311 10.975 4.974 1.00 0.00 C ATOM 692 O GLN A 45 0.877 10.986 4.661 1.00 0.00 O ATOM 693 CB GLN A 45 -0.614 11.493 7.397 1.00 0.00 C ATOM 694 CG GLN A 45 -1.337 11.152 8.696 1.00 0.00 C ATOM 695 CD GLN A 45 -0.530 10.257 9.612 1.00 0.00 C ATOM 696 OE1 GLN A 45 0.781 10.418 9.582 1.00 0.00 O flip ATOM 697 NE2 GLN A 45 -1.083 9.447 10.356 1.00 0.00 N flip ATOM 0 H GLN A 45 1.244 9.596 6.249 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.691 10.002 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.432 11.702 7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.041 12.409 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.579 12.075 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.282 10.662 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.099 9.356 10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.525 8.867 10.983 1.00 0.00 H new ATOM 706 N LEU A 46 -1.252 11.458 4.163 1.00 0.00 N ATOM 707 CA LEU A 46 -0.846 11.843 2.825 1.00 0.00 C ATOM 708 C LEU A 46 -0.019 13.112 2.896 1.00 0.00 C ATOM 709 O LEU A 46 -0.493 14.226 3.123 1.00 0.00 O ATOM 710 CB LEU A 46 -2.020 11.983 1.843 1.00 0.00 C ATOM 711 CG LEU A 46 -2.820 13.288 1.884 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.815 13.335 0.736 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.545 13.455 3.214 1.00 0.00 C ATOM 0 H LEU A 46 -2.238 11.584 4.393 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.237 11.034 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.631 11.858 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.710 11.159 2.023 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.115 14.113 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.376 14.269 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.280 13.276 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.504 12.494 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.103 14.391 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.234 12.623 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.818 13.470 4.026 1.00 0.00 H new ATOM 725 N LYS A 47 1.251 12.866 2.748 1.00 0.00 N ATOM 726 CA LYS A 47 2.278 13.856 2.778 1.00 0.00 C ATOM 727 C LYS A 47 3.149 13.631 1.600 1.00 0.00 C ATOM 728 O LYS A 47 3.100 12.581 1.023 1.00 0.00 O ATOM 729 CB LYS A 47 3.076 13.796 4.050 1.00 0.00 C ATOM 730 CG LYS A 47 2.839 15.006 4.921 1.00 0.00 C ATOM 731 CD LYS A 47 3.399 16.273 4.298 1.00 0.00 C ATOM 732 CE LYS A 47 3.052 17.499 5.128 1.00 0.00 C ATOM 733 NZ LYS A 47 3.599 17.411 6.508 1.00 0.00 N ATOM 0 H LYS A 47 1.611 11.924 2.596 1.00 0.00 H new ATOM 0 HA LYS A 47 1.831 14.849 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.812 12.894 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.137 13.724 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.769 15.127 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.300 14.847 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.482 16.188 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.003 16.390 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.444 18.391 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.969 17.611 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.489 18.329 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.084 16.681 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.608 17.162 6.466 1.00 0.00 H new ATOM 747 N GLU A 48 3.802 14.639 1.149 1.00 0.00 N ATOM 748 CA GLU A 48 4.702 14.481 0.049 1.00 0.00 C ATOM 749 C GLU A 48 6.125 14.871 0.406 1.00 0.00 C ATOM 750 O GLU A 48 6.363 15.912 1.020 1.00 0.00 O ATOM 751 CB GLU A 48 4.171 15.202 -1.162 1.00 0.00 C ATOM 752 CG GLU A 48 3.934 14.222 -2.262 1.00 0.00 C ATOM 753 CD GLU A 48 5.210 13.942 -3.018 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.056 13.195 -2.498 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.383 14.495 -4.125 1.00 0.00 O ATOM 0 H GLU A 48 3.735 15.587 1.520 1.00 0.00 H new ATOM 0 HA GLU A 48 4.758 13.422 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.243 15.717 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.881 15.963 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.540 13.293 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.180 14.612 -2.945 1.00 0.00 H new ATOM 762 N GLY A 49 7.060 14.014 0.007 1.00 0.00 N ATOM 763 CA GLY A 49 8.468 14.195 0.344 1.00 0.00 C ATOM 764 C GLY A 49 8.664 14.350 1.836 1.00 0.00 C ATOM 765 O GLY A 49 9.468 15.159 2.297 1.00 0.00 O ATOM 0 H GLY A 49 6.866 13.184 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.042 13.340 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.856 15.075 -0.169 1.00 0.00 H new ATOM 769 N GLN A 50 7.901 13.578 2.580 1.00 0.00 N ATOM 770 CA GLN A 50 7.766 13.742 3.987 1.00 0.00 C ATOM 771 C GLN A 50 8.432 12.611 4.710 1.00 0.00 C ATOM 772 O GLN A 50 8.494 11.505 4.197 1.00 0.00 O ATOM 773 CB GLN A 50 6.272 13.775 4.264 1.00 0.00 C ATOM 774 CG GLN A 50 5.824 13.125 5.553 1.00 0.00 C ATOM 775 CD GLN A 50 5.883 14.067 6.740 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.725 14.963 6.797 1.00 0.00 O ATOM 777 NE2 GLN A 50 4.983 13.880 7.690 1.00 0.00 N ATOM 0 H GLN A 50 7.351 12.806 2.203 1.00 0.00 H new ATOM 0 HA GLN A 50 8.245 14.657 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.947 14.815 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.758 13.287 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.803 12.761 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.451 12.256 5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.302 13.126 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.970 14.490 8.507 1.00 0.00 H new ATOM 786 N GLU A 51 8.895 12.870 5.902 1.00 0.00 N ATOM 787 CA GLU A 51 9.162 11.785 6.799 1.00 0.00 C ATOM 788 C GLU A 51 8.182 11.923 7.941 1.00 0.00 C ATOM 789 O GLU A 51 8.062 12.992 8.543 1.00 0.00 O ATOM 790 CB GLU A 51 10.607 11.797 7.318 1.00 0.00 C ATOM 791 CG GLU A 51 11.669 11.640 6.237 1.00 0.00 C ATOM 792 CD GLU A 51 11.968 12.934 5.502 1.00 0.00 C ATOM 793 OE1 GLU A 51 12.331 13.929 6.166 1.00 0.00 O ATOM 794 OE2 GLU A 51 11.855 12.963 4.260 1.00 0.00 O ATOM 0 H GLU A 51 9.091 13.802 6.267 1.00 0.00 H new ATOM 0 HA GLU A 51 9.044 10.834 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.782 12.734 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.725 10.993 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.587 11.266 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.339 10.889 5.519 1.00 0.00 H new ATOM 801 N PHE A 52 7.485 10.852 8.249 1.00 0.00 N ATOM 802 CA PHE A 52 6.345 10.951 9.141 1.00 0.00 C ATOM 803 C PHE A 52 6.766 10.616 10.568 1.00 0.00 C ATOM 804 O PHE A 52 7.178 9.495 10.857 1.00 0.00 O ATOM 805 CB PHE A 52 5.203 10.030 8.671 1.00 0.00 C ATOM 806 CG PHE A 52 5.079 9.861 7.195 1.00 0.00 C ATOM 807 CD1 PHE A 52 5.940 9.049 6.491 1.00 0.00 C ATOM 808 CD2 PHE A 52 4.071 10.510 6.514 1.00 0.00 C ATOM 809 CE1 PHE A 52 5.800 8.892 5.140 1.00 0.00 C ATOM 810 CE2 PHE A 52 3.928 10.353 5.165 1.00 0.00 C ATOM 811 CZ PHE A 52 4.798 9.545 4.473 1.00 0.00 C ATOM 0 H PHE A 52 7.681 9.913 7.902 1.00 0.00 H new ATOM 0 HA PHE A 52 5.974 11.976 9.123 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.344 9.047 9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.262 10.424 9.054 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.733 8.532 7.011 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.387 11.149 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.481 8.252 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.132 10.863 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.692 9.425 3.405 1.00 0.00 H new ATOM 821 N HIS A 53 6.687 11.607 11.451 1.00 0.00 N ATOM 822 CA HIS A 53 7.130 11.439 12.828 1.00 0.00 C ATOM 823 C HIS A 53 6.125 12.039 13.805 1.00 0.00 C ATOM 824 O HIS A 53 5.582 13.119 13.563 1.00 0.00 O ATOM 825 CB HIS A 53 8.506 12.102 13.017 1.00 0.00 C ATOM 826 CG HIS A 53 9.031 12.074 14.427 1.00 0.00 C ATOM 827 ND1 HIS A 53 9.290 10.910 15.112 1.00 0.00 N ATOM 828 CD2 HIS A 53 9.357 13.081 15.273 1.00 0.00 C ATOM 829 CE1 HIS A 53 9.749 11.197 16.315 1.00 0.00 C ATOM 830 NE2 HIS A 53 9.801 12.508 16.441 1.00 0.00 N ATOM 0 H HIS A 53 6.320 12.534 11.236 1.00 0.00 H new ATOM 0 HA HIS A 53 7.209 10.372 13.035 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.226 11.605 12.366 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.442 13.139 12.688 1.00 0.00 H new ATOM 0 HD1 HIS A 53 9.149 9.969 14.746 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.282 14.139 15.068 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.034 10.479 17.069 1.00 0.00 H new ATOM 839 N LEU A 54 5.898 11.321 14.906 1.00 0.00 N ATOM 840 CA LEU A 54 5.075 11.794 16.017 1.00 0.00 C ATOM 841 C LEU A 54 3.700 12.265 15.540 1.00 0.00 C ATOM 842 O LEU A 54 3.366 13.446 15.637 1.00 0.00 O ATOM 843 CB LEU A 54 5.798 12.917 16.771 1.00 0.00 C ATOM 844 CG LEU A 54 5.135 13.371 18.075 1.00 0.00 C ATOM 845 CD1 LEU A 54 5.074 12.223 19.074 1.00 0.00 C ATOM 846 CD2 LEU A 54 5.885 14.559 18.664 1.00 0.00 C ATOM 0 H LEU A 54 6.284 10.388 15.052 1.00 0.00 H new ATOM 0 HA LEU A 54 4.916 10.956 16.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.812 12.585 16.996 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.884 13.778 16.109 1.00 0.00 H new ATOM 0 HG LEU A 54 4.114 13.683 17.854 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.600 12.566 19.994 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.494 11.403 18.651 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.084 11.878 19.294 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.403 14.871 19.590 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.916 14.272 18.871 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.874 15.385 17.953 1.00 0.00 H new ATOM 858 N GLN A 55 2.915 11.348 15.004 1.00 0.00 N ATOM 859 CA GLN A 55 1.554 11.671 14.612 1.00 0.00 C ATOM 860 C GLN A 55 0.563 10.965 15.525 1.00 0.00 C ATOM 861 O GLN A 55 -0.137 11.605 16.308 1.00 0.00 O ATOM 862 CB GLN A 55 1.305 11.293 13.151 1.00 0.00 C ATOM 863 CG GLN A 55 -0.080 11.676 12.650 1.00 0.00 C ATOM 864 CD GLN A 55 -0.402 13.140 12.886 1.00 0.00 C ATOM 865 OE1 GLN A 55 -0.979 13.503 13.912 1.00 0.00 O ATOM 866 NE2 GLN A 55 -0.026 13.991 11.946 1.00 0.00 N ATOM 0 H GLN A 55 3.192 10.382 14.831 1.00 0.00 H new ATOM 0 HA GLN A 55 1.413 12.747 14.710 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.055 11.778 12.526 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.440 10.218 13.035 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.149 11.460 11.584 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.827 11.059 13.149 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.450 13.650 11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.212 14.988 12.057 1.00 0.00 H new ATOM 875 N SER A 56 0.515 9.647 15.434 1.00 0.00 N ATOM 876 CA SER A 56 -0.396 8.868 16.255 1.00 0.00 C ATOM 877 C SER A 56 0.359 7.853 17.124 1.00 0.00 C ATOM 878 O SER A 56 0.174 7.831 18.339 1.00 0.00 O ATOM 879 CB SER A 56 -1.441 8.177 15.375 1.00 0.00 C ATOM 880 OG SER A 56 -2.115 9.117 14.548 1.00 0.00 O ATOM 0 H SER A 56 1.094 9.095 14.802 1.00 0.00 H new ATOM 0 HA SER A 56 -0.911 9.549 16.932 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.957 7.423 14.754 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.164 7.657 16.003 1.00 0.00 H new ATOM 0 HG SER A 56 -2.776 8.651 13.994 1.00 0.00 H new ATOM 886 N PRO A 57 1.210 6.983 16.537 1.00 0.00 N ATOM 887 CA PRO A 57 2.014 6.046 17.302 1.00 0.00 C ATOM 888 C PRO A 57 3.386 6.616 17.671 1.00 0.00 C ATOM 889 O PRO A 57 3.608 7.012 18.815 1.00 0.00 O ATOM 890 CB PRO A 57 2.157 4.844 16.359 1.00 0.00 C ATOM 891 CG PRO A 57 1.725 5.316 15.003 1.00 0.00 C ATOM 892 CD PRO A 57 1.439 6.793 15.105 1.00 0.00 C ATOM 0 HA PRO A 57 1.551 5.798 18.257 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.187 4.488 16.336 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.540 4.011 16.695 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.505 5.127 14.265 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.837 4.776 14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.276 7.392 14.747 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.568 7.078 14.515 1.00 0.00 H new ATOM 900 N PHE A 58 4.297 6.682 16.697 1.00 0.00 N ATOM 901 CA PHE A 58 5.660 7.134 16.964 1.00 0.00 C ATOM 902 C PHE A 58 6.359 7.612 15.686 1.00 0.00 C ATOM 903 O PHE A 58 6.733 8.782 15.591 1.00 0.00 O ATOM 904 CB PHE A 58 6.476 6.029 17.674 1.00 0.00 C ATOM 905 CG PHE A 58 6.575 4.709 16.941 1.00 0.00 C ATOM 906 CD1 PHE A 58 5.442 3.971 16.638 1.00 0.00 C ATOM 907 CD2 PHE A 58 7.809 4.208 16.561 1.00 0.00 C ATOM 908 CE1 PHE A 58 5.536 2.764 15.971 1.00 0.00 C ATOM 909 CE2 PHE A 58 7.910 3.002 15.894 1.00 0.00 C ATOM 910 CZ PHE A 58 6.773 2.279 15.598 1.00 0.00 C ATOM 0 H PHE A 58 4.116 6.430 15.725 1.00 0.00 H new ATOM 0 HA PHE A 58 5.599 7.991 17.635 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.485 