USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1404 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 54 THR OG1 : rot 162:sc= 0.246 USER MOD Set 1.2: A 138 TYR OH : rot -177:sc= 0.675 USER MOD Set 2.1: A 130 LYS NZ :NH3+ -161:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 132 TYR OH : rot 30:sc= 0.872 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.337 K(o=0.92,f=-1) USER MOD Set 3.2: A 82 THR OG1 : rot -63:sc= 0.58 USER MOD Set 4.1: A 52 TYR OH : rot 180:sc=-0.00311 USER MOD Set 4.2: A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 1 GLN N :NH3+ -168:sc= -0.053 (180deg=-0.258) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00159 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0.645 K(o=0.64,f=-0.27) USER MOD Single : A 15 SER OG : rot 79:sc= -1.36! USER MOD Single : A 19 GLN : amide:sc= -0.279 K(o=-0.28,f=-3.7) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.916 F(o=-2.7!,f=-0.92) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.305 F(o=-2.7!,f=-0.31) USER MOD Single : A 42 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.38) USER MOD Single : A 43 LYS NZ :NH3+ -109:sc= -2.48 (180deg=-2.98!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0727 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 51 MET CE :methyl 168:sc= -2.05! (180deg=-3!) USER MOD Single : A 53 SER OG : rot -71:sc= -0.245! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.358 F(o=-1.9,f=-0.36) USER MOD Single : A 62 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 63 SER OG : rot 36:sc= 0.202 USER MOD Single : A 64 TYR OH : rot 165:sc= -0.432 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.46) USER MOD Single : A 78 TYR OH : rot 56:sc= 0.0949 USER MOD Single : A 86 SER OG : rot 173:sc= 1.43 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -3.24 K(o=-3.2,f=-7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 96 ASN : amide:sc= -0.175 K(o=-0.18,f=-4.3!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.0018) USER MOD Single : A 99 SER OG : rot -29:sc= 0.0752 USER MOD Single : A 100 TYR OH : rot 165:sc= 1.01 USER MOD Single : A 102 GLN :FLIP amide:sc= -1.87 F(o=-3.7!,f=-1.9) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.71 F(o=-1.5,f=-0.71) USER MOD Single : A 105 SER OG : rot -5:sc= 0.939 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 109 GLN : amide:sc= -9.65! C(o=-9.6!,f=-12!) USER MOD Single : A 113 THR OG1 : rot -94:sc= 0.322 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 MET CE :methyl 162:sc= -0.343 (180deg=-1.69) USER MOD Single : A 124 GLN :FLIP amide:sc= -0.0633 F(o=-1.7!,f=-0.063) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 67:sc= 0.879 USER MOD Single : A 127 SER OG : rot 41:sc= -0.732 USER MOD Single : A 129 ASN : amide:sc= 1.18 K(o=1.2,f=-0.052) USER MOD Single : A 131 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 136 THR OG1 : rot 148:sc= 0.126 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= 0.421 (180deg=0.27) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -178:sc= -0.451 (180deg=-0.472) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.0524 K(o=-0.052,f=-3.3!) USER MOD Single : A 165 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.6) USER MOD Single : A 169 SER OG : rot -93:sc= 0.955 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.373! USER MOD Single : A 174 GLN : amide:sc= -3.04! C(o=-3!,f=-7.1!) USER MOD Single : A 178 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -17.013 20.526 -0.797 1.00 10.05 N ATOM 2 CA GLN A 1 -18.301 19.969 -1.268 1.00 9.53 C ATOM 3 C GLN A 1 -18.115 18.516 -1.670 1.00 8.72 C ATOM 4 O GLN A 1 -17.206 18.190 -2.431 1.00 8.81 O ATOM 5 CB GLN A 1 -18.831 20.753 -2.467 1.00 9.95 C ATOM 6 CG GLN A 1 -18.928 22.254 -2.238 1.00 10.89 C ATOM 7 CD GLN A 1 -19.440 22.994 -3.456 1.00 11.00 C ATOM 8 OE1 GLN A 1 -20.234 22.462 -4.235 1.00 10.82 O ATOM 9 NE2 GLN A 1 -18.986 24.224 -3.633 1.00 11.52 N ATOM 0 H1 GLN A 1 -17.179 21.443 -0.336 1.00 10.05 H new ATOM 0 H2 GLN A 1 -16.579 19.870 -0.116 1.00 10.05 H new ATOM 0 H3 GLN A 1 -16.374 20.656 -1.607 1.00 10.05 H new ATOM 0 HA GLN A 1 -19.021 20.044 -0.453 1.00 9.53 H new ATOM 0 HB2 GLN A 1 -18.182 20.569 -3.323 1.00 9.95 H new ATOM 0 HB3 GLN A 1 -19.818 20.372 -2.728 1.00 9.95 H new ATOM 0 HG2 GLN A 1 -19.590 22.448 -1.394 1.00 10.89 H new ATOM 0 HG3 GLN A 1 -17.946 22.641 -1.968 1.00 10.89 H new ATOM 0 HE21 GLN A 1 -18.330 24.627 -2.964 1.00 11.52 H new ATOM 0 HE22 GLN A 1 -19.292 24.770 -4.438 1.00 11.52 H new ATOM 20 N ASP A 2 -18.988 17.657 -1.174 1.00 8.19 N ATOM 21 CA ASP A 2 -18.870 16.223 -1.402 1.00 7.64 C ATOM 22 C ASP A 2 -20.153 15.685 -2.011 1.00 6.86 C ATOM 23 O ASP A 2 -20.902 14.953 -1.366 1.00 6.69 O ATOM 24 CB ASP A 2 -18.570 15.481 -0.093 1.00 8.16 C ATOM 25 CG ASP A 2 -17.398 16.073 0.658 1.00 8.50 C ATOM 26 OD1 ASP A 2 -16.261 16.000 0.153 1.00 8.87 O ATOM 27 OD2 ASP A 2 -17.615 16.640 1.751 1.00 8.62 O ATOM 0 H ASP A 2 -19.792 17.927 -0.607 1.00 8.19 H new ATOM 0 HA ASP A 2 -18.042 16.057 -2.092 1.00 7.64 H new ATOM 0 HB2 ASP A 2 -19.454 15.505 0.544 1.00 8.16 H new ATOM 0 HB3 ASP A 2 -18.364 14.434 -0.313 1.00 8.16 H new ATOM 32 N SER A 3 -20.400 16.059 -3.260 1.00 6.71 N ATOM 33 CA SER A 3 -21.614 15.660 -3.961 1.00 6.26 C ATOM 34 C SER A 3 -21.690 14.142 -4.105 1.00 5.42 C ATOM 35 O SER A 3 -22.766 13.549 -4.052 1.00 5.49 O ATOM 36 CB SER A 3 -21.645 16.331 -5.332 1.00 6.98 C ATOM 37 OG SER A 3 -21.366 17.714 -5.210 1.00 7.51 O ATOM 0 H SER A 3 -19.771 16.642 -3.812 1.00 6.71 H new ATOM 0 HA SER A 3 -22.480 15.979 -3.381 1.00 6.26 H new ATOM 0 HB2 SER A 3 -20.913 15.862 -5.990 1.00 6.98 H new ATOM 0 HB3 SER A 3 -22.623 16.190 -5.791 1.00 6.98 H new ATOM 0 HG SER A 3 -21.387 18.131 -6.096 1.00 7.51 H new ATOM 43 N THR A 4 -20.539 13.518 -4.268 1.00 5.01 N ATOM 44 CA THR A 4 -20.471 12.072 -4.374 1.00 4.56 C ATOM 45 C THR A 4 -19.691 11.490 -3.198 1.00 3.84 C ATOM 46 O THR A 4 -18.458 11.493 -3.198 1.00 4.15 O ATOM 47 CB THR A 4 -19.816 11.632 -5.701 1.00 5.23 C ATOM 48 OG1 THR A 4 -20.549 12.167 -6.815 1.00 5.56 O ATOM 49 CG2 THR A 4 -19.771 10.113 -5.812 1.00 5.56 C ATOM 0 H THR A 4 -19.637 13.990 -4.330 1.00 5.01 H new ATOM 0 HA THR A 4 -21.493 11.693 -4.355 1.00 4.56 H new ATOM 0 HB THR A 4 -18.796 12.015 -5.714 1.00 5.23 H new ATOM 0 HG1 THR A 4 -20.125 11.884 -7.652 1.00 5.56 H new ATOM 0 HG21 THR A 4 -19.305 9.831 -6.756 1.00 5.56 H new ATOM 0 HG22 THR A 4 -19.191 9.705 -4.984 1.00 5.56 H new ATOM 0 HG23 THR A 4 -20.785 9.715 -5.775 1.00 5.56 H new ATOM 57 N GLN A 5 -20.413 11.002 -2.196 1.00 3.36 N ATOM 58 CA GLN A 5 -19.794 10.365 -1.041 1.00 3.15 C ATOM 59 C GLN A 5 -19.418 8.931 -1.373 1.00 2.17 C ATOM 60 O GLN A 5 -19.913 7.978 -0.775 1.00 2.51 O ATOM 61 CB GLN A 5 -20.719 10.388 0.168 1.00 3.99 C ATOM 62 CG GLN A 5 -20.988 11.777 0.717 1.00 4.99 C ATOM 63 CD GLN A 5 -21.607 11.736 2.099 1.00 5.91 C ATOM 64 OE1 GLN A 5 -20.901 11.732 3.108 1.00 6.48 O ATOM 65 NE2 GLN A 5 -22.928 11.701 2.159 1.00 6.37 N ATOM 0 H GLN A 5 -21.432 11.036 -2.161 1.00 3.36 H new ATOM 0 HA GLN A 5 -18.895 10.928 -0.792 1.00 3.15 H new ATOM 0 HB2 GLN A 5 -21.668 9.927 -0.106 1.00 3.99 H new ATOM 0 HB3 GLN A 5 -20.283 9.775 0.957 1.00 3.99 H new ATOM 0 HG2 GLN A 5 -20.054 12.338 0.756 1.00 4.99 H new ATOM 0 HG3 GLN A 5 -21.653 12.311 0.039 1.00 4.99 H new ATOM 0 HE21 GLN A 5 -23.478 11.706 1.300 1.00 6.37 H new ATOM 0 HE22 GLN A 5 -23.397 11.669 3.064 1.00 6.37 H new ATOM 74 N ASN A 6 -18.552 8.802 -2.353 1.00 1.52 N ATOM 75 CA ASN A 6 -18.033 7.505 -2.765 1.00 0.89 C ATOM 76 C ASN A 6 -16.896 7.107 -1.845 1.00 0.78 C ATOM 77 O ASN A 6 -16.427 5.969 -1.834 1.00 1.00 O ATOM 78 CB ASN A 6 -17.551 7.582 -4.217 1.00 1.52 C ATOM 79 CG ASN A 6 -17.517 6.238 -4.937 1.00 2.32 C ATOM 80 OD1 ASN A 6 -17.761 6.172 -6.145 1.00 2.86 O ATOM 81 ND2 ASN A 6 -17.195 5.167 -4.228 1.00 3.16 N ATOM 0 H ASN A 6 -18.185 9.588 -2.890 1.00 1.52 H new ATOM 0 HA ASN A 6 -18.819 6.753 -2.701 1.00 0.89 H new ATOM 0 HB2 ASN A 6 -18.202 8.260 -4.768 1.00 1.52 H new ATOM 0 HB3 ASN A 6 -16.551 8.016 -4.234 1.00 1.52 H new ATOM 0 HD21 ASN A 6 -17.143 4.254 -4.679 1.00 3.16 H new ATOM 0 HD22 ASN A 6 -16.999 5.255 -3.231 1.00 3.16 H new ATOM 88 N LEU A 7 -16.487 8.071 -1.066 1.00 0.58 N ATOM 89 CA LEU A 7 -15.426 7.884 -0.093 1.00 0.51 C ATOM 90 C LEU A 7 -15.980 7.280 1.194 1.00 0.45 C ATOM 91 O LEU A 7 -17.079 7.610 1.642 1.00 0.49 O ATOM 92 CB LEU A 7 -14.619 9.199 0.185 1.00 0.52 C ATOM 93 CG LEU A 7 -15.372 10.492 0.591 1.00 0.80 C ATOM 94 CD1 LEU A 7 -16.361 10.945 -0.470 1.00 1.73 C ATOM 95 CD2 LEU A 7 -16.049 10.343 1.944 1.00 1.08 C ATOM 0 H LEU A 7 -16.876 9.014 -1.082 1.00 0.58 H new ATOM 0 HA LEU A 7 -14.714 7.181 -0.524 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -13.901 8.979 0.975 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.045 9.425 -0.714 1.00 0.52 H new ATOM 0 HG LEU A 7 -14.618 11.275 0.678 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -16.861 11.854 -0.136 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -15.830 11.144 -1.401 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -17.102 10.163 -0.635 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -16.567 11.269 2.196 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -16.768 9.525 1.903 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -15.298 10.129 2.705 1.00 1.08 H new ATOM 107 N ILE A 8 -15.234 6.339 1.730 1.00 0.43 N ATOM 108 CA ILE A 8 -15.469 5.821 3.062 1.00 0.40 C ATOM 109 C ILE A 8 -14.870 6.808 4.041 1.00 0.40 C ATOM 110 O ILE A 8 -14.225 7.752 3.607 1.00 0.62 O ATOM 111 CB ILE A 8 -14.849 4.390 3.187 1.00 0.41 C ATOM 112 CG1 ILE A 8 -15.958 3.370 3.450 1.00 0.48 C ATOM 113 CG2 ILE A 8 -13.742 4.282 4.249 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.522 1.937 3.253 1.00 0.47 C ATOM 0 H ILE A 8 -14.442 5.909 1.252 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.532 5.715 3.277 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.361 4.174 2.236 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -16.319 3.494 4.471 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.798 3.580 2.787 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -13.362 3.261 4.276 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -12.930 4.965 3.999 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.148 4.544 5.226 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.360 1.270 3.457 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -15.188 1.796 2.225 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -14.703 1.709 3.935 1.00 0.47 H new ATOM 126 N PRO A 9 -15.169 6.661 5.331 1.00 0.31 N ATOM 127 CA PRO A 9 -14.523 7.381 6.422 1.00 0.28 C ATOM 128 C PRO A 9 -13.112 7.869 6.067 1.00 0.32 C ATOM 129 O PRO A 9 -12.130 7.162 6.272 1.00 0.38 O ATOM 130 CB PRO A 9 -14.477 6.282 7.474 1.00 0.31 C ATOM 131 CG PRO A 9 -15.732 5.488 7.257 1.00 0.35 C ATOM 132 CD PRO A 9 -16.196 5.761 5.846 1.00 0.35 C ATOM 0 HA PRO A 9 -15.039 8.295 6.716 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.590 5.659 7.357 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.442 6.699 8.480 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -15.544 4.424 7.401 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.499 5.776 7.976 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.262 4.845 5.258 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.183 6.223 5.828 1.00 0.35 H new ATOM 140 N ALA A 10 -13.051 9.067 5.492 1.00 0.36 N ATOM 141 CA ALA A 10 -11.814 9.650 4.981 1.00 0.44 C ATOM 142 C ALA A 10 -10.964 10.257 6.096 1.00 0.42 C ATOM 143 O ALA A 10 -11.299 11.309 6.644 1.00 0.53 O ATOM 144 CB ALA A 10 -12.145 10.703 3.919 1.00 0.62 C ATOM 0 H ALA A 10 -13.867 9.666 5.367 1.00 0.36 H new ATOM 0 HA ALA A 10 -11.224 8.852 4.531 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -11.221 11.138 3.538 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.691 10.235 3.100 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.759 11.487 4.363 1.00 0.62 H new ATOM 150 N PRO A 11 -9.862 9.583 6.457 1.00 0.35 N ATOM 151 CA PRO A 11 -8.910 10.051 7.445 1.00 0.35 C ATOM 152 C PRO A 11 -7.667 10.676 6.807 1.00 0.39 C ATOM 153 O PRO A 11 -7.100 10.131 5.860 1.00 0.45 O ATOM 154 CB PRO A 11 -8.539 8.748 8.167 1.00 0.35 C ATOM 155 CG PRO A 11 -8.878 7.634 7.213 1.00 0.41 C ATOM 156 CD PRO A 11 -9.460 8.266 5.971 1.00 0.38 C ATOM 0 HA PRO A 11 -9.316 10.832 8.088 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.480 8.732 8.424 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -9.095 8.646 9.099 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -7.988 7.054 6.968 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.593 6.946 7.665 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.727 8.335 5.167 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.306 7.699 5.583 1.00 0.38 H new ATOM 164 N PRO A 12 -7.223 11.833 7.314 1.00 0.42 N ATOM 165 CA PRO A 12 -5.997 12.467 6.855 1.00 0.46 C ATOM 166 C PRO A 12 -4.766 11.708 7.322 1.00 0.44 C ATOM 167 O PRO A 12 -4.868 10.835 8.191 1.00 0.41 O ATOM 168 CB PRO A 12 -6.014 13.869 7.480 1.00 0.50 C ATOM 169 CG PRO A 12 -7.349 14.007 8.141 1.00 0.55 C ATOM 170 CD PRO A 12 -7.872 12.615 8.370 1.00 0.48 C ATOM 0 HA PRO A 12 -5.951 12.490 5.766 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.206 13.984 8.203 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.873 14.637 6.720 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.258 14.545 9.085 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -8.033 14.578 7.513 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.612 12.246 9.362 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.958 12.575 8.290 1.00 0.48 H new ATOM 178 N LEU A 13 -3.620 12.046 6.747 1.00 0.50 N ATOM 179 CA LEU A 13 -2.323 11.472 7.135 1.00 0.51 C ATOM 180 C LEU A 13 -2.200 11.455 8.650 1.00 0.49 C ATOM 181 O LEU A 13 -1.664 10.541 9.258 1.00 0.48 O ATOM 182 CB LEU A 13 -1.222 12.380 6.564 1.00 0.61 C ATOM 183 CG LEU A 13 0.151 11.742 6.310 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.696 11.057 7.553 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.067 10.782 5.134 1.00 0.74 C ATOM 0 H LEU A 13 -3.555 12.730 5.993 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.234 10.454 6.756 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.581 12.795 5.622 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.084 13.216 7.249 1.00 0.61 H new ATOM 0 HG LEU A 13 0.855 12.536 6.060 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.669 10.619 7.330 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.803 11.788 8.354 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.008 10.272 7.867 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.045 10.333 4.960 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.658 9.998 5.355 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.247 11.325 4.243 1.00 0.74 H new ATOM 197 N ILE A 14 -2.757 12.465 9.245 1.00 0.52 N ATOM 198 CA ILE A 14 -2.550 12.746 10.637 1.00 0.56 C ATOM 199 C ILE A 14 -3.301 11.765 11.550 1.00 0.54 C ATOM 200 O ILE A 14 -3.201 11.846 12.776 1.00 0.61 O ATOM 201 CB ILE A 14 -3.001 14.192 10.899 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.534 14.268 10.943 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.460 15.084 9.783 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.087 15.670 10.798 1.00 1.05 C ATOM 0 H ILE A 14 -3.375 13.126 8.775 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.492 12.625 10.871 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.614 14.531 11.860 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.941 13.644 10.147 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.881 13.848 11.887 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.773 16.114 9.956 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.371 15.032 9.772 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.849 14.743 8.824 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -6.176 15.638 10.839 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.711 16.295 11.608 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.772 16.088 9.842 1.00 1.05 H new ATOM 216 N SER A 15 -4.047 10.841 10.948 1.00 0.46 N ATOM 217 CA SER A 15 -4.787 9.836 11.706 1.00 0.46 C ATOM 218 C SER A 15 -3.958 8.567 11.856 1.00 0.46 C ATOM 219 O SER A 15 -4.302 7.674 12.632 1.00 0.51 O ATOM 220 CB SER A 15 -6.103 9.497 11.003 1.00 0.42 C ATOM 221 OG SER A 15 -6.740 10.671 10.524 1.00 0.92 O ATOM 0 H SER A 15 -4.155 10.768 9.936 1.00 0.46 H new ATOM 0 HA SER A 15 -5.001 10.247 12.693 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.911 8.818 10.172 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.765 8.976 11.694 1.00 0.42 H new ATOM 0 HG SER A 15 -6.307 10.963 9.695 1.00 0.92 H new ATOM 227 N VAL A 16 -2.869 8.494 11.111 1.00 0.43 N ATOM 228 CA VAL A 16 -2.059 7.292 11.072 1.00 0.43 C ATOM 229 C VAL A 16 -0.700 7.520 11.739 1.00 0.45 C ATOM 230 O VAL A 16 -0.033 8.528 11.489 1.00 0.50 O ATOM 231 CB VAL A 16 -1.866 6.805 9.610 1.00 0.45 C ATOM 232 CG1 VAL A 16 -1.069 7.804 8.785 1.00 0.54 C ATOM 233 CG2 VAL A 16 -1.200 5.440 9.572 1.00 0.45 C ATOM 0 H VAL A 16 -2.526 9.255 10.525 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.587 6.518 11.630 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.858 6.720 9.167 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.955 7.428 7.768 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.595 8.758 8.762 1.00 0.54 H new ATOM 0 HG13 VAL A 16 -0.085 7.943 9.233 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -1.077 5.124 8.536 1.00 0.45 H new ATOM 0 HG22 VAL A 16 -0.223 5.498 10.052 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.821 4.717 10.101 1.00 0.45 H new ATOM 243 N PRO A 17 -0.299 6.611 12.645 1.00 0.46 N ATOM 244 CA PRO A 17 1.046 6.618 13.222 1.00 0.50 C ATOM 245 C PRO A 17 2.105 6.434 12.138 1.00 0.43 C ATOM 246 O PRO A 17 1.829 5.861 11.086 1.00 0.48 O ATOM 247 CB PRO A 17 1.047 5.426 14.188 1.00 0.59 C ATOM 248 CG PRO A 17 -0.118 4.586 13.785 1.00 0.53 C ATOM 249 CD PRO A 17 -1.128 5.527 13.191 1.00 0.50 C ATOM 0 HA PRO A 17 1.281 7.560 13.718 1.00 0.50 H new ATOM 0 HB2 PRO A 17 1.979 4.865 14.118 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.952 5.758 15.222 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.181 3.828 13.061 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.534 4.060 14.644 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.721 5.043 12.414 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.827 5.894 13.943 1.00 0.50 H new ATOM 257 N LEU A 18 3.309 6.917 12.390 1.00 0.42 N ATOM 258 CA LEU A 18 4.349 6.900 11.377 1.00 0.38 C ATOM 259 C LEU A 18 5.662 6.381 11.950 1.00 0.33 C ATOM 260 O LEU A 18 5.910 6.484 13.154 1.00 0.35 O ATOM 261 CB LEU A 18 4.540 8.313 10.818 1.00 0.46 C ATOM 262 CG LEU A 18 5.477 8.415 9.615 1.00 0.63 C ATOM 263 CD1 LEU A 18 4.951 7.574 8.463 1.00 1.15 C ATOM 264 CD2 LEU A 18 5.645 9.866 9.192 1.00 1.07 C ATOM 0 H LEU A 18 3.590 7.324 13.282 1.00 0.42 H new ATOM 0 HA LEU A 18 4.043 6.228 10.575 1.00 0.38 H new ATOM 0 HB2 LEU A 18 3.565 8.709 10.534 1.00 0.46 H new ATOM 0 HB3 LEU A 18 4.924 8.952 11.613 1.00 0.46 H new ATOM 0 HG LEU A 18 6.455 8.030 9.902 1.00 0.63 H new ATOM 0 HD11 LEU A 18 5.629 7.656 7.613 1.00 1.15 H new ATOM 0 HD12 LEU A 18 4.885 6.532 8.774 1.00 1.15 H new ATOM 0 HD13 LEU A 18 3.962 7.930 8.174 1.00 1.15 H new ATOM 0 HD21 LEU A 18 6.315 9.920 8.334 1.00 1.07 H new ATOM 0 HD22 LEU A 18 4.674 10.281 8.920 1.00 1.07 H new ATOM 0 HD23 LEU A 18 6.066 10.439 10.018 1.00 1.07 H new ATOM 276 N GLN A 19 6.483 5.797 11.083 1.00 0.36 N ATOM 277 CA GLN A 19 7.810 5.343 11.472 1.00 0.47 C ATOM 278 C GLN A 19 8.734 6.551 11.614 1.00 0.62 C ATOM 279 O GLN A 19 9.008 7.244 10.632 1.00 0.68 O ATOM 280 CB GLN A 19 8.376 4.371 10.424 1.00 0.49 C ATOM 281 CG GLN A 19 9.362 3.352 10.982 1.00 1.04 C ATOM 282 CD GLN A 19 10.715 3.933 11.340 1.00 2.08 C ATOM 283 OE1 GLN A 19 11.165 4.899 10.738 1.00 2.68 O ATOM 284 NE2 GLN A 19 11.376 3.333 12.317 1.00 2.93 N ATOM 0 H GLN A 19 6.250 5.628 10.104 1.00 0.36 H new ATOM 0 HA GLN A 19 7.742 4.819 12.425 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.549 3.839 9.954 1.00 0.49 H new ATOM 0 HB3 GLN A 19 8.870 4.946 9.641 1.00 0.49 H new ATOM 0 HG2 GLN A 19 8.929 2.892 11.871 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.502 2.558 10.248 1.00 1.04 H new ATOM 0 HE21 GLN A 19 10.965 2.530 12.793 1.00 2.93 H new ATOM 0 HE22 GLN A 19 12.297 3.673 12.594 1.00 2.93 H new ATOM 293 N PRO A 20 9.203 6.831 12.837 1.00 0.92 N ATOM 294 CA PRO A 20 10.096 7.944 13.099 1.00 1.20 C ATOM 295 C PRO A 20 11.555 7.547 12.926 1.00 1.19 C ATOM 296 O PRO A 20 12.031 6.592 13.545 1.00 1.36 O ATOM 297 CB PRO A 20 9.800 8.301 14.555 1.00 1.58 C ATOM 298 CG PRO A 20 9.128 7.102 15.158 1.00 1.65 C ATOM 299 CD PRO A 20 8.913 6.085 14.063 1.00 1.15 C ATOM 0 HA PRO A 20 9.940 8.774 12.411 1.00 1.20 H new ATOM 0 HB2 PRO A 20 10.719 8.541 15.090 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.156 9.179 14.616 1.00 1.58 H new ATOM 0 HG2 PRO A 20 9.743 6.681 15.953 1.00 1.65 H new ATOM 0 HG3 PRO A 20 8.176 7.385 15.607 1.00 1.65 H new ATOM 0 HD2 PRO A 20 9.576 5.228 14.177 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.893 5.702 14.067 1.00 1.15 H new ATOM 307 N GLY A 21 12.260 8.285 12.093 1.00 1.32 N ATOM 308 CA GLY A 21 13.621 7.930 11.766 1.00 1.38 C ATOM 309 C GLY A 21 13.660 6.919 10.645 1.00 1.06 C ATOM 310 O GLY A 21 14.381 5.923 10.714 1.00 1.29 O ATOM 0 H GLY A 21 11.914 9.128 11.634 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.174 8.823 11.475 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.116 7.521 12.647 1.00 1.38 H new ATOM 314 N PHE A 22 12.851 7.167 9.623 1.00 0.69 N ATOM 315 CA PHE A 22 12.771 6.281 8.473 1.00 0.51 C ATOM 316 C PHE A 22 14.063 6.339 7.664 1.00 0.51 C ATOM 317 O PHE A 22 14.620 7.413 7.438 1.00 0.68 O ATOM 318 CB PHE A 22 11.568 6.653 7.597 1.00 0.71 C ATOM 319 CG PHE A 22 11.371 5.744 6.416 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.613 4.586 6.527 1.00 0.91 C ATOM 321 CD2 PHE A 22 11.942 6.050 5.190 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.433 3.756 5.438 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.767 5.221 4.101 1.00 2.66 C ATOM 324 CZ PHE A 22 11.012 4.072 4.225 1.00 2.32 C ATOM 0 H PHE A 22 12.238 7.980 9.569 1.00 0.69 H new ATOM 0 HA PHE A 22 12.636 5.260 8.829 1.00 0.51 H new ATOM 0 HB2 PHE A 22 10.666 6.638 8.209 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.693 7.675 7.240 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.160 4.332 7.474 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.531 6.949 5.086 1.00 2.08 H new ATOM 0 HE1 PHE A 22 9.839 2.859 5.535 1.00 1.43 H new ATOM 0 HE2 PHE A 22 12.220 5.471 3.153 1.00 2.66 H new ATOM 0 HZ PHE A 22 10.874 3.421 3.374 1.00 2.32 H new ATOM 334 N TRP A 23 14.530 5.179 7.226 1.00 0.48 N ATOM 335 CA TRP A 23 15.791 5.093 6.505 1.00 0.57 C ATOM 336 C TRP A 23 15.573 4.593 5.083 1.00 0.50 C ATOM 337 O TRP A 23 15.140 3.458 4.867 1.00 0.51 O ATOM 338 CB TRP A 23 16.763 4.165 7.235 1.00 0.78 C ATOM 339 CG TRP A 23 17.061 4.595 8.639 1.00 1.35 C ATOM 340 CD1 TRP A 23 16.726 3.933 9.786 1.00 2.36 C ATOM 341 CD2 TRP A 23 17.744 5.786 9.046 1.00 2.01 C ATOM 342 NE1 TRP A 23 17.165 4.637 10.880 1.00 3.05 N ATOM 343 CE2 TRP A 23 17.789 5.779 10.453 1.00 2.82 C ATOM 344 CE3 TRP A 23 18.323 6.856 8.359 1.00 2.70 C ATOM 345 CZ2 TRP A 23 18.388 6.800 11.184 1.00 3.70 C ATOM 346 CZ3 TRP A 23 18.916 7.871 9.087 1.00 3.72 C ATOM 347 CH2 TRP A 23 18.945 7.835 10.487 1.00 4.03 C ATOM 0 H TRP A 23 14.055 4.286 7.357 1.00 0.48 H new ATOM 0 HA TRP A 23 16.219 6.095 6.460 1.00 0.57 H new ATOM 0 HB2 TRP A 23 16.347 3.158 7.253 1.00 0.78 H new ATOM 0 HB3 TRP A 23 17.696 4.115 6.673 1.00 0.78 H new ATOM 0 HD1 TRP A 23 16.194 2.994 9.826 1.00 2.36 H new ATOM 0 HE1 TRP A 23 17.046 4.355 11.853 1.00 3.05 H new ATOM 0 HE3 TRP A 23 18.308 6.890 7.280 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 18.412 6.775 12.263 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 19.364 8.705 8.568 1.00 3.72 H new ATOM 0 HH2 TRP A 23 19.418 8.642 11.027 1.00 4.03 H new ATOM 358 N THR A 24 15.889 5.469 4.130 1.00 0.50 N ATOM 359 CA THR A 24 15.819 5.175 2.701 1.00 0.47 C ATOM 360 C THR A 24 16.459 3.835 2.352 1.00 0.46 C ATOM 361 O THR A 24 15.862 3.013 1.665 1.00 0.48 O ATOM 362 CB THR A 24 16.532 6.282 1.905 1.00 0.50 C ATOM 363 OG1 THR A 24 17.452 6.988 2.751 1.00 0.58 O ATOM 364 CG2 THR A 24 15.534 7.253 1.312 1.00 0.53 C ATOM 0 H THR A 24 16.206 6.417 4.333 1.00 0.50 H new ATOM 0 HA THR A 24 14.762 5.127 2.437 1.00 0.47 H new ATOM 0 HB THR A 24 17.081 5.810 1.090 1.00 0.50 H new ATOM 0 HG1 THR A 24 17.901 7.689 2.233 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.065 8.025 0.755 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.861 6.719 0.641 1.00 0.53 H new ATOM 0 HG23 THR A 24 14.957 7.715 2.112 1.00 0.53 H new ATOM 372 N GLU A 25 17.674 3.630 2.838 1.00 0.53 N ATOM 373 CA GLU A 25 18.464 2.458 2.482 1.00 0.60 C ATOM 374 C GLU A 25 17.956 1.188 3.166 1.00 0.60 C ATOM 375 O GLU A 25 17.857 0.129 2.545 1.00 0.63 O ATOM 376 CB GLU A 25 19.923 2.702 2.874 1.00 0.71 C ATOM 377 CG GLU A 25 20.848 1.521 2.631 1.00 1.31 C ATOM 378 CD GLU A 25 22.191 1.706 3.303 1.00 1.63 C ATOM 379 OE1 GLU A 25 23.071 2.365 2.715 1.00 1.94 O ATOM 380 OE2 GLU A 25 22.367 1.215 4.440 1.00 1.88 O ATOM 0 H GLU A 25 18.139 4.266 3.486 1.00 0.53 H new ATOM 0 HA GLU A 25 18.374 2.307 1.406 1.00 0.60 H new ATOM 0 HB2 GLU A 25 20.297 3.561 2.316 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.963 2.967 3.931 1.00 0.71 H new ATOM 0 HG2 GLU A 25 20.379 0.610 3.003 1.00 1.31 H new ATOM 0 HG3 GLU A 25 20.994 1.389 1.559 1.00 1.31 H new ATOM 387 N ARG A 26 17.619 1.307 4.440 1.00 0.64 N ATOM 388 CA ARG A 26 17.369 0.138 5.279 1.00 0.76 C ATOM 389 C ARG A 26 15.954 -0.405 5.100 1.00 0.71 C ATOM 390 O ARG A 26 15.700 -1.584 5.337 1.00 0.87 O ATOM 391 CB ARG A 26 17.633 0.495 6.741 1.00 0.96 C ATOM 392 CG ARG A 26 19.011 1.104 6.946 1.00 1.62 C ATOM 393 CD ARG A 26 19.234 1.582 8.370 1.00 2.07 C ATOM 394 NE ARG A 26 20.412 2.444 8.455 1.00 2.61 N ATOM 395 CZ ARG A 26 20.780 3.119 9.542 1.00 3.42 C ATOM 396 NH1 ARG A 26 20.078 3.022 10.663 1.00 3.88 N ATOM 397 NH2 ARG A 26 21.854 3.897 9.504 1.00 4.18 N ATOM 0 H ARG A 26 17.511 2.201 4.920 1.00 0.64 H new ATOM 0 HA ARG A 26 18.050 -0.654 4.969 1.00 0.76 H new ATOM 0 HB2 ARG A 26 16.873 1.197 7.084 1.00 0.96 H new ATOM 0 HB3 ARG A 26 17.539 -0.401 7.354 1.00 0.96 H new ATOM 0 HG2 ARG A 26 19.772 0.366 6.691 1.00 1.62 H new ATOM 0 HG3 ARG A 26 19.139 1.942 6.261 1.00 1.62 H new ATOM 0 HD2 ARG A 26 18.355 2.126 8.717 1.00 2.07 H new ATOM 0 HD3 ARG A 26 19.359 0.724 9.030 1.00 2.07 H new ATOM 0 HE ARG A 26 20.993 2.535 7.622 1.00 2.61 H new ATOM 0 HH11 ARG A 26 19.250 2.427 10.696 1.00 3.88 H new ATOM 0 HH12 ARG A 26 20.366 3.542 11.492 1.00 3.88 H new ATOM 0 HH21 ARG A 26 22.396 3.977 8.643 1.00 4.18 H new ATOM 0 HH22 ARG A 26 22.138 4.415 10.335 1.00 4.18 H new ATOM 411 N PHE A 27 15.038 0.450 4.668 1.00 0.59 N ATOM 412 CA PHE A 27 13.655 0.031 4.448 1.00 0.61 C ATOM 413 C PHE A 27 13.423 -0.232 2.960 1.00 0.51 C ATOM 414 O PHE A 27 12.290 -0.375 2.498 1.00 0.72 O ATOM 415 CB PHE A 27 12.676 1.092 4.974 1.00 0.71 C ATOM 416 CG PHE A 27 12.704 1.286 6.477 1.00 1.11 C ATOM 417 CD1 PHE A 27 13.893 1.561 7.138 1.00 1.74 C ATOM 418 CD2 PHE A 27 11.537 1.196 7.229 1.00 0.95 C ATOM 419 CE1 PHE A 27 13.921 1.741 8.508 1.00 2.21 C ATOM 420 CE2 PHE A 27 11.562 1.376 8.598 1.00 1.39 C ATOM 421 CZ PHE A 27 12.753 1.647 9.239 1.00 2.03 C ATOM 0 H PHE A 27 15.222 1.432 4.463 1.00 0.59 H new ATOM 0 HA PHE A 27 13.475 -0.892 4.999 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.900 2.044 4.494 1.00 0.71 H new ATOM 0 HB3 PHE A 27 11.665 0.815 4.675 1.00 0.71 H new ATOM 0 HD1 PHE A 27 14.810 1.635 6.573 1.00 1.74 H new ATOM 0 HD2 PHE A 27 10.600 0.983 6.736 1.00 0.95 H new ATOM 0 HE1 PHE A 27 14.855 1.955 9.006 1.00 2.21 H new ATOM 0 HE2 PHE A 27 10.647 1.304 9.168 1.00 1.39 H new ATOM 0 HZ PHE A 27 12.772 1.785 10.310 1.00 2.03 H new ATOM 431 N GLN A 28 14.523 -0.307 2.219 1.00 0.40 N ATOM 432 CA GLN A 28 14.489 -0.550 0.784 1.00 0.31 C ATOM 433 C GLN A 28 14.524 -2.048 0.488 1.00 0.30 C ATOM 434 O GLN A 28 15.127 -2.824 1.235 1.00 0.37 O ATOM 435 CB GLN A 28 15.669 0.190 0.123 1.00 0.28 C ATOM 436 CG GLN A 28 16.053 -0.278 -1.279 1.00 0.45 C ATOM 437 CD GLN A 28 17.013 -1.460 -1.276 1.00 0.77 C ATOM 438 OE1 GLN A 28 17.849 -1.546 -0.249 1.00 1.73 O flip ATOM 439 NE2 GLN A 28 17.003 -2.286 -2.188 1.00 1.23 N flip ATOM 0 H GLN A 28 15.464 -0.201 2.598 1.00 0.40 H new ATOM 0 HA GLN A 28 13.558 -0.167 0.367 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.426 1.251 0.076 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.541 0.091 0.769 1.00 0.28 H new ATOM 0 HG2 GLN A 28 15.150 -0.554 -1.823 1.00 0.45 H new ATOM 0 HG3 GLN A 28 16.510 0.551 -1.819 1.00 0.45 H new ATOM 0 HE21 GLN A 28 16.345 -2.185 -2.960 1.00 1.23 H new ATOM 0 HE22 GLN A 28 17.653 -3.072 -2.171 1.00 1.23 H new ATOM 448 N GLY A 29 13.868 -2.444 -0.595 1.00 0.29 N ATOM 449 CA GLY A 29 13.867 -3.838 -0.999 1.00 0.32 C ATOM 450 C GLY A 29 12.484 -4.361 -1.313 1.00 0.30 C ATOM 451 O GLY A 29 11.603 -3.601 -1.725 1.00 0.28 O ATOM 0 H GLY A 29 13.335 -1.823 -1.203 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.502 -3.957 -1.877 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.306 -4.441 -0.204 1.00 0.32 H new ATOM 455 N ARG A 30 12.296 -5.662 -1.114 1.00 0.35 N ATOM 456 CA ARG A 30 11.048 -6.326 -1.472 1.00 0.36 C ATOM 457 C ARG A 30 10.002 -6.154 -0.382 1.00 0.39 C ATOM 458 O ARG A 30 10.271 -6.392 0.794 1.00 0.51 O ATOM 459 CB ARG A 30 11.258 -7.828 -1.723 1.00 0.46 C ATOM 460 CG ARG A 30 12.017 -8.172 -2.997 1.00 0.51 C ATOM 461 CD ARG A 30 13.493 -7.827 -2.886 1.00 0.66 C ATOM 462 NE ARG A 30 14.315 -8.604 -3.809 1.00 1.20 N ATOM 463 CZ ARG A 30 15.636 -8.731 -3.709 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.298 -8.117 -2.730 1.00 1.65 N ATOM 465 NH2 ARG A 30 16.290 -9.491 -4.578 1.00 2.57 N ATOM 0 H ARG A 30 12.997 -6.280 -0.704 1.00 0.35 H new ATOM 0 HA ARG A 30 10.698 -5.856 -2.391 1.00 0.36 H new ATOM 0 HB2 ARG A 30 11.795 -8.250 -0.874 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.283 -8.314 -1.757 1.00 0.46 H new ATOM 0 HG2 ARG A 30 11.907 -9.235 -3.209 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.580 -7.633 -3.837 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.631 -6.765 -3.086 1.00 0.66 H new ATOM 0 HD3 ARG A 30 13.830 -8.006 -1.865 1.00 0.66 H new ATOM 0 HE ARG A 30 13.847 -9.080 -4.580 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.793 -7.546 -2.052 1.00 1.65 H new ATOM 0 HH12 ARG A 30 17.310 -8.218 -2.658 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.780 -9.974 -5.318 1.00 2.57 H new ATOM 0 HH22 ARG A 30 17.302 -9.592 -4.506 1.00 2.57 H new ATOM 479 N TRP A 31 8.817 -5.730 -0.784 1.00 0.34 N ATOM 480 CA TRP A 31 7.679 -5.659 0.114 1.00 0.42 C ATOM 481 C TRP A 31 6.492 -6.399 -0.492 1.00 0.34 C ATOM 482 O TRP A 31 5.938 -5.981 -1.511 1.00 0.34 O ATOM 483 CB TRP A 31 7.318 -4.203 0.407 1.00 0.55 C ATOM 484 CG TRP A 31 8.354 -3.487 1.222 1.00 0.85 C ATOM 485 CD1 TRP A 31 9.333 -2.648 0.766 1.00 1.94 C ATOM 486 CD2 TRP A 31 8.519 -3.564 2.641 1.00 0.74 C ATOM 487 NE1 TRP A 31 10.086 -2.189 1.821 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.608 -2.739 2.981 1.00 0.91 C ATOM 489 CE3 TRP A 31 7.849 -4.248 3.658 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.039 -2.580 4.295 1.00 0.90 C ATOM 491 CZ3 TRP A 31 8.279 -4.091 4.961 1.00 2.36 C ATOM 492 CH2 TRP A 31 9.363 -3.262 5.269 1.00 1.70 C ATOM 0 H TRP A 31 8.617 -5.427 -1.737 1.00 0.34 H new ATOM 0 HA TRP A 31 7.943 -6.137 1.057 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.178 -3.674 -0.536 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.365 -4.171 0.935 1.00 0.55 H new ATOM 0 HD1 TRP A 31 9.491 -2.385 -0.269 1.00 1.94 H new ATOM 0 HE1 TRP A 31 10.873 -1.544 1.751 1.00 1.91 H new ATOM 0 HE3 TRP A 31 7.010 -4.888 3.429 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 10.876 -1.942 4.536 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 7.770 -4.617 5.755 1.00 2.36 H new ATOM 0 HH2 TRP A 31 9.673 -3.158 6.298 1.00 1.70 H new ATOM 503 N PHE A 32 6.129 -7.514 0.122 1.00 0.31 N ATOM 504 CA PHE A 32 5.035 -8.339 -0.368 1.00 0.30 C ATOM 505 C PHE A 32 3.727 -7.974 0.312 1.00 0.29 C ATOM 506 O PHE A 32 3.692 -7.728 1.516 1.00 0.33 O ATOM 507 CB PHE A 32 5.341 -9.818 -0.147 1.00 0.38 C ATOM 508 CG PHE A 32 6.394 -10.349 -1.071 1.00 0.63 C ATOM 509 CD1 PHE A 32 6.058 -10.723 -2.358 1.00 0.68 C ATOM 510 CD2 PHE A 32 7.712 -10.476 -0.660 1.00 1.10 C ATOM 511 CE1 PHE A 32 7.010 -11.214 -3.223 1.00 1.17 C ATOM 512 CE2 PHE A 32 8.675 -10.968 -1.522 1.00 1.62 C ATOM 513 CZ PHE A 32 8.323 -11.338 -2.808 1.00 1.64 C ATOM 0 H PHE A 32 6.579 -7.870 0.965 1.00 0.31 H new ATOM 0 HA PHE A 32 4.930 -8.153 -1.437 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.664 -9.965 0.884 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.426 -10.395 -0.280 1.00 0.38 H new ATOM 0 HD1 PHE A 32 5.035 -10.629 -2.690 1.00 0.68 H new ATOM 0 HD2 PHE A 32 7.989 -10.188 0.343 1.00 1.10 H new ATOM 0 HE1 PHE A 32 6.731 -11.502 -4.226 1.00 1.17 H new ATOM 0 HE2 PHE A 32 9.699 -11.063 -1.192 1.00 1.62 H new ATOM 0 HZ PHE A 32 9.071 -11.722 -3.485 1.00 1.64 H new ATOM 523 N VAL A 33 2.660 -7.935 -0.468 1.00 0.28 N ATOM 524 CA VAL A 33 1.342 -7.621 0.064 1.00 0.30 C ATOM 525 C VAL A 33 0.696 -8.870 0.632 1.00 0.31 C ATOM 526 O VAL A 33 0.088 -9.649 -0.097 1.00 0.52 O ATOM 527 CB VAL A 33 0.405 -7.039 -1.006 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.727 -6.256 -0.362 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.176 -6.185 -1.988 1.00 0.74 C ATOM 0 H VAL A 33 2.679 -8.117 -1.472 1.00 0.28 H new ATOM 0 HA VAL A 33 1.490 -6.873 0.843 1.00 0.30 H new ATOM 0 HB VAL A 33 -0.037 -7.866 -1.562 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.378 -5.853 -1.138 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -1.302 -6.916 0.288 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.314 -5.437 0.227 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.492 -5.784 -2.736 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.656 -5.363 -1.457 1.00 0.74 H new ATOM 0 HG23 VAL A 33 1.936 -6.792 -2.480 1.00 0.74 H new ATOM 539 N VAL A 34 0.826 -9.057 1.931 1.00 0.20 N ATOM 540 CA VAL A 34 0.284 -10.235 2.582 1.00 0.25 C ATOM 541 C VAL A 34 -1.130 -9.948 3.101 1.00 0.28 C ATOM 542 O VAL A 34 -1.821 -10.836 3.605 1.00 0.47 O ATOM 543 CB VAL A 34 1.210 -10.719 3.723 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.808 -12.104 4.214 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.657 -10.730 3.255 1.00 0.29 C ATOM 0 H VAL A 34 1.303 -8.408 2.557 1.00 0.20 H new ATOM 0 HA VAL A 34 0.226 -11.038 1.848 1.00 0.25 H new ATOM 0 HB VAL A 34 1.107 -10.024 4.556 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.478 -12.415 5.015 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.215 -12.075 4.588 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.873 -12.815 3.390 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.299 -11.072 4.066 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.759 -11.403 2.403 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.951 -9.723 2.959 1.00 0.29 H new ATOM 555 N GLY A 35 -1.571 -8.709 2.937 1.00 0.19 N ATOM 556 CA GLY A 35 -2.938 -8.352 3.267 1.00 0.19 C ATOM 557 C GLY A 35 -3.291 -6.975 2.750 1.00 0.17 C ATOM 558 O GLY A 35 -2.394 -6.188 2.438 1.00 0.18 O ATOM 0 H GLY A 35 -1.004 -7.940 2.579 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.620 -9.088 2.841 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.072 -8.381 4.348 1.00 0.19 H new ATOM 562 N LEU A 36 -4.581 -6.668 2.659 1.00 0.17 N ATOM 563 CA LEU A 36 -5.009 -5.383 2.126 1.00 0.18 C ATOM 564 C LEU A 36 -6.408 -5.019 2.607 1.00 0.16 C ATOM 565 O LEU A 36 -7.333 -5.814 2.537 1.00 0.18 O ATOM 566 CB LEU A 36 -4.999 -5.406 0.602 1.00 0.20 C ATOM 567 CG LEU A 36 -5.108 -4.034 -0.068 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.774 -3.302 -0.027 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.595 -4.189 -1.490 1.00 0.30 C ATOM 0 H LEU A 36 -5.341 -7.286 2.945 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.306 -4.633 2.488 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.079 -5.885 0.267 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -5.825 -6.028 0.258 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.832 -3.434 0.484 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.877 -2.330 -0.509 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.467 -3.162 1.010 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.021 -3.889 -0.552 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.669 -3.207 -1.958 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.892 -4.806 -2.050 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.575 -4.666 -1.489 1.00 0.30 H new ATOM 581 N ALA A 37 -6.542 -3.797 3.061 1.00 0.17 N ATOM 582 CA ALA A 37 -7.811 -3.257 3.529 1.00 0.18 C ATOM 583 C ALA A 37 -8.038 -1.942 2.825 1.00 0.24 C ATOM 584 O ALA A 37 -7.079 -1.311 2.415 1.00 0.43 O ATOM 585 CB ALA A 37 -7.771 -3.015 5.033 1.00 0.25 C ATOM 0 H ALA A 37 -5.768 -3.135 3.120 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.612 -3.964 3.316 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.729 -2.612 5.362 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.577 -3.956 5.548 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.978 -2.304 5.266 1.00 0.25 H new ATOM 591 N GLY A 38 -9.276 -1.532 2.653 1.00 0.22 N ATOM 592 CA GLY A 38 -9.514 -0.243 2.047 1.00 0.26 C ATOM 593 C GLY A 38 -10.797 -0.168 1.273 1.00 0.25 C ATOM 594 O GLY A 38 -11.244 -1.149 0.696 1.00 0.26 O ATOM 0 H GLY A 38 -10.111 -2.056 2.916 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.525 0.519 2.827 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.684 -0.005 1.381 1.00 0.26 H new ATOM 598 N ASN A 39 -11.382 1.018 1.243 1.00 0.26 N ATOM 599 CA ASN A 39 -12.639 1.230 0.547 1.00 0.27 C ATOM 600 C ASN A 39 -12.475 0.972 -0.954 1.00 0.32 C ATOM 601 O ASN A 39 -13.413 0.560 -1.635 1.00 0.40 O ATOM 602 CB ASN A 39 -13.152 2.646 0.821 1.00 0.31 C ATOM 603 CG ASN A 39 -14.151 3.135 -0.217 1.00 1.08 C ATOM 604 OD1 ASN A 39 -15.427 2.859 0.002 1.00 1.94 O flip ATOM 605 ND2 ASN A 39 -13.773 3.759 -1.206 1.00 1.73 N flip ATOM 0 H ASN A 39 -11.004 1.851 1.694 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.379 0.522 0.920 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.619 2.672 1.805 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.306 3.332 0.852 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -12.780 3.952 -1.339 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -14.452 4.084 -1.894 1.00 1.73 H new ATOM 612 N ALA A 40 -11.260 1.181 -1.451 1.00 0.34 N ATOM 613 CA ALA A 40 -10.950 0.978 -2.863 1.00 0.41 C ATOM 614 C ALA A 40 -10.452 -0.446 -3.118 1.00 0.39 C ATOM 615 O ALA A 40 -10.131 -0.815 -4.248 1.00 0.45 O ATOM 616 CB ALA A 40 -9.912 1.994 -3.303 1.00 0.46 C ATOM 0 H ALA A 40 -10.467 1.494 -0.891 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.860 1.118 -3.446 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.680 1.843 -4.357 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -10.304 3.001 -3.158 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -9.006 1.869 -2.710 1.00 0.46 H new ATOM 622 N VAL A 41 -10.385 -1.232 -2.053 1.00 0.34 N ATOM 623 CA VAL A 41 -9.971 -2.634 -2.127 1.00 0.33 C ATOM 624 C VAL A 41 -10.971 -3.481 -2.921 1.00 0.42 C ATOM 625 O VAL A 41 -12.187 -3.303 -2.808 1.00 0.46 O ATOM 626 CB VAL A 41 -9.785 -3.221 -0.697 1.00 0.28 C ATOM 627 CG1 VAL A 41 -10.018 -4.732 -0.647 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.391 -2.893 -0.186 1.00 0.30 C ATOM 0 H VAL A 41 -10.616 -0.919 -1.110 1.00 0.34 H new ATOM 0 HA VAL A 41 -9.017 -2.667 -2.654 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.537 -2.760 -0.056 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.875 -5.089 0.373 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -11.035 -4.954 -0.970 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.310 -5.231 -1.308 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.264 -3.305 0.815 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.647 -3.327 -0.854 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.261 -1.811 -0.152 1.00 0.30 H new ATOM 638 N GLN A 42 -10.443 -4.388 -3.741 1.00 0.55 N ATOM 639 CA GLN A 42 -11.269 -5.332 -4.482 1.00 0.69 C ATOM 640 C GLN A 42 -11.693 -6.471 -3.555 1.00 0.60 C ATOM 641 O GLN A 42 -11.096 -7.550 -3.543 1.00 0.70 O ATOM 642 CB GLN A 42 -10.500 -5.878 -5.687 1.00 0.93 C ATOM 643 CG GLN A 42 -11.359 -6.687 -6.643 1.00 1.49 C ATOM 644 CD GLN A 42 -12.500 -5.875 -7.221 1.00 1.84 C ATOM 645 OE1 GLN A 42 -13.596 -5.831 -6.660 1.00 2.44 O ATOM 646 NE2 GLN A 42 -12.250 -5.220 -8.342 1.00 2.35 N ATOM 0 H GLN A 42 -9.442 -4.487 -3.908 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.159 -4.822 -4.850 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -10.053 -5.045 -6.230 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -9.681 -6.503 -5.331 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -10.738 -7.065 -7.455 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -11.762 -7.554 -6.120 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -11.329 -5.283 -8.775 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -12.979 -4.652 -8.774 1.00 2.35 H new ATOM 655 N LYS A 43 -12.717 -6.202 -2.769 1.00 0.50 N ATOM 656 CA LYS A 43 -13.171 -7.113 -1.732 1.00 0.48 C ATOM 657 C LYS A 43 -14.495 -7.750 -2.163 1.00 0.59 C ATOM 658 O LYS A 43 -15.569 -7.198 -1.927 1.00 0.69 O ATOM 659 CB LYS A 43 -13.309 -6.303 -0.434 1.00 0.43 C ATOM 660 CG LYS A 43 -13.047 -7.043 0.860 1.00 0.57 C ATOM 661 CD LYS A 43 -13.846 -8.307 1.048 1.00 0.55 C ATOM 662 CE LYS A 43 -13.145 -9.148 2.091 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.950 -10.305 2.548 1.00 0.97 N ATOM 0 H LYS A 43 -13.261 -5.342 -2.831 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.464 -7.926 -1.567 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.624 -5.457 -0.487 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.319 -5.894 -0.394 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -11.987 -7.291 0.910 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.257 -6.372 1.693 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -14.862 -8.073 1.366 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.924 -8.852 0.108 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -12.201 -9.509 1.682 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.902 -8.522 2.949 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -14.273 -10.140 3.523 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.774 -10.422 1.925 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -13.368 -11.166 2.518 1.00 0.97 H new ATOM 677 N GLU A 44 -14.399 -8.910 -2.813 1.00 0.68 N ATOM 678 CA GLU A 44 -15.564 -9.570 -3.405 1.00 0.80 C ATOM 679 C GLU A 44 -16.408 -10.217 -2.322 1.00 0.76 C ATOM 680 O GLU A 44 -17.628 -10.052 -2.268 1.00 0.88 O ATOM 681 CB GLU A 44 -15.097 -10.615 -4.443 1.00 0.94 C ATOM 682 CG GLU A 44 -14.935 -12.049 -3.947 1.00 0.95 C ATOM 683 CD GLU A 44 -13.588 -12.281 -3.326 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.193 -11.507 -2.433 1.00 2.22 O ATOM 685 OE2 GLU A 44 -12.917 -13.246 -3.740 1.00 2.00 O ATOM 0 H GLU A 44 -13.522 -9.414 -2.944 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.181 -8.828 -3.913 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -15.811 -10.619 -5.267 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -14.141 -10.286 -4.851 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -15.714 -12.270 -3.217 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -15.074 -12.738 -4.780 1.00 0.95 H new ATOM 692 N ARG A 45 -15.726 -10.939 -1.464 1.00 0.70 N ATOM 693 CA ARG A 45 -16.337 -11.645 -0.362 1.00 0.79 C ATOM 694 C ARG A 45 -15.245 -12.228 0.513 1.00 0.79 C ATOM 695 O ARG A 45 -15.450 -12.479 1.697 1.00 0.90 O ATOM 696 CB ARG A 45 -17.261 -12.764 -0.859 1.00 0.94 C ATOM 697 CG ARG A 45 -18.053 -13.418 0.260 1.00 1.54 C ATOM 698 CD ARG A 45 -18.965 -12.412 0.937 1.00 1.86 C ATOM 699 NE ARG A 45 -19.294 -12.797 2.303 1.00 2.25 N ATOM 700 CZ ARG A 45 -20.271 -12.238 3.011 1.00 2.90 C ATOM 701 NH1 ARG A 45 -21.096 -11.367 2.441 1.00 3.09 N ATOM 702 NH2 ARG A 45 -20.433 -12.562 4.285 1.00 3.78 N ATOM 0 H ARG A 45 -14.714 -11.054 -1.513 1.00 0.70 H new ATOM 0 HA ARG A 45 -16.944 -10.943 0.210 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -17.953 -12.356 -1.596 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -16.665 -13.522 -1.366 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -18.646 -14.240 -0.141 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -17.369 -13.846 0.993 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -18.483 -11.434 0.943 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -19.884 -12.311 0.359 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.744 -13.536 2.741 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -20.981 -11.125 1.457 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -21.844 -10.940 2.987 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -19.809 -13.240 4.722 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -21.182 -12.134 4.829 1.00 3.78 H new ATOM 716 N GLN A 46 -14.063 -12.407 -0.067 1.00 0.80 N ATOM 717 CA GLN A 46 -12.938 -12.957 0.676 1.00 0.94 C ATOM 718 C GLN A 46 -11.626 -12.317 0.241 1.00 0.86 C ATOM 719 O GLN A 46 -11.010 -11.575 1.005 1.00 0.94 O ATOM 720 CB GLN A 46 -12.873 -14.484 0.519 1.00 1.13 C ATOM 721 CG GLN A 46 -13.035 -14.962 -0.916 1.00 1.36 C ATOM 722 CD GLN A 46 -12.778 -16.447 -1.076 1.00 1.85 C ATOM 723 OE1 GLN A 46 -11.652 -16.869 -1.345 1.00 2.42 O ATOM 724 NE2 GLN A 46 -13.814 -17.251 -0.908 1.00 2.45 N ATOM 0 H GLN A 46 -13.861 -12.181 -1.041 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.092 -12.727 1.730 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -11.917 -14.839 0.904 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -13.652 -14.936 1.133 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.045 -14.734 -1.258 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -12.349 -14.409 -1.557 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -14.731 -16.862 -0.686 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -13.697 -18.260 -1.000 1.00 2.45 H new ATOM 733 N SER A 47 -11.253 -12.544 -1.010 1.00 0.79 N ATOM 734 CA SER A 47 -9.941 -12.161 -1.507 1.00 0.80 C ATOM 735 C SER A 47 -9.926 -12.180 -3.030 1.00 0.82 C ATOM 736 O SER A 47 -9.400 -13.111 -3.643 1.00 0.93 O ATOM 737 CB SER A 47 -8.850 -13.110 -0.980 1.00 0.93 C ATOM 738 OG SER A 47 -8.725 -13.053 0.431 1.00 1.58 O ATOM 0 H SER A 47 -11.847 -12.996 -1.705 1.00 0.79 H new ATOM 0 HA SER A 47 -9.734 -11.152 -1.150 1.00 0.80 H new ATOM 0 HB2 SER A 47 -9.083 -14.131 -1.281 1.00 0.93 H new ATOM 0 HB3 SER A 47 -7.895 -12.853 -1.438 1.00 0.93 H new ATOM 0 HG SER A 47 -8.023 -13.672 0.722 1.00 1.58 H new ATOM 744 N ARG A 48 -10.527 -11.171 -3.648 1.00 0.81 N ATOM 745 CA ARG A 48 -10.456 -11.044 -5.094 1.00 0.90 C ATOM 746 C ARG A 48 -9.165 -10.339 -5.463 1.00 0.92 C ATOM 747 O ARG A 48 -8.749 -10.316 -6.621 1.00 1.64 O ATOM 748 CB ARG A 48 -11.661 -10.288 -5.652 1.00 0.95 C ATOM 749 CG ARG A 48 -11.997 -10.703 -7.075 1.00 1.22 C ATOM 750 CD ARG A 48 -12.285 -12.195 -7.130 1.00 1.72 C ATOM 751 NE ARG A 48 -12.448 -12.699 -8.492 1.00 2.25 N ATOM 752 CZ ARG A 48 -12.424 -13.997 -8.799 1.00 2.93 C ATOM 753 NH1 ARG A 48 -12.186 -14.900 -7.854 1.00 3.36 N ATOM 754 NH2 ARG A 48 -12.618 -14.394 -10.049 1.00 3.61 N ATOM 0 H ARG A 48 -11.061 -10.440 -3.178 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.472 -12.040 -5.536 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.525 -10.464 -5.011 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.458 -9.217 -5.627 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -12.863 -10.144 -7.430 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -11.167 -10.460 -7.738 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -11.471 -12.734 -6.645 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -13.190 -12.405 -6.561 1.00 1.72 H new ATOM 0 HE ARG A 48 -12.587 -12.025 -9.245 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -12.021 -14.601 -6.893 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -12.168 -15.892 -8.090 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -12.787 -13.705 -10.782 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -12.598 -15.388 -10.277 1.00 3.61 H new ATOM 768 N PHE A 49 -8.539 -9.767 -4.446 1.00 0.49 N ATOM 769 CA PHE A 49 -7.220 -9.188 -4.572 1.00 0.42 C ATOM 770 C PHE A 49 -6.191 -10.308 -4.688 1.00 0.59 C ATOM 771 O PHE A 49 -6.494 -11.471 -4.444 1.00 1.46 O ATOM 772 CB PHE A 49 -6.927 -8.303 -3.354 1.00 0.35 C ATOM 773 CG PHE A 49 -5.584 -7.632 -3.354 1.00 0.32 C ATOM 774 CD1 PHE A 49 -5.210 -6.780 -4.381 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.693 -7.863 -2.316 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.970 -6.170 -4.373 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.454 -7.255 -2.303 1.00 0.30 C ATOM 778 CZ PHE A 49 -3.092 -6.408 -3.334 1.00 0.37 C ATOM 0 H PHE A 49 -8.937 -9.694 -3.510 1.00 0.49 H new ATOM 0 HA PHE A 49 -7.168 -8.568 -5.467 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.698 -7.535 -3.290 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.010 -8.913 -2.455 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.894 -6.591 -5.195 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -4.972 -8.525 -1.510 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.688 -5.508 -5.178 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.769 -7.441 -1.489 1.00 0.30 H new ATOM 0 HZ PHE A 49 -2.122 -5.932 -3.327 1.00 0.37 H new ATOM 788 N THR A 50 -4.991 -9.953 -5.072 1.00 0.46 N ATOM 789 CA THR A 50 -3.905 -10.903 -5.239 1.00 0.42 C ATOM 790 C THR A 50 -2.597 -10.152 -5.024 1.00 0.47 C ATOM 791 O THR A 50 -2.464 -9.013 -5.471 1.00 0.84 O ATOM 792 CB THR A 50 -3.930 -11.544 -6.649 1.00 0.42 C ATOM 793 OG1 THR A 50 -5.278 -11.887 -7.009 1.00 0.89 O ATOM 794 CG2 THR A 50 -3.076 -12.803 -6.695 1.00 0.82 C ATOM 0 H THR A 50 -4.732 -8.989 -5.281 1.00 0.46 H new ATOM 0 HA THR A 50 -4.010 -11.713 -4.517 1.00 0.42 H new ATOM 0 HB THR A 50 -3.527 -10.815 -7.352 1.00 0.42 H new ATOM 0 HG1 THR A 50 -5.286 -12.290 -7.902 1.00 0.89 H new ATOM 0 HG21 THR A 50 -3.113 -13.231 -7.697 1.00 0.82 H new ATOM 0 HG22 THR A 50 -2.045 -12.553 -6.445 1.00 0.82 H new ATOM 0 HG23 THR A 50 -3.458 -13.528 -5.976 1.00 0.82 H new ATOM 802 N MET A 51 -1.652 -10.762 -4.315 1.00 0.25 N ATOM 803 CA MET A 51 -0.447 -10.045 -3.906 1.00 0.24 C ATOM 804 C MET A 51 0.431 -9.693 -5.089 1.00 0.26 C ATOM 805 O MET A 51 0.589 -10.464 -6.033 1.00 0.29 O ATOM 806 CB MET A 51 0.388 -10.840 -2.896 1.00 0.25 C ATOM 807 CG MET A 51 1.054 -12.083 -3.467 1.00 0.31 C ATOM 808 SD MET A 51 2.215 -12.844 -2.313 1.00 0.50 S ATOM 809 CE MET A 51 1.164 -13.107 -0.889 1.00 1.00 C ATOM 0 H MET A 51 -1.694 -11.736 -4.015 1.00 0.25 H new ATOM 0 HA MET A 51 -0.800 -9.129 -3.432 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.158 -10.186 -2.486 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.254 -11.136 -2.066 1.00 0.25 H new ATOM 0 HG2 MET A 51 0.287 -12.809 -3.737 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.580 -11.819 -4.384 1.00 0.31 H new ATOM 0 HE1 MET A 51 1.673 -13.756 -0.176 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.946 -12.150 -0.416 1.00 1.00 H new ATOM 0 HE3 MET A 51 0.232 -13.576 -1.206 1.00 1.00 H new ATOM 819 N TYR A 52 0.988 -8.511 -5.022 1.00 0.28 N ATOM 820 CA TYR A 52 2.032 -8.110 -5.926 1.00 0.32 C ATOM 821 C TYR A 52 3.254 -7.748 -5.100 1.00 0.30 C ATOM 822 O TYR A 52 3.170 -7.658 -3.874 1.00 0.30 O ATOM 823 CB TYR A 52 1.589 -6.945 -6.835 1.00 0.42 C ATOM 824 CG TYR A 52 0.782 -5.841 -6.171 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.215 -5.220 -5.008 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.408 -5.401 -6.739 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.484 -4.197 -4.428 1.00 0.61 C ATOM 828 CE2 TYR A 52 -1.145 -4.381 -6.163 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.695 -3.784 -5.007 1.00 0.71 C ATOM 830 OH TYR A 52 -1.425 -2.765 -4.429 1.00 0.85 O ATOM 0 H TYR A 52 0.729 -7.800 -4.338 1.00 0.28 H new ATOM 0 HA TYR A 52 2.272 -8.934 -6.598 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.480 -6.499 -7.277 1.00 0.42 H new ATOM 0 HB3 TYR A 52 0.998 -7.356 -7.654 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.138 -5.540 -4.547 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.764 -5.864 -7.647 1.00 0.61 H new ATOM 0 HE1 TYR A 52 0.838 -3.724 -3.524 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -2.069 -4.055 -6.618 1.00 0.72 H new ATOM 0 HH TYR A 52 -2.229 -2.595 -4.963 1.00 0.85 H new ATOM 840 N SER A 53 4.387 -7.571 -5.741 1.00 0.33 N ATOM 841 CA SER A 53 5.586 -7.211 -5.014 1.00 0.33 C ATOM 842 C SER A 53 5.886 -5.753 -5.238 1.00 0.37 C ATOM 843 O SER A 53 6.029 -5.320 -6.371 1.00 0.52 O ATOM 844 CB SER A 53 6.782 -8.065 -5.443 1.00 0.40 C ATOM 845 OG SER A 53 6.438 -9.428 -5.470 1.00 0.93 O ATOM 0 H SER A 53 4.505 -7.668 -6.749 1.00 0.33 H new ATOM 0 HA SER A 53 5.413 -7.396 -3.954 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.123 -7.752 -6.430 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.612 -7.908 -4.754 1.00 0.40 H new ATOM 0 HG SER A 53 6.324 -9.755 -4.553 1.00 0.93 H new ATOM 851 N THR A 54 5.925 -4.994 -4.165 1.00 0.31 N ATOM 852 CA THR A 54 6.334 -3.614 -4.246 1.00 0.33 C ATOM 853 C THR A 54 7.804 -3.539 -3.862 1.00 0.29 C ATOM 854 O THR A 54 8.152 -3.607 -2.685 1.00 0.27 O ATOM 855 CB THR A 54 5.485 -2.750 -3.295 1.00 0.37 C ATOM 856 OG1 THR A 54 4.124 -3.210 -3.328 1.00 0.43 O ATOM 857 CG2 THR A 54 5.523 -1.285 -3.702 1.00 0.43 C ATOM 0 H THR A 54 5.678 -5.311 -3.228 1.00 0.31 H new ATOM 0 HA THR A 54 6.190 -3.235 -5.258 1.00 0.33 H new ATOM 0 HB THR A 54 5.896 -2.841 -2.289 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.646 -2.874 -2.541 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.915 -0.700 -3.012 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.552 -0.926 -3.673 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.130 -1.178 -4.713 1.00 0.43 H new ATOM 865 N ILE A 55 8.669 -3.421 -4.854 1.00 0.30 N ATOM 866 CA ILE A 55 10.100 -3.408 -4.595 1.00 0.28 C ATOM 867 C ILE A 55 10.625 -1.992 -4.719 1.00 0.24 C ATOM 868 O ILE A 55 10.779 -1.486 -5.829 1.00 0.26 O ATOM 869 CB ILE A 55 10.882 -4.309 -5.580 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.088 -5.573 -5.943 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.236 -4.682 -4.985 1.00 0.32 C ATOM 872 CD1 ILE A 55 9.777 -6.484 -4.776 1.00 0.72 C ATOM 0 H ILE A 55 8.411 -3.334 -5.837 1.00 0.30 H new ATOM 0 HA ILE A 55 10.249 -3.794 -3.587 1.00 0.28 H new ATOM 0 HB ILE A 55 11.039 -3.745 -6.499 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.151 -5.274 -6.412 1.00 0.50 H new ATOM 0 HG13 ILE A 55 10.651 -6.137 -6.687 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.779 -5.316 -5.686 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.812 -3.776 -4.794 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.086 -5.220 -4.049 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.215 -7.348 -5.129 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.708 -6.819 -4.318 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.184 -5.942 -4.039 1.00 0.72 H new ATOM 884 N TYR A 56 10.882 -1.344 -3.594 1.00 0.25 N ATOM 885 CA TYR A 56 11.358 0.030 -3.628 1.00 0.27 C ATOM 886 C TYR A 56 12.835 0.043 -3.988 1.00 0.30 C ATOM 887 O TYR A 56 13.676 -0.294 -3.161 1.00 0.36 O ATOM 888 CB TYR A 56 11.190 0.759 -2.288 1.00 0.32 C ATOM 889 CG TYR A 56 9.871 0.580 -1.548 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.703 0.133 -2.169 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.807 0.888 -0.194 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.527 0.003 -1.456 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.633 0.757 0.521 1.00 1.01 C ATOM 894 CZ TYR A 56 7.497 0.315 -0.114 1.00 0.79 C ATOM 895 OH TYR A 56 6.324 0.187 0.595 1.00 1.02 O ATOM 0 H TYR A 56 10.772 -1.739 -2.660 1.00 0.25 H new ATOM 0 HA TYR A 56 10.755 0.550 -4.372 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.993 0.435 -1.626 1.00 0.32 H new ATOM 0 HB3 TYR A 56 11.334 1.825 -2.465 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.719 -0.114 -3.220 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.696 1.238 0.310 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.631 -0.343 -1.950 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.608 1.000 1.573 1.00 1.01 H new ATOM 0 HH TYR A 56 6.476 0.446 1.528 1.00 1.02 H new ATOM 905 N GLU A 57 13.147 0.410 -5.218 1.00 0.33 N ATOM 906 CA GLU A 57 14.533 0.473 -5.658 1.00 0.41 C ATOM 907 C GLU A 57 15.049 1.904 -5.563 1.00 0.36 C ATOM 908 O GLU A 57 14.530 2.811 -6.215 1.00 0.42 O ATOM 909 CB GLU A 57 14.657 -0.063 -7.085 1.00 0.52 C ATOM 910 CG GLU A 57 16.065 -0.012 -7.647 1.00 1.13 C ATOM 911 CD GLU A 57 16.197 -0.798 -8.930 1.00 1.56 C ATOM 912 OE1 GLU A 57 15.595 -0.385 -9.945 1.00 1.84 O ATOM 913 OE2 GLU A 57 16.903 -1.828 -8.935 1.00 2.33 O ATOM 0 H GLU A 57 12.463 0.669 -5.929 1.00 0.33 H new ATOM 0 HA GLU A 57 15.144 -0.152 -5.006 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.307 -1.095 -7.105 1.00 0.52 H new ATOM 0 HB3 GLU A 57 13.997 0.511 -7.736 1.00 0.52 H new ATOM 0 HG2 GLU A 57 16.344 1.026 -7.829 1.00 1.13 H new ATOM 0 HG3 GLU A 57 16.763 -0.406 -6.908 1.00 1.13 H new ATOM 920 N LEU A 58 16.064 2.103 -4.738 1.00 0.41 N ATOM 921 CA LEU A 58 16.586 3.434 -4.468 1.00 0.42 C ATOM 922 C LEU A 58 17.326 4.008 -5.666 1.00 0.43 C ATOM 923 O LEU A 58 18.101 3.313 -6.329 1.00 0.60 O ATOM 924 CB LEU A 58 17.500 3.407 -3.245 1.00 0.62 C ATOM 925 CG LEU A 58 16.885 3.997 -1.979 1.00 0.58 C ATOM 926 CD1 LEU A 58 17.718 3.650 -0.765 1.00 1.24 C ATOM 927 CD2 LEU A 58 16.761 5.504 -2.113 1.00 1.24 C ATOM 0 H LEU A 58 16.546 1.354 -4.240 1.00 0.41 H new ATOM 0 HA LEU A 58 15.735 4.084 -4.266 1.00 0.42 H new ATOM 0 HB2 LEU A 58 17.788 2.375 -3.046 1.00 0.62 H new ATOM 0 HB3 LEU A 58 18.414 3.954 -3.478 1.00 0.62 H new ATOM 0 HG LEU A 58 15.892 3.568 -1.848 1.00 0.58 H new ATOM 0 HD11 LEU A 58 17.260 4.081 0.125 1.00 1.24 H new ATOM 0 HD12 LEU A 58 17.771 2.567 -0.658 1.00 1.24 H new ATOM 0 HD13 LEU A 58 18.724 4.052 -0.887 1.00 1.24 H new ATOM 0 HD21 LEU A 58 16.321 5.915 -1.204 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.749 5.938 -2.266 1.00 1.24 H new ATOM 0 HD23 LEU A 58 16.124 5.742 -2.965 1.00 1.24 H new ATOM 939 N GLN A 59 17.086 5.285 -5.930 1.00 0.37 N ATOM 940 CA GLN A 59 17.717 5.967 -7.034 1.00 0.48 C ATOM 941 C GLN A 59 18.644 7.052 -6.509 1.00 0.57 C ATOM 942 O GLN A 59 18.844 7.162 -5.296 1.00 0.58 O ATOM 943 CB GLN A 59 16.670 6.575 -7.965 1.00 0.53 C ATOM 944 CG GLN A 59 16.882 6.231 -9.433 1.00 1.13 C ATOM 945 CD GLN A 59 16.749 4.743 -9.719 1.00 1.75 C ATOM 946 OE1 GLN A 59 15.906 4.059 -8.958 1.00 2.50 O flip ATOM 947 NE2 GLN A 59 17.393 4.214 -10.623 1.00 2.33 N flip ATOM 0 H GLN A 59 16.451 5.868 -5.384 1.00 0.37 H new ATOM 0 HA GLN A 59 18.299 5.242 -7.602 1.00 0.48 H new ATOM 0 HB2 GLN A 59 15.682 6.231 -7.660 1.00 0.53 H new ATOM 0 HB3 GLN A 59 16.680 7.659 -7.850 1.00 0.53 H new ATOM 0 HG2 GLN A 59 16.158 6.778 -10.037 1.00 1.13 H new ATOM 0 HG3 GLN A 59 17.872 6.568 -9.740 1.00 1.13 H new ATOM 0 HE21 GLN A 59 18.032 4.773 -11.188 1.00 2.33 H new ATOM 0 HE22 GLN A 59 17.288 3.216 -10.808 1.00 2.33 H new ATOM 956 N GLU A 60 19.194 7.843 -7.412 1.00 0.69 N ATOM 957 CA GLU A 60 20.186 8.856 -7.070 1.00 0.82 C ATOM 958 C GLU A 60 19.734 9.794 -5.949 1.00 0.75 C ATOM 959 O GLU A 60 20.555 10.236 -5.145 1.00 0.89 O ATOM 960 CB GLU A 60 20.563 9.647 -8.327 1.00 1.05 C ATOM 961 CG GLU A 60 19.355 10.132 -9.121 1.00 1.11 C ATOM 962 CD GLU A 60 19.721 10.653 -10.495 1.00 1.47 C ATOM 963 OE1 GLU A 60 20.119 9.846 -11.356 1.00 1.73 O ATOM 964 OE2 GLU A 60 19.637 11.880 -10.711 1.00 1.79 O ATOM 0 H GLU A 60 18.968 7.804 -8.406 1.00 0.69 H new ATOM 0 HA GLU A 60 21.061 8.334 -6.683 1.00 0.82 H new ATOM 0 HB2 GLU A 60 21.168 10.507 -8.039 1.00 1.05 H new ATOM 0 HB3 GLU A 60 21.183 9.021 -8.969 1.00 1.05 H new ATOM 0 HG2 GLU A 60 18.644 9.313 -9.227 1.00 1.11 H new ATOM 0 HG3 GLU A 60 18.852 10.921 -8.561 1.00 1.11 H new ATOM 971 N ASP A 61 18.445 10.071 -5.853 1.00 0.64 N ATOM 972 CA ASP A 61 17.972 10.964 -4.804 1.00 0.70 C ATOM 973 C ASP A 61 16.718 10.411 -4.171 1.00 0.54 C ATOM 974 O ASP A 61 15.670 11.050 -4.172 1.00 0.50 O ATOM 975 CB ASP A 61 17.731 12.386 -5.314 1.00 0.92 C ATOM 976 CG ASP A 61 17.622 13.377 -4.166 1.00 1.18 C ATOM 977 OD1 ASP A 61 18.638 13.591 -3.470 1.00 1.41 O ATOM 978 OD2 ASP A 61 16.525 13.929 -3.937 1.00 1.26 O ATOM 0 H ASP A 61 17.721 9.703 -6.470 1.00 0.64 H new ATOM 0 HA ASP A 61 18.759 11.023 -4.052 1.00 0.70 H new ATOM 0 HB2 ASP A 61 18.547 12.680 -5.974 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.816 12.411 -5.906 1.00 0.92 H new ATOM 983 N ASN A 62 16.845 9.181 -3.681 1.00 0.52 N ATOM 984 CA ASN A 62 15.807 8.497 -2.874 1.00 0.46 C ATOM 985 C ASN A 62 14.421 8.472 -3.519 1.00 0.36 C ATOM 986 O ASN A 62 13.439 8.134 -2.854 1.00 0.41 O ATOM 987 CB ASN A 62 15.697 9.028 -1.426 1.00 0.57 C ATOM 988 CG ASN A 62 15.595 10.538 -1.298 1.00 0.70 C ATOM 989 OD1 ASN A 62 14.503 11.104 -1.341 1.00 1.36 O ATOM 990 ND2 ASN A 62 16.731 11.200 -1.125 1.00 1.35 N ATOM 0 H ASN A 62 17.679 8.613 -3.829 1.00 0.52 H new ATOM 0 HA ASN A 62 16.168 7.469 -2.835 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.821 8.579 -0.957 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.568 8.690 -0.865 1.00 0.57 H new ATOM 0 HD21 ASN A 62 16.719 12.215 -1.022 1.00 1.35 H new ATOM 0 HD22 ASN A 62 17.616 10.694 -1.095 1.00 1.35 H new ATOM 997 N SER A 63 14.322 8.822 -4.789 1.00 0.34 N ATOM 998 CA SER A 63 13.135 8.498 -5.541 1.00 0.30 C ATOM 999 C SER A 63 13.199 7.012 -5.831 1.00 0.29 C ATOM 1000 O SER A 63 14.145 6.535 -6.454 1.00 0.31 O ATOM 1001 CB SER A 63 13.052 9.319 -6.833 1.00 0.35 C ATOM 1002 OG SER A 63 14.253 9.227 -7.583 1.00 0.96 O ATOM 0 H SER A 63 15.041 9.323 -5.311 1.00 0.34 H new ATOM 0 HA SER A 63 12.237 8.742 -4.973 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.216 8.966 -7.437 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.852 10.363 -6.590 1.00 0.35 H new ATOM 0 HG SER A 63 14.627 8.326 -7.492 1.00 0.96 H new ATOM 1008 N TYR A 64 12.232 6.270 -5.360 1.00 0.28 N ATOM 1009 CA TYR A 64 12.299 4.839 -5.479 1.00 0.28 C ATOM 1010 C TYR A 64 11.691 4.435 -6.795 1.00 0.29 C ATOM 1011 O TYR A 64 10.597 4.864 -7.132 1.00 0.30 O ATOM 1012 CB TYR A 64 11.513 4.159 -4.350 1.00 0.28 C ATOM 1013 CG TYR A 64 11.827 4.650 -2.950 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.134 4.731 -2.489 1.00 0.31 C ATOM 1015 CD2 TYR A 64 10.803 5.011 -2.082 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.416 5.159 -1.200 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.073 5.443 -0.798 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.377 5.516 -0.362 1.00 0.42 C ATOM 1019 OH TYR A 64 12.644 5.943 0.916 1.00 0.49 O ATOM 0 H TYR A 64 11.398 6.628 -4.895 1.00 0.28 H new ATOM 0 HA TYR A 64 13.343 4.531 -5.418 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.448 4.300 -4.536 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.704 3.087 -4.392 1.00 0.28 H new ATOM 0 HD1 TYR A 64 13.946 4.456 -3.146 1.00 0.31 H new ATOM 0 HD2 TYR A 64 9.778 4.953 -2.417 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.438 5.213 -0.855 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.264 5.722 -0.139 1.00 0.45 H new ATOM 0 HH TYR A 64 11.847 6.375 1.290 1.00 0.49 H new ATOM 1029 N ASN A 65 12.382 3.604 -7.534 1.00 0.32 N ATOM 1030 CA ASN A 65 11.783 2.999 -8.692 1.00 0.36 C ATOM 1031 C ASN A 65 11.221 1.682 -8.245 1.00 0.32 C ATOM 1032 O ASN A 65 11.926 0.682 -8.129 1.00 0.37 O ATOM 1033 CB ASN A 65 12.795 2.817 -9.821 1.00 0.48 C ATOM 1034 CG ASN A 65 12.532 3.760 -10.981 1.00 1.24 C ATOM 1035 OD1 ASN A 65 11.968 4.845 -10.805 1.00 2.02 O ATOM 1036 ND2 ASN A 65 12.941 3.354 -12.171 1.00 1.96 N ATOM 0 H ASN A 65 13.349 3.334 -7.356 1.00 0.32 H new ATOM 0 HA ASN A 65 11.000 3.640 -9.097 1.00 0.36 H new ATOM 0 HB2 ASN A 65 13.801 2.987 -9.437 1.00 0.48 H new ATOM 0 HB3 ASN A 65 12.760 1.787 -10.176 1.00 0.48 H new ATOM 0 HD21 ASN A 65 12.795 3.945 -12.989 1.00 1.96 H new ATOM 0 HD22 ASN A 65 13.403 2.450 -12.271 1.00 1.96 H new ATOM 1043 N VAL A 66 9.944 1.689 -7.977 1.00 0.31 N ATOM 1044 CA VAL A 66 9.321 0.567 -7.347 1.00 0.29 C ATOM 1045 C VAL A 66 8.798 -0.400 -8.370 1.00 0.31 C ATOM 1046 O VAL A 66 8.026 -0.045 -9.258 1.00 0.37 O ATOM 1047 CB VAL A 66 8.216 0.997 -6.381 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.290 -0.170 -6.093 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.833 1.522 -5.094 1.00 0.65 C ATOM 0 H VAL A 66 9.316 2.464 -8.188 1.00 0.31 H new ATOM 0 HA VAL A 66 10.085 0.060 -6.757 1.00 0.29 H new ATOM 0 HB VAL A 66 7.630 1.794 -6.838 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.507 0.148 -5.404 1.00 0.67 H new ATOM 0 HG12 VAL A 66 6.837 -0.513 -7.023 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.859 -0.984 -5.644 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.042 1.827 -4.409 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.431 0.737 -4.631 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.469 2.378 -5.318 1.00 0.65 H new ATOM 1059 N THR A 67 9.216 -1.628 -8.212 1.00 