6.403 17.847 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.031 5.847 18.652 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.471 4.345 16.927 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.704 4.767 16.789 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.643 2.201 15.742 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.880 2.625 15.604 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.851 1.337 15.076 1.00 0.00 H new ATOM 920 N GLY A 59 6.521 6.722 14.710 1.00 0.00 N ATOM 921 CA GLY A 59 7.177 7.086 13.459 1.00 0.00 C ATOM 922 C GLY A 59 8.614 7.552 13.658 1.00 0.00 C ATOM 923 O GLY A 59 8.881 8.753 13.676 1.00 0.00 O ATOM 0 H GLY A 59 6.210 5.752 14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.168 6.228 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.607 7.878 12.973 1.00 0.00 H new ATOM 927 N PRO A 60 9.573 6.624 13.798 1.00 0.00 N ATOM 928 CA PRO A 60 10.966 6.959 14.069 1.00 0.00 C ATOM 929 C PRO A 60 11.768 7.158 12.784 1.00 0.00 C ATOM 930 O PRO A 60 12.725 6.429 12.522 1.00 0.00 O ATOM 931 CB PRO A 60 11.450 5.725 14.828 1.00 0.00 C ATOM 932 CG PRO A 60 10.666 4.589 14.249 1.00 0.00 C ATOM 933 CD PRO A 60 9.386 5.170 13.681 1.00 0.00 C ATOM 0 HA PRO A 60 11.083 7.895 14.616 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.521 5.574 14.696 1.00 0.00 H new ATOM 0 HB3 PRO A 60 11.272 5.824 15.899 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.238 4.084 13.470 1.00 0.00 H new ATOM 0 HG3 PRO A 60 10.444 3.845 15.014 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.237 4.869 12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.513 4.834 14.240 1.00 0.00 H new ATOM 941 N SER A 61 11.367 8.157 12.000 1.00 0.00 N ATOM 942 CA SER A 61 11.950 8.397 10.683 1.00 0.00 C ATOM 943 C SER A 61 11.790 7.145 9.816 1.00 0.00 C ATOM 944 O SER A 61 12.766 6.481 9.465 1.00 0.00 O ATOM 945 CB SER A 61 13.429 8.790 10.807 1.00 0.00 C ATOM 946 OG SER A 61 13.949 9.251 9.569 1.00 0.00 O ATOM 0 H SER A 61 10.634 8.818 12.258 1.00 0.00 H new ATOM 0 HA SER A 61 11.425 9.226 10.208 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.538 9.569 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.007 7.932 11.149 1.00 0.00 H new ATOM 0 HG SER A 61 14.892 9.495 9.681 1.00 0.00 H new ATOM 952 N PRO A 62 10.539 6.789 9.487 1.00 0.00 N ATOM 953 CA PRO A 62 10.237 5.575 8.751 1.00 0.00 C ATOM 954 C PRO A 62 10.195 5.780 7.241 1.00 0.00 C ATOM 955 O PRO A 62 11.205 5.693 6.545 1.00 0.00 O ATOM 956 CB PRO A 62 8.843 5.215 9.273 1.00 0.00 C ATOM 957 CG PRO A 62 8.203 6.528 9.629 1.00 0.00 C ATOM 958 CD PRO A 62 9.314 7.537 9.813 1.00 0.00 C ATOM 0 HA PRO A 62 10.997 4.808 8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.263 4.687 8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.905 4.559 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.520 6.848 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.615 6.433 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.185 8.396 9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.340 7.919 10.834 1.00 0.00 H new ATOM 966 N CYS A 63 9.017 6.111 6.768 1.00 0.00 N ATOM 967 CA CYS A 63 8.711 6.162 5.360 1.00 0.00 C ATOM 968 C CYS A 63 8.733 7.590 4.838 1.00 0.00 C ATOM 969 O CYS A 63 8.769 8.542 5.621 1.00 0.00 O ATOM 970 CB CYS A 63 7.334 5.539 5.164 1.00 0.00 C ATOM 971 SG CYS A 63 6.216 5.798 6.563 1.00 0.00 S ATOM 0 H CYS A 63 8.228 6.358 7.365 1.00 0.00 H new ATOM 0 HA CYS A 63 9.465 5.611 4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.880 5.956 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.449 4.468 4.995 1.00 0.00 H new ATOM 0 HG CYS A 63 5.743 7.008 6.522 1.00 0.00 H new ATOM 977 N LYS A 64 8.754 7.737 3.518 1.00 0.00 N ATOM 978 CA LYS A 64 8.690 9.051 2.898 1.00 0.00 C ATOM 979 C LYS A 64 7.867 8.945 1.638 1.00 0.00 C ATOM 980 O LYS A 64 7.933 7.933 0.938 1.00 0.00 O ATOM 981 CB LYS A 64 10.094 9.560 2.560 1.00 0.00 C ATOM 982 CG LYS A 64 10.831 8.713 1.532 1.00 0.00 C ATOM 983 CD LYS A 64 12.050 9.441 0.997 1.00 0.00 C ATOM 984 CE LYS A 64 12.734 8.661 -0.112 1.00 0.00 C ATOM 985 NZ LYS A 64 13.786 9.471 -0.777 1.00 0.00 N ATOM 0 H LYS A 64 8.815 6.961 2.859 1.00 0.00 H new ATOM 0 HA LYS A 64 8.233 9.757 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.019 10.581 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.685 9.598 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.137 7.770 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.159 8.468 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.752 10.420 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.756 9.612 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.177 7.754 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.994 8.348 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.233 8.909 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.358 10.324 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.505 9.748 -0.078 1.00 0.00 H new ATOM 999 N VAL A 65 7.059 9.949 1.355 1.00 0.00 N ATOM 1000 CA VAL A 65 6.265 9.901 0.159 1.00 0.00 C ATOM 1001 C VAL A 65 7.053 10.370 -1.043 1.00 0.00 C ATOM 1002 O VAL A 65 7.750 11.383 -0.999 1.00 0.00 O ATOM 1003 CB VAL A 65 4.971 10.699 0.309 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.190 10.723 -0.985 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.127 10.094 1.414 1.00 0.00 C ATOM 0 H VAL A 65 6.941 10.786 1.926 1.00 0.00 H new ATOM 0 HA VAL A 65 5.992 8.859 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 65 5.228 11.727 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.274 11.298 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.794 11.185 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.937 9.704 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.204 10.664 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.888 9.060 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.681 10.123 2.352 1.00 0.00 H new ATOM 1015 N LEU A 66 6.964 9.577 -2.088 1.00 0.00 N ATOM 1016 CA LEU A 66 7.594 9.858 -3.354 1.00 0.00 C ATOM 1017 C LEU A 66 6.730 10.803 -4.178 1.00 0.00 C ATOM 1018 O LEU A 66 7.235 11.678 -4.882 1.00 0.00 O ATOM 1019 CB LEU A 66 7.779 8.541 -4.101 1.00 0.00 C ATOM 1020 CG LEU A 66 9.235 8.084 -4.280 1.00 0.00 C ATOM 1021 CD1 LEU A 66 10.010 9.101 -5.096 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.914 7.858 -2.934 1.00 0.00 C ATOM 0 H LEU A 66 6.440 8.702 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 66 8.559 10.336 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.234 7.761 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.321 8.634 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 66 9.225 7.134 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.040 8.764 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.548 9.208 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.000 10.063 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.943 7.535 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.910 8.787 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.375 7.090 -2.379 1.00 0.00 H new ATOM 1034 N ALA A 67 5.427 10.574 -4.119 1.00 0.00 N ATOM 1035 CA ALA A 67 4.450 11.416 -4.772 1.00 0.00 C ATOM 1036 C ALA A 67 3.106 11.237 -4.094 1.00 0.00 C ATOM 1037 O ALA A 67 2.756 10.129 -3.722 1.00 0.00 O ATOM 1038 CB ALA A 67 4.345 11.065 -6.236 1.00 0.00 C ATOM 0 H ALA A 67 5.019 9.790 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 67 4.763 12.457 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.605 11.708 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.313 11.209 -6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.040 10.024 -6.340 1.00 0.00 H new ATOM 1044 N VAL A 68 2.349 12.291 -3.920 1.00 0.00 N ATOM 1045 CA VAL A 68 1.005 12.123 -3.399 1.00 0.00 C ATOM 1046 C VAL A 68 0.025 13.048 -4.101 1.00 0.00 C ATOM 1047 O VAL A 68 0.294 14.230 -4.323 1.00 0.00 O ATOM 1048 CB VAL A 68 0.889 12.236 -1.848 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.538 13.647 -1.393 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.139 11.226 -1.343 1.00 0.00 C ATOM 0 H VAL A 68 2.625 13.252 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 68 0.737 11.091 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 68 1.865 12.010 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.469 13.672 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.312 14.339 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.419 13.941 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.222 11.303 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.108 11.435 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.178 10.218 -1.612 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.082 12.461 -4.494 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.105 13.112 -5.277 1.00 0.00 C ATOM 1062 C GLN A 69 -3.457 12.652 -4.795 1.00 0.00 C ATOM 1063 O GLN A 69 -3.658 11.448 -4.589 1.00 0.00 O ATOM 1064 CB GLN A 69 -1.933 12.720 -6.734 1.00 0.00 C ATOM 1065 CG GLN A 69 -0.737 13.357 -7.422 1.00 0.00 C ATOM 1066 CD GLN A 69 -0.843 14.867 -7.509 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -1.936 15.426 -7.597 1.00 0.00 O ATOM 1068 NE2 GLN A 69 0.294 15.539 -7.486 1.00 0.00 N ATOM 0 H GLN A 69 -1.301 11.490 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.025 14.194 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.837 11.636 -6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.837 12.992 -7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.171 13.092 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.641 12.946 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.180 15.039 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.286 16.557 -7.542 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.400 13.578 -4.699 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.648 13.294 -4.023 1.00 0.00 C ATOM 1079 C ALA A 70 -6.392 12.232 -4.783 1.00 0.00 C ATOM 1080 O ALA A 70 -6.755 12.434 -5.941 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.522 14.531 -3.903 1.00 0.00 C ATOM 0 H ALA A 70 -4.322 14.522 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.413 12.951 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.448 14.274 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.993 15.296 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.752 14.912 -4.898 1.00 0.00 H new ATOM 1087 N PRO A 71 -6.705 11.131 -4.080 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.033 9.837 -4.622 1.00 0.00 C ATOM 1089 C PRO A 71 -7.016 9.733 -6.139 1.00 0.00 C ATOM 1090 O PRO A 71 -8.026 9.460 -6.788 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.384 9.669 -3.972 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.086 10.074 -2.558 1.00 0.00 C ATOM 1093 CD PRO A 71 -6.936 11.072 -2.640 1.00 0.00 C ATOM 0 HA PRO A 71 -6.311 9.047 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.142 10.305 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.746 8.643 -4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.961 10.524 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.810 9.209 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.206 12.044 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.055 10.729 -2.097 1.00 0.00 H new ATOM 1101 N THR A 72 -5.828 9.968 -6.677 1.00 0.00 N ATOM 1102 CA THR A 72 -5.507 9.668 -8.051 1.00 0.00 C ATOM 1103 C THR A 72 -4.164 8.950 -8.094 1.00 0.00 C ATOM 1104 O THR A 72 -3.990 7.974 -8.829 1.00 0.00 O ATOM 1105 CB THR A 72 -5.447 10.941 -8.918 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.640 11.934 -8.273 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.843 11.493 -9.176 1.00 0.00 C ATOM 0 H THR A 72 -5.053 10.379 -6.157 1.00 0.00 H new ATOM 0 HA THR A 72 -6.294 9.034 -8.459 1.00 0.00 H new ATOM 0 HB THR A 72 -5.001 10.680 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.104 12.266 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.772 12.391 -9.790 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.440 10.744 -9.697 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.318 11.740 -8.226 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.213 9.432 -7.289 1.00 0.00 N ATOM 1116 CA GLU A 73 -1.913 8.781 -7.186 1.00 0.00 C ATOM 1117 C GLU A 73 -1.379 8.879 -5.767 1.00 0.00 C ATOM 1118 O GLU A 73 -1.405 9.935 -5.155 1.00 0.00 O ATOM 1119 CB GLU A 73 -0.897 9.414 -8.137 1.00 0.00 C ATOM 1120 CG GLU A 73 0.366 8.578 -8.311 1.00 0.00 C ATOM 1121 CD GLU A 73 1.411 9.259 -9.168 1.00 0.00 C ATOM 1122 OE1 GLU A 73 1.258 9.276 -10.408 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.392 9.784 -8.606 1.00 0.00 O ATOM 0 H GLU A 73 -3.321 10.262 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.053 7.735 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.364 9.562 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.623 10.400 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.791 8.363 