0.34 N ATOM 1060 CA THR A 67 8.938 -2.649 -9.184 1.00 0.39 C ATOM 1061 C THR A 67 7.731 -3.454 -8.728 1.00 0.47 C ATOM 1062 O THR A 67 7.864 -4.350 -7.899 1.00 0.71 O ATOM 1063 CB THR A 67 10.161 -3.574 -9.353 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.351 -2.774 -9.451 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.030 -4.435 -10.597 1.00 0.74 C ATOM 0 H THR A 67 9.757 -1.947 -7.408 1.00 0.34 H new ATOM 0 HA THR A 67 8.724 -2.184 -10.147 1.00 0.39 H new ATOM 0 HB THR A 67 10.218 -4.231 -8.485 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.130 -3.359 -9.557 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.907 -5.076 -10.690 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.135 -5.053 -10.519 1.00 0.74 H new ATOM 0 HG23 THR A 67 9.954 -3.795 -11.476 1.00 0.74 H new ATOM 1073 N SER A 68 6.559 -3.104 -9.237 1.00 0.44 N ATOM 1074 CA SER A 68 5.325 -3.756 -8.832 1.00 0.52 C ATOM 1075 C SER A 68 4.925 -4.817 -9.846 1.00 0.53 C ATOM 1076 O SER A 68 4.330 -4.514 -10.879 1.00 0.65 O ATOM 1077 CB SER A 68 4.209 -2.719 -8.673 1.00 0.60 C ATOM 1078 OG SER A 68 2.996 -3.319 -8.252 1.00 1.14 O ATOM 0 H SER A 68 6.438 -2.369 -9.934 1.00 0.44 H new ATOM 0 HA SER A 68 5.488 -4.245 -7.871 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.513 -1.964 -7.948 1.00 0.60 H new ATOM 0 HB3 SER A 68 4.051 -2.205 -9.621 1.00 0.60 H new ATOM 0 HG SER A 68 2.305 -2.630 -8.159 1.00 1.14 H new ATOM 1084 N ILE A 69 5.267 -6.060 -9.556 1.00 0.53 N ATOM 1085 CA ILE A 69 4.939 -7.161 -10.447 1.00 0.53 C ATOM 1086 C ILE A 69 3.495 -7.589 -10.287 1.00 0.60 C ATOM 1087 O ILE A 69 3.036 -7.910 -9.196 1.00 0.74 O ATOM 1088 CB ILE A 69 5.861 -8.382 -10.231 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.349 -9.568 -11.062 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.925 -8.737 -8.746 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.400 -10.603 -11.379 1.00 0.78 C ATOM 0 H ILE A 69 5.771 -6.333 -8.712 1.00 0.53 H new ATOM 0 HA ILE A 69 5.094 -6.789 -11.460 1.00 0.53 H new ATOM 0 HB ILE A 69 6.871 -8.138 -10.562 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.533 -10.049 -10.523 1.00 0.66 H new ATOM 0 HG13 ILE A 69 4.934 -9.190 -11.997 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.577 -9.599 -8.606 1.00 0.57 H new ATOM 0 HG22 ILE A 69 6.319 -7.889 -8.186 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.925 -8.977 -8.386 1.00 0.57 H new ATOM 0 HD11 ILE A 69 5.955 -11.405 -11.968 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.207 -10.140 -11.947 1.00 0.78 H new ATOM 0 HD13 ILE A 69 6.799 -11.013 -10.451 1.00 0.78 H new ATOM 1103 N LEU A 70 2.797 -7.590 -11.396 1.00 0.56 N ATOM 1104 CA LEU A 70 1.415 -8.000 -11.442 1.00 0.64 C ATOM 1105 C LEU A 70 1.182 -8.817 -12.689 1.00 0.64 C ATOM 1106 O LEU A 70 1.819 -8.599 -13.722 1.00 0.67 O ATOM 1107 CB LEU A 70 0.473 -6.784 -11.401 1.00 0.74 C ATOM 1108 CG LEU A 70 1.132 -5.404 -11.580 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.716 -5.239 -12.977 1.00 0.96 C ATOM 1110 CD2 LEU A 70 0.128 -4.299 -11.295 1.00 1.18 C ATOM 0 H LEU A 70 3.175 -7.304 -12.299 1.00 0.56 H new ATOM 0 HA LEU A 70 1.196 -8.609 -10.565 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.279 -6.908 -12.180 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.053 -6.791 -10.446 1.00 0.74 H new ATOM 0 HG LEU A 70 1.953 -5.333 -10.866 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.173 -4.253 -13.066 1.00 0.96 H new ATOM 0 HD12 LEU A 70 2.472 -6.006 -13.148 1.00 0.96 H new ATOM 0 HD13 LEU A 70 0.922 -5.340 -13.717 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.608 -3.329 -11.425 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.712 -4.384 -11.984 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.233 -4.391 -10.270 1.00 1.18 H new ATOM 1122 N VAL A 71 0.298 -9.782 -12.576 1.00 0.70 N ATOM 1123 CA VAL A 71 0.022 -10.678 -13.670 1.00 0.74 C ATOM 1124 C VAL A 71 -0.840 -9.980 -14.704 1.00 0.83 C ATOM 1125 O VAL A 71 -1.996 -9.648 -14.444 1.00 0.99 O ATOM 1126 CB VAL A 71 -0.671 -11.954 -13.177 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -0.685 -12.998 -14.273 1.00 0.88 C ATOM 1128 CG2 VAL A 71 0.023 -12.479 -11.931 1.00 0.84 C ATOM 0 H VAL A 71 -0.244 -9.965 -11.731 1.00 0.70 H new ATOM 0 HA VAL A 71 0.970 -10.964 -14.126 1.00 0.74 H new ATOM 0 HB VAL A 71 -1.704 -11.721 -12.918 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.180 -13.899 -13.911 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -1.224 -12.611 -15.138 1.00 0.88 H new ATOM 0 HG13 VAL A 71 0.339 -13.237 -14.561 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -0.478 -13.385 -11.590 1.00 0.84 H new ATOM 0 HG22 VAL A 71 1.064 -12.705 -12.162 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.019 -11.724 -11.146 1.00 0.84 H new ATOM 1138 N ARG A 72 -0.262 -9.740 -15.867 1.00 0.83 N ATOM 1139 CA ARG A 72 -0.938 -9.003 -16.919 1.00 0.95 C ATOM 1140 C ARG A 72 -1.544 -9.985 -17.909 1.00 1.12 C ATOM 1141 O ARG A 72 -0.946 -10.295 -18.939 1.00 1.43 O ATOM 1142 CB ARG A 72 0.048 -8.064 -17.624 1.00 1.03 C ATOM 1143 CG ARG A 72 0.939 -7.279 -16.667 1.00 1.02 C ATOM 1144 CD ARG A 72 0.136 -6.381 -15.734 1.00 1.01 C ATOM 1145 NE ARG A 72 -0.482 -5.262 -16.449 1.00 1.53 N ATOM 1146 CZ ARG A 72 -1.499 -4.535 -15.982 1.00 2.19 C ATOM 1147 NH1 ARG A 72 -2.064 -4.830 -14.816 1.00 2.48 N ATOM 1148 NH2 ARG A 72 -1.961 -3.513 -16.692 1.00 2.99 N ATOM 0 H ARG A 72 0.680 -10.047 -16.108 1.00 0.83 H new ATOM 0 HA ARG A 72 -1.734 -8.397 -16.486 1.00 0.95 H new ATOM 0 HB2 ARG A 72 0.677 -8.649 -18.294 1.00 1.03 H new ATOM 0 HB3 ARG A 72 -0.511 -7.363 -18.243 1.00 1.03 H new ATOM 0 HG2 ARG A 72 1.534 -7.974 -16.075 1.00 1.02 H new ATOM 0 HG3 ARG A 72 1.638 -6.670 -17.241 1.00 1.02 H new ATOM 0 HD2 ARG A 72 -0.639 -6.969 -15.242 1.00 1.01 H new ATOM 0 HD3 ARG A 72 0.789 -5.995 -14.951 1.00 1.01 H new ATOM 0 HE ARG A 72 -0.109 -5.022 -17.368 1.00 1.53 H new ATOM 0 HH11 ARG A 72 -1.721 -5.619 -14.268 1.00 2.48 H new ATOM 0 HH12 ARG A 72 -2.841 -4.267 -14.469 1.00 2.48 H new ATOM 0 HH21 ARG A 72 -1.539 -3.285 -17.592 1.00 2.99 H new ATOM 0 HH22 ARG A 72 -2.738 -2.956 -16.337 1.00 2.99 H new ATOM 1162 N GLY A 73 -2.722 -10.494 -17.576 1.00 1.41 N ATOM 1163 CA GLY A 73 -3.360 -11.496 -18.401 1.00 1.65 C ATOM 1164 C GLY A 73 -2.848 -12.888 -18.085 1.00 1.69 C ATOM 1165 O GLY A 73 -3.047 -13.397 -16.980 1.00 2.28 O ATOM 0 H GLY A 73 -3.249 -10.228 -16.744 1.00 1.41 H new ATOM 0 HA2 GLY A 73 -4.439 -11.461 -18.248 1.00 1.65 H new ATOM 0 HA3 GLY A 73 -3.180 -11.271 -19.452 1.00 1.65 H new ATOM 1169 N GLN A 74 -2.160 -13.490 -19.040 1.00 1.63 N ATOM 1170 CA GLN A 74 -1.610 -14.827 -18.865 1.00 1.87 C ATOM 1171 C GLN A 74 -0.088 -14.776 -18.854 1.00 1.45 C ATOM 1172 O GLN A 74 0.584 -15.551 -19.537 1.00 1.77 O ATOM 1173 CB GLN A 74 -2.109 -15.760 -19.969 1.00 2.56 C ATOM 1174 CG GLN A 74 -3.571 -16.147 -19.821 1.00 3.31 C ATOM 1175 CD GLN A 74 -3.824 -16.954 -18.563 1.00 4.11 C ATOM 1176 OE1 GLN A 74 -4.107 -16.403 -17.499 1.00 4.39 O ATOM 1177 NE2 GLN A 74 -3.723 -18.268 -18.677 1.00 4.91 N ATOM 0 H GLN A 74 -1.967 -13.073 -19.950 1.00 1.63 H new ATOM 0 HA GLN A 74 -1.949 -15.219 -17.906 1.00 1.87 H new ATOM 0 HB2 GLN A 74 -1.966 -15.276 -20.935 1.00 2.56 H new ATOM 0 HB3 GLN A 74 -1.501 -16.664 -19.972 1.00 2.56 H new ATOM 0 HG2 GLN A 74 -4.184 -15.246 -19.802 1.00 3.31 H new ATOM 0 HG3 GLN A 74 -3.882 -16.726 -20.691 1.00 3.31 H new ATOM 0 HE21 GLN A 74 -3.486 -18.685 -19.577 1.00 4.91 H new ATOM 0 HE22 GLN A 74 -3.882 -18.864 -17.865 1.00 4.91 H new ATOM 1186 N GLY A 75 0.446 -13.848 -18.082 1.00 0.97 N ATOM 1187 CA GLY A 75 1.880 -13.715 -17.961 1.00 0.88 C ATOM 1188 C GLY A 75 2.266 -12.837 -16.795 1.00 0.81 C ATOM 1189 O GLY A 75 1.416 -12.176 -16.202 1.00 0.81 O ATOM 0 H GLY A 75 -0.092 -13.179 -17.532 1.00 0.97 H new ATOM 0 HA2 GLY A 75 2.327 -14.701 -17.837 1.00 0.88 H new ATOM 0 HA3 GLY A 75 2.285 -13.295 -18.882 1.00 0.88 H new ATOM 1193 N CYS A 76 3.549 -12.780 -16.499 1.00 0.79 N ATOM 1194 CA CYS A 76 4.024 -12.026 -15.354 1.00 0.73 C ATOM 1195 C CYS A 76 4.803 -10.814 -15.851 1.00 0.75 C ATOM 1196 O CYS A 76 5.660 -10.941 -16.724 1.00 0.92 O ATOM 1197 CB CYS A 76 4.953 -12.896 -14.494 1.00 0.78 C ATOM 1198 SG CYS A 76 6.447 -13.479 -15.374 1.00 1.26 S ATOM 0 H CYS A 76 4.282 -13.246 -17.034 1.00 0.79 H new ATOM 0 HA CYS A 76 3.171 -11.711 -14.753 1.00 0.73 H new ATOM 0 HB2 CYS A 76 5.259 -12.326 -13.617 1.00 0.78 H new ATOM 0 HB3 CYS A 76 4.395 -13.760 -14.134 1.00 0.78 H new ATOM 1203 N ARG A 77 4.498 -9.638 -15.337 1.00 0.65 N ATOM 1204 CA ARG A 77 5.240 -8.455 -15.735 1.00 0.67 C ATOM 1205 C ARG A 77 5.437 -7.521 -14.557 1.00 0.57 C ATOM 1206 O ARG A 77 4.548 -7.344 -13.726 1.00 0.56 O ATOM 1207 CB ARG A 77 4.537 -7.716 -16.877 1.00 0.79 C ATOM 1208 CG ARG A 77 5.318 -6.513 -17.391 1.00 1.22 C ATOM 1209 CD ARG A 77 6.700 -6.913 -17.886 1.00 1.46 C ATOM 1210 NE ARG A 77 7.670 -5.829 -17.727 1.00 2.14 N ATOM 1211 CZ ARG A 77 8.984 -6.019 -17.596 1.00 2.81 C ATOM 1212 NH1 ARG A 77 9.502 -7.238 -17.688 1.00 3.04 N ATOM 1213 NH2 ARG A 77 9.786 -4.985 -17.394 1.00 3.68 N ATOM 0 H ARG A 77 3.756 -9.476 -14.656 1.00 0.65 H new ATOM 0 HA ARG A 77 6.216 -8.785 -16.090 1.00 0.67 H new ATOM 0 HB2 ARG A 77 4.370 -8.410 -17.701 1.00 0.79 H new ATOM 0 HB3 ARG A 77 3.556 -7.384 -16.536 1.00 0.79 H new ATOM 0 HG2 ARG A 77 4.764 -6.038 -18.201 1.00 1.22 H new ATOM 0 HG3 ARG A 77 5.415 -5.775 -16.595 1.00 1.22 H new ATOM 0 HD2 ARG A 77 7.043 -7.790 -17.337 1.00 1.46 H new ATOM 0 HD3 ARG A 77 6.641 -7.197 -18.937 1.00 1.46 H new ATOM 0 HE ARG A 77 7.321 -4.871 -17.716 1.00 2.14 H new ATOM 0 HH11 ARG A 77 8.894 -8.039 -17.860 1.00 3.04 H new ATOM 0 HH12 ARG A 77 10.508 -7.374 -17.587 1.00 3.04 H new ATOM 0 HH21 ARG A 77 9.399 -4.043 -17.338 1.00 3.68 H new ATOM 0 HH22 ARG A 77 10.791 -5.131 -17.294 1.00 3.68 H new ATOM 1227 N TYR A 78 6.618 -6.941 -14.495 1.00 0.56 N ATOM 1228 CA TYR A 78 6.938 -5.959 -13.483 1.00 0.48 C ATOM 1229 C TYR A 78 6.508 -4.586 -13.963 1.00 0.47 C ATOM 1230 O TYR A 78 6.945 -4.128 -15.018 1.00 0.53 O ATOM 1231 CB TYR A 78 8.443 -5.957 -13.199 1.00 0.47 C ATOM 1232 CG TYR A 78 8.980 -7.291 -12.730 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.709 -7.767 -11.452 1.00 0.47 C ATOM 1234 CD2 TYR A 78 9.759 -8.078 -13.570 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.196 -8.988 -11.030 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.249 -9.300 -13.153 1.00 0.79 C ATOM 1237 CZ TYR A 78 9.966 -9.749 -11.881 1.00 0.70 C ATOM 1238 OH TYR A 78 10.452 -10.961 -11.461 1.00 0.80 O ATOM 0 H TYR A 78 7.380 -7.137 -15.144 1.00 0.56 H new ATOM 0 HA TYR A 78 6.409 -6.211 -12.564 1.00 0.48 H new ATOM 0 HB2 TYR A 78 8.973 -5.661 -14.104 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.659 -5.203 -12.442 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.108 -7.173 -10.779 1.00 0.47 H new ATOM 0 HD2 TYR A 78 9.985 -7.728 -14.566 1.00 0.70 H new ATOM 0 HE1 TYR A 78 8.974 -9.345 -10.035 1.00 0.54 H new ATOM 0 HE2 TYR A 78 10.850 -9.900 -13.820 1.00 0.79 H new ATOM 0 HH TYR A 78 9.708 -11.527 -11.167 1.00 0.80 H new ATOM 1248 N TRP A 79 5.628 -3.945 -13.223 1.00 0.47 N ATOM 1249 CA TRP A 79 5.242 -2.586 -13.534 1.00 0.51 C ATOM 1250 C TRP A 79 5.943 -1.646 -12.569 1.00 0.46 C ATOM 1251 O TRP A 79 5.590 -1.564 -11.393 1.00 0.45 O ATOM 1252 CB TRP A 79 3.724 -2.427 -13.452 1.00 0.61 C ATOM 1253 CG TRP A 79 3.149 -1.728 -14.644 1.00 0.72 C ATOM 1254 CD1 TRP A 79 2.699 -0.441 -14.705 1.00 1.33 C ATOM 1255 CD2 TRP A 79 2.975 -2.278 -15.952 1.00 1.44 C ATOM 1256 NE1 TRP A 79 2.251 -0.160 -15.973 1.00 1.23 N ATOM 1257 CE2 TRP A 79 2.410 -1.273 -16.757 1.00 1.32 C ATOM 1258 CE3 TRP A 79 3.240 -3.527 -16.522 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 2.108 -1.478 -18.100 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 2.941 -3.728 -17.855 1.00 3.53 C ATOM 1261 CH2 TRP A 79 2.380 -2.709 -18.632 1.00 3.20 C ATOM 0 H TRP A 79 5.168 -4.342 -12.404 1.00 0.47 H new ATOM 0 HA TRP A 79 5.540 -2.342 -14.554 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.265 -3.411 -13.357 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.470 -1.868 -12.551 1.00 0.61 H new ATOM 0 HD1 TRP A 79 2.696 0.254 -13.878 1.00 1.33 H new ATOM 0 HE1 TRP A 79 1.863 0.732 -16.281 1.00 1.23 H new ATOM 0 HE3 TRP A 79 3.671 -4.321 -15.930 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 1.674 -0.693 -18.701 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 3.144 -4.688 -18.305 1.00 3.53 H new ATOM 0 HH2 TRP A 79 2.157 -2.898 -19.672 1.00 3.20 H new ATOM 1272 N ILE A 80 6.950 -0.951 -13.064 1.00 0.46 N ATOM 1273 CA ILE A 80 7.801 -0.154 -12.205 1.00 0.42 C ATOM 1274 C ILE A 80 7.379 1.313 -12.236 1.00 0.42 C ATOM 1275 O ILE A 80 7.269 1.919 -13.305 1.00 0.49 O ATOM 1276 CB ILE A 80 9.301 -0.284 -12.591 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.751 -1.755 -12.627 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.166 0.481 -11.606 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.429 -2.477 -13.917 1.00 0.55 C ATOM 0 H ILE A 80 7.197 -0.923 -14.053 1.00 0.46 H new ATOM 0 HA ILE A 80 7.682 -0.538 -11.192 1.00 0.42 H new ATOM 0 HB ILE A 80 9.418 0.137 -13.590 1.00 0.43 H new ATOM 0 HG12 ILE A 80 10.827 -1.797 -12.461 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.280 -2.287 -11.800 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.214 0.381 -11.888 1.00 0.40 H new ATOM 0 HG22 ILE A 80 9.886 1.534 -11.617 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.020 0.077 -10.604 1.00 0.40 H new ATOM 0 HD11 ILE A 80 9.781 -3.507 -13.855 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.351 -2.471 -14.078 1.00 0.55 H new ATOM 0 HD13 ILE A 80 9.923 -1.974 -14.748 1.00 0.55 H new ATOM 1291 N ARG A 81 7.126 1.867 -11.058 1.00 0.41 N ATOM 1292 CA ARG A 81 6.716 3.259 -10.922 1.00 0.44 C ATOM 1293 C ARG A 81 7.490 3.896 -9.773 1.00 0.35 C ATOM 1294 O ARG A 81 7.967 3.195 -8.885 1.00 0.42 O ATOM 1295 CB ARG A 81 5.204 3.346 -10.677 1.00 0.57 C ATOM 1296 CG ARG A 81 4.776 2.924 -9.281 1.00 1.21 C ATOM 1297 CD ARG A 81 3.285 2.624 -9.213 1.00 1.97 C ATOM 1298 NE ARG A 81 2.462 3.698 -9.772 1.00 2.78 N ATOM 1299 CZ ARG A 81 1.127 3.714 -9.716 1.00 3.79 C ATOM 1300 NH1 ARG A 81 0.477 2.751 -9.069 1.00 4.16 N ATOM 1301 NH2 ARG A 81 0.444 4.690 -10.296 1.00 4.76 N ATOM 0 H ARG A 81 7.199 1.367 -10.172 1.00 0.41 H new ATOM 0 HA ARG A 81 6.937 3.799 -11.843 1.00 0.44 H new ATOM 0 HB2 ARG A 81 4.877 4.371 -10.851 1.00 0.57 H new ATOM 0 HB3 ARG A 81 4.692 2.720 -11.407 1.00 0.57 H new ATOM 0 HG2 ARG A 81 5.339 2.040 -8.980 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.020 3.714 -8.571 1.00 1.21 H new ATOM 0 HD2 ARG A 81 3.081 1.699 -9.752 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.000 2.458 -8.174 1.00 1.97 H new ATOM 0 HE ARG A 81 2.934 4.478 -10.230 1.00 2.78 H new ATOM 0 HH11 ARG A 81 0.997 2.000 -8.615 1.00 4.16 H new ATOM 0 HH12 ARG A 81 -0.542 2.763 -9.026 1.00 4.16 H new ATOM 0 HH21 ARG A 81 0.937 5.435 -10.789 1.00 4.76 H new ATOM 0 HH22 ARG A 81 -0.575 4.697 -10.250 1.00 4.76 H new ATOM 1315 N THR A 82 7.615 5.210 -9.781 1.00 0.41 N ATOM 1316 CA THR A 82 8.485 5.885 -8.833 1.00 0.35 C ATOM 1317 C THR A 82 7.733 6.281 -7.565 1.00 0.32 C ATOM 1318 O THR A 82 6.625 6.798 -7.630 1.00 0.36 O ATOM 1319 CB THR A 82 9.131 7.134 -9.480 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.749 6.758 -10.720 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.182 7.779 -8.570 1.00 0.36 C ATOM 0 H THR A 82 7.129 5.829 -10.429 1.00 0.41 H new ATOM 0 HA THR A 82 9.271 5.183 -8.553 1.00 0.35 H new ATOM 0 HB THR A 82 8.341 7.866 -9.647 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.467 6.115 -10.546 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.607 8.651 -9.067 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.714 8.086 -7.635 1.00 0.36 H new ATOM 0 HG23 THR A 82 10.973 7.059 -8.361 1.00 0.36 H new ATOM 1329 N PHE A 83 8.337 5.995 -6.424 1.00 0.27 N ATOM 1330 CA PHE A 83 7.872 6.487 -5.134 1.00 0.26 C ATOM 1331 C PHE A 83 8.856 7.532 -4.634 1.00 0.26 C ATOM 1332 O PHE A 83 10.025 7.495 -4.982 1.00 0.36 O ATOM 1333 CB PHE A 83 7.771 5.352 -4.103 1.00 0.26 C ATOM 1334 CG PHE A 83 6.446 4.631 -4.067 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.270 5.307 -3.791 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.391 3.267 -4.283 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.062 4.630 -3.741 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.196 2.582 -4.231 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.026 3.265 -3.961 1.00 0.42 C ATOM 0 H PHE A 83 9.171 5.410 -6.364 1.00 0.27 H new ATOM 0 HA PHE A 83 6.878 6.916 -5.260 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.556 4.625 -4.309 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.969 5.763 -3.113 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.294 6.372 -3.613 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.302 2.727 -4.497 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.149 5.168 -3.530 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.174 1.516 -4.401 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.086 2.735 -3.922 1.00 0.42 H new ATOM 1349 N VAL A 84 8.387 8.455 -3.827 1.00 0.24 N ATOM 1350 CA VAL A 84 9.218 9.537 -3.316 1.00 0.24 C ATOM 1351 C VAL A 84 8.676 10.006 -1.971 1.00 0.24 C ATOM 1352 O VAL A 84 7.490 9.842 -1.686 1.00 0.27 O ATOM 1353 CB VAL A 84 9.271 10.752 -4.284 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.131 10.473 -5.512 1.00 0.30 C ATOM 1355 CG2 VAL A 84 7.873 11.151 -4.706 1.00 0.29 C ATOM 0 H VAL A 84 7.420 8.483 -3.502 1.00 0.24 H new ATOM 0 HA VAL A 84 10.229 9.144 -3.213 1.00 0.24 H new ATOM 0 HB VAL A 84 9.734 11.576 -3.742 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.138 11.351 -6.159 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.150 10.245 -5.199 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.721 9.623 -6.058 1.00 0.30 H new ATOM 0 HG21 VAL A 84 7.927 12.003 -5.384 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.393 10.314 -5.213 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.291 11.424 -3.826 1.00 0.29 H new ATOM 1365 N PRO A 85 9.538 10.570 -1.120 1.00 0.35 N ATOM 1366 CA PRO A 85 9.123 11.127 0.167 1.00 0.34 C ATOM 1367 C PRO A 85 8.171 12.304 -0.009 1.00 0.38 C ATOM 1368 O PRO A 85 8.373 13.158 -0.873 1.00 0.52 O ATOM 1369 CB PRO A 85 10.439 11.592 0.804 1.00 0.49 C ATOM 1370 CG PRO A 85 11.382 11.754 -0.338 1.00 0.78 C ATOM 1371 CD PRO A 85 10.987 10.710 -1.341 1.00 0.56 C ATOM 0 HA PRO A 85 8.582 10.401 0.774 1.00 0.34 H new ATOM 0 HB2 PRO A 85 10.307 12.530 1.343 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.810 10.861 1.522 1.00 0.49 H new ATOM 0 HG2 PRO A 85 11.311 12.754 -0.765 1.00 0.78 H new ATOM 0 HG3 PRO A 85 12.414 11.617 -0.016 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.211 11.024 -2.360 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.513 9.770 -1.174 1.00 0.56 H new ATOM 1379 N SER A 86 7.121 12.323 0.798 1.00 0.34 N ATOM 1380 CA SER A 86 6.156 13.409 0.786 1.00 0.46 C ATOM 1381 C SER A 86 6.684 14.563 1.643 1.00 0.58 C ATOM 1382 O SER A 86 7.876 14.871 1.611 1.00 0.93 O ATOM 1383 CB SER A 86 4.813 12.903 1.321 1.00 0.53 C ATOM 1384 OG SER A 86 3.751 13.801 1.031 1.00 1.27 O ATOM 0 H SER A 86 6.915 11.589 1.476 1.00 0.34 H new ATOM 0 HA SER A 86 6.009 13.769 -0.232 1.00 0.46 H new ATOM 0 HB2 SER A 86 4.593 11.929 0.885 1.00 0.53 H new ATOM 0 HB3 SER A 86 4.883 12.761 2.399 1.00 0.53 H new ATOM 0 HG SER A 86 2.897 13.390 1.282 1.00 1.27 H new ATOM 1390 N SER A 87 5.811 15.186 2.420 1.00 0.75 N ATOM 1391 CA SER A 87 6.200 16.309 3.258 1.00 0.90 C ATOM 1392 C SER A 87 7.110 15.862 4.407 1.00 0.79 C ATOM 1393 O SER A 87 7.744 16.689 5.065 1.00 0.89 O ATOM 1394 CB SER A 87 4.950 17.001 3.798 1.00 1.12 C ATOM 1395 OG SER A 87 4.080 17.364 2.737 1.00 1.70 O ATOM 0 H SER A 87 4.826 14.932 2.487 1.00 0.75 H new ATOM 0 HA SER A 87 6.767 17.014 2.650 1.00 0.90 H new ATOM 0 HB2 SER A 87 4.431 16.337 4.490 1.00 1.12 H new ATOM 0 HB3 SER A 87 5.235 17.889 4.362 1.00 1.12 H new ATOM 0 HG SER A 87 3.284 17.804 3.102 1.00 1.70 H new ATOM 1401 N ARG A 88 7.175 14.554 4.642 1.00 0.64 N ATOM 1402 CA ARG A 88 8.058 13.996 5.666 1.00 0.58 C ATOM 1403 C ARG A 88 8.342 12.522 5.383 1.00 0.49 C ATOM 1404 O ARG A 88 7.509 11.829 4.794 1.00 0.46 O ATOM 1405 CB ARG A 88 7.456 14.155 7.072 1.00 0.66 C ATOM 1406 CG ARG A 88 6.115 13.464 7.271 1.00 0.75 C ATOM 1407 CD ARG A 88 4.949 14.420 7.081 1.00 1.11 C ATOM 1408 NE ARG A 88 5.031 15.580 7.967 1.00 1.51 N ATOM 1409 CZ ARG A 88 4.010 16.049 8.680 1.00 1.84 C ATOM 1410 NH1 ARG A 88 2.847 15.413 8.687 1.00 1.95 N ATOM 1411 NH2 ARG A 88 4.165 17.141 9.410 1.00 2.59 N ATOM 0 H ARG A 88 6.626 13.858 4.137 1.00 0.64 H new ATOM 0 HA ARG A 88 8.995 14.552 5.632 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.164 13.762 7.802 1.00 0.66 H new ATOM 0 HB3 ARG A 88 7.337 15.218 7.283 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.025 12.637 6.566 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.073 13.035 8.272 1.00 0.75 H new ATOM 0 HD2 ARG A 88 4.925 14.758 6.045 1.00 1.11 H new ATOM 0 HD3 ARG A 88 4.014 13.890 7.265 1.00 1.11 H new ATOM 0 HE ARG A 88 5.928 16.060 8.043 1.00 1.51 H new ATOM 0 HH11 ARG A 88 2.730 14.558 8.143 1.00 1.95 H new ATOM 0 HH12 ARG A 88 2.069 15.779 9.236 1.00 1.95 H new ATOM 0 HH21 ARG A 88 5.065 17.621 9.425 1.00 2.59 H new ATOM 0 HH22 ARG A 88 3.385 17.503 9.958 1.00 2.59 H new ATOM 1425 N PRO A 89 9.536 12.030 5.778 1.00 0.49 N ATOM 1426 CA PRO A 89 9.914 10.622 5.604 1.00 0.48 C ATOM 1427 C PRO A 89 8.914 9.678 6.262 1.00 0.48 C ATOM 1428 O PRO A 89 8.524 9.874 7.412 1.00 0.62 O ATOM 1429 CB PRO A 89 11.282 10.519 6.288 1.00 0.58 C ATOM 1430 CG PRO A 89 11.809 11.913 6.293 1.00 0.70 C ATOM 1431 CD PRO A 89 10.610 12.809 6.420 1.00 0.56 C ATOM 0 HA PRO A 89 9.936 10.334 4.553 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.190 10.127 