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.103 7.621 -8.761 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.901 7.780 -5.251 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.175 7.780 -4.006 1.00 0.00 C ATOM 1132 C LEU A 74 1.104 7.031 -4.234 1.00 0.00 C ATOM 1133 O LEU A 74 1.081 5.959 -4.788 1.00 0.00 O ATOM 1134 CB LEU A 74 -1.019 7.094 -2.926 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.420 6.990 -1.543 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.527 6.823 -0.541 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.541 5.833 -1.430 1.00 0.00 C ATOM 0 H LEU A 74 -1.002 6.860 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 74 0.041 8.795 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.964 7.630 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.253 6.086 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 74 0.140 7.904 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.103 6.747 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.194 7.684 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.089 5.916 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.948 5.796 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.016 4.902 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.354 5.964 -2.144 1.00 0.00 H new ATOM 1149 N SER A 75 2.220 7.593 -3.884 1.00 0.00 N ATOM 1150 CA SER A 75 3.425 6.802 -3.858 1.00 0.00 C ATOM 1151 C SER A 75 4.250 7.111 -2.650 1.00 0.00 C ATOM 1152 O SER A 75 4.654 8.246 -2.443 1.00 0.00 O ATOM 1153 CB SER A 75 4.239 7.039 -5.120 1.00 0.00 C ATOM 1154 OG SER A 75 3.497 6.699 -6.277 1.00 0.00 O ATOM 0 H SER A 75 2.329 8.572 -3.617 1.00 0.00 H new ATOM 0 HA SER A 75 3.135 5.752 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.539 8.086 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.153 6.446 -5.083 1.00 0.00 H new ATOM 0 HG SER A 75 4.037 6.877 -7.076 1.00 0.00 H new ATOM 1160 N PHE A 76 4.508 6.097 -1.866 1.00 0.00 N ATOM 1161 CA PHE A 76 5.382 6.242 -0.727 1.00 0.00 C ATOM 1162 C PHE A 76 6.021 4.932 -0.356 1.00 0.00 C ATOM 1163 O PHE A 76 5.476 3.856 -0.596 1.00 0.00 O ATOM 1164 CB PHE A 76 4.655 6.893 0.435 1.00 0.00 C ATOM 1165 CG PHE A 76 4.006 5.927 1.366 1.00 0.00 C ATOM 1166 CD1 PHE A 76 2.833 5.276 1.016 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.605 5.646 2.582 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.264 4.362 1.891 1.00 0.00 C ATOM 1169 CE2 PHE A 76 4.053 4.737 3.455 1.00 0.00 C ATOM 1170 CZ PHE A 76 2.877 4.089 3.110 1.00 0.00 C ATOM 0 H PHE A 76 4.126 5.160 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 76 6.197 6.912 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.363 7.502 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.895 7.568 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.364 5.480 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.522 6.149 2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.344 3.862 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.532 4.530 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.437 3.372 3.787 1.00 0.00 H new ATOM 1180 N GLU A 77 7.191 5.036 0.206 1.00 0.00 N ATOM 1181 CA GLU A 77 7.984 3.887 0.493 1.00 0.00 C ATOM 1182 C GLU A 77 8.391 3.862 1.951 1.00 0.00 C ATOM 1183 O GLU A 77 8.808 4.879 2.509 1.00 0.00 O ATOM 1184 CB GLU A 77 9.217 3.944 -0.376 1.00 0.00 C ATOM 1185 CG GLU A 77 8.944 3.755 -1.870 1.00 0.00 C ATOM 1186 CD GLU A 77 8.064 4.808 -2.520 1.00 0.00 C ATOM 1187 OE1 GLU A 77 8.076 5.962 -2.063 1.00 0.00 O ATOM 1188 OE2 GLU A 77 7.386 4.490 -3.510 1.00 0.00 O ATOM 0 H GLU A 77 7.618 5.922 0.476 1.00 0.00 H new ATOM 0 HA GLU A 77 7.407 2.985 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.708 4.906 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.916 3.175 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.899 3.733 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.478 2.780 -2.014 1.00 0.00 H new ATOM 1195 N TRP A 78 8.251 2.695 2.559 1.00 0.00 N ATOM 1196 CA TRP A 78 8.566 2.510 3.962 1.00 0.00 C ATOM 1197 C TRP A 78 10.067 2.353 4.153 1.00 0.00 C ATOM 1198 O TRP A 78 10.705 1.517 3.511 1.00 0.00 O ATOM 1199 CB TRP A 78 7.801 1.292 4.506 1.00 0.00 C ATOM 1200 CG TRP A 78 8.341 0.711 5.782 1.00 0.00 C ATOM 1201 CD1 TRP A 78 9.308 -0.248 5.894 1.00 0.00 C ATOM 1202 CD2 TRP A 78 7.928 1.020 7.117 1.00 0.00 C ATOM 1203 NE1 TRP A 78 9.532 -0.540 7.216 1.00 0.00 N ATOM 1204 CE2 TRP A 78 8.696 0.222 7.988 1.00 0.00 C ATOM 1205 CE3 TRP A 78 6.989 1.897 7.663 1.00 0.00 C ATOM 1206 CZ2 TRP A 78 8.551 0.277 9.371 1.00 0.00 C ATOM 1207 CZ3 TRP A 78 6.845 1.949 9.038 1.00 0.00 C ATOM 1208 CH2 TRP A 78 7.623 1.144 9.877 1.00 0.00 C ATOM 0 H TRP A 78 7.916 1.852 2.093 1.00 0.00 H new ATOM 0 HA TRP A 78 8.254 3.391 4.523 1.00 0.00 H new ATOM 0 HB2 TRP A 78 6.762 1.579 4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 78 7.801 0.513 3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 78 9.821 -0.709 5.063 1.00 0.00 H new ATOM 0 HE1 TRP A 78 10.211 -1.215 7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 78 6.386 2.524 7.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.150 -0.343 10.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 6.120 2.622 9.471 1.00 0.00 H new ATOM 0 HH2 TRP A 78 7.488 1.209 10.947 1.00 0.00 H new ATOM 1219 N ASP A 79 10.607 3.204 5.013 1.00 0.00 N ATOM 1220 CA ASP A 79 12.027 3.163 5.414 1.00 0.00 C ATOM 1221 C ASP A 79 12.989 3.189 4.225 1.00 0.00 C ATOM 1222 O ASP A 79 12.737 3.843 3.211 1.00 0.00 O ATOM 1223 CB ASP A 79 12.315 1.932 6.288 1.00 0.00 C ATOM 1224 CG ASP A 79 12.285 2.252 7.772 1.00 0.00 C ATOM 1225 OD1 ASP A 79 11.185 2.413 8.333 1.00 0.00 O ATOM 1226 OD2 ASP A 79 13.371 2.336 8.387 1.00 0.00 O ATOM 0 H ASP A 79 10.078 3.952 5.462 1.00 0.00 H new ATOM 0 HA ASP A 79 12.202 4.071 5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.580 1.157 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.292 1.526 6.027 1.00 0.00 H new ATOM 1231 N THR A 80 14.112 2.500 4.389 1.00 0.00 N ATOM 1232 CA THR A 80 15.150 2.422 3.375 1.00 0.00 C ATOM 1233 C THR A 80 14.724 1.430 2.315 1.00 0.00 C ATOM 1234 O THR A 80 14.924 1.615 1.111 1.00 0.00 O ATOM 1235 CB THR A 80 16.479 1.958 4.019 1.00 0.00 C ATOM 1236 OG1 THR A 80 17.480 1.741 3.021 1.00 0.00 O ATOM 1237 CG2 THR A 80 16.269 0.678 4.830 1.00 0.00 C ATOM 0 H THR A 80 14.327 1.976 5.237 1.00 0.00 H new ATOM 0 HA THR A 80 15.299 3.404 2.925 1.00 0.00 H new ATOM 0 HB THR A 80 16.818 2.748 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 80 18.312 1.450 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.215 0.369 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 80 15.541 0.863 5.620 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.901 -0.112 4.175 1.00 0.00 H new ATOM 1245 N GLU A 81 14.111 0.394 2.821 1.00 0.00 N ATOM 1246 CA GLU A 81 13.566 -0.689 2.062 1.00 0.00 C ATOM 1247 C GLU A 81 12.287 -1.072 2.764 1.00 0.00 C ATOM 1248 O GLU A 81 12.208 -1.042 3.992 1.00 0.00 O ATOM 1249 CB GLU A 81 14.547 -1.833 2.012 1.00 0.00 C ATOM 1250 CG GLU A 81 14.824 -2.462 3.354 1.00 0.00 C ATOM 1251 CD GLU A 81 16.310 -2.684 3.594 1.00 0.00 C ATOM 1252 OE1 GLU A 81 17.115 -1.838 3.155 1.00 0.00 O ATOM 1253 OE2 GLU A 81 16.683 -3.703 4.213 1.00 0.00 O ATOM 0 H GLU A 81 13.974 0.281 3.825 1.00 0.00 H new ATOM 0 HA GLU A 81 13.368 -0.414 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.164 -2.597 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 81 15.486 -1.475 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.423 -1.824 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.301 -3.416 3.420 1.00 0.00 H new ATOM 1260 N GLY A 82 11.302 -1.411 2.003 1.00 0.00 N ATOM 1261 CA GLY A 82 9.964 -1.394 2.514 1.00 0.00 C ATOM 1262 C GLY A 82 9.127 -0.566 1.595 1.00 0.00 C ATOM 1263 O GLY A 82 8.130 0.032 1.975 1.00 0.00 O ATOM 0 H GLY A 82 11.392 -1.702 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.569 -2.408 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.947 -0.979 3.522 1.00 0.00 H new ATOM 1267 N TRP A 83 9.532 -0.598 0.349 1.00 0.00 N ATOM 1268 CA TRP A 83 8.943 0.207 -0.684 1.00 0.00 C ATOM 1269 C TRP A 83 7.520 -0.241 -0.868 1.00 0.00 C ATOM 1270 O TRP A 83 7.208 -1.366 -0.577 1.00 0.00 O ATOM 1271 CB TRP A 83 9.743 0.046 -1.979 1.00 0.00 C ATOM 1272 CG TRP A 83 11.193 0.395 -1.788 1.00 0.00 C ATOM 1273 CD1 TRP A 83 11.706 1.288 -0.888 1.00 0.00 C ATOM 1274 CD2 TRP A 83 12.316 -0.156 -2.484 1.00 0.00 C ATOM 1275 NE1 TRP A 83 13.075 1.305 -0.967 1.00 0.00 N ATOM 1276 CE2 TRP A 83 13.476 0.433 -1.944 1.00 0.00 C ATOM 1277 CE3 TRP A 83 12.459 -1.093 -3.507 1.00 0.00 C ATOM 1278 CZ2 TRP A 83 14.755 0.107 -2.389 1.00 0.00 C ATOM 1279 CZ3 TRP A 83 13.726 -1.414 -3.949 1.00 0.00 C ATOM 1280 CH2 TRP A 83 14.860 -0.818 -3.388 1.00 0.00 C ATOM 0 H TRP A 83 10.292 -1.195 0.023 1.00 0.00 H new ATOM 0 HA TRP A 83 8.958 1.262 -0.411 1.00 0.00 H new ATOM 0 HB2 TRP A 83 9.660 -0.982 -2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.315 0.684 -2.752 1.00 0.00 H new ATOM 0 HD1 TRP A 83 11.118 1.892 -0.213 1.00 0.00 H new ATOM 0 HE1 TRP A 83 13.695 1.875 -0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.591 -1.561 -3.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.632 0.569 -1.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.844 -2.138 -4.742 1.00 0.00 H new ATOM 0 HH2 TRP A 83 15.838 -1.095 -3.752 1.00 0.00 H new ATOM 1291 N VAL A 84 6.620 0.653 -1.154 1.00 0.00 N ATOM 1292 CA VAL A 84 5.284 0.214 -1.485 1.00 0.00 C ATOM 1293 C VAL A 84 4.891 0.824 -2.803 1.00 0.00 C ATOM 1294 O VAL A 84 4.220 0.204 -3.628 1.00 0.00 O ATOM 1295 CB VAL A 84 4.230 0.505 -0.383 1.00 0.00 C ATOM 1296 CG1 VAL A 84 4.878 0.633 0.988 1.00 0.00 C ATOM 1297 CG2 VAL A 84 3.378 1.731 -0.697 1.00 0.00 C ATOM 0 H VAL A 84 6.772 1.662 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 84 5.303 -0.873 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 84 3.560 -0.354 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.111 0.837 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.389 -0.297 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.598 1.451 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.658 1.889 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.020 2.607 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.846 1.574 -1.636 1.00 0.00 H new ATOM 1307 N VAL A 85 5.403 2.012 -3.008 1.00 0.00 N ATOM 1308 CA VAL A 85 5.305 2.703 -4.249 1.00 0.00 C ATOM 1309 C VAL A 85 3.889 3.243 -4.470 1.00 0.00 C ATOM 1310 O VAL A 85 3.491 4.117 -3.716 1.00 0.00 O ATOM 1311 CB VAL A 85 5.922 1.851 -5.386 1.00 0.00 C ATOM 1312 CG1 VAL A 85 5.632 2.383 -6.770 1.00 0.00 C ATOM 1313 CG2 VAL A 85 7.426 1.795 -5.183 1.00 0.00 C ATOM 0 H VAL A 85 5.911 2.530 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 85 5.912 3.609 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 85 5.465 0.863 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.096 1.735 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.554 2.408 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.036 3.391 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.878 1.198 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.835 2.805 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.646 1.341 -4.217 1.00 0.00 H new ATOM 1323 N THR A 86 3.072 2.725 -5.372 1.00 0.00 N ATOM 1324 CA THR A 86 1.978 3.563 -5.843 1.00 0.00 C ATOM 1325 C THR A 86 0.568 2.991 -5.627 1.00 0.00 C ATOM 1326 O THR A 86 0.288 1.838 -5.890 1.00 0.00 O ATOM 1327 CB THR A 86 2.163 3.904 -7.337 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.501 4.351 -7.577 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.195 4.993 -7.773 1.00 0.00 C ATOM 0 H THR A 86 3.133 1.789 -5.773 1.00 0.00 H new ATOM 0 HA THR A 86 2.035 4.457 -5.223 1.00 0.00 H new ATOM 0 HB THR A 86 1.963 3.000 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.727 5.063 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.347 5.213 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.171 4.653 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.372 5.894 -7.185 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.330 3.842 -5.167 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.748 3.545 -5.173 1.00 0.00 C ATOM 1339 C PHE A 87 -2.406 4.443 -6.205 1.00 0.00 C ATOM 1340 O PHE A 87 -2.142 5.640 -6.239 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.378 3.792 -3.788 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.789 2.940 -2.694 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.199 1.725 -2.993 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.823 3.353 -1.369 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.649 0.937 -2.005 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.275 2.565 -0.375 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.686 1.354 -0.700 1.00 0.00 C ATOM 0 H PHE A 87 -0.097 4.756 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.898 2.494 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.254 4.842 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.450 3.602 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.169 1.388 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.281 4.297 -1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.190 -0.007 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.306 2.893 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.256 0.738 0.076 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.233 3.877 -7.059 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.915 4.669 -8.064 1.00 0.00 C ATOM 1359 C GLN A 88 -5.417 4.538 -7.918 1.00 0.00 C ATOM 1360 O GLN A 88 -5.969 3.442 -7.848 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.439 4.290 -9.467 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.259 5.120 -9.920 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.910 4.911 -11.379 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -2.188 3.723 -11.891 1.00 0.00 O flip ATOM 1365 NE2 GLN A 88 -1.395 5.814 -12.041 1.00 0.00 N flip ATOM 0 H GLN A 88 -3.449 2.880 -7.079 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.665 5.719 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.165 3.235 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.260 4.416 -10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.479 6.174 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.392 4.874 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.197 6.716 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.167 5.660 -13.023 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.061 5.675 -7.853 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.455 5.747 -7.466 1.00 0.00 C ATOM 1376 C LEU A 89 -8.309 6.387 -8.556 1.00 0.00 C ATOM 1377 O LEU A 89 -7.861 7.300 -9.247 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.567 6.489 -6.140 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.769 6.118 -5.279 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -8.468 6.416 -3.827 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -10.003 6.885 -5.713 1.00 0.00 C ATOM 0 H LEU A 89 -5.638 6.579 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.843 4.737 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.660 6.307 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.605 7.559 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.965 5.053 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.330 6.150 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.603 5.835 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.255 7.479 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.847 6.603 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.819 7.955 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.231 6.649 -6.753 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.527 5.887 -8.721 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.459 6.444 -9.692 1.00 0.00 C ATOM 1395 C GLU A 90 -11.608 7.142 -8.995 1.00 0.00 C ATOM 1396 O GLU A 90 -12.285 6.551 -8.143 1.00 0.00 O ATOM 1397 CB GLU A 90 -11.054 5.352 -10.571 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.260 5.818 -11.371 1.00 0.00 C ATOM 1399 CD GLU A 90 -11.865 6.718 -12.518 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -11.606 7.916 -12.288 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -11.777 6.218 -13.655 1.00 0.00 O ATOM 0 H GLU A 90 -9.893 5.095 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.895 7.151 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.289 4.990 -11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.345 4.509 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.795 4.951 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.948 6.350 -10.713 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.865 8.362 -9.448 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.890 9.217 -8.859 1.00 0.00 C ATOM 1410 C ASP A 91 -14.154 9.055 -9.626 1.00 0.00 C ATOM 1411 O ASP A 91 -14.267 9.489 -10.774 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.524 10.703 -8.909 1.00 0.00 C ATOM 1413 CG ASP A 91 -13.618 11.626 -8.389 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.539 11.960 -9.164 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.541 12.062 -7.232 1.00 0.00 O ATOM 0 H ASP A 91 -11.371 8.787 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.990 8.915 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.618 10.864 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.291 10.975 -9.938 1.00 0.00 H new ATOM 1420 N LEU A 92 -15.089 8.425 -9.006 1.00 0.00 N ATOM 1421 CA LEU A 92 -16.417 8.414 -9.492 1.00 0.00 C ATOM 1422 C LEU A 92 -17.308 8.962 -8.394 1.00 0.00 C ATOM 1423 O LEU A 92 -17.139 8.617 -7.228 1.00 0.00 O ATOM 1424 CB LEU A 92 -16.809 6.985 -9.861 1.00 0.00 C ATOM 1425 CG LEU A 92 -16.100 6.333 -11.056 1.00 0.00 C ATOM 1426 CD1 LEU A 92 -16.887 5.134 -11.554 1.00 0.00 C ATOM 1427 CD2 LEU A 92 -15.882 7.324 -12.187 1.00 0.00 C ATOM 0 H LEU A 92 -14.950 7.901 -8.142 1.00 0.00 H new ATOM 0 HA LEU A 92 -16.520 9.028 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.640 6.355 -8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.881 6.973 -10.060 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.122 5.997 -10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.369 4.685 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.977 4.400 -10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.881 5.455 -11.865 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.378 6.826 -13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.845 7.707 -12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.267 8.151 -11.832 1.00 0.00 H new ATOM 1439 N GLY A 93 -18.168 9.902 -8.756 1.00 0.00 N ATOM 1440 CA GLY A 93 -19.343 10.207 -7.919 1.00 0.00 C ATOM 1441 C GLY A 93 -20.117 8.921 -7.679 1.00 0.00 C ATOM 1442 O GLY A 93 -20.858 8.755 -6.709 1.00 0.00 O ATOM 0 H GLY A 93 -18.088 10.463 -9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -19.029 10.641 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -19.977 10.944 -8.412 1.00 0.00 H new ATOM 1446 N GLU A 94 -19.936 8.063 -8.655 1.00 0.00 N ATOM 1447 CA GLU A 94 -20.038 6.616 -8.573 1.00 0.00 C ATOM 1448 C GLU A 94 -19.113 6.092 -7.474 1.00 0.00 C ATOM 1449 O GLU A 94 -18.781 6.783 -6.516 1.00 0.00 O ATOM 1450 CB GLU A 94 -19.667 5.968 -9.898 1.00 0.00 C ATOM 1451 CG GLU A 94 -20.369 4.649 -10.148 1.00 0.00 C ATOM 1452 CD GLU A 94 -21.868 4.764 -10.005 1.00 0.00 C ATOM 1453 OE1 GLU A 94 -22.498 5.410 -10.858 1.00 0.00 O ATOM 1454 OE2 GLU A 94 -22.422 4.219 -9.031 1.00 0.00 O ATOM 0 H GLU A 94 -19.696 8.375 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 94 -21.071 6.361 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.906 6.656 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -18.589 5.807 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.128 4.295 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.995 3.902 -9.448 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.780 4.837 -7.577 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.962 4.178 -6.608 1.00 0.00 C ATOM 1463 C LYS A 95 -16.555 4.114 -7.194 1.00 0.00 C ATOM 1464 O LYS A 95 -16.332 4.598 -8.298 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.513 2.771 -6.387 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.725 1.999 -7.687 1.00 0.00 C ATOM 1467 CD LYS A 95 -17.478 1.252 -8.127 1.00 0.00 C ATOM 1468 CE LYS A 95 -16.830 1.893 -9.350 1.00 0.00 C ATOM 1469 NZ LYS A 95 -17.563 1.591 -10.611 1.00 0.00 N ATOM 0 H LYS A 95 -19.075 4.238 -8.348 1.00 0.00 H new ATOM 0 HA LYS A 95 -17.951 4.701 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.826 2.215 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.461 2.838 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.543 1.290 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -19.026 2.692 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.761 1.229 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.736 0.218 -8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.786 2.973 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.802 1.541 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.082 2.050 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.583 0.562 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.537 1.950 -10.541 1.00 0.00 H new ATOM 1483 N THR A 96 -15.606 3.535 -6.501 1.00 0.00 N ATOM 1484 CA THR A 96 -14.224 3.891 -6.702 1.00 0.00 C ATOM 1485 C THR A 96 -13.486 2.802 -7.441 1.00 0.00 C ATOM 1486 O THR A 96 -13.581 1.629 -7.111 1.00 0.00 O ATOM 1487 CB THR A 96 -13.554 4.096 -5.330 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.496 3.822 -4.302 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.049 5.514 -5.168 1.00 0.00 C ATOM 0 H THR A 96 -15.765 2.817 -5.794 1.00 0.00 H new ATOM 0 HA THR A 96 -14.186 4.806 -7.293 1.00 0.00 H new ATOM 0 HB THR A 96 -12.704 3.417 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.277 4.405 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.582 5.624 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.317 5.731 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.884 6.209 -5.252 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.763 3.195 -8.462 1.00 0.00 N ATOM 1498 CA GLY A 97 -12.016 2.215 -9.212 1.00 0.00 C ATOM 1499 C GLY A 97 -10.591 2.191 -8.743 1.00 0.00 C ATOM 1500 O GLY A 97 -9.869 3.169 -8.911 1.00 0.00 O ATOM 0 H GLY A 97 -12.676 4.158 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.465 1.230 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.054 2.452 -10.275 1.00 0.00 H new ATOM 1504 N PHE A 98 -10.161 1.103 -8.138 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.846 1.109 -7.551 1.00 0.00 C ATOM 1506 C PHE A 98 -7.867 0.317 -8.383 1.00 0.00 C ATOM 1507 O PHE A 98 -8.111 -0.838 -8.743 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.837 0.576 -6.125 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.625 1.048 -5.371 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.597 2.325 -4.823 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.511 0.239 -5.226 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.485 2.780 -4.144 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.395 0.694 -4.549 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.382 1.963 -4.007 1.00 0.00 C ATOM 0 H PHE A 98 -10.685 0.233 -8.043 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.538 2.154 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.739 0.902 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.855 -0.514 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.457 2.970 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.514 -0.756 -5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.478 3.774 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.531 0.055 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.510 2.316 -3.477 1.00 0.00 H new ATOM 1524 N THR A 99 -6.760 0.951 -8.673 1.00 0.00 N ATOM 1525 CA THR A 99 -5.660 0.298 -9.327 1.00 0.00 C ATOM 1526 C THR A 99 -4.462 0.437 -8.431 1.00 0.00 C ATOM 1527 O THR A 99 -3.984 1.540 -8.201 1.00 0.00 O ATOM 1528 CB THR A 99 -5.348 0.933 -10.697 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.544 1.023 -11.484 1.00 0.00 O ATOM 1530 CG2 THR A 99 -4.312 0.110 -11.441 1.00 0.00 C ATOM 0 H THR A 99 -6.598 1.935 -8.461 1.00 0.00 H new ATOM 0 HA THR A 99 -5.915 -0.747 -9.505 1.00 0.00 H new ATOM 0 HB THR A 99 -4.951 1.934 -10.528 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.335 1.429 -12.351 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.104 0.573 -12.406 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.394 0.065 -10.855 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.693 -0.899 -11.597 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.961 -0.647 -7.912 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.857 -0.528 -7.017 1.00 0.00 C ATOM 1540 C LEU A 100 -1.582 -0.961 -7.683 1.00 0.00 C ATOM 1541 O LEU A 100 -1.537 -1.969 -8.378 1.00 0.00 O ATOM 1542 CB LEU A 100 -3.094 -1.313 -5.736 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.192 -0.887 -4.594 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.853 -1.149 -3.270 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.858 -1.586 -4.668 1.00 0.00 C ATOM 0 H LEU A 100 -4.291 -1.596 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.761 0.523 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.134 -1.193 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.940 -2.374 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.017 0.185 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.189 -0.836 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.785 -0.587 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.065 -2.214 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.231 -1.262 