7.301 1.00 0.58 H new ATOM 0 HB3 PRO A 89 11.946 9.847 5.745 1.00 0.58 H new ATOM 0 HG2 PRO A 89 12.500 12.066 7.122 1.00 0.70 H new ATOM 0 HG3 PRO A 89 12.359 12.125 5.376 1.00 0.70 H new ATOM 0 HD2 PRO A 89 10.380 13.028 7.463 1.00 0.56 H new ATOM 0 HD3 PRO A 89 10.767 13.765 5.921 1.00 0.56 H new ATOM 1439 N GLY A 90 8.494 8.666 5.519 1.00 0.41 N ATOM 1440 CA GLY A 90 7.465 7.769 5.992 1.00 0.42 C ATOM 1441 C GLY A 90 6.175 8.003 5.243 1.00 0.38 C ATOM 1442 O GLY A 90 5.502 7.062 4.835 1.00 0.43 O ATOM 0 H GLY A 90 8.852 8.450 4.589 1.00 0.41 H new ATOM 0 HA2 GLY A 90 7.786 6.736 5.861 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.305 7.920 7.060 1.00 0.42 H new ATOM 1446 N GLN A 91 5.853 9.276 5.062 1.00 0.33 N ATOM 1447 CA GLN A 91 4.737 9.698 4.230 1.00 0.31 C ATOM 1448 C GLN A 91 5.208 9.665 2.780 1.00 0.26 C ATOM 1449 O GLN A 91 6.175 10.344 2.435 1.00 0.30 O ATOM 1450 CB GLN A 91 4.324 11.118 4.623 1.00 0.39 C ATOM 1451 CG GLN A 91 3.117 11.649 3.873 1.00 0.61 C ATOM 1452 CD GLN A 91 2.885 13.124 4.134 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.827 13.877 4.365 1.00 1.11 O ATOM 1454 NE2 GLN A 91 1.636 13.547 4.096 1.00 1.03 N ATOM 0 H GLN A 91 6.362 10.049 5.491 1.00 0.33 H new ATOM 0 HA GLN A 91 3.877 9.041 4.360 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.111 11.139 5.692 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.166 11.789 4.453 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.256 11.488 2.804 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.231 11.086 4.168 1.00 0.61 H new ATOM 0 HE21 GLN A 91 0.881 12.890 3.901 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.426 14.531 4.262 1.00 1.03 H new ATOM 1463 N PHE A 92 4.575 8.869 1.935 1.00 0.24 N ATOM 1464 CA PHE A 92 5.106 8.675 0.590 1.00 0.24 C ATOM 1465 C PHE A 92 4.165 9.156 -0.492 1.00 0.26 C ATOM 1466 O PHE A 92 2.948 9.065 -0.371 1.00 0.35 O ATOM 1467 CB PHE A 92 5.459 7.209 0.344 1.00 0.31 C ATOM 1468 CG PHE A 92 6.628 6.738 1.153 1.00 0.33 C ATOM 1469 CD1 PHE A 92 7.852 7.378 1.052 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.508 5.658 2.010 1.00 0.42 C ATOM 1471 CE1 PHE A 92 8.934 6.951 1.792 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.587 5.226 2.754 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.801 5.875 2.644 1.00 0.48 C ATOM 0 H PHE A 92 3.717 8.358 2.144 1.00 0.24 H new ATOM 0 HA PHE A 92 6.009 9.283 0.536 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.592 6.590 0.576 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.678 7.068 -0.714 1.00 0.31 H new ATOM 0 HD1 PHE A 92 7.960 8.221 0.386 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.560 5.148 2.097 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.884 7.458 1.705 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.482 4.383 3.420 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.647 5.540 3.226 1.00 0.48 H new ATOM 1483 N THR A 93 4.768 9.663 -1.545 1.00 0.23 N ATOM 1484 CA THR A 93 4.068 10.076 -2.740 1.00 0.27 C ATOM 1485 C THR A 93 4.688 9.346 -3.925 1.00 0.26 C ATOM 1486 O THR A 93 5.647 8.592 -3.753 1.00 0.25 O ATOM 1487 CB THR A 93 4.162 11.604 -2.959 1.00 0.35 C ATOM 1488 OG1 THR A 93 5.533 12.018 -2.963 1.00 1.29 O ATOM 1489 CG2 THR A 93 3.419 12.370 -1.878 1.00 0.92 C ATOM 0 H THR A 93 5.777 9.802 -1.595 1.00 0.23 H new ATOM 0 HA THR A 93 3.011 9.828 -2.637 1.00 0.27 H new ATOM 0 HB THR A 93 3.701 11.824 -3.922 1.00 0.35 H new ATOM 0 HG1 THR A 93 5.582 12.987 -3.104 1.00 1.29 H new ATOM 0 HG21 THR A 93 3.507 13.440 -2.065 1.00 0.92 H new ATOM 0 HG22 THR A 93 2.367 12.085 -1.888 1.00 0.92 H new ATOM 0 HG23 THR A 93 3.849 12.135 -0.904 1.00 0.92 H new ATOM 1497 N LEU A 94 4.155 9.550 -5.114 1.00 0.34 N ATOM 1498 CA LEU A 94 4.732 8.944 -6.301 1.00 0.37 C ATOM 1499 C LEU A 94 5.678 9.926 -6.964 1.00 0.34 C ATOM 1500 O LEU A 94 5.423 11.131 -6.998 1.00 0.39 O ATOM 1501 CB LEU A 94 3.641 8.562 -7.309 1.00 0.54 C ATOM 1502 CG LEU A 94 2.830 7.306 -6.994 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.738 6.094 -6.973 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.111 7.449 -5.671 1.00 0.75 C ATOM 0 H LEU A 94 3.330 10.125 -5.285 1.00 0.34 H new ATOM 0 HA LEU A 94 5.266 8.044 -5.995 1.00 0.37 H new ATOM 0 HB2 LEU A 94 2.950 9.400 -7.398 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.109 8.430 -8.284 1.00 0.54 H new ATOM 0 HG LEU A 94 2.081 7.173 -7.775 1.00 0.50 H new ATOM 0 HD11 LEU A 94 3.151 5.204 -6.748 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.213 5.978 -7.947 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.504 6.227 -6.209 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.540 6.543 -5.467 1.00 0.75 H new ATOM 0 HD22 LEU A 94 2.840 7.605 -4.876 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.434 8.302 -5.715 1.00 0.75 H new ATOM 1516 N GLY A 95 6.779 9.381 -7.475 1.00 0.32 N ATOM 1517 CA GLY A 95 7.805 10.164 -8.142 1.00 0.34 C ATOM 1518 C GLY A 95 7.235 10.995 -9.276 1.00 0.46 C ATOM 1519 O GLY A 95 7.820 11.993 -9.685 1.00 0.88 O ATOM 0 H GLY A 95 6.981 8.382 -7.436 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.288 10.820 -7.418 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.574 9.497 -8.532 1.00 0.34 H new ATOM 1523 N ASN A 96 6.086 10.561 -9.779 1.00 0.57 N ATOM 1524 CA ASN A 96 5.367 11.271 -10.825 1.00 0.71 C ATOM 1525 C ASN A 96 3.875 11.343 -10.497 1.00 0.61 C ATOM 1526 O ASN A 96 3.035 11.355 -11.397 1.00 0.66 O ATOM 1527 CB ASN A 96 5.570 10.579 -12.181 1.00 0.98 C ATOM 1528 CG ASN A 96 5.032 9.153 -12.214 1.00 1.89 C ATOM 1529 OD1 ASN A 96 5.035 8.443 -11.206 1.00 2.72 O ATOM 1530 ND2 ASN A 96 4.564 8.729 -13.378 1.00 2.42 N ATOM 0 H ASN A 96 5.627 9.704 -9.471 1.00 0.57 H new ATOM 0 HA ASN A 96 5.764 12.285 -10.883 1.00 0.71 H new ATOM 0 HB2 ASN A 96 5.078 11.164 -12.958 1.00 0.98 H new ATOM 0 HB3 ASN A 96 6.634 10.565 -12.419 1.00 0.98 H new ATOM 0 HD21 ASN A 96 4.189 7.784 -13.463 1.00 2.42 H new ATOM 0 HD22 ASN A 96 4.579 9.347 -14.189 1.00 2.42 H new ATOM 1537 N ILE A 97 3.543 11.411 -9.205 1.00 0.55 N ATOM 1538 CA ILE A 97 2.143 11.410 -8.772 1.00 0.57 C ATOM 1539 C ILE A 97 1.399 12.623 -9.310 1.00 0.74 C ATOM 1540 O ILE A 97 0.225 12.543 -9.663 1.00 0.88 O ATOM 1541 CB ILE A 97 1.984 11.387 -7.229 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.500 11.312 -6.853 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.634 12.613 -6.593 1.00 0.60 C ATOM 1544 CD1 ILE A 97 -0.172 10.033 -7.305 1.00 1.20 C ATOM 0 H ILE A 97 4.220 11.467 -8.444 1.00 0.55 H new ATOM 0 HA ILE A 97 1.717 10.492 -9.177 1.00 0.57 H new ATOM 0 HB ILE A 97 2.491 10.501 -6.846 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.402 11.402 -5.771 1.00 0.68 H new ATOM 0 HG13 ILE A 97 -0.022 12.162 -7.292 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.508 12.572 -5.511 1.00 0.60 H new ATOM 0 HG22 ILE A 97 3.697 12.628 -6.834 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.162 13.517 -6.979 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -1.220 10.047 -7.006 1.00 1.20 H new ATOM 0 HD12 ILE A 97 -0.105 9.951 -8.390 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.325 9.179 -6.845 1.00 1.20 H new ATOM 1556 N HIS A 98 2.090 13.742 -9.399 1.00 0.85 N ATOM 1557 CA HIS A 98 1.448 14.977 -9.789 1.00 1.12 C ATOM 1558 C HIS A 98 1.378 15.081 -11.308 1.00 1.14 C ATOM 1559 O HIS A 98 0.962 16.100 -11.856 1.00 1.38 O ATOM 1560 CB HIS A 98 2.172 16.168 -9.172 1.00 1.38 C ATOM 1561 CG HIS A 98 1.307 17.387 -9.069 1.00 2.01 C ATOM 1562 ND1 HIS A 98 1.630 18.604 -9.626 1.00 2.88 N ATOM 1563 CD2 HIS A 98 0.112 17.564 -8.458 1.00 2.69 C ATOM 1564 CE1 HIS A 98 0.671 19.473 -9.363 1.00 3.63 C ATOM 1565 NE2 HIS A 98 -0.263 18.868 -8.654 1.00 3.56 N ATOM 0 H HIS A 98 3.089 13.820 -9.208 1.00 0.85 H new ATOM 0 HA HIS A 98 0.425 14.983 -9.412 1.00 1.12 H new ATOM 0 HB2 HIS A 98 2.527 15.896 -8.178 1.00 1.38 H new ATOM 0 HB3 HIS A 98 3.052 16.402 -9.772 1.00 1.38 H new ATOM 0 HD2 HIS A 98 -0.445 16.814 -7.915 1.00 2.69 H new ATOM 0 HE1 HIS A 98 0.654 20.507 -9.676 1.00 3.63 H new ATOM 0 HE2 HIS A 98 -1.121 19.299 -8.309 1.00 3.56 H new ATOM 1574 N SER A 99 1.793 14.016 -11.982 1.00 0.99 N ATOM 1575 CA SER A 99 1.616 13.915 -13.417 1.00 1.16 C ATOM 1576 C SER A 99 0.249 13.300 -13.706 1.00 1.22 C ATOM 1577 O SER A 99 -0.212 13.270 -14.850 1.00 1.30 O ATOM 1578 CB SER A 99 2.733 13.078 -14.047 1.00 1.24 C ATOM 1579 OG SER A 99 2.681 13.142 -15.462 1.00 1.79 O ATOM 0 H SER A 99 2.254 13.213 -11.554 1.00 0.99 H new ATOM 0 HA SER A 99 1.666 14.911 -13.858 1.00 1.16 H new ATOM 0 HB2 SER A 99 3.701 13.437 -13.699 1.00 1.24 H new ATOM 0 HB3 SER A 99 2.642 12.041 -13.723 1.00 1.24 H new ATOM 0 HG SER A 99 1.755 13.283 -15.749 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.391 12.809 -12.653 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.753 12.321 -12.741 1.00 1.30 C ATOM 1587 C TYR A 100 -2.714 13.499 -12.590 1.00 1.17 C ATOM 1588 O TYR A 100 -2.617 14.279 -11.643 1.00 1.30 O ATOM 1589 CB TYR A 100 -2.017 11.260 -11.673 1.00 1.63 C ATOM 1590 CG TYR A 100 -1.138 10.028 -11.782 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -1.410 9.030 -12.710 1.00 3.75 C ATOM 1592 CD2 TYR A 100 -0.042 9.858 -10.946 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -0.613 7.902 -12.800 1.00 4.83 C ATOM 1594 CE2 TYR A 100 0.755 8.735 -11.028 1.00 3.91 C ATOM 1595 CZ TYR A 100 0.468 7.760 -11.955 1.00 4.89 C ATOM 1596 OH TYR A 100 1.261 6.637 -12.031 1.00 5.98 O ATOM 0 H TYR A 100 0.019 12.740 -11.722 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.909 11.853 -13.713 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.873 11.708 -10.690 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -3.061 10.953 -11.734 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -2.257 9.136 -13.372 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.191 10.620 -10.217 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -0.836 7.137 -13.528 1.00 4.83 H new ATOM 0 HE2 TYR A 100 1.601 8.622 -10.367 1.00 3.91 H new ATOM 0 HH TYR A 100 2.097 6.794 -11.545 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.647 13.637 -13.539 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.481 14.840 -13.682 1.00 1.04 C ATOM 1608 C PRO A 101 -5.569 14.986 -12.617 1.00 0.89 C ATOM 1609 O PRO A 101 -5.810 16.084 -12.117 1.00 0.94 O ATOM 1610 CB PRO A 101 -5.115 14.655 -15.060 1.00 1.19 C ATOM 1611 CG PRO A 101 -5.166 13.179 -15.261 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.961 12.620 -14.556 1.00 1.21 C ATOM 0 HA PRO A 101 -3.882 15.743 -13.566 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.112 15.094 -15.099 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.523 15.140 -15.836 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -6.086 12.761 -14.851 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -5.148 12.929 -16.322 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -4.176 11.653 -14.102 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -3.128 12.471 -15.244 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.226 13.889 -12.282 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.370 13.929 -11.379 1.00 0.74 C ATOM 1622 C GLN A 102 -6.933 13.790 -9.925 1.00 0.63 C ATOM 1623 O GLN A 102 -7.662 14.163 -9.003 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.336 12.804 -11.746 1.00 0.83 C ATOM 1625 CG GLN A 102 -9.578 12.730 -10.877 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.420 11.509 -11.197 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -11.727 11.619 -11.009 1.00 1.95 O flip ATOM 1628 NE2 GLN A 102 -9.900 10.474 -11.608 1.00 1.73 N flip ATOM 0 H GLN A 102 -5.989 12.957 -12.621 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.865 14.894 -11.485 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.642 12.930 -12.785 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -7.807 11.853 -11.683 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -9.286 12.705 -9.827 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -10.175 13.631 -11.020 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -8.890 10.428 -11.740 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -10.479 9.661 -11.817 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.742 13.253 -9.729 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.244 12.968 -8.397 1.00 0.51 C ATOM 1639 C ILE A 103 -5.011 14.255 -7.610 1.00 0.52 C ATOM 1640 O ILE A 103 -4.210 15.110 -7.989 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.951 12.105 -8.437 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -4.275 10.660 -8.850 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.242 12.118 -7.083 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.812 10.503 -10.264 1.00 1.10 C ATOM 0 H ILE A 103 -5.099 13.005 -10.481 1.00 0.60 H new ATOM 0 HA ILE A 103 -6.011 12.388 -7.884 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.283 12.540 -9.180 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -3.372 10.058 -8.751 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -5.007 10.253 -8.152 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.341 11.507 -7.138 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.971 13.142 -6.824 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.908 11.715 -6.320 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -5.011 9.450 -10.463 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.736 11.072 -10.368 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -4.075 10.874 -10.976 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.762 14.378 -6.525 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.688 15.522 -5.628 1.00 0.48 C ATOM 1658 C GLN A 104 -4.401 15.444 -4.830 1.00 0.50 C ATOM 1659 O GLN A 104 -3.642 16.407 -4.726 1.00 0.63 O ATOM 1660 CB GLN A 104 -6.881 15.486 -4.668 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.184 15.097 -5.342 1.00 0.43 C ATOM 1662 CD GLN A 104 -8.825 16.255 -6.082 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.642 17.027 -5.383 1.00 1.40 O flip ATOM 1664 NE2 GLN A 104 -8.586 16.453 -7.269 1.00 0.98 N flip ATOM 0 H GLN A 104 -6.447 13.679 -6.240 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.708 16.447 -6.205 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.671 14.780 -3.865 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -6.997 16.467 -4.207 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -7.998 14.282 -6.041 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -8.879 14.721 -4.591 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -7.950 15.834 -7.771 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.023 17.237 -7.753 1.00 0.98 H new ATOM 1673 N SER A 105 -4.182 14.271 -4.265 1.00 0.40 N ATOM 1674 CA SER A 105 -3.001 13.970 -3.487 1.00 0.41 C ATOM 1675 C SER A 105 -2.851 12.462 -3.398 1.00 0.36 C ATOM 1676 O SER A 105 -3.811 11.723 -3.634 1.00 0.39 O ATOM 1677 CB SER A 105 -3.111 14.563 -2.077 1.00 0.48 C ATOM 1678 OG SER A 105 -3.127 15.980 -2.112 1.00 1.13 O ATOM 0 H SER A 105 -4.833 13.489 -4.337 1.00 0.40 H new ATOM 0 HA SER A 105 -2.130 14.410 -3.972 1.00 0.41 H new ATOM 0 HB2 SER A 105 -4.020 14.199 -1.597 1.00 0.48 H new ATOM 0 HB3 SER A 105 -2.272 14.222 -1.471 1.00 0.48 H new ATOM 0 HG SER A 105 -2.986 16.286 -3.032 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.658 12.000 -3.087 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.443 10.588 -2.859 1.00 0.34 C ATOM 1686 C TYR A 106 -0.357 10.407 -1.813 1.00 0.36 C ATOM 1687 O TYR A 106 0.810 10.686 -2.067 1.00 0.40 O ATOM 1688 CB TYR A 106 -1.068 9.870 -4.159 1.00 0.37 C ATOM 1689 CG TYR A 106 -1.171 8.368 -4.049 1.00 0.38 C ATOM 1690 CD1 TYR A 106 -0.122 7.626 -3.540 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -2.325 7.699 -4.428 1.00 0.39 C ATOM 1692 CE1 TYR A 106 -0.213 6.254 -3.413 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -2.425 6.326 -4.310 1.00 0.43 C ATOM 1694 CZ TYR A 106 -1.366 5.607 -3.802 1.00 0.46 C ATOM 1695 OH TYR A 106 -1.464 4.240 -3.676 1.00 0.52 O ATOM 0 H TYR A 106 -0.825 12.580 -2.987 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.370 10.144 -2.496 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.720 10.216 -4.961 1.00 0.37 H new ATOM 0 HB3 TYR A 106 -0.049 10.140 -4.437 1.00 0.37 H new ATOM 0 HD1 TYR A 106 0.785 8.128 -3.236 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -3.159 8.260 -4.822 1.00 0.39 H new ATOM 0 HE1 TYR A 106 0.616 5.690 -3.011 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -3.329 5.819 -4.615 1.00 0.43 H new ATOM 0 HH TYR A 106 -2.342 3.944 -3.995 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.753 9.945 -0.638 1.00 0.34 N ATOM 1706 CA ASP A 107 0.174 9.776 0.472 1.00 0.36 C ATOM 1707 C ASP A 107 0.041 8.382 1.058 1.00 0.38 C ATOM 1708 O ASP A 107 -1.025 7.993 1.523 1.00 0.46 O ATOM 1709 CB ASP A 107 -0.077 10.808 1.580 1.00 0.48 C ATOM 1710 CG ASP A 107 0.160 12.244 1.140 1.00 1.27 C ATOM 1711 OD1 ASP A 107 1.315 12.714 1.208 1.00 2.25 O ATOM 1712 OD2 ASP A 107 -0.821 12.924 0.767 1.00 1.31 O ATOM 0 H ASP A 107 -1.715 9.679 -0.427 1.00 0.34 H new ATOM 0 HA ASP A 107 1.180 9.923 0.080 1.00 0.36 H new ATOM 0 HB2 ASP A 107 -1.104 10.709 1.931 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.572 10.585 2.427 1.00 0.48 H new ATOM 1717 N VAL A 108 1.125 7.638 1.027 1.00 0.38 N ATOM 1718 CA VAL A 108 1.175 6.308 1.623 1.00 0.44 C ATOM 1719 C VAL A 108 2.230 6.303 2.705 1.00 0.47 C ATOM 1720 O VAL A 108 3.388 6.602 2.462 1.00 0.58 O ATOM 1721 CB VAL A 108 1.441 5.200 0.567 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.730 5.830 -0.771 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.574 4.260 0.973 1.00 0.70 C ATOM 0 H VAL A 108 1.999 7.932 0.590 1.00 0.38 H new ATOM 0 HA VAL A 108 0.202 6.080 2.057 1.00 0.44 H new ATOM 0 HB VAL A 108 0.540 4.590 0.499 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.916 5.049 -1.508 1.00 0.68 H new ATOM 0 HG12 VAL A 108 0.874 6.428 -1.084 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.609 6.469 -0.690 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.716 3.506 0.199 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.494 4.831 1.097 1.00 0.70 H new ATOM 0 HG23 VAL A 108 2.321 3.771 1.914 1.00 0.70 H new ATOM 1733 N GLN A 109 1.812 6.034 3.911 1.00 0.44 N ATOM 1734 CA GLN A 109 2.690 6.150 5.039 1.00 0.50 C ATOM 1735 C GLN A 109 2.517 4.964 5.966 1.00 0.30 C ATOM 1736 O GLN A 109 1.405 4.618 6.367 1.00 0.29 O ATOM 1737 CB GLN A 109 2.468 7.500 5.745 1.00 0.85 C ATOM 1738 CG GLN A 109 1.097 7.719 6.381 1.00 0.92 C ATOM 1739 CD GLN A 109 -0.096 7.576 5.437 1.00 2.08 C ATOM 1740 OE1 GLN A 109 -1.164 7.147 5.843 1.00 2.86 O ATOM 1741 NE2 GLN A 109 0.058 7.982 4.190 1.00 2.81 N ATOM 0 H GLN A 109 0.864 5.732 4.137 1.00 0.44 H new ATOM 0 HA GLN A 109 3.726 6.134 4.701 1.00 0.50 H new ATOM 0 HB2 GLN A 109 3.225 7.608 6.521 1.00 0.85 H new ATOM 0 HB3 GLN A 109 2.639 8.296 5.020 1.00 0.85 H new ATOM 0 HG2 GLN A 109 0.978 7.009 7.199 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.074 8.717 6.819 1.00 0.92 H new ATOM 0 HE21 GLN A 109 0.962 8.336 3.877 1.00 2.81 H new ATOM 0 HE22 GLN A 109 -0.727 7.941 3.540 1.00 2.81 H new ATOM 1750 N VAL A 110 3.626 4.311 6.255 1.00 0.33 N ATOM 1751 CA VAL A 110 3.604 3.078 7.009 1.00 0.27 C ATOM 1752 C VAL A 110 3.573 3.357 8.511 1.00 0.30 C ATOM 1753 O VAL A 110 4.393 4.109 9.043 1.00 0.41 O ATOM 1754 CB VAL A 110 4.806 2.178 6.632 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.136 2.867 6.911 1.00 0.76 C ATOM 1756 CG2 VAL A 110 4.727 0.843 7.352 1.00 0.77 C ATOM 0 H VAL A 110 4.558 4.618 5.976 1.00 0.33 H new ATOM 0 HA VAL A 110 2.691 2.541 6.751 1.00 0.27 H new ATOM 0 HB VAL A 110 4.753 1.994 5.559 1.00 0.37 H new ATOM 0 HG11 VAL A 110 6.955 2.203 6.633 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.199 3.785 6.327 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.206 3.106 7.972 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.582 0.227 7.072 1.00 0.77 H new ATOM 0 HG22 VAL A 110 4.737 1.009 8.429 1.00 0.77 H new ATOM 0 HG23 VAL A 110 3.805 0.333 7.072 1.00 0.77 H new ATOM 1766 N ALA A 111 2.600 2.753 9.179 1.00 0.29 N ATOM 1767 CA ALA A 111 2.398 2.958 10.602 1.00 0.36 C ATOM 1768 C ALA A 111 3.351 2.103 11.415 1.00 0.37 C ATOM 1769 O ALA A 111 3.796 2.499 12.491 1.00 0.44 O ATOM 1770 CB ALA A 111 0.959 2.642 10.976 1.00 0.42 C ATOM 0 H ALA A 111 1.933 2.111 8.751 1.00 0.29 H new ATOM 0 HA ALA A 111 2.603 4.004 10.829 1.00 0.36 H new ATOM 0 HB1 ALA A 111 0.818 2.799 12.045 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.287 3.297 10.421 1.00 0.42 H new ATOM 0 HB3 ALA A 111 0.739 1.603 10.730 1.00 0.42 H new ATOM 1776 N ASP A 112 3.667 0.931 10.890 1.00 0.35 N ATOM 1777 CA ASP A 112 4.553 0.001 11.571 1.00 0.46 C ATOM 1778 C ASP A 112 5.372 -0.746 10.538 1.00 0.37 C ATOM 1779 O ASP A 112 4.836 -1.534 9.769 1.00 0.35 O ATOM 1780 CB ASP A 112 3.753 -0.993 12.401 1.00 0.67 C ATOM 1781 CG ASP A 112 4.502 -1.462 13.630 1.00 1.36 C ATOM 1782 OD1 ASP A 112 5.260 -2.449 13.537 1.00 1.88 O ATOM 1783 OD2 ASP A 112 4.329 -0.842 14.701 1.00 2.20 O ATOM 0 H ASP A 112 3.321 0.599 9.990 1.00 0.35 H new ATOM 0 HA ASP A 112 5.209 0.560 12.238 1.00 0.46 H new ATOM 0 HB2 ASP A 112 2.814 -0.532 12.707 1.00 0.67 H new ATOM 0 HB3 ASP A 112 3.499 -1.855 11.784 1.00 0.67 H new ATOM 1788 N THR A 113 6.650 -0.450 10.487 1.00 0.37 N ATOM 1789 CA THR A 113 7.533 -1.025 9.484 1.00 0.36 C ATOM 1790 C THR A 113 8.859 -1.447 10.106 1.00 0.44 C ATOM 1791 O THR A 113 9.405 -0.743 10.958 1.00 0.55 O ATOM 1792 CB THR A 113 7.796 -0.016 8.344 1.00 0.37 C ATOM 1793 OG1 THR A 113 8.748 -0.533 7.405 1.00 0.44 O ATOM 1794 CG2 THR A 113 8.294 1.297 8.921 1.00 0.51 C ATOM 0 H THR A 113 7.110 0.192 11.133 1.00 0.37 H new ATOM 0 HA THR A 113 7.039 -1.905 9.074 1.00 0.36 H new ATOM 0 HB THR A 113 6.858 0.154 7.816 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.646 -0.220 7.643 1.00 0.44 H new ATOM 0 HG21 THR A 113 8.477 2.004 8.112 1.00 0.51 H new ATOM 0 HG22 THR A 113 7.543 1.706 9.597 1.00 0.51 H new ATOM 0 HG23 THR A 113 9.220 1.125 9.470 1.00 0.51 H new ATOM 1802 N ASP A 114 9.363 -2.598 9.690 1.00 0.43 N ATOM 1803 CA ASP A 114 10.716 -3.010 10.036 1.00 0.57 C ATOM 1804 C ASP A 114 11.370 -3.681 8.843 1.00 0.64 C ATOM 1805 O ASP A 114 10.717 -3.896 7.827 1.00 0.61 O ATOM 1806 CB ASP A 114 10.740 -3.944 11.242 1.00 0.60 C ATOM 1807 CG ASP A 114 10.686 -3.204 12.561 1.00 1.24 C ATOM 1808 OD1 ASP A 114 11.724 -2.653 12.981 1.00 1.17 O ATOM 1809 OD2 ASP A 114 9.613 -3.179 13.193 1.00 2.10 O ATOM 0 H ASP A 114 8.855 -3.266 9.111 1.00 0.43 H new ATOM 0 HA ASP A 114 11.276 -2.115 10.307 1.00 0.57 H new ATOM 0 HB2 ASP A 114 9.895 -4.630 11.181 1.00 0.60 H new ATOM 0 HB3 ASP A 114 11.645 -4.550 11.208 1.00 0.60 H new ATOM 1814 N TYR A 115 12.640 -4.012 8.960 1.00 0.84 N ATOM 1815 CA TYR A 115 13.388 -4.561 7.835 1.00 0.99 C ATOM 1816 C TYR A 115 12.970 -5.998 7.562 1.00 0.90 C ATOM 1817 O TYR A 115 12.676 -6.367 6.423 1.00 1.07 O ATOM 1818 CB TYR A 115 14.889 -4.515 8.120 1.00 1.25 C ATOM 1819 CG TYR A 115 15.272 -3.427 9.088 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.231 -3.627 10.461 1.00 1.67 C ATOM 1821 CD2 TYR A 115 15.695 -2.195 8.615 1.00 1.77 C ATOM 1822 CE1 TYR A 115 15.600 -2.624 11.336 1.00 2.05 C ATOM 1823 CE2 TYR A 115 16.068 -1.192 9.472 1.00 2.16 C ATOM 1824 CZ TYR A 115 15.935 -1.434 10.903 1.00 2.26 C ATOM 1825 OH TYR A 115 16.393 -0.407 11.706 1.00 2.75 O ATOM 0 H TYR A 115 13.180 -3.913 9.820 1.00 0.84 H new ATOM 0 HA TYR A 115 13.169 -3.954 6.957 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.207 -5.478 8.520 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.426 -4.366 7.184 1.00 1.25 H new ATOM 0 HD1 TYR A 115 14.906 -4.580 10.851 1.00 1.67 H new ATOM 0 HD2 TYR A 115 15.732 -2.021 7.550 1.00 1.77 H new ATOM 0 HE1 TYR A 115 15.613 -2.825 12.397 1.00 2.05 H new ATOM 0 HE2 TYR A 115 16.448 -0.253 9.099 1.00 2.16 H new ATOM 0 HH TYR A 115 16.578 0.382 11.155 1.00 2.75 H new ATOM 1835 N ASP A 116 12.943 -6.805 8.616 1.00 0.77 N ATOM 1836 CA ASP A 116 12.622 -8.226 8.472 1.00 0.74 C ATOM 1837 C ASP A 116 11.242 -8.534 9.039 1.00 0.64 C ATOM 1838 O ASP A 116 10.611 -9.529 8.675 1.00 0.66 O ATOM 1839 CB ASP A 116 13.685 -9.085 9.160 1.00 0.82 C ATOM 1840 CG ASP A 116 13.460 -9.252 10.648 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.923 -8.394 11.425 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.840 -10.257 11.049 1.00 1.40 O ATOM 0 H ASP A 116 13.137 -6.507 9.572 1.00 0.77 H new ATOM 0 HA ASP A 116 12.613 -8.465 7.409 1.00 0.74 H new ATOM 0 HB2 ASP A 116 13.704 -10.069 8.691 1.00 0.82 H new ATOM 0 HB3 ASP A 116 14.665 -8.635 8.997 1.00 0.82 H new ATOM 1847 N GLN A 117 10.806 -7.679 9.945 1.00 0.59 N ATOM 1848 CA GLN A 117 9.461 -7.739 10.516 1.00 0.50 C ATOM 1849 C GLN A 117 8.419 -7.333 9.463 1.00 0.37 C ATOM 1850 O GLN A 117 8.763 -6.986 8.333 1.00 0.39 O ATOM 1851 CB GLN A 117 9.356 -6.851 11.762 1.00 0.56 C ATOM 1852 CG GLN A 117 8.155 -7.173 12.646 1.00 1.22 C ATOM 1853 CD GLN A 117 7.998 -6.216 13.810 1.00 1.68 C ATOM 1854 OE1 GLN A 117 8.548 -6.438 14.888 1.00 2.16 O ATOM 1855 NE2 GLN A 117 7.231 -5.157 13.606 1.00 2.51 N ATOM 0 H GLN A 117 11.374 -6.916 10.312 1.00 0.59 H new ATOM 0 HA GLN A 117 9.260 -8.766 10.822 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.268 -6.957 12.350 1.00 0.56 H new ATOM 0 HB3 GLN A 117 9.297 -5.808 11.450 1.00 0.56 H new ATOM 0 HG2 GLN A 117 7.249 -7.150 12.040 1.00 1.22 H new ATOM 0 HG3 GLN A 117 8.256 -8.188 13.030 1.00 1.22 H new ATOM 0 HE21 GLN A 117 6.794 -5.011 12.696 1.00 2.51 H new ATOM 0 HE22 GLN A 117 7.077 -4.486 14.359 1.00 2.51 H new ATOM 1864 N PHE A 118 7.150 -7.381 9.842 1.00 0.30 N ATOM 1865 CA PHE A 118 6.051 -7.171 8.911 1.00 0.25 C ATOM 1866 C PHE A 118 5.586 -5.720 9.034 1.00 0.26 C ATOM 1867 O PHE A 118 5.721 -5.109 10.096 1.00 0.40 O ATOM 1868 CB PHE A 118 4.899 -8.126 9.273 1.00 0.31 C ATOM 1869 CG PHE A 118 4.014 -7.611 10.377 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.471 -7.568 11.687 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.734 -7.149 10.102 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.670 -7.078 12.700 1.00 0.41 C ATOM 1873 CE2 PHE A 118 1.931 -6.656 11.113 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.398 -6.623 12.413 1.00 0.42 C ATOM 0 H PHE A 118 6.854 -7.566 10.800 1.00 0.30 H new ATOM 0 HA PHE A 118 6.370 -7.369 7.888 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.292 -8.303 8.385 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.316 -9.088 9.571 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.465 -7.922 11.917 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.362 -7.175 9.088 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.038 -7.051 13.715 1.00 0.41 H new ATOM 0 HE2 PHE A 118 0.938 -6.296 10.887 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.769 -6.242 13.204 1.00 0.42 H new ATOM 1884 N ALA A 119 5.068 -5.162 7.949 1.00 0.23 N ATOM 1885 CA ALA A 119 4.731 -3.747 7.922 1.00 0.23 C ATOM 1886 C ALA A 119 3.251 -3.519 7.654 1.00 0.21 C ATOM 1887 O ALA A 119 2.583 -4.335 7.023 1.00 0.28 O ATOM 1888 CB ALA A 119 5.579 -3.012 6.895 1.00 0.25 C ATOM 0 H ALA A 119 4.873 -5.663 7.082 1.00 0.23 H new ATOM 0 HA ALA A 119 4.949 -3.344 8.911 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.311 -1.955 6.891 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.633 -3.118 7.151 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.401 -3.435 5.906 1.00 0.25 H new ATOM 1894 N MET A 120 2.758 -2.389 8.130 1.00 0.19 N ATOM 1895 CA MET A 120 1.349 -2.041 8.024 1.00 0.21 C ATOM 1896 C MET A 120 1.222 -0.589 7.553 1.00 0.22 C ATOM 1897 O MET A 120 1.701 0.322 8.229 1.00 0.25 O ATOM 1898 CB MET A 120 0.715 -2.226 9.401 1.00 0.27 C ATOM 1899 CG MET A 120 -0.674 -2.837 9.393 1.00 0.48 C ATOM 1900 SD MET A 120 -1.245 -3.223 11.063 1.00 0.63 S ATOM 1901 CE MET A 120 -0.740 -1.751 11.953 1.00 1.47 C ATOM 0 H MET A 120 3.324 -1.684 8.602 1.00 0.19 H new ATOM 0 HA MET A 120 0.839 -2.678 7.301 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.369 -2.857 10.003 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.665 -1.255 9.894 1.00 0.27 H new ATOM 0 HG2 MET A 120 -1.372 -2.146 8.920 1.00 0.48 H new ATOM 0 HG3 MET A 120 -0.668 -3.746 8.791 1.00 0.48 H new ATOM 0 HE1 MET A 120 -1.287 -1.689 12.894 1.00 1.47 H new ATOM 0 HE2 MET A 120 0.330 -1.798 12.157 1.00 1.47 H new ATOM 0 HE3 MET A 120 -0.955 -0.869 11.350 1.00 1.47 H new ATOM 1911 N VAL A 121 0.589 -0.368 6.402 1.00 0.25 N ATOM 1912 CA VAL A 121 0.637 0.945 5.749 1.00 0.26 C ATOM 1913 C VAL A 121 -0.759 1.505 5.496 1.00 0.29 C ATOM 1914 O VAL A 121 -1.723 0.757 5.389 1.00 0.39 O ATOM 1915 CB VAL A 121 1.360 0.878 4.379 1.00 0.28 C ATOM 1916 CG1 VAL A 121 1.816 2.265 3.955 1.00 0.34 C ATOM 1917 CG2 VAL A 121 2.548 -0.068 4.421 1.00 0.28 C ATOM 0 H VAL A 121 0.042 -1.071 5.905 1.00 0.25 H new ATOM 0 HA VAL A 121 1.183 1.593 6.435 1.00 0.26 H new ATOM 0 HB VAL A 121 0.649 0.493 3.648 1.00 0.28 H new ATOM 0 HG11 VAL A 121 2.322 2.203 2.992 1.00 0.34 H new ATOM 0 HG12 VAL A 121 0.951 2.922 3.869 1.00 0.34 H new ATOM 0 HG13 VAL A 121 2.503 2.666 4.700 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.030 -0.090 3.444 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.261 0.276 5.170 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.206 -1.070 4.679 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.849 2.825 5.407 1.00 0.25 N ATOM 1928 CA PHE A 122 -2.052 3.498 4.932 1.00 0.27 C ATOM 1929 C PHE A 122 -1.722 4.209 3.609 1.00 0.27 C ATOM 1930 O PHE A 122 -0.855 5.080 3.558 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.570 4.476 6.020 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.741 5.378 5.634 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -3.769 6.057 4.422 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.812 5.561 6.504 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -4.821 6.881 4.087 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.865 6.390 6.166 1.00 0.38 C ATOM 1937 CZ PHE A 122 -5.869 7.049 4.959 1.00 0.63 C ATOM 0 H PHE A 122 -0.092 3.459 5.661 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.852 2.783 4.743 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.865 3.890 6.891 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.740 5.111 6.329 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -2.950 5.936 3.729 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.820 5.049 7.455 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -4.822 7.396 3.137 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.688 6.521 6.853 1.00 0.38 H new ATOM 0 HZ PHE A 122 -6.693 7.696 4.698 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.392 3.794 2.539 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.260 4.433 1.221 1.00 0.34 C ATOM 1949 C PHE A 123 -3.458 5.343 0.972 1.00 0.35 C ATOM 1950 O PHE A 123 -4.603 4.899 1.058 1.00 0.38 O ATOM 1951 CB PHE A 123 -2.206 3.379 0.106 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.919 2.606 0.010 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.446 1.861 1.077 1.00 0.32 C ATOM 1954 CD2 PHE A 123 -0.195 2.608 -1.172 1.00 0.45 C ATOM 1955 CE1 PHE A 123 0.725 1.137 0.968 1.00 0.33 C ATOM 1956 CE2 PHE A 123 0.979 1.888 -1.284 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.439 1.151 -0.213 1.00 0.41 C ATOM 0 H PHE A 123 -3.042 3.008 2.554 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.335 5.010 1.214 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -3.023 2.674 0.256 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.384 3.875 -0.848 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.999 1.846 2.005 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.553 3.179 -2.016 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.082 0.559 1.808 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.536 1.902 -2.209 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.356 0.586 -0.298 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.201 6.607 0.668 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.276 7.557 0.405 1.00 0.39 C ATOM 1969 C GLN A 124 -4.253 8.011 -1.049 1.00 0.34 C ATOM 1970 O GLN A 124 -3.250 8.540 -1.525 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.159 8.778 1.321 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.335 9.738 1.205 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.105 11.047 1.937 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -3.858 11.486 1.988 1.00 1.54 O flip ATOM 1975 NE2 GLN A 124 -6.043 11.665 2.437 1.00 1.57 N flip ATOM 0 H GLN A 124 -2.262 6.999 0.597 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.220 7.051 0.605 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.076 8.441 2.354 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.239 9.313 1.085 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -5.525 9.945 0.152 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.229 9.258 1.602 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -6.990 11.292 2.376 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -5.874 12.551 2.913 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.363 7.808 -1.740 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.520 8.236 -3.122 1.00 0.38 C ATOM 1986 C LYS A 125 -6.671 9.226 -3.221 1.00 0.35 C ATOM 1987 O LYS A 125 -7.796 8.893 -2.894 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.816 7.033 -4.027 1.00 0.53 C ATOM 1989 CG LYS A 125 -6.076 7.410 -5.480 1.00 0.98 C ATOM 1990 CD LYS A 125 -6.732 6.272 -6.256 1.00 1.06 C ATOM 1991 CE LYS A 125 -5.815 5.065 -6.399 1.00 1.36 C ATOM 1992 NZ LYS A 125 -6.454 3.979 -7.193 1.00 1.55 N ATOM 0 H LYS A 125 -6.184 7.340 -1.357 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.592 8.707 -3.447 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.974 6.342 -3.985 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.684 6.501 -3.638 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.717 8.291 -5.517 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -5.135 7.680 -5.959 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -7.649 5.971 -5.749 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -7.017 6.628 -7.246 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -4.886 5.369 -6.880 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -5.553 4.687 -5.410 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -5.800 3.174 -7.269 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.328 3.672 -6.720 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.681 4.332 -8.145 1.00 1.55 H new ATOM 2006 N THR A 126 -6.403 10.438 -3.650 1.00 0.31 N ATOM 2007 CA THR A 126 -7.471 11.407 -3.833 1.00 0.31 C ATOM 2008 C THR A 126 -7.630 11.736 -5.308 1.00 0.34 C ATOM 2009 O THR A 126 -6.637 11.904 -6.005 1.00 0.39 O ATOM 2010 CB THR A 126 -7.186 12.709 -3.076 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.091 12.518 -2.172 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.406 13.162 -2.295 1.00 0.47 C ATOM 0 H THR A 126 -5.469 10.778 -3.878 1.00 0.31 H new ATOM 0 HA THR A 126 -8.384 10.960 -3.440 1.00 0.31 H new ATOM 0 HB THR A 126 -6.933 13.477 -3.807 1.00 0.35 H new ATOM 0 HG1 THR A 126 -5.268 12.365 -2.682 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.177 14.088 -1.767 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.235 13.332 -2.982 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.683 12.392 -1.574 1.00 0.47 H new ATOM 2020 N SER A 127 -8.861 11.820 -5.789 1.00 0.37 N ATOM 2021 CA SER A 127 -9.095 12.198 -7.173 1.00 0.45 C ATOM 2022 C SER A 127 -10.489 12.780 -7.352 1.00 0.51 C ATOM 2023 O SER A 127 -11.484 12.106 -7.088 1.00 0.52 O ATOM 2024 CB SER A 127 -8.894 10.987 -8.089 1.00 0.54 C ATOM 2025 OG SER A 127 -9.772 9.933 -7.738 1.00 0.87 O ATOM 0 H SER A 127 -9.705 11.634 -5.248 1.00 0.37 H new ATOM 0 HA SER A 127 -8.375 12.969 -7.446 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.066 11.278 -9.125 1.00 0.54 H new ATOM 0 HB3 SER A 127 -7.862 10.643 -8.021 1.00 0.54 H new ATOM 0 HG SER A 127 -10.653 10.301 -7.517 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.546 14.038 -7.794 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.808 14.742 -8.006 1.00 0.74 C ATOM 2033 C GLU A 128 -12.646 14.733 -6.730 1.00 0.66 C ATOM 2034 O GLU A 128 -13.817 14.353 -6.727 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.569 14.111 -9.168 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.782 14.904 -9.609 1.00 1.26 C ATOM 2037 CD GLU A 128 -14.267 14.496 -10.981 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.721 14.995 -11.984 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -15.204 13.669 -11.066 1.00 2.13 O ATOM 0 H GLU A 128 -9.720 14.594 -8.014 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.596 15.781 -8.259 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -11.892 14.000 -10.015 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -12.887 13.109 -8.880 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.586 14.766 -8.886 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -13.537 15.966 -9.614 1.00 1.26 H new ATOM 2046 N ASN A 129 -11.993 15.115 -5.639 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.606 15.192 -4.308 1.00 0.70 C ATOM 2048 C ASN A 129 -12.900 13.804 -3.736 1.00 0.59 C ATOM 2049 O ASN A 129 -13.105 13.651 -2.532 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.881 16.048 -4.333 1.00 0.91 C ATOM 2051 CG ASN A 129 -14.345 16.451 -2.942 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -13.926 17.483 -2.415 1.00 1.64 O ATOM 2053 ND2 ASN A 129 -15.215 15.651 -2.343 1.00 2.21 N ATOM 0 H ASN A 129 -11.009 15.385 -5.648 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.882 15.674 -3.650 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -13.700 16.945 -4.925 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.677 15.493 -4.830 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -15.562 15.881 -1.412 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -15.538 14.805 -2.813 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.888 12.791 -4.588 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.109 11.430 -4.145 1.00 0.49 C ATOM 2062 C LYS A 130 -11.852 10.929 -3.465 1.00 0.42 C ATOM 2063 O LYS A 130 -10.798 10.822 -4.092 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.458 10.514 -5.320 1.00 0.64 C ATOM 2065 CG LYS A 130 -14.708 10.918 -6.089 1.00 1.02 C ATOM 2066 CD LYS A 130 -14.962 9.968 -7.251 1.00 1.36 C ATOM 2067 CE LYS A 130 -15.278 8.559 -6.763 1.00 2.08 C ATOM 2068 NZ LYS A 130 -15.103 7.541 -7.832 1.00 2.80 N ATOM 0 H LYS A 130 -12.727 12.889 -5.590 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.949 11.419 -3.450 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -12.614 10.492 -6.010 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -13.590 9.499 -4.946 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -15.568 10.918 -5.419 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -14.596 11.935 -6.464 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -15.792 10.340 -7.852 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -14.086 9.942 -7.899 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -14.630 8.314 -5.921 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -16.304 8.525 -6.396 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -15.619 6.676 -7.575 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -15.475 7.912 -8.729 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -14.092 7.322 -7.941 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.953 10.662 -2.183 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.814 10.196 -1.425 1.00 0.44 C ATOM 2084 C GLN A 131 -10.898 8.683 -1.237 1.00 0.48 C ATOM 2085 O GLN A 131 -11.906 8.158 -0.775 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.756 10.918 -0.078 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.683 12.430 -0.247 1.00 0.56 C ATOM 2088 CD GLN A 131 -11.125 13.217 0.970 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -10.928 12.800 2.109 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -11.742 14.362 0.731 1.00 1.57 N ATOM 0 H GLN A 131 -12.813 10.760 -1.643 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.897 10.420 -1.971 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.637 10.661 0.510 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.887 10.573 0.482 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.658 12.707 -0.491 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.302 12.719 -1.096 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -11.886 14.673 -0.230 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -12.074 14.934 1.507 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.849 7.995 -1.635 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.762 6.546 -1.497 1.00 0.50 C ATOM 2101 C TYR A 132 -8.620 6.222 -0.550 1.00 0.44 C ATOM 2102 O TYR A 132 -7.568 6.854 -0.604 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.488 5.840 -2.837 1.00 0.57 C ATOM 2104 CG TYR A 132 -10.285 6.342 -4.027 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -10.051 7.597 -4.572 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -11.247 5.540 -4.627 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -10.747 8.038 -5.676 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -11.954 5.980 -5.733 1.00 1.01 C ATOM 2109 CZ TYR A 132 -11.696 7.230 -6.253 1.00 0.96 C ATOM 2110 OH TYR A 132 -12.376 7.668 -7.367 1.00 1.12 O ATOM 0 H TYR A 132 -9.028 8.420 -2.065 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.721 6.191 -1.120 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.427 5.939 -3.067 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.689 4.776 -2.713 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -9.309 8.240 -4.122 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -11.447 4.558 -4.225 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -10.547 9.017 -6.087 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -12.703 5.347 -6.186 1.00 1.01 H new ATOM 0 HH TYR A 132 -11.803 8.272 -7.884 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.819 5.250 0.315 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.809 4.900 1.305 1.00 0.30 C ATOM 2122 C PHE A 133 -7.757 3.403 1.474 1.00 0.25 C ATOM 2123 O PHE A 133 -8.765 2.712 1.296 1.00 0.30 O ATOM 2124 CB PHE A 133 -8.113 5.566 2.651 1.00 0.45 C ATOM 2125 CG PHE A 133 -9.315 6.444 2.581 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.572 5.922 2.803 1.00 1.31 C ATOM 2127 CD2 PHE A 133 -9.192 7.772 2.228 1.00 1.20 C ATOM 2128 CE1 PHE A 133 -11.686 6.705 2.672 1.00 1.82 C ATOM 2129 CE2 PHE A 133 -10.304 8.565 2.109 1.00 1.74 C ATOM 2130 CZ PHE A 133 -11.556 8.028 2.326 1.00 1.95 C ATOM 0 H PHE A 133 -9.668 4.686 0.357 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.842 5.259 0.954 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -8.269 4.798 3.408 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.252 6.155 2.967 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.678 4.884 3.083 1.00 1.31 H new ATOM 0 HD2 PHE A 133 -8.213 8.190 2.044 1.00 1.20 H new ATOM 0 HE1 PHE A 133 -12.666 6.284 2.840 1.00 1.82 H new ATOM 0 HE2 PHE A 133 -10.200 9.607 1.846 1.00 1.74 H new ATOM 0 HZ PHE A 133 -12.434 8.648 2.224 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.587 2.910 1.807 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.397 1.496 2.013 1.00 0.24 C ATOM 2142 C LYS A 134 -5.288 1.258 3.031 1.00 0.17 C ATOM 2143 O LYS A 134 -4.277 1.959 3.038 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.077 0.788 0.683 1.00 0.38 C ATOM 2145 CG LYS A 134 -4.619 0.862 0.262 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.364 0.084 -1.018 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.887 -0.228 -1.184 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.598 -0.902 -2.484 1.00 1.30 N ATOM 0 H LYS A 134 -5.747 3.473 1.941 