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.008 -2.664 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.369 -1.338 -5.610 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.553 -0.179 -7.466 1.00 0.00 N ATOM 1558 CA ILE A 101 0.750 -0.496 -7.968 1.00 0.00 C ATOM 1559 C ILE A 101 1.624 -0.854 -6.805 1.00 0.00 C ATOM 1560 O ILE A 101 1.854 -0.047 -5.910 1.00 0.00 O ATOM 1561 CB ILE A 101 1.439 0.709 -8.628 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.527 1.412 -9.665 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.777 0.266 -9.242 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.583 2.245 -9.063 1.00 0.00 C ATOM 0 H ILE A 101 -0.601 0.692 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 101 0.623 -1.297 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 101 1.640 1.454 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.143 2.052 -10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.085 0.655 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.264 1.122 -9.709 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.421 -0.135 -8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.596 -0.503 -9.993 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.170 2.699 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.227 1.609 -8.455 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.153 3.028 -8.438 1.00 0.00 H new ATOM 1576 N HIS A 102 2.163 -2.013 -6.797 1.00 0.00 N ATOM 1577 CA HIS A 102 3.143 -2.263 -5.816 1.00 0.00 C ATOM 1578 C HIS A 102 4.436 -2.591 -6.474 1.00 0.00 C ATOM 1579 O HIS A 102 4.607 -3.638 -7.089 1.00 0.00 O ATOM 1580 CB HIS A 102 2.694 -3.366 -4.857 1.00 0.00 C ATOM 1581 CG HIS A 102 2.624 -2.893 -3.445 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.107 -3.623 -2.372 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.127 -1.735 -2.928 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.917 -2.932 -1.260 1.00 0.00 C ATOM 1585 NE2 HIS A 102 2.328 -1.786 -1.569 1.00 0.00 N ATOM 0 H HIS A 102 1.952 -2.780 -7.435 1.00 0.00 H new ATOM 0 HA HIS A 102 3.284 -1.365 -5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.715 -3.735 -5.163 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.386 -4.206 -4.923 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.540 -4.545 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.664 -0.931 -3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 102 3.196 -3.249 -0.266 1.00 0.00 H new ATOM 1594 N SER A 103 5.333 -1.661 -6.352 1.00 0.00 N ATOM 1595 CA SER A 103 6.685 -2.008 -6.249 1.00 0.00 C ATOM 1596 C SER A 103 6.837 -1.903 -4.766 1.00 0.00 C ATOM 1597 O SER A 103 6.513 -0.870 -4.191 1.00 0.00 O ATOM 1598 CB SER A 103 7.565 -1.018 -6.982 1.00 0.00 C ATOM 1599 OG SER A 103 8.807 -1.576 -7.365 1.00 0.00 O ATOM 0 H SER A 103 5.136 -0.661 -6.323 1.00 0.00 H new ATOM 0 HA SER A 103 6.965 -2.970 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.042 -0.660 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.741 -0.152 -6.344 1.00 0.00 H new ATOM 0 HG SER A 103 8.704 -2.541 -7.499 1.00 0.00 H new ATOM 1605 N GLY A 104 7.245 -2.925 -4.119 1.00 0.00 N ATOM 1606 CA GLY A 104 6.927 -2.933 -2.714 1.00 0.00 C ATOM 1607 C GLY A 104 7.483 -4.037 -1.860 1.00 0.00 C ATOM 1608 O GLY A 104 8.053 -5.002 -2.338 1.00 0.00 O ATOM 0 H GLY A 104 7.764 -3.722 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.264 -1.986 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.841 -2.956 -2.620 1.00 0.00 H new ATOM 1612 N TRP A 105 7.235 -3.846 -0.571 1.00 0.00 N ATOM 1613 CA TRP A 105 7.608 -4.738 0.510 1.00 0.00 C ATOM 1614 C TRP A 105 6.360 -5.365 1.132 1.00 0.00 C ATOM 1615 O TRP A 105 5.259 -4.819 1.025 1.00 0.00 O ATOM 1616 CB TRP A 105 8.383 -3.890 1.535 1.00 0.00 C ATOM 1617 CG TRP A 105 8.261 -4.271 2.989 1.00 0.00 C ATOM 1618 CD1 TRP A 105 7.175 -4.092 3.804 1.00 0.00 C ATOM 1619 CD2 TRP A 105 9.292 -4.818 3.820 1.00 0.00 C ATOM 1620 NE1 TRP A 105 7.457 -4.539 5.070 1.00 0.00 N ATOM 1621 CE2 TRP A 105 8.748 -4.982 5.108 1.00 0.00 C ATOM 1622 CE3 TRP A 105 10.618 -5.199 3.598 1.00 0.00 C ATOM 1623 CZ2 TRP A 105 9.481 -5.506 6.165 1.00 0.00 C ATOM 1624 CZ3 TRP A 105 11.346 -5.718 4.653 1.00 0.00 C ATOM 1625 CH2 TRP A 105 10.775 -5.867 5.922 1.00 0.00 C ATOM 0 H TRP A 105 6.741 -3.018 -0.237 1.00 0.00 H new ATOM 0 HA TRP A 105 8.228 -5.560 0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 105 9.439 -3.921 1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.057 -2.855 1.430 1.00 0.00 H new ATOM 0 HD1 TRP A 105 6.234 -3.662 3.495 1.00 0.00 H new ATOM 0 HE1 TRP A 105 6.807 -4.540 5.856 1.00 0.00 H new ATOM 0 HE3 TRP A 105 11.066 -5.090 2.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.043 -5.624 7.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 12.373 -6.013 4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 105 11.370 -6.276 6.725 1.00 0.00 H new ATOM 1636 N LYS A 106 6.539 -6.526 1.749 1.00 0.00 N ATOM 1637 CA LYS A 106 5.487 -7.156 2.525 1.00 0.00 C ATOM 1638 C LYS A 106 6.002 -7.398 3.936 1.00 0.00 C ATOM 1639 O LYS A 106 5.499 -6.795 4.884 1.00 0.00 O ATOM 1640 CB LYS A 106 5.029 -8.465 1.878 1.00 0.00 C ATOM 1641 CG LYS A 106 3.905 -9.158 2.631 1.00 0.00 C ATOM 1642 CD LYS A 106 2.689 -8.255 2.762 1.00 0.00 C ATOM 1643 CE LYS A 106 1.599 -8.905 3.596 1.00 0.00 C ATOM 1644 NZ LYS A 106 0.467 -7.976 3.858 1.00 0.00 N ATOM 0 H LYS A 106 7.413 -7.052 1.724 1.00 0.00 H new ATOM 0 HA LYS A 106 4.619 -6.497 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.700 -8.261 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.880 -9.143 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.626 -10.074 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.253 -9.448 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.984 -7.310 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.300 -8.022 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.229 -9.791 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.020 -9.240 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.254 -8.460 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.815 -7.142 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.048 -7.676 2.955 1.00 0.00 H new ATOM 1658 N GLU A 107 7.014 -8.270 4.055 1.00 0.00 N ATOM 1659 CA GLU A 107 7.742 -8.457 5.314 1.00 0.00 C ATOM 1660 C GLU A 107 8.720 -9.640 5.251 1.00 0.00 C ATOM 1661 O GLU A 107 9.930 -9.439 5.316 1.00 0.00 O ATOM 1662 CB GLU A 107 6.795 -8.650 6.505 1.00 0.00 C ATOM 1663 CG GLU A 107 7.488 -8.512 7.848 1.00 0.00 C ATOM 1664 CD GLU A 107 6.560 -8.761 9.014 1.00 0.00 C ATOM 1665 OE1 GLU A 107 5.570 -8.011 9.163 1.00 0.00 O ATOM 1666 OE2 GLU A 107 6.825 -9.701 9.795 1.00 0.00 O ATOM 0 H GLU A 107 7.346 -8.858 3.290 1.00 0.00 H new ATOM 0 HA GLU A 107 8.312 -7.540 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.989 -7.919 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.336 -9.637 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.321 -9.214 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.910 -7.511 7.933 1.00 0.00 H new ATOM 1673 N PRO A 108 8.218 -10.887 5.101 1.00 0.00 N ATOM 1674 CA PRO A 108 9.002 -12.100 5.389 1.00 0.00 C ATOM 1675 C PRO A 108 10.091 -12.434 4.367 1.00 0.00 C ATOM 1676 O PRO A 108 9.892 -12.312 3.153 1.00 0.00 O ATOM 1677 CB PRO A 108 7.948 -13.222 5.402 1.00 0.00 C ATOM 1678 CG PRO A 108 6.621 -12.540 5.326 1.00 0.00 C ATOM 1679 CD PRO A 108 6.872 -11.238 4.633 1.00 0.00 C ATOM 0 HA PRO A 108 9.552 -11.966 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.088 -13.899 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.027 -13.822 6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.901 -13.145 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.206 -12.380 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.833 -11.341 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.136 -10.483 4.908 1.00 0.00 H new ATOM 1687 N ASN A 109 11.240 -12.862 4.906 1.00 0.00 N ATOM 1688 CA ASN A 109 12.324 -13.503 4.142 1.00 0.00 C ATOM 1689 C ASN A 109 13.058 -12.537 3.217 1.00 0.00 C ATOM 1690 O ASN A 109 12.977 -11.319 3.392 1.00 0.00 O ATOM 1691 CB ASN A 109 11.788 -14.697 3.353 1.00 0.00 C ATOM 1692 CG ASN A 109 11.170 -15.750 4.254 1.00 0.00 C ATOM 1693 OD1 ASN A 109 11.573 -15.915 5.406 1.00 0.00 O ATOM 1694 ND2 ASN A 109 10.182 -16.460 3.739 1.00 0.00 N ATOM 0 H ASN A 109 11.448 -12.772 5.901 1.00 0.00 H new ATOM 0 HA ASN A 109 13.056 -13.850 4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.043 -14.352 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.599 -15.144 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.722 -17.177 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.879 -16.291 2.780 1.00 0.00 H new ATOM 1701 N GLN A 110 13.813 -13.091 2.257 1.00 0.00 N ATOM 1702 CA GLN A 110 14.597 -12.278 1.331 1.00 0.00 C ATOM 1703 C GLN A 110 13.674 -11.324 0.587 1.00 0.00 C ATOM 1704 O GLN A 110 12.706 -11.734 -0.045 1.00 0.00 O ATOM 1705 CB GLN A 110 15.347 -13.182 0.348 1.00 0.00 C ATOM 1706 CG GLN A 110 14.442 -13.885 -0.648 1.00 0.00 C ATOM 1707 CD GLN A 110 14.842 -15.327 -0.902 1.00 0.00 C ATOM 1708 OE1 GLN A 110 14.614 -15.866 -1.985 1.00 0.00 O ATOM 1709 NE2 GLN A 110 15.435 -15.967 0.095 1.00 0.00 N ATOM 0 H GLN A 110 13.894 -14.097 2.106 1.00 0.00 H new ATOM 0 HA GLN A 110 15.330 -11.695 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.077 -12.584 -0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.905 -13.931 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.416 -13.858 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.456 -13.339 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.607 -15.487 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.719 -16.940 -0.021 1.00 0.00 H new ATOM 1718 N VAL A 111 13.936 -10.050 0.747 1.00 0.00 N ATOM 1719 CA VAL A 111 13.062 -9.036 0.262 1.00 0.00 C ATOM 1720 C VAL A 111 13.793 -7.709 0.092 1.00 0.00 C ATOM 1721 O VAL A 111 15.011 -7.683 0.151 1.00 0.00 O ATOM 1722 CB VAL A 111 11.827 -8.914 1.130 1.00 0.00 C ATOM 1723 CG1 VAL A 111 12.071 -8.086 2.381 1.00 0.00 C ATOM 1724 CG2 VAL A 111 10.751 -8.368 0.272 1.00 0.00 C ATOM 0 H VAL A 111 14.767 -9.696 1.221 1.00 0.00 H new ATOM 0 HA VAL A 111 12.719 -9.331 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 111 11.535 -9.890 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.153 -8.031 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.855 -8.552 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.381 -7.080 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.837 -8.262 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.051 -7.393 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 111 10.571 -9.046 -0.562 1.00 0.00 H new ATOM 1734 N ILE A 112 13.028 -6.626 -0.130 1.00 0.00 N ATOM 1735 CA ILE A 112 13.546 -5.247 -0.084 1.00 0.00 C ATOM 1736 C ILE A 112 14.439 -5.072 1.125 1.00 0.00 C ATOM 1737 O ILE A 112 15.404 -4.324 1.061 1.00 0.00 O ATOM 1738 CB ILE A 112 12.423 -4.222 0.111 1.00 0.00 C ATOM 1739 CG1 ILE A 112 11.124 -4.982 0.111 1.00 0.00 C ATOM 1740 CG2 ILE A 112 12.431 -3.094 -0.935 1.00 0.00 C ATOM 1741 CD1 ILE A 112 10.636 -5.373 -1.257 1.00 0.00 C ATOM 0 H ILE A 112 12.033 -6.682 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 112 14.067 -5.087 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 112 12.570 -3.705 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.244 -5.883 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.361 -4.374 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.609 -2.406 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.377 -2.555 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.313 -3.521 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.695 -5.916 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.481 -4.477 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.378 -6.010 -1.740 1.00 0.00 H new ATOM 1753 N GLY A 113 14.096 -5.746 2.223 1.00 0.00 N ATOM 1754 CA GLY A 113 15.041 -5.924 3.305 1.00 0.00 C ATOM 1755 C GLY A 113 16.302 -6.553 2.764 1.00 0.00 C ATOM 1756 O GLY A 113 16.431 -7.780 2.737 1.00 0.00 O ATOM 0 H GLY A 113 13.181 -6.170 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 113 15.269 -4.963 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.609 -6.556 4.081 1.00 0.00 H new ATOM 1760 N LYS A 114 17.221 -5.691 2.332 1.00 0.00 N ATOM 1761 CA LYS A 114 18.314 -6.077 1.455 1.00 0.00 C ATOM 1762 C LYS A 114 17.720 -6.578 0.131 1.00 0.00 C ATOM 1763 O LYS A 114 17.925 -7.724 -0.271 1.00 0.00 O ATOM 1764 CB LYS A 114 19.238 -7.117 2.118 1.00 0.00 C ATOM 1765 CG LYS A 114 19.916 -6.602 3.387 1.00 0.00 C ATOM 1766 CD LYS A 114 18.988 -6.666 4.595 1.00 0.00 C ATOM 1767 CE LYS A 114 19.346 -5.630 5.652 1.00 0.00 C ATOM 1768 NZ LYS A 114 19.097 -4.239 5.179 1.00 0.00 N ATOM 0 H LYS A 114 17.224 -4.703 2.584 1.00 0.00 H new ATOM 0 HA LYS A 114 18.947 -5.213 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 114 18.657 -8.007 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 114 20.003 -7.421 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 114 20.811 -7.192 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 114 20.240 -5.573 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 114 17.960 -6.510 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 114 19.035 -7.662 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 114 18.763 -5.816 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 114 20.396 -5.738 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 18.905 -3.624 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 19.935 -3.890 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 18.277 -4.231 4.539 1.00 0.00 H new ATOM 1782 N ALA A 115 16.980 -5.665 -0.537 1.00 0.00 N ATOM 1783 CA ALA A 115 16.189 -5.954 -1.741 1.00 0.00 C ATOM 1784 C ALA A 115 16.969 -6.605 -2.884 1.00 0.00 C ATOM 1785 O ALA A 115 16.361 -7.045 -3.862 1.00 0.00 O ATOM 1786 CB ALA A 115 15.484 -4.686 -2.214 1.00 0.00 C ATOM 0 H ALA A 115 16.919 -4.690 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 115 15.457 -6.705 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 115 14.899 -4.906 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.823 -4.323 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 115 16.226 -3.922 -2.446 1.00 0.00 H new ATOM 1792 N ASN A 116 18.292 -6.656 -2.787 1.00 0.00 N ATOM 1793 CA ASN A 116 19.088 -7.383 -3.775 1.00 0.00 C ATOM 1794 C ASN A 116 18.751 -8.885 -3.753 1.00 0.00 C ATOM 1795 O ASN A 116 19.033 -9.606 -4.715 1.00 0.00 O ATOM 1796 CB ASN A 116 20.588 -7.172 -3.547 1.00 0.00 C ATOM 1797 CG ASN A 116 21.012 -5.724 -3.734 1.00 0.00 C ATOM 1798 OD1 ASN A 116 21.218 -5.264 -4.859 1.00 0.00 O ATOM 1799 ND2 ASN A 116 21.191 -5.007 -2.632 1.00 0.00 N ATOM 0 H ASN A 116 18.833 -6.210 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 116 18.835 -6.984 -4.757 1.00 0.00 H new ATOM 0 HB2 ASN A 116 20.847 -7.495 -2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 116 21.148 -7.802 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 116 21.510 -4.040 -2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 116 21.010 -5.422 -1.718 1.00 0.00 H new ATOM 1806 N GLU A 117 18.150 -9.351 -2.654 1.00 0.00 N ATOM 1807 CA GLU A 117 17.610 -10.709 -2.585 1.00 0.00 C ATOM 1808 C GLU A 117 16.251 -10.763 -3.285 1.00 0.00 C ATOM 1809 O GLU A 117 16.028 -10.003 -4.228 1.00 0.00 O ATOM 1810 CB GLU A 117 17.503 -11.175 -1.135 1.00 0.00 C ATOM 1811 CG GLU A 117 18.723 -11.947 -0.666 1.00 0.00 C ATOM 1812 CD GLU A 117 18.961 -13.192 -1.499 1.00 0.00 C ATOM 1813 OE1 GLU A 117 18.236 -14.191 -1.310 1.00 0.00 O ATOM 1814 OE2 GLU A 117 19.869 -13.177 -2.356 1.00 0.00 O ATOM 0 H GLU A 117 18.026 -8.806 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 117 18.291 -11.388 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 117 17.359 -10.308 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 117 16.619 -11.803 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 117 19.601 -11.303 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 117 18.594 -12.229 0.379 1.00 0.00 H new ATOM 1821 N LYS A 118 15.323 -11.638 -2.874 1.00 0.00 N ATOM 1822 CA LYS A 118 14.077 -11.687 -3.622 1.00 0.00 C ATOM 1823 C LYS A 118 13.109 -10.611 -3.236 1.00 0.00 C ATOM 1824 O LYS A 118 12.231 -10.743 -2.399 1.00 0.00 O ATOM 1825 CB LYS A 118 13.375 -13.008 -3.575 1.00 0.00 C ATOM 1826 CG LYS A 118 13.963 -14.019 -4.519 1.00 0.00 C ATOM 1827 CD LYS A 118 14.501 -13.325 -5.753 1.00 0.00 C ATOM 1828 CE LYS A 118 15.436 -14.207 -6.565 1.00 0.00 C ATOM 1829 NZ LYS A 118 16.782 -14.315 -5.943 1.00 0.00 N ATOM 0 H LYS A 118 15.405 -12.277 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 118 14.407 -11.520 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.418 -13.400 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 118 12.322 -12.863 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.763 -14.569 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.204 -14.748 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 118 13.667 -13.013 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.031 -12.421 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.001 -15.202 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 118 15.534 -13.801 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 17.392 -14.911 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.202 -13.367 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.695 -14.742 -4.999 1.00 0.00 H new ATOM 1843 N SER A 119 13.276 -9.574 -3.949 1.00 0.00 N ATOM 1844 CA SER A 119 12.268 -8.601 -4.221 1.00 0.00 C ATOM 1845 C SER A 119 11.196 -9.231 -5.122 1.00 0.00 C ATOM 1846 O SER A 119 10.051 -8.823 -5.147 1.00 0.00 O ATOM 1847 CB SER A 119 12.948 -7.403 -4.855 1.00 0.00 C ATOM 1848 OG SER A 119 14.155 -7.807 -5.486 1.00 0.00 O ATOM 0 H SER A 119 14.168 -9.355 -4.392 1.00 0.00 H new ATOM 0 HA SER A 119 11.761 -8.265 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.283 -6.941 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.159 -6.650 -4.095 1.00 0.00 H new ATOM 0 HG SER A 119 14.910 -7.647 -4.882 1.00 0.00 H new ATOM 1854 N SER A 120 11.593 -10.185 -5.935 1.00 0.00 N ATOM 1855 CA SER A 120 10.627 -10.888 -6.760 1.00 0.00 C ATOM 1856 C SER A 120 9.590 -11.632 -5.893 1.00 0.00 C ATOM 1857 O SER A 120 8.412 -11.702 -6.253 1.00 0.00 O ATOM 1858 CB SER A 120 11.336 -11.861 -7.704 1.00 0.00 C ATOM 1859 OG SER A 120 10.439 -12.388 -8.665 1.00 0.00 O ATOM 0 H SER A 120 12.560 -10.490 -6.044 1.00 0.00 H new ATOM 0 HA SER A 120 10.094 -10.149 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.155 -11.350 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 120 11.776 -12.675 -7.128 1.00 0.00 H new ATOM 0 HG SER A 120 10.918 -13.005 -9.256 1.00 0.00 H new ATOM 1865 N VAL A 121 10.002 -12.156 -4.728 1.00 0.00 N ATOM 1866 CA VAL A 121 9.073 -12.944 -3.912 1.00 0.00 C ATOM 1867 C VAL A 121 8.059 -12.026 -3.267 1.00 0.00 C ATOM 1868 O VAL A 121 6.896 -12.379 -3.130 1.00 0.00 O ATOM 1869 CB VAL A 121 9.745 -13.840 -2.841 1.00 0.00 C ATOM 1870 CG1 VAL A 121 10.719 -14.825 -3.474 1.00 0.00 C ATOM 1871 CG2 VAL A 121 10.416 -13.012 -1.761 1.00 0.00 C ATOM 0 H VAL A 121 10.940 -12.053 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 121 8.587 -13.637 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 121 8.957 -14.420 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.173 -15.438 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.184 -15.466 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.498 -14.277 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.876 -13.674 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.182 -12.380 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.672 -12.386 -1.268 1.00 0.00 H new ATOM 1881 N VAL A 122 8.516 -10.841 -2.872 1.00 0.00 N ATOM 1882 CA VAL A 122 7.629 -9.830 -2.316 1.00 0.00 C ATOM 1883 C VAL A 122 6.566 -9.431 -3.335 1.00 0.00 C ATOM 1884 O VAL A 122 5.417 -9.183 -2.977 1.00 0.00 O ATOM 1885 CB VAL A 122 8.400 -8.591 -1.837 1.00 0.00 C ATOM 1886 CG1 VAL A 122 8.920 -7.796 -2.984 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.565 -7.709 -0.946 1.00 0.00 C ATOM 0 H VAL A 122 9.495 -10.560 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 122 7.141 -10.270 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 122 9.242 -8.963 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.460 -6.927 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.594 -8.413 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.087 -7.466 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.154 -6.847 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.685 -7.369 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.251 -8.272 -0.067 1.00 0.00 H new ATOM 1897 N ARG A 123 6.952 -9.389 -4.606 1.00 0.00 N ATOM 1898 CA ARG A 123 5.997 -9.140 -5.678 1.00 0.00 C ATOM 1899 C ARG A 123 4.981 -10.280 -5.728 1.00 0.00 C ATOM 1900 O ARG A 123 3.804 -10.078 -6.028 1.00 0.00 O ATOM 1901 CB ARG A 123 6.719 -9.018 -7.018 1.00 0.00 C ATOM 1902 CG ARG A 123 5.831 -8.535 -8.150 1.00 0.00 C ATOM 1903 CD ARG A 123 6.554 -8.598 -9.482 1.00 0.00 C ATOM 1904 NE ARG A 123 5.809 -7.931 -10.548 1.00 0.00 N ATOM 1905 CZ ARG A 123 5.839 -8.312 -11.825 1.00 0.00 C ATOM 1906 NH1 ARG A 123 6.540 -9.382 -12.186 1.00 0.00 N ATOM 1907 NH2 ARG A 123 5.176 -7.614 -12.741 1.00 0.00 N ATOM 0 H ARG A 123 7.914 -9.523 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 123 5.478 -8.202 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.557 -8.330 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.137 -9.989 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 123 4.929 -9.146 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.513 -7.511 -7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.536 -8.135 -9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 123 6.720 -9.640 -9.754 1.00 0.00 H new ATOM 0 HE ARG A 123 5.232 -7.127 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.057 -9.914 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.561 -9.672 -13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 123 4.645 -6.788 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 123 5.198 -7.905 -13.718 1.00 0.00 H new ATOM 1921 N GLY A 124 5.449 -11.474 -5.394 1.00 0.00 N ATOM 1922 CA GLY A 124 4.572 -12.634 -5.333 1.00 0.00 C ATOM 1923 C GLY A 124 3.632 -12.551 -4.146 1.00 0.00 C ATOM 1924 O GLY A 124 2.493 -13.039 -4.186 1.00 0.00 O ATOM 0 H GLY A 124 6.424 -11.664 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.993 -12.704 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.171 -13.542 -5.263 1.00 0.00 H new ATOM 1928 N LYS A 125 4.110 -11.911 -3.087 1.00 0.00 N ATOM 1929 CA LYS A 125 3.305 -11.650 -1.910 1.00 0.00 C ATOM 1930 C LYS A 125 2.147 -10.752 -2.282 1.00 0.00 C ATOM 1931 O LYS A 125 1.043 -10.879 -1.756 1.00 0.00 O ATOM 1932 CB LYS A 125 4.172 -10.988 -0.855 1.00 0.00 C ATOM 1933 CG LYS A 125 5.480 -11.731 -0.675 1.00 0.00 C ATOM 1934 CD LYS A 125 6.285 -11.234 0.515 1.00 0.00 C ATOM 1935 CE LYS A 125 7.585 -12.014 0.686 1.00 0.00 C ATOM 1936 NZ LYS A 125 7.346 -13.468 0.890 1.00 0.00 N ATOM 0 H LYS A 125 5.066 -11.560 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 125 2.909 -12.584 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.374 -9.956 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.635 -10.957 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.274 -12.794 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 125 6.078 -11.628 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.511 -10.176 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.686 -11.323 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.211 -11.871 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 125 8.136 -11.615 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 8.218 -13.918 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.589 -13.600 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 7.064 -13.903 -0.011 1.00 0.00 H new ATOM 1950 N MET A 126 2.419 -9.852 -3.212 1.00 0.00 N ATOM 1951 CA MET A 126 1.395 -8.990 -3.763 1.00 0.00 C ATOM 1952 C MET A 126 0.536 -9.795 -4.719 1.00 0.00 C ATOM 1953 O MET A 126 -0.659 -9.551 -4.872 1.00 0.00 O ATOM 1954 CB MET A 126 2.022 -7.824 -4.528 1.00 0.00 C ATOM 1955 CG MET A 126 3.264 -7.244 -3.881 1.00 0.00 C ATOM 1956 SD MET A 126 4.207 -6.205 -5.009 1.00 0.00 S ATOM 1957 CE MET A 126 5.709 -5.974 -4.077 1.00 0.00 C ATOM 0 H MET A 126 3.349 -9.701 -3.602 1.00 0.00 H new ATOM 0 HA MET A 126 0.794 -8.593 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.275 -8.160 -5.534 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.279 -7.033 -4.633 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.975 -6.659 -3.008 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.897 -8.056 -3.525 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.524 -5.722 -4.756 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.571 -5.165 -3.360 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.952 -6.893 -3.544 1.00 0.00 H new ATOM 1967 N ASP A 127 1.126 -10.819 -5.294 1.00 0.00 N ATOM 1968 CA ASP A 127 0.484 -11.524 -6.387 1.00 0.00 C ATOM 1969 C ASP A 127 -0.629 -12.429 -5.868 1.00 0.00 C ATOM 1970 O ASP A 127 -1.508 -12.849 -6.617 1.00 0.00 O ATOM 1971 CB ASP A 127 1.540 -12.324 -7.154 1.00 0.00 C ATOM 1972 CG ASP A 127 0.946 -13.374 -8.069 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.414 -13.009 -9.134 1.00 0.00 O ATOM 1974 OD2 ASP A 127 1.021 -14.573 -7.732 1.00 0.00 O ATOM 0 H ASP A 127 2.041 -11.182 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 127 0.024 -10.804 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.147 -11.638 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 127 2.208 -12.808 -6.441 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.630 -12.663 -4.569 1.00 0.00 N ATOM 1980 CA GLY A 128 -1.769 -13.326 -3.952 1.00 0.00 C ATOM 1981 C GLY A 128 -2.403 -12.502 -2.840 1.00 0.00 C ATOM 1982 O GLY A 128 -3.596 -12.142 -2.887 1.00 0.00 O ATOM 0 H GLY A 128 0.125 -12.412 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.519 -13.535 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.449 -14.287 -3.548 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.595 -12.160 -1.854 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.118 -11.540 -0.662 1.00 0.00 C ATOM 1988 C GLY A 129 -2.586 -10.125 -0.897 1.00 0.00 C ATOM 1989 O GLY A 129 -3.391 -9.605 -0.130 1.00 0.00 O ATOM 0 H GLY A 129 -0.585 -12.301 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -2.949 -12.135 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.348 -11.540 0.110 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.120 -9.501 -1.972 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.377 -8.092 -2.171 1.00 0.00 C ATOM 1995 C TRP A 130 -3.818 -7.846 -2.595 1.00 0.00 C ATOM 1996 O TRP A 130 -4.392 -6.829 -2.241 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.410 -7.540 -3.192 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.034 -6.118 -3.008 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -0.548 -5.310 -3.976 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.089 -5.330 -1.810 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -0.302 -4.075 -3.473 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.633 -4.049 -2.152 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.487 -5.568 -0.489 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.560 -3.007 -1.238 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.412 -4.531 0.422 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -0.954 -3.262 0.038 1.00 0.00 C ATOM 0 H TRP A 130 -1.570 -9.946 -2.707 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.228 -7.573 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.503 -8.144 -3.172 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -1.848 -7.657 -4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.380 -5.605 -5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 130 0.073 -3.288 -4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.845 -6.541 -0.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -0.204 -2.030 -1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -1.711 -4.701 1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.913 -2.471 0.772 1.00 0.00 H new ATOM 2017 N THR A 131 -4.419 -8.760 -3.351 1.00 0.00 N ATOM 2018 CA THR A 131 -5.839 -8.641 -3.621 1.00 0.00 C ATOM 2019 C THR A 131 -6.638 -9.026 -2.399 1.00 0.00 C ATOM 2020 O THR A 131 -7.699 -8.482 -2.157 1.00 0.00 O ATOM 2021 CB THR A 131 -6.323 -9.487 -4.793 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.615 -10.733 -4.825 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.155 -8.742 -6.111 1.00 0.00 C ATOM 0 H THR A 131 -3.958 -9.566 -3.774 1.00 0.00 H new ATOM 0 HA THR A 131 -5.994 -7.595 -3.887 1.00 0.00 H new ATOM 0 HB THR A 131 -7.385 -9.689 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.933 -11.271 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.508 -9.368 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 131 -6.735 -7.819 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.102 -8.505 -6.263 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.147 -9.975 -1.636 1.00 0.00 N ATOM 2032 CA GLY A 132 -6.784 -10.252 -0.378 1.00 0.00 C ATOM 2033 C GLY A 132 -6.993 -8.976 0.410 1.00 0.00 C ATOM 2034 O GLY A 132 -8.111 -8.647 0.798 1.00 0.00 O ATOM 0 H GLY A 132 -5.334 -10.550 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.743 -10.740 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.173 -10.946 0.199 1.00 0.00 H new ATOM 2038 N ILE A 133 -5.939 -8.209 0.580 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.031 -7.017 1.392 1.00 0.00 C ATOM 2040 C ILE A 133 -6.538 -5.804 0.593 1.00 0.00 C ATOM 2041 O ILE A 133 -7.432 -5.113 1.037 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.698 -6.673 2.067 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.817 -7.916 2.255 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.980 -6.045 3.418 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -4.378 -8.931 3.232 1.00 0.00 C ATOM 0 H ILE A 133 -5.021 -8.386 0.173 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.762 -7.245 2.168 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.158 -5.978 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -3.677 -8.398 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -2.832 -7.601 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -4.038 -5.796 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -5.569 -5.138 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.536 -6.749 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -3.696 -9.778 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -4.492 -8.468 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -5.349 -9.277 2.879 1.00 0.00 H new ATOM 2057 N VAL A 134 -5.993 -5.531 -0.583 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.462 -4.387 -1.361 1.00 0.00 C ATOM 2059 C VAL A 134 -7.764 -4.701 -2.085 1.00 0.00 C ATOM 2060 O VAL A 134 -8.691 -3.911 -2.070 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.424 -3.922 -2.394 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -5.881 -2.645 -3.058 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.093 -3.693 -1.739 1.00 0.00 C ATOM 0 H VAL A 134 -5.242 -6.070 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.627 -3.585 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.321 -4.704 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.136 -2.327 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.832 -2.817 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.006 -1.867 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.371 -3.364 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.193 -2.927 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.747 -4.621 -1.284 1.00 0.00 H new ATOM 2073 N ASN A 135 -7.878 -5.872 -2.669 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.071 -6.154 -3.444 1.00 0.00 C ATOM 2075 C ASN A 135 -10.212 -6.454 -2.497 1.00 0.00 C ATOM 2076 O ASN A 135 -11.327 -5.975 -2.688 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.839 -7.310 -4.425 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.009 -7.604 -5.356 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -11.177 -7.466 -4.998 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -9.693 -8.013 -6.574 1.00 0.00 N ATOM 0 H ASN A 135 -7.188 -6.622 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.324 -5.280 -4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -7.960 -7.084 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.611 -8.211 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -10.429 -8.224 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -8.714 -8.117 -6.839 1.00 0.00 H new ATOM 2087 N GLU A 136 -9.951 -7.175 -1.419 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.029 -7.506 -0.576 1.00 0.00 C ATOM 2089 C GLU A 136 -11.153 -6.475 0.538 1.00 0.00 C ATOM 2090 O GLU A 136 -12.210 -5.901 0.705 1.00 0.00 O ATOM 2091 CB GLU A 136 -10.808 -8.932 -0.075 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.341 -9.182 1.322 1.00 0.00 C ATOM 2093 CD GLU A 136 -10.793 -10.438 1.965 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -10.403 -11.371 1.243 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -10.747 -10.487 3.215 1.00 0.00 O ATOM 0 H GLU A 136 -9.033 -7.519 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 136 -11.981 -7.481 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.286 -9.627 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.740 -9.151 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.099 -8.326 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.428 -9.250 1.280 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.047 -6.122 1.188 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.099 -5.196 2.318 1.00 0.00 C ATOM 2104 C ARG A 137 -10.154 -3.744 1.899 1.00 0.00 C ATOM 2105 O ARG A 137 -10.768 -2.964 2.582 1.00 0.00 O ATOM 2106 CB ARG A 137 -8.980 -5.439 3.338 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.741 -4.291 4.329 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.002 -3.872 5.088 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.389 -4.814 6.138 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.539 -4.735 6.818 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.411 -3.765 6.546 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.809 -5.610 7.776 1.00 0.00 N ATOM 0 H ARG A 137 -9.113 -6.458 0.956 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.043 -5.414 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.213 -6.342 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.053 -5.631 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -7.978 -4.593 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.348 -3.430 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.840 -2.890 5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.825 -3.769 4.381 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.747 -5.573 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.203 -3.081 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.287 -3.706 7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.139 -6.347 7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.687 -5.547 8.292 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.537 -3.338 0.812 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.624 -1.941 0.469 1.00 0.00 C ATOM 2128 C LEU A 138 -11.063 -1.644 0.156 1.00 0.00 C ATOM 2129 O LEU A 138 -11.593 -0.644 0.608 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.692 -1.589 -0.675 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.570 -0.114 -1.012 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.302 0.729 0.220 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.454 0.073 -2.001 1.00 0.00 C ATOM 0 H LEU A 138 -8.994 -3.924 0.178 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.298 -1.320 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.699 -1.969 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.030 -2.117 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.518 0.215 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.222 1.777 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.121 0.608 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.370 0.408 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.360 1.130 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.520 -0.282 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.672 -0.493 -2.907 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.716 -2.567 -0.546 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.157 -2.483 -0.716 1.00 0.00 C ATOM 2147 C ARG A 139 -13.830 -2.570 0.644 1.00 0.00 C ATOM 2148 O ARG A 139 -14.813 -1.905 0.887 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.670 -3.583 -1.664 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.178 -3.555 -1.958 1.00 0.00 C ATOM 2151 CD ARG A 139 -15.988 -4.189 -0.833 1.00 0.00 C ATOM 2152 NE ARG A 139 -17.244 -4.778 -1.299 1.00 0.00 N ATOM 2153 CZ ARG A 139 -17.827 -5.834 -0.727 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -17.264 -6.421 0.325 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -18.967 -6.308 -1.211 1.00 0.00 N ATOM 0 H ARG A 139 -11.276 -3.368 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.406 -1.525 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.132 -3.503 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.419 -4.553 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.501 -2.524 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.376 -4.084 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -15.388 -4.960 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -16.205 -3.434 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 139 -17.701 -4.357 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -16.384 -6.065 0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.712 -7.228 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -19.400 -5.866 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -19.411 -7.115 -0.773 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.293 -3.380 1.541 1.00 0.00 N ATOM 2170 CA LYS A 140 -13.890 -3.539 2.845 1.00 0.00 C ATOM 2171 C LYS A 140 -13.768 -2.288 3.721 1.00 0.00 C ATOM 2172 O LYS A 140 -14.731 -1.861 4.330 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.319 -4.780 3.534 1.00 0.00 C ATOM 2174 CG LYS A 140 -13.799 -6.044 2.855 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.246 -7.333 3.439 1.00 0.00 C ATOM 2176 CE LYS A 140 -11.840 -7.187 3.985 1.00 0.00 C ATOM 2177 NZ LYS A 140 -11.427 -8.372 4.786 1.00 0.00 N ATOM 0 H LYS A 140 -12.450 -3.932 1.386 1.00 0.00 H new ATOM 0 HA LYS A 140 -14.961 -3.682 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.230 -4.743 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.619 -4.789 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.887 -6.076 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -13.531 -5.996 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -13.905 -7.675 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -13.251 -8.105 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.143 -7.047 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.783 -6.292 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.809 -8.066 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.271 -8.838 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.913 -9.040 4.177 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.616 -1.674 3.734 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.377 -0.503 4.553 1.00 0.00 C ATOM 2193 C ALA A 141 -13.133 0.695 4.002 1.00 0.00 C ATOM 2194 O ALA A 141 -13.517 1.600 4.745 1.00 0.00 O ATOM 2195 CB ALA A 141 -10.891 -0.216 4.635 1.00 0.00 C ATOM 0 H ALA A 141 -11.812 -1.967 3.179 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.744 -0.698 5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.724 0.666 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.379 -1.071 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.499 -0.037 3.634 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.358 0.694 2.694 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.039 1.791 2.056 1.00 0.00 C ATOM 2203 C VAL A 142 -15.516 1.479 1.976 1.00 0.00 C ATOM 2204 O VAL A 142 -16.346 2.362 1.772 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.490 2.066 0.646 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.007 2.389 0.703 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.756 0.913 -0.311 1.00 0.00 C ATOM 0 H VAL A 142 -13.076 -0.057 2.064 1.00 0.00 H new ATOM 0 HA VAL A 142 -13.872 2.687 2.654 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.023 2.933 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.637 2.580 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.851 3.273 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.467 1.545 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.350 1.154 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.279 0.009 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -14.830 0.749 -0.393 1.00 0.00 H new ATOM 2217 N GLU A 143 -15.834 0.207 2.141 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.190 -0.251 1.976 1.00 0.00 C ATOM 2219 C GLU A 143 -17.520 -1.453 2.880 1.00 0.00 C ATOM 2220 O GLU A 143 -18.379 -1.351 3.751 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.371 -0.598 0.501 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.331 -1.721 0.253 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.762 -1.248 0.082 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.295 -0.590 1.002 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.346 -1.490 -0.994 1.00 0.00 O ATOM 0 H GLU A 143 -15.166 -0.523 2.389 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.883 0.535 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.719 0.288 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -16.401 -0.862 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -18.024 -2.264 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -18.283 -2.424 1.085 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.757 -2.535 2.712 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.115 -3.891 3.172 1.00 0.00 C ATOM 2234 C GLU A 144 -18.622 -4.174 3.088 1.00 0.00 C ATOM 2235 O GLU A 144 -19.085 -4.684 2.070 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.529 -4.238 4.559 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.914 -3.324 5.711 1.00 0.00 C ATOM 2238 CD GLU A 144 -16.338 -3.816 7.022 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.093 -3.844 7.158 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -17.120 -4.224 7.906 1.00 0.00 O ATOM 0 H GLU A 144 -15.852 -2.499 2.243 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.637 -4.569 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -16.835 -5.253 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -15.442 -4.243 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -16.557 -2.314 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -18.000 -3.269 5.787 1.00 0.00 H new ATOM 2247 N LEU A 145 -19.380 -3.835 4.135 1.00 0.00 N ATOM 2248 CA LEU A 145 -20.810 -4.151 4.193 1.00 0.00 C ATOM 2249 C LEU A 145 -21.037 -5.638 3.951 1.00 0.00 C ATOM 2250 O LEU A 145 -22.030 -6.042 3.340 1.00 0.00 O ATOM 2251 CB LEU A 145 -21.603 -3.315 3.176 1.00 0.00 C ATOM 2252 CG LEU A 145 -22.342 -2.100 3.749 1.00 0.00 C ATOM 2253 CD1 LEU A 145 -23.461 -2.546 4.677 1.00 0.00 C ATOM 2254 CD2 LEU A 145 -21.384 -1.183 4.488 1.00 0.00 C ATOM 0 H LEU A 145 -19.027 -3.341 4.955 1.00 0.00 H new ATOM 0 HA LEU A 145 -21.170 -3.900 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -20.916 -2.969 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -22.331 -3.964 2.688 1.00 0.00 H new ATOM 0 HG LEU A 145 -22.776 -1.546 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -23.975 -1.671 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -24.169 -3.162 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -23.042 -3.126 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -21.932 -0.328 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -20.918 -1.729 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -20.613 -0.833 3.801 1.00 0.00 H new ATOM 2266 N GLU A 146 -20.099 -6.443 4.437 1.00 0.00 N ATOM 2267 CA GLU A 146 -20.155 -7.883 4.270 1.00 0.00 C ATOM 2268 C GLU A 146 -21.394 -8.452 4.933 1.00 0.00 C ATOM 2269 O GLU A 146 -21.599 -8.298 6.140 1.00 0.00 O ATOM 2270 CB GLU A 146 -18.898 -8.536 4.840 1.00 0.00 C ATOM 2271 CG GLU A 146 -17.658 -8.293 3.994 1.00 0.00 C ATOM 2272 CD GLU A 146 -17.752 -8.961 2.636 1.00 0.00 C ATOM 2273 OE1 GLU A 146 -18.354 -8.377 1.715 1.00 0.00 O ATOM 2274 OE2 GLU A 146 -17.227 -10.083 2.487 1.00 0.00 O ATOM 0 H GLU A 146 -19.284 -6.114 4.955 1.00 0.00 H new ATOM 0 HA GLU A 146 -20.206 -8.101 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -18.723 -8.155 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -19.063 -9.610 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -17.516 -7.221 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -16.781 -8.668 4.522 1.00 0.00 H new ATOM 2281 N HIS A 147 -22.226 -9.088 4.130 1.00 0.00 N ATOM 2282 CA HIS A 147 -23.461 -9.670 4.619 1.00 0.00 C ATOM 2283 C HIS A 147 -23.195 -11.069 5.144 1.00 0.00 C ATOM 2284 O HIS A 147 -23.164 -12.029 4.377 1.00 0.00 O ATOM 2285 CB HIS A 147 -24.516 -9.704 3.511 1.00 0.00 C ATOM 2286 CG HIS A 147 -24.838 -8.351 2.958 1.00 0.00 C ATOM 2287 ND1 HIS A 147 -24.765 -8.046 1.615 1.00 0.00 N ATOM 2288 CD2 HIS A 147 -25.237 -7.216 3.576 1.00 0.00 C ATOM 2289 CE1 HIS A 147 -25.104 -6.783 1.435 1.00 0.00 C ATOM 2290 NE2 HIS A 147 -25.397 -6.258 2.608 1.00 0.00 N ATOM 0 H HIS A 147 -22.067 -9.215 3.130 1.00 0.00 H new ATOM 0 HA HIS A 147 -23.844 -9.053 5.432 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -24.163 -10.345 2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -25.428 -10.156 3.901 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -25.400 -7.088 4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -25.136 -6.267 0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -25.694 -5.296 2.769 1.00 0.00 H new ATOM 2299 N HIS A 148 -22.971 -11.157 6.451 1.00 0.00 N ATOM 2300 CA HIS A 148 -22.413 -12.354 7.080 1.00 0.00 C ATOM 2301 C HIS A 148 -23.161 -13.623 6.680 1.00 0.00 C ATOM 2302 O HIS A 148 -22.555 -14.550 6.134 1.00 0.00 O ATOM 2303 CB HIS A 148 -22.427 -12.203 8.608 1.00 0.00 C ATOM 2304 CG HIS A 148 -21.566 -13.203 9.333 1.00 0.00 C ATOM 2305 ND1 HIS A 148 -21.346 -14.520 9.110 1.00 0.00 N flip ATOM 2306 CD2 HIS A 148 -20.813 -12.881 10.441 1.00 0.00 C flip ATOM 2307 CE1 HIS A 148 -20.479 -14.959 10.074 1.00 0.00 C flip ATOM 2308 NE2 HIS A 148 -20.170 -13.952 10.866 1.00 0.00 N flip ATOM 0 H HIS A 148 -23.171 -10.401 7.106 1.00 0.00 H new ATOM 0 HA HIS A 148 -21.387 -12.453 6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -22.093 -11.198 8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -23.453 -12.299 8.962 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -20.758 -11.902 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -20.108 -15.969 10.170 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -19.542 -13.993 11.669 1.00 0.00 H new ATOM 2317 N HIS A 149 -24.465 -13.653 6.954 1.00 0.00 N ATOM 2318 CA HIS A 149 -25.272 -14.858 6.776 1.00 0.00 C ATOM 2319 C HIS A 149 -24.679 -16.000 7.600 1.00 0.00 C ATOM 2320 O HIS A 149 -24.065 -15.753 8.641 1.00 0.00 O ATOM 2321 CB HIS A 149 -25.370 -15.250 5.292 1.00 0.00 C ATOM 2322 CG HIS A 149 -26.161 -14.285 4.461 1.00 0.00 C ATOM 2323 ND1 HIS A 149 -25.761 -13.285 3.645 1.00 0.00 N flip ATOM 2324 CD2 HIS A 149 -27.538 -14.286 4.411 1.00 0.00 C flip ATOM 2325 CE1 HIS A 149 -26.890 -12.704 3.121 1.00 0.00 C flip ATOM 2326 NE2 HIS A 149 -27.947 -13.329 3.600 1.00 0.00 N flip ATOM 0 H HIS A 149 -24.987 -12.849 7.303 1.00 0.00 H new ATOM 0 HA HIS A 149 -26.284 -14.653 7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -24.364 -15.330 4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -25.825 -16.238 5.216 1.00 0.00 H new ATOM 0 HD1 HIS A 149 -24.797 -13.012 3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -28.182 -14.964 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -26.909 -11.873 2.431 1.00 0.00 H new ATOM 2335 N HIS A 150 -24.882 -17.235 7.150 1.00 0.00 N ATOM 2336 CA HIS A 150 -24.303 -18.415 7.802 1.00 0.00 C ATOM 2337 C HIS A 150 -24.957 -18.670 9.156 1.00 0.00 C ATOM 2338 O HIS A 150 -24.535 -18.134 10.183 1.00 0.00 O ATOM 2339 CB HIS A 150 -22.782 -18.279 7.975 1.00 0.00 C ATOM 2340 CG HIS A 150 -22.004 -18.378 6.698 1.00 0.00 C ATOM 2341 ND1 HIS A 150 -21.075 -19.366 6.464 1.00 0.00 N ATOM 2342 CD2 HIS A 150 -22.010 -17.600 5.589 1.00 0.00 C ATOM 2343 CE1 HIS A 150 -20.543 -19.194 5.270 1.00 0.00 C ATOM 2344 NE2 HIS A 150 -21.094 -18.129 4.716 1.00 0.00 N ATOM 0 H HIS A 150 -25.448 -17.450 6.329 1.00 0.00 H new ATOM 0 HA HIS A 150 -24.498 -19.266 7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -22.566 -17.319 8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -22.435 -19.054 8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -22.622 -16.726 5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -19.785 -19.818 4.821 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -20.874 -17.760 3.791 1.00 0.00 H new ATOM 2353 N HIS A 151 -25.995 -19.486 9.150 1.00 0.00 N ATOM 2354 CA HIS A 151 -26.695 -19.838 10.374 1.00 0.00 C ATOM 2355 C HIS A 151 -26.614 -21.336 10.614 1.00 0.00 C ATOM 2356 O HIS A 151 -26.767 -22.132 9.687 1.00 0.00 O ATOM 2357 CB HIS A 151 -28.155 -19.384 10.315 1.00 0.00 C ATOM 2358 CG HIS A 151 -28.342 -17.916 10.551 1.00 0.00 C ATOM 2359 ND1 HIS A 151 -29.022 -17.414 11.639 1.00 0.00 N ATOM 2360 CD2 HIS A 151 -27.938 -16.838 9.835 1.00 0.00 C ATOM 2361 CE1 HIS A 151 -29.030 -16.097 11.582 1.00 0.00 C ATOM 2362 NE2 HIS A 151 -28.379 -15.721 10.500 1.00 0.00 N ATOM 0 H HIS A 151 -26.374 -19.920 8.308 1.00 0.00 H new ATOM 0 HA HIS A 151 -26.213 -19.324 11.205 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -28.566 -19.641 9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -28.728 -19.938 11.058 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -27.375 -16.855 8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -29.492 -15.437 12.301 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -28.227 -14.757 10.204 1.00 0.00 H new ATOM 2371 N HIS A 152 -26.356 -21.715 11.855 1.00 0.00 N ATOM 2372 CA HIS A 152 -26.194 -23.115 12.216 1.00 0.00 C ATOM 2373 C HIS A 152 -26.727 -23.357 13.622 1.00 0.00 C ATOM 2374 O HIS A 152 -26.427 -22.540 14.516 1.00 0.00 O ATOM 2375 CB HIS A 152 -24.717 -23.540 12.117 1.00 0.00 C ATOM 2376 CG HIS A 152 -23.791 -22.783 13.026 1.00 0.00 C ATOM 2377 ND1 HIS A 152 -23.243 -23.328 14.168 1.00 0.00 N ATOM 2378 CD2 HIS A 152 -23.309 -21.518 12.950 1.00 0.00 C ATOM 2379 CE1 HIS A 152 -22.471 -22.433 14.752 1.00 0.00 C ATOM 2380 NE2 HIS A 152 -22.493 -21.329 14.035 1.00 0.00 N ATOM 2381 OXT HIS A 152 -27.440 -24.355 13.826 1.00 0.00 O ATOM 0 H HIS A 152 -26.253 -21.067 12.636 1.00 0.00 H new ATOM 0 HA HIS A 152 -26.766 -23.721 11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -24.641 -24.603 12.345 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -24.382 -23.410 11.088 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -23.527 -20.794 12.179 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -21.914 -22.581 15.665 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -21.985 -20.472 14.252 1.00 0.00 H new TER 2390 HIS A 152