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.324 1.075 2.403 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.365 -0.260 0.766 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.691 1.226 -0.104 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.334 1.904 0.117 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -3.989 0.467 1.059 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.935 -0.844 -1.003 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -4.715 0.661 -1.874 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.312 0.696 -1.120 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -2.557 -0.866 -0.364 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.579 -1.096 -2.555 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.126 -1.797 -2.536 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -2.888 -0.283 -3.268 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.494 0.283 3.890 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.498 -0.108 4.865 1.00 0.17 C ATOM 2164 C VAL A 135 -3.917 -1.456 4.460 1.00 0.20 C ATOM 2165 O VAL A 135 -4.638 -2.435 4.293 1.00 0.30 O ATOM 2166 CB VAL A 135 -5.097 -0.135 6.296 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -4.591 -1.315 7.111 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -4.793 1.172 7.016 1.00 0.78 C ATOM 0 H VAL A 135 -6.356 -0.261 3.932 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.693 0.627 4.885 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.176 -0.252 6.194 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.039 -1.290 8.104 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -4.865 -2.245 6.613 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -3.506 -1.257 7.200 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -5.218 1.142 8.019 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -3.714 1.308 7.083 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -5.230 2.003 6.462 1.00 0.78 H new ATOM 2178 N THR A 136 -2.618 -1.488 4.252 1.00 0.20 N ATOM 2179 CA THR A 136 -1.976 -2.654 3.682 1.00 0.22 C ATOM 2180 C THR A 136 -1.279 -3.484 4.745 1.00 0.24 C ATOM 2181 O THR A 136 -1.009 -3.010 5.852 1.00 0.47 O ATOM 2182 CB THR A 136 -0.921 -2.248 2.644 1.00 0.43 C ATOM 2183 OG1 THR A 136 0.166 -1.601 3.298 1.00 1.41 O ATOM 2184 CG2 THR A 136 -1.495 -1.299 1.618 1.00 0.65 C ATOM 0 H THR A 136 -1.985 -0.719 4.469 1.00 0.20 H new ATOM 0 HA THR A 136 -2.766 -3.241 3.213 1.00 0.22 H new ATOM 0 HB THR A 136 -0.585 -3.153 2.139 1.00 0.43 H new ATOM 0 HG1 THR A 136 0.998 -1.795 2.819 1.00 1.41 H new ATOM 0 HG21 THR A 136 -0.722 -1.031 0.898 1.00 0.65 H new ATOM 0 HG22 THR A 136 -2.323 -1.782 1.099 1.00 0.65 H new ATOM 0 HG23 THR A 136 -1.855 -0.399 2.116 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.983 -4.717 4.390 1.00 0.18 N ATOM 2193 CA LEU A 137 -0.130 -5.563 5.190 1.00 0.21 C ATOM 2194 C LEU A 137 1.036 -6.010 4.322 1.00 0.17 C ATOM 2195 O LEU A 137 0.854 -6.762 3.365 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.926 -6.763 5.726 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.228 -7.638 6.781 1.00 0.34 C ATOM 2198 CD1 LEU A 137 0.855 -8.495 6.158 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.353 -6.780 7.892 1.00 0.68 C ATOM 0 H LEU A 137 -1.328 -5.159 3.538 1.00 0.18 H new ATOM 0 HA LEU A 137 0.251 -5.019 6.054 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.856 -6.390 6.154 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -1.195 -7.397 4.882 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.980 -8.302 7.208 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.329 -9.101 6.930 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.414 -9.147 5.404 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.603 -7.854 5.691 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.842 -7.419 8.627 1.00 0.68 H new ATOM 0 HD22 LEU A 137 1.082 -6.086 7.473 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.447 -6.218 8.374 1.00 0.68 H new ATOM 2211 N TYR A 138 2.221 -5.518 4.637 1.00 0.18 N ATOM 2212 CA TYR A 138 3.414 -5.851 3.880 1.00 0.26 C ATOM 2213 C TYR A 138 4.310 -6.778 4.673 1.00 0.20 C ATOM 2214 O TYR A 138 4.356 -6.718 5.899 1.00 0.25 O ATOM 2215 CB TYR A 138 4.199 -4.595 3.500 1.00 0.44 C ATOM 2216 CG TYR A 138 3.681 -3.890 2.271 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.871 -4.430 1.007 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.016 -2.681 2.374 1.00 0.54 C ATOM 2219 CE1 TYR A 138 3.407 -3.783 -0.122 1.00 2.04 C ATOM 2220 CE2 TYR A 138 2.551 -2.025 1.252 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.748 -2.581 0.006 1.00 1.94 C ATOM 2222 OH TYR A 138 2.291 -1.928 -1.116 1.00 2.64 O ATOM 0 H TYR A 138 2.383 -4.882 5.418 1.00 0.18 H new ATOM 0 HA TYR A 138 3.090 -6.353 2.968 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.179 -3.900 4.339 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.242 -4.867 3.336 1.00 0.44 H new ATOM 0 HD1 TYR A 138 4.390 -5.371 0.904 1.00 1.36 H new ATOM 0 HD2 TYR A 138 2.858 -2.243 3.349 1.00 0.54 H new ATOM 0 HE1 TYR A 138 3.560 -4.217 -1.099 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.036 -1.081 1.350 1.00 1.18 H new ATOM 0 HH TYR A 138 1.890 -1.072 -0.856 1.00 2.64 H new ATOM 2232 N GLY A 139 5.015 -7.637 3.968 1.00 0.28 N ATOM 2233 CA GLY A 139 5.971 -8.505 4.605 1.00 0.29 C ATOM 2234 C GLY A 139 7.238 -8.608 3.793 1.00 0.33 C ATOM 2235 O GLY A 139 7.211 -8.436 2.572 1.00 0.45 O ATOM 0 H GLY A 139 4.942 -7.750 2.957 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.203 -8.127 5.600 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.537 -9.496 4.734 1.00 0.29 H new ATOM 2239 N ARG A 140 8.344 -8.885 4.461 1.00 0.37 N ATOM 2240 CA ARG A 140 9.641 -8.981 3.802 1.00 0.49 C ATOM 2241 C ARG A 140 9.745 -10.276 2.986 1.00 0.38 C ATOM 2242 O ARG A 140 10.670 -10.459 2.199 1.00 0.51 O ATOM 2243 CB ARG A 140 10.742 -8.890 4.868 1.00 0.78 C ATOM 2244 CG ARG A 140 12.170 -8.949 4.338 1.00 1.61 C ATOM 2245 CD ARG A 140 12.773 -10.330 4.538 1.00 1.91 C ATOM 2246 NE ARG A 140 12.600 -10.787 5.918 1.00 2.46 N ATOM 2247 CZ ARG A 140 12.504 -12.066 6.276 1.00 3.13 C ATOM 2248 NH1 ARG A 140 12.702 -13.025 5.379 1.00 3.38 N ATOM 2249 NH2 ARG A 140 12.242 -12.383 7.540 1.00 3.99 N ATOM 0 H ARG A 140 8.372 -9.049 5.467 1.00 0.37 H new ATOM 0 HA ARG A 140 9.761 -8.157 3.098 1.00 0.49 H new ATOM 0 HB2 ARG A 140 10.615 -7.958 5.419 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.603 -9.703 5.580 1.00 0.78 H new ATOM 0 HG2 ARG A 140 12.178 -8.696 3.278 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.781 -8.205 4.848 1.00 1.61 H new ATOM 0 HD2 ARG A 140 12.302 -11.038 3.856 1.00 1.91 H new ATOM 0 HD3 ARG A 140 13.834 -10.306 4.290 1.00 1.91 H new ATOM 0 HE ARG A 140 12.550 -10.081 6.652 1.00 2.46 H new ATOM 0 HH11 ARG A 140 12.928 -12.782 4.414 1.00 3.38 H new ATOM 0 HH12 ARG A 140 12.628 -14.004 5.655 1.00 3.38 H new ATOM 0 HH21 ARG A 140 12.115 -11.647 8.235 1.00 3.99 H new ATOM 0 HH22 ARG A 140 12.168 -13.362 7.815 1.00 3.99 H new ATOM 2263 N THR A 141 8.770 -11.160 3.152 1.00 0.40 N ATOM 2264 CA THR A 141 8.779 -12.442 2.468 1.00 0.58 C ATOM 2265 C THR A 141 7.362 -13.021 2.399 1.00 0.64 C ATOM 2266 O THR A 141 6.420 -12.443 2.947 1.00 1.14 O ATOM 2267 CB THR A 141 9.731 -13.430 3.184 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.842 -14.650 2.440 1.00 1.13 O ATOM 2269 CG2 THR A 141 9.250 -13.728 4.599 1.00 0.94 C ATOM 0 H THR A 141 7.962 -11.010 3.756 1.00 0.40 H new ATOM 0 HA THR A 141 9.140 -12.289 1.451 1.00 0.58 H new ATOM 0 HB THR A 141 10.713 -12.960 3.245 1.00 0.85 H new ATOM 0 HG1 THR A 141 10.449 -15.263 2.905 1.00 1.13 H new ATOM 0 HG21 THR A 141 9.938 -14.425 5.078 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.213 -12.802 5.173 1.00 0.94 H new ATOM 0 HG23 THR A 141 8.255 -14.170 4.559 1.00 0.94 H new ATOM 2277 N LYS A 142 7.226 -14.166 1.729 1.00 0.79 N ATOM 2278 CA LYS A 142 5.937 -14.839 1.549 1.00 0.87 C ATOM 2279 C LYS A 142 5.530 -15.606 2.809 1.00 0.84 C ATOM 2280 O LYS A 142 4.708 -16.520 2.747 1.00 1.09 O ATOM 2281 CB LYS A 142 6.020 -15.831 0.380 1.00 1.02 C ATOM 2282 CG LYS A 142 6.384 -15.212 -0.962 1.00 1.17 C ATOM 2283 CD LYS A 142 5.189 -14.545 -1.621 1.00 0.84 C ATOM 2284 CE LYS A 142 5.525 -14.061 -3.025 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.958 -15.172 -3.917 1.00 1.57 N ATOM 0 H LYS A 142 8.008 -14.655 1.294 1.00 0.79 H new ATOM 0 HA LYS A 142 5.192 -14.071 1.343 1.00 0.87 H new ATOM 0 HB2 LYS A 142 6.758 -16.595 0.623 1.00 1.02 H new ATOM 0 HB3 LYS A 142 5.059 -16.336 0.282 1.00 1.02 H new ATOM 0 HG2 LYS A 142 7.177 -14.478 -0.820 1.00 1.17 H new ATOM 0 HG3 LYS A 142 6.779 -15.984 -1.623 1.00 1.17 H new ATOM 0 HD2 LYS A 142 4.358 -15.248 -1.667 1.00 0.84 H new ATOM 0 HD3 LYS A 142 4.860 -13.702 -1.013 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.652 -13.571 -3.456 1.00 0.85 H new ATOM 0 HE3 LYS A 142 6.316 -13.313 -2.970 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 6.045 -14.821 -4.892 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 6.878 -15.536 -3.597 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 5.254 -15.936 -3.886 1.00 1.57 H new ATOM 2299 N GLY A 143 6.101 -15.231 3.947 1.00 0.67 N ATOM 2300 CA GLY A 143 5.867 -15.967 5.171 1.00 0.70 C ATOM 2301 C GLY A 143 5.525 -15.072 6.344 1.00 0.62 C ATOM 2302 O GLY A 143 6.357 -14.834 7.218 1.00 0.74 O ATOM 0 H GLY A 143 6.723 -14.428 4.042 1.00 0.67 H new ATOM 0 HA2 GLY A 143 5.054 -16.675 5.013 1.00 0.70 H new ATOM 0 HA3 GLY A 143 6.755 -16.550 5.413 1.00 0.70 H new ATOM 2306 N LEU A 144 4.303 -14.561 6.354 1.00 0.52 N ATOM 2307 CA LEU A 144 3.807 -13.778 7.477 1.00 0.46 C ATOM 2308 C LEU A 144 2.652 -14.511 8.145 1.00 0.48 C ATOM 2309 O LEU A 144 1.748 -15.009 7.470 1.00 0.53 O ATOM 2310 CB LEU A 144 3.357 -12.389 7.021 1.00 0.43 C ATOM 2311 CG LEU A 144 4.470 -11.459 6.534 1.00 0.40 C ATOM 2312 CD1 LEU A 144 3.953 -10.035 6.451 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.687 -11.529 7.448 1.00 0.56 C ATOM 0 H LEU A 144 3.633 -14.675 5.593 1.00 0.52 H new ATOM 0 HA LEU A 144 4.618 -13.651 8.195 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.630 -12.508 6.217 1.00 0.43 H new ATOM 0 HB3 LEU A 144 2.840 -11.904 7.849 1.00 0.43 H new ATOM 0 HG LEU A 144 4.780 -11.786 5.542 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.750 -9.378 6.104 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.117 -9.992 5.753 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.620 -9.711 7.437 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.461 -10.857 7.076 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.402 -11.231 8.457 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.070 -12.549 7.466 1.00 0.56 H new ATOM 2325 N SER A 145 2.701 -14.590 9.466 1.00 0.51 N ATOM 2326 CA SER A 145 1.686 -15.284 10.243 1.00 0.56 C ATOM 2327 C SER A 145 0.331 -14.590 10.123 1.00 0.50 C ATOM 2328 O SER A 145 0.256 -13.387 9.873 1.00 0.49 O ATOM 2329 CB SER A 145 2.115 -15.324 11.707 1.00 0.65 C ATOM 2330 OG SER A 145 3.433 -15.827 11.835 1.00 1.43 O ATOM 0 H SER A 145 3.444 -14.176 10.029 1.00 0.51 H new ATOM 0 HA SER A 145 1.583 -16.297 9.855 1.00 0.56 H new ATOM 0 HB2 SER A 145 2.061 -14.322 12.133 1.00 0.65 H new ATOM 0 HB3 SER A 145 1.426 -15.950 12.275 1.00 0.65 H new ATOM 0 HG SER A 145 3.687 -15.842 12.781 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.736 -15.356 10.316 1.00 0.53 N ATOM 2337 CA ASP A 146 -2.092 -14.820 10.249 1.00 0.51 C ATOM 2338 C ASP A 146 -2.314 -13.815 11.375 1.00 0.48 C ATOM 2339 O ASP A 146 -3.139 -12.908 11.266 1.00 0.46 O ATOM 2340 CB ASP A 146 -3.117 -15.953 10.334 1.00 0.62 C ATOM 2341 CG ASP A 146 -4.516 -15.492 9.995 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -4.824 -15.360 8.790 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -5.316 -15.273 10.924 1.00 2.08 O ATOM 0 H ASP A 146 -0.689 -16.354 10.521 1.00 0.53 H new ATOM 0 HA ASP A 146 -2.221 -14.310 9.295 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.827 -16.754 9.654 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.109 -16.371 11.340 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.539 -13.981 12.442 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.569 -13.080 13.589 1.00 0.53 C ATOM 2350 C GLU A 147 -1.314 -11.634 13.159 1.00 0.45 C ATOM 2351 O GLU A 147 -2.080 -10.733 13.499 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.508 -13.529 14.605 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.250 -12.549 15.741 1.00 0.72 C ATOM 2354 CD GLU A 147 -1.446 -12.351 16.648 1.00 1.25 C ATOM 2355 OE1 GLU A 147 -1.763 -13.268 17.435 1.00 1.48 O ATOM 2356 OE2 GLU A 147 -2.057 -11.265 16.601 1.00 1.99 O ATOM 0 H GLU A 147 -0.871 -14.746 12.536 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.558 -13.120 14.046 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.816 -14.484 15.032 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.429 -13.704 14.076 1.00 0.62 H new ATOM 0 HG2 GLU A 147 0.592 -12.906 16.335 1.00 0.72 H new ATOM 0 HG3 GLU A 147 0.042 -11.586 15.321 1.00 0.72 H new ATOM 2363 N LEU A 148 -0.262 -11.420 12.376 1.00 0.41 N ATOM 2364 CA LEU A 148 0.109 -10.070 11.976 1.00 0.37 C ATOM 2365 C LEU A 148 -0.889 -9.503 10.966 1.00 0.31 C ATOM 2366 O LEU A 148 -1.129 -8.298 10.928 1.00 0.29 O ATOM 2367 CB LEU A 148 1.563 -10.023 11.452 1.00 0.37 C ATOM 2368 CG LEU A 148 1.924 -10.954 10.285 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.441 -10.394 8.960 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.430 -11.177 10.227 1.00 0.38 C ATOM 0 H LEU A 148 0.342 -12.156 12.010 1.00 0.41 H new ATOM 0 HA LEU A 148 0.069 -9.430 12.858 1.00 0.37 H new ATOM 0 HB2 LEU A 148 1.777 -8.999 11.145 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.229 -10.252 12.284 1.00 0.37 H new ATOM 0 HG LEU A 148 1.424 -11.907 10.459 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.713 -11.077 8.155 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.358 -10.278 8.987 1.00 0.33 H new ATOM 0 HD13 LEU A 148 1.905 -9.424 8.784 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.668 -11.839 9.394 1.00 0.38 H new ATOM 0 HD22 LEU A 148 3.934 -10.221 10.086 1.00 0.38 H new ATOM 0 HD23 LEU A 148 3.767 -11.631 11.159 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.496 -10.379 10.171 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.488 -9.944 9.195 1.00 0.29 C ATOM 2384 C LYS A 149 -3.778 -9.550 9.906 1.00 0.29 C ATOM 2385 O LYS A 149 -4.388 -8.535 9.602 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.783 -11.052 8.176 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.552 -11.569 7.448 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.914 -12.615 6.403 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.613 -13.816 7.019 1.00 0.83 C ATOM 2390 NZ LYS A 149 -2.881 -14.876 6.012 1.00 1.22 N ATOM 0 H LYS A 149 -1.321 -11.384 10.183 1.00 0.31 H new ATOM 0 HA LYS A 149 -2.084 -9.083 8.663 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.265 -11.884 8.689 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.495 -10.675 7.442 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.037 -10.737 6.967 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.857 -12.000 8.169 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -2.561 -12.166 5.649 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -1.010 -12.945 5.891 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -1.997 -14.224 7.820 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -3.553 -13.498 7.470 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -3.358 -15.678 6.471 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -3.490 -14.495 5.260 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -1.982 -15.198 5.599 1.00 1.22 H new ATOM 2404 N GLU A 150 -4.184 -10.354 10.868 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.368 -10.055 11.656 1.00 0.35 C ATOM 2406 C GLU A 150 -5.186 -8.709 12.358 1.00 0.34 C ATOM 2407 O GLU A 150 -6.138 -7.954 12.547 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.623 -11.193 12.651 1.00 0.42 C ATOM 2409 CG GLU A 150 -7.004 -11.184 13.284 1.00 1.02 C ATOM 2410 CD GLU A 150 -7.020 -10.537 14.650 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -6.347 -11.048 15.567 1.00 2.00 O ATOM 2412 OE2 GLU A 150 -7.682 -9.492 14.806 1.00 1.83 O ATOM 0 H GLU A 150 -3.712 -11.221 11.125 1.00 0.33 H new ATOM 0 HA GLU A 150 -6.243 -9.978 11.011 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -5.479 -12.144 12.139 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.875 -11.140 13.442 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -7.695 -10.654 12.628 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -7.366 -12.209 13.368 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.949 -8.411 12.725 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.624 -7.123 13.319 1.00 0.35 C ATOM 2421 C ARG A 151 -3.759 -5.983 12.303 1.00 0.30 C ATOM 2422 O ARG A 151 -4.136 -4.869 12.675 1.00 0.32 O ATOM 2423 CB ARG A 151 -2.218 -7.150 13.924 1.00 0.41 C ATOM 2424 CG ARG A 151 -2.118 -8.062 15.134 1.00 1.21 C ATOM 2425 CD ARG A 151 -0.722 -8.076 15.732 1.00 1.20 C ATOM 2426 NE ARG A 151 -0.669 -8.914 16.928 1.00 1.71 N ATOM 2427 CZ ARG A 151 0.074 -8.649 18.001 1.00 1.97 C ATOM 2428 NH1 ARG A 151 0.917 -7.622 17.997 1.00 1.74 N ATOM 2429 NH2 ARG A 151 -0.019 -9.424 19.075 1.00 2.88 N ATOM 0 H ARG A 151 -3.155 -9.042 12.622 1.00 0.33 H new ATOM 0 HA ARG A 151 -4.341 -6.935 14.118 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.507 -7.479 13.166 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.931 -6.139 14.212 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -2.832 -7.737 15.891 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -2.398 -9.075 14.846 1.00 1.21 H new ATOM 0 HD2 ARG A 151 -0.011 -8.446 14.994 1.00 1.20 H new ATOM 0 HD3 ARG A 151 -0.421 -7.059 15.983 1.00 1.20 H new ATOM 0 HE ARG A 151 -1.240 -9.759 16.942 1.00 1.71 H new ATOM 0 HH11 ARG A 151 0.998 -7.032 17.169 1.00 1.74 H new ATOM 0 HH12 ARG A 151 1.483 -7.424 18.822 1.00 1.74 H new ATOM 0 HH21 ARG A 151 -0.658 -10.219 19.076 1.00 2.88 H new ATOM 0 HH22 ARG A 151 0.548 -9.224 19.899 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.482 -6.253 11.023 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.628 -5.214 10.001 1.00 0.27 C ATOM 2445 C PHE A 152 -5.100 -4.863 9.817 1.00 0.23 C ATOM 2446 O PHE A 152 -5.445 -3.692 9.673 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.967 -5.605 8.650 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.899 -6.112 7.564 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.809 -5.266 6.943 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.855 -7.436 7.162 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.655 -5.735 5.960 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.698 -7.910 6.180 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.599 -7.059 5.580 1.00 0.21 C ATOM 0 H PHE A 152 -3.164 -7.158 10.677 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.096 -4.331 10.354 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.436 -4.735 8.265 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.220 -6.374 8.845 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.855 -4.227 7.234 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -3.148 -8.109 7.626 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.360 -5.066 5.489 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.652 -8.947 5.882 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.262 -7.429 4.812 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.971 -5.873 9.829 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.401 -5.628 9.671 1.00 0.22 C ATOM 2465 C VAL A 153 -7.896 -4.791 10.849 1.00 0.25 C ATOM 2466 O VAL A 153 -8.764 -3.940 10.695 1.00 0.28 O ATOM 2467 CB VAL A 153 -8.240 -6.936 9.539 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.509 -7.972 8.699 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.615 -7.523 10.893 1.00 0.28 C ATOM 0 H VAL A 153 -5.715 -6.853 9.945 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.540 -5.088 8.735 1.00 0.22 H new ATOM 0 HB VAL A 153 -9.166 -6.663 9.033 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -8.117 -8.874 8.623 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.330 -7.571 7.702 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.556 -8.215 9.169 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -9.198 -8.432 10.747 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.709 -7.759 11.451 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -9.207 -6.798 11.452 1.00 0.28 H new ATOM 2479 N SER A 154 -7.311 -5.028 12.021 1.00 0.28 N ATOM 2480 CA SER A 154 -7.631 -4.251 13.209 1.00 0.33 C ATOM 2481 C SER A 154 -7.263 -2.786 12.988 1.00 0.32 C ATOM 2482 O SER A 154 -8.030 -1.882 13.331 1.00 0.35 O ATOM 2483 CB SER A 154 -6.888 -4.817 14.426 1.00 0.38 C ATOM 2484 OG SER A 154 -7.307 -4.188 15.623 1.00 1.05 O ATOM 0 H SER A 154 -6.611 -5.755 12.170 1.00 0.28 H new ATOM 0 HA SER A 154 -8.702 -4.315 13.399 1.00 0.33 H new ATOM 0 HB2 SER A 154 -7.065 -5.890 14.496 1.00 0.38 H new ATOM 0 HB3 SER A 154 -5.815 -4.678 14.296 1.00 0.38 H new ATOM 0 HG SER A 154 -6.818 -4.570 16.382 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.100 -2.555 12.386 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.663 -1.204 12.070 1.00 0.29 C ATOM 2492 C PHE A 155 -6.534 -0.613 10.971 1.00 0.28 C ATOM 2493 O PHE A 155 -6.794 0.589 10.952 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.196 -1.188 11.637 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.648 0.200 11.453 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.254 0.947 12.549 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.536 0.762 10.187 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.759 2.227 12.391 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.043 2.040 10.026 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.654 2.773 11.128 1.00 0.39 C ATOM 0 H PHE A 155 -5.446 -3.287 12.109 1.00 0.29 H new ATOM 0 HA PHE A 155 -5.762 -0.598 12.971 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.598 -1.712 12.383 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.094 -1.739 10.702 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.334 0.524 13.540 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.838 0.192 9.321 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.455 2.800 13.255 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.962 2.467 9.037 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.267 3.774 11.002 1.00 0.39 H new ATOM 2510 N ALA A 156 -6.992 -1.468 10.065 1.00 0.25 N ATOM 2511 CA ALA A 156 -7.879 -1.049 8.992 1.00 0.25 C ATOM 2512 C ALA A 156 -9.118 -0.363 9.561 1.00 0.28 C ATOM 2513 O ALA A 156 -9.606 0.624 9.012 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.295 -2.244 8.143 1.00 0.25 C ATOM 0 H ALA A 156 -6.761 -2.461 10.054 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.340 -0.341 8.363 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -8.959 -1.910 7.345 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.409 -2.707 7.708 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -8.815 -2.971 8.767 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.607 -0.885 10.683 1.00 0.33 N ATOM 2521 CA LYS A 157 -10.809 -0.347 11.315 1.00 0.39 C ATOM 2522 C LYS A 157 -10.508 0.990 11.986 1.00 0.41 C ATOM 2523 O LYS A 157 -11.402 1.814 12.177 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.371 -1.315 12.367 1.00 0.50 C ATOM 2525 CG LYS A 157 -11.276 -2.788 11.999 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.797 -3.075 10.602 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.659 -4.550 10.259 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.747 -5.372 10.860 1.00 0.75 N ATOM 0 H LYS A 157 -9.191 -1.678 11.172 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.552 -0.208 10.529 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -10.841 -1.155 13.306 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.417 -1.067 12.545 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -10.237 -3.110 12.069 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -11.841 -3.377 12.722 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -12.844 -2.779 10.533 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.248 -2.476 9.875 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.670 -4.672 9.176 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.694 -4.914 10.611 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.593 -6.374 10.628 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -12.743 -5.251 11.893 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.665 -5.065 10.479 1.00 0.75 H new ATOM 2542 N SER A 158 -9.243 1.200 12.332 1.00 0.48 N ATOM 2543 CA SER A 158 -8.827 2.399 13.053 1.00 0.58 C ATOM 2544 C SER A 158 -8.959 3.643 12.177 1.00 0.49 C ATOM 2545 O SER A 158 -9.036 4.761 12.683 1.00 0.55 O ATOM 2546 CB SER A 158 -7.384 2.247 13.548 1.00 0.81 C ATOM 2547 OG SER A 158 -7.011 3.321 14.398 1.00 1.39 O ATOM 0 H SER A 158 -8.483 0.552 12.124 1.00 0.48 H new ATOM 0 HA SER A 158 -9.485 2.521 13.913 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.279 1.304 14.084 1.00 0.81 H new ATOM 0 HB3 SER A 158 -6.708 2.205 12.694 1.00 0.81 H new ATOM 0 HG SER A 158 -6.087 3.195 14.698 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.983 3.449 10.863 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.171 4.562 9.940 1.00 0.46 C ATOM 2555 C LEU A 159 -10.652 4.730 9.595 1.00 0.38 C ATOM 2556 O LEU A 159 -11.016 5.571 8.780 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.348 4.372 8.654 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.829 4.582 8.775 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.501 5.869 9.525 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.144 3.390 9.423 1.00 0.76 C ATOM 0 H LEU A 159 -8.876 2.539 10.416 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.817 5.465 10.438 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.524 3.363 8.282 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.729 5.061 7.900 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.440 4.675 7.761 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.419 5.986 9.592 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -6.925 6.719 8.991 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.924 5.823 10.529 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.072 3.578 9.490 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.549 3.237 10.423 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.319 2.498 8.821 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.500 3.921 10.222 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.931 4.027 9.997 1.00 0.41 C ATOM 2574 C GLY A 160 -13.452 2.999 9.009 1.00 0.35 C ATOM 2575 O GLY A 160 -14.662 2.870 8.813 1.00 0.42 O ATOM 0 H GLY A 160 -11.223 3.194 10.882 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.453 3.908 10.947 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -13.163 5.027 9.629 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.539 2.263 8.391 1.00 0.38 N ATOM 2580 CA LEU A 161 -12.902 1.263 7.394 1.00 0.35 C ATOM 2581 C LEU A 161 -13.449 0.004 8.046 1.00 0.37 C ATOM 2582 O LEU A 161 -13.337 -0.190 9.257 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.694 0.924 6.531 1.00 0.32 C ATOM 2584 CG LEU A 161 -11.780 1.419 5.087 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.402 1.800 4.574 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.399 0.336 4.212 1.00 0.35 C ATOM 0 H LEU A 161 -11.537 2.340 8.563 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.687 1.683 6.766 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.803 1.349 6.994 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.563 -0.158 6.522 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.411 2.307 5.050 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.481 2.150 3.545 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -9.989 2.593 5.197 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -9.746 0.930 4.612 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.460 0.690 3.183 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -11.781 -0.561 4.251 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.400 0.103 4.575 1.00 0.35 H new ATOM 2598 N LYS A 162 -14.031 -0.855 7.223 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.731 -2.030 7.708 1.00 0.42 C ATOM 2600 C LYS A 162 -14.186 -3.279 7.036 1.00 0.36 C ATOM 2601 O LYS A 162 -13.621 -3.210 5.945 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.239 -1.929 7.426 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.854 -0.545 7.641 1.00 0.86 C ATOM 2604 CD LYS A 162 -16.593 0.389 6.462 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.995 -0.249 5.148 1.00 0.77 C ATOM 2606 NZ LYS A 162 -18.469 -0.347 4.986 1.00 1.46 N ATOM 0 H LYS A 162 -14.031 -0.757 6.208 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.574 -2.090 8.785 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.420 -2.232 6.395 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.760 -2.643 8.064 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -17.929 -0.646 7.792 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -16.444 -0.104 8.550 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -17.148 1.317 6.602 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -15.536 0.651 6.432 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -16.581 0.333 4.325 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -16.559 -1.246 5.085 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -18.689 -0.790 4.071 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.865 -0.925 5.755 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -18.886 0.605 5.018 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.379 -4.412 7.706 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.979 -5.736 7.202 1.00 0.41 C ATOM 2622 C ASP A 163 -14.539 -5.996 5.808 1.00 0.39 C ATOM 2623 O ASP A 163 -13.981 -6.769 5.030 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.483 -6.819 8.165 1.00 0.52 C ATOM 2625 CG ASP A 163 -14.088 -8.227 7.747 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -13.003 -8.684 8.160 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -14.875 -8.888 7.033 1.00 1.81 O ATOM 0 H ASP A 163 -14.822 -4.444 8.624 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.891 -5.762 7.139 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -14.090 -6.620 9.162 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.569 -6.759 8.232 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.633 -5.315 5.497 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.322 -5.469 4.218 1.00 0.43 C ATOM 2634 C ASN A 164 -15.419 -5.062 3.062 1.00 0.38 C ATOM 2635 O ASN A 164 -15.652 -5.442 1.917 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.588 -4.609 4.189 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.472 -4.826 5.399 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.299 -4.171 6.425 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.423 -5.741 5.290 1.00 1.68 N ATOM 0 H ASN A 164 -16.070 -4.639 6.123 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.589 -6.520 4.109 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.306 -3.557 4.134 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -18.155 -4.835 3.286 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.047 -5.925 6.076 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.532 -6.262 4.420 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.394 -4.278 3.367 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.462 -3.817 2.354 1.00 0.31 C ATOM 2648 C ASN A 165 -12.041 -4.239 2.704 1.00 0.26 C ATOM 2649 O ASN A 165 -11.085 -3.531 2.405 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.527 -2.291 2.202 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.906 -1.788 1.821 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -15.732 -1.491 2.682 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -15.160 -1.679 0.526 1.00 0.61 N ATOM 0 H ASN A 165 -14.189 -3.949 4.310 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.746 -4.274 1.406 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.224 -1.825 3.140 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.810 -1.977 1.443 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -16.068 -1.338 0.211 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.447 -1.936 -0.157 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.900 -5.381 3.367 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.575 -5.874 3.734 1.00 0.22 C ATOM 2662 C ILE A 166 -10.346 -7.304 3.258 1.00 0.24 C ATOM 2663 O ILE A 166 -10.985 -8.238 3.737 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.361 -5.815 5.258 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.690 -4.418 5.779 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.930 -6.209 5.612 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.601 -4.298 7.277 1.00 0.26 C ATOM 0 H ILE A 166 -12.675 -5.977 3.659 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.857 -5.221 3.239 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.033 -6.527 5.737 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.008 -3.700 5.324 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.697 -4.148 5.460 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.796 -6.162 6.693 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.736 -7.224 5.266 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.234 -5.523 5.130 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.847 -3.279 7.576 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.303 -4.992 7.740 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.588 -4.536 7.602 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.415 -7.462 2.330 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.085 -8.766 1.772 1.00 0.26 C ATOM 2681 C VAL A 167 -7.737 -9.251 2.293 1.00 0.26 C ATOM 2682 O VAL A 167 -7.036 -8.539 3.015 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.036 -8.728 0.229 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.412 -8.447 -0.358 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -8.016 -7.709 -0.261 1.00 0.72 C ATOM 0 H VAL A 167 -8.868 -6.693 1.943 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.872 -9.453 2.085 1.00 0.26 H new ATOM 0 HB VAL A 167 -8.720 -9.712 -0.117 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.346 -8.426 -1.446 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.105 -9.230 -0.051 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -10.771 -7.483 0.002 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.002 -7.703 -1.351 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -8.287 -6.718 0.104 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.027 -7.975 0.113 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.375 -10.461 1.917 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.114 -11.037 2.335 1.00 0.28 C ATOM 2697 C PHE A 168 -5.318 -11.479 1.118 1.00 0.30 C ATOM 2698 O PHE A 168 -5.873 -11.660 0.034 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.358 -12.210 3.287 1.00 0.33 C ATOM 2700 CG PHE A 168 -7.099 -11.820 4.535 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.437 -11.202 5.586 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.458 -12.067 4.657 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -7.116 -10.840 6.733 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -9.141 -11.707 5.804 1.00 0.45 C ATOM 2705 CZ PHE A 168 -8.470 -11.094 6.842 1.00 0.40 C ATOM 0 H PHE A 168 -7.939 -11.066 1.320 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.535 -10.283 2.869 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.923 -12.982 2.764 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.400 -12.649 3.564 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.379 -11.002 5.506 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.989 -12.546 3.847 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.589 -10.359 7.544 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -10.199 -11.906 5.887 1.00 0.45 H new ATOM 0 HZ PHE A 168 -9.002 -10.813 7.739 1.00 0.40 H new ATOM 2715 N SER A 169 -4.015 -11.626 1.297 1.00 0.48 N ATOM 2716 CA SER A 169 -3.125 -11.982 0.205 1.00 0.63 C ATOM 2717 C SER A 169 -3.486 -13.314 -0.434 1.00 0.50 C ATOM 2718 O SER A 169 -3.726 -14.315 0.251 1.00 0.66 O ATOM 2719 CB SER A 169 -1.688 -12.044 0.701 1.00 1.01 C ATOM 2720 OG SER A 169 -1.566 -12.923 1.809 1.00 1.75 O ATOM 0 H SER A 169 -3.548 -11.503 2.196 1.00 0.48 H new ATOM 0 HA SER A 169 -3.234 -11.207 -0.554 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.036 -12.379 -0.106 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.355 -11.046 0.987 1.00 1.01 H new ATOM 0 HG SER A 169 -1.656 -12.414 2.642 1.00 1.75 H new ATOM 2726 N VAL A 170 -3.527 -13.306 -1.752 1.00 0.46 N ATOM 2727 CA VAL A 170 -3.623 -14.523 -2.529 1.00 0.41 C ATOM 2728 C VAL A 170 -2.246 -14.867 -3.075 1.00 0.41 C ATOM 2729 O VAL A 170 -1.604 -14.023 -3.702 1.00 0.43 O ATOM 2730 CB VAL A 170 -4.622 -14.361 -3.694 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -4.544 -15.536 -4.656 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.033 -14.206 -3.153 1.00 0.57 C ATOM 0 H VAL A 170 -3.495 -12.455 -2.313 1.00 0.46 H new ATOM 0 HA VAL A 170 -3.985 -15.325 -1.886 1.00 0.41 H new ATOM 0 HB VAL A 170 -4.355 -13.462 -4.249 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -5.260 -15.392 -5.465 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -3.538 -15.602 -5.069 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -4.779 -16.458 -4.124 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -6.730 -14.092 -3.983 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.300 -15.090 -2.573 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.083 -13.324 -2.514 1.00 0.57 H new ATOM 2742 N PRO A 171 -1.755 -16.083 -2.786 1.00 0.47 N ATOM 2743 CA PRO A 171 -0.490 -16.582 -3.334 1.00 0.54 C ATOM 2744 C PRO A 171 -0.512 -16.592 -4.858 1.00 0.54 C ATOM 2745 O PRO A 171 -1.039 -17.517 -5.478 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.393 -18.010 -2.789 1.00 0.66 C ATOM 2747 CG PRO A 171 -1.283 -18.030 -1.596 1.00 0.83 C ATOM 2748 CD PRO A 171 -2.389 -17.057 -1.886 1.00 0.57 C ATOM 0 HA PRO A 171 0.358 -15.958 -3.052 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -0.714 -18.739 -3.533 1.00 0.66 H new ATOM 0 HB3 PRO A 171 0.633 -18.261 -2.520 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -1.679 -19.030 -1.422 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -0.737 -17.743 -0.697 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -3.241 -17.546 -2.358 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.757 -16.583 -0.976 1.00 0.57 H new ATOM 2756 N THR A 172 0.044 -15.546 -5.445 1.00 0.65 N ATOM 2757 CA THR A 172 0.017 -15.359 -6.884 1.00 0.78 C ATOM 2758 C THR A 172 0.865 -16.399 -7.599 1.00 0.73 C ATOM 2759 O THR A 172 2.025 -16.633 -7.244 1.00 0.72 O ATOM 2760 CB THR A 172 0.541 -13.968 -7.250 1.00 1.07 C ATOM 2761 OG1 THR A 172 0.038 -13.009 -6.313 1.00 1.78 O ATOM 2762 CG2 THR A 172 0.125 -13.575 -8.659 1.00 0.81 C ATOM 0 H THR A 172 0.526 -14.804 -4.938 1.00 0.65 H new ATOM 0 HA THR A 172 -1.020 -15.467 -7.202 1.00 0.78 H new ATOM 0 HB THR A 172 1.630 -13.990 -7.213 1.00 1.07 H new ATOM 0 HG1 THR A 172 0.380 -12.119 -6.540 1.00 1.78 H new ATOM 0 HG21 THR A 172 0.512 -12.582 -8.889 1.00 0.81 H new ATOM 0 HG22 THR A 172 0.527 -14.296 -9.371 1.00 0.81 H new ATOM 0 HG23 THR A 172 -0.963 -13.565 -8.728 1.00 0.81 H new ATOM 2770 N ASP A 173 0.288 -17.000 -8.619 1.00 0.75 N ATOM 2771 CA ASP A 173 0.991 -17.982 -9.422 1.00 0.80 C ATOM 2772 C ASP A 173 1.580 -17.303 -10.649 1.00 0.77 C ATOM 2773 O ASP A 173 0.967 -17.261 -11.718 1.00 0.86 O ATOM 2774 CB ASP A 173 0.046 -19.114 -9.835 1.00 0.99 C ATOM 2775 CG ASP A 173 0.747 -20.204 -10.622 1.00 1.34 C ATOM 2776 OD1 ASP A 173 1.865 -20.604 -10.224 1.00 1.94 O ATOM 2777 OD2 ASP A 173 0.203 -20.648 -11.655 1.00 1.55 O ATOM 0 H ASP A 173 -0.673 -16.825 -8.914 1.00 0.75 H new ATOM 0 HA ASP A 173 1.798 -18.416 -8.832 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -0.405 -19.549 -8.943 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -0.766 -18.703 -10.435 1.00 0.99 H new ATOM 2782 N GLN A 174 2.774 -16.771 -10.463 1.00 0.78 N ATOM 2783 CA GLN A 174 3.530 -16.094 -11.509 1.00 0.94 C ATOM 2784 C GLN A 174 4.965 -15.895 -11.045 1.00 0.89 C ATOM 2785 O GLN A 174 5.356 -16.392 -9.992 1.00 1.21 O ATOM 2786 CB GLN A 174 2.926 -14.726 -11.882 1.00 1.17 C ATOM 2787 CG GLN A 174 1.999 -14.753 -13.090 1.00 1.69 C ATOM 2788 CD GLN A 174 2.534 -15.586 -14.243 1.00 2.98 C ATOM 2789 OE1 GLN A 174 3.742 -15.737 -14.409 1.00 3.60 O ATOM 2790 NE2 GLN A 174 1.637 -16.112 -15.062 1.00 3.76 N ATOM 0 H GLN A 174 3.257 -16.796 -9.565 1.00 0.78 H new ATOM 0 HA GLN A 174 3.493 -16.724 -12.397 1.00 0.94 H new ATOM 0 HB2 GLN A 174 2.374 -14.341 -11.025 1.00 1.17 H new ATOM 0 HB3 GLN A 174 3.738 -14.026 -12.079 1.00 1.17 H new ATOM 0 HG2 GLN A 174 1.029 -15.147 -12.786 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.834 -13.732 -13.435 1.00 1.69 H new ATOM 0 HE21 GLN A 174 0.642 -15.965 -14.891 1.00 3.76 H new ATOM 0 HE22 GLN A 174 1.941 -16.665 -15.864 1.00 3.76 H new ATOM 2799 N CYS A 175 5.727 -15.139 -11.818 1.00 0.79 N ATOM 2800 CA CYS A 175 7.138 -14.884 -11.531 1.00 0.85 C ATOM 2801 C CYS A 175 7.314 -13.840 -10.423 1.00 1.02 C ATOM 2802 O CYS A 175 8.273 -13.070 -10.429 1.00 2.06 O ATOM 2803 CB CYS A 175 7.813 -14.395 -12.810 1.00 0.90 C ATOM 2804 SG CYS A 175 7.086 -15.100 -14.327 1.00 1.07 S ATOM 0 H CYS A 175 5.389 -14.682 -12.665 1.00 0.79 H new ATOM 0 HA CYS A 175 7.595 -15.810 -11.183 1.00 0.85 H new ATOM 0 HB2 CYS A 175 7.746 -13.308 -12.855 1.00 0.90 H new ATOM 0 HB3 CYS A 175 8.873 -14.648 -12.772 1.00 0.90 H new ATOM 2809 N ILE A 176 6.392 -13.822 -9.471 1.00 0.60 N ATOM 2810 CA ILE A 176 6.418 -12.843 -8.393 1.00 0.56 C ATOM 2811 C ILE A 176 7.405 -13.261 -7.297 1.00 0.80 C ATOM 2812 O ILE A 176 7.068 -14.015 -6.376 1.00 1.52 O ATOM 2813 CB ILE A 176 5.006 -12.621 -7.795 1.00 0.51 C ATOM 2814 CG1 ILE A 176 5.105 -11.776 -6.522 1.00 0.46 C ATOM 2815 CG2 ILE A 176 4.304 -13.947 -7.529 1.00 0.81 C ATOM 2816 CD1 ILE A 176 3.808 -11.665 -5.745 1.00 0.65 C ATOM 0 H ILE A 176 5.612 -14.478 -9.423 1.00 0.60 H new ATOM 0 HA ILE A 176 6.755 -11.898 -8.818 1.00 0.56 H new ATOM 0 HB ILE A 176 4.401 -12.079 -8.522 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.868 -12.206 -5.873 1.00 0.46 H new ATOM 0 HG13 ILE A 176 5.441 -10.774 -6.790 1.00 0.46 H new ATOM 0 HG21 ILE A 176 3.316 -13.758 -7.110 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.202 -14.499 -8.464 1.00 0.81 H new ATOM 0 HG23 ILE A 176 4.891 -14.534 -6.823 1.00 0.81 H new ATOM 0 HD11 ILE A 176 3.966 -11.050 -4.859 1.00 0.65 H new ATOM 0 HD12 ILE A 176 3.045 -11.206 -6.374 1.00 0.65 H new ATOM 0 HD13 ILE A 176 3.479 -12.659 -5.443 1.00 0.65 H new ATOM 2828 N ASP A 177 8.632 -12.779 -7.417 1.00 0.96 N ATOM 2829 CA ASP A 177 9.666 -13.070 -6.434 1.00 1.17 C ATOM 2830 C ASP A 177 10.622 -11.893 -6.303 1.00 1.20 C ATOM 2831 O ASP A 177 10.887 -11.427 -5.196 1.00 1.77 O ATOM 2832 CB ASP A 177 10.440 -14.334 -6.822 1.00 1.56 C ATOM 2833 CG ASP A 177 11.477 -14.720 -5.785 1.00 2.20 C ATOM 2834 OD1 ASP A 177 11.094 -15.253 -4.722 1.00 2.72 O ATOM 2835 OD2 ASP A 177 12.679 -14.488 -6.022 1.00 2.64 O ATOM 0 H ASP A 177 8.937 -12.183 -8.187 1.00 0.96 H new ATOM 0 HA ASP A 177 9.183 -13.239 -5.472 1.00 1.17 H new ATOM 0 HB2 ASP A 177 9.740 -15.159 -6.956 1.00 1.56 H new ATOM 0 HB3 ASP A 177 10.932 -14.175 -7.782 1.00 1.56 H new ATOM 2840 N ASN A 178 11.117 -11.417 -7.449 1.00 1.25 N ATOM 2841 CA ASN A 178 12.051 -10.288 -7.506 1.00 1.44 C ATOM 2842 C ASN A 178 13.352 -10.617 -6.791 1.00 1.68 C ATOM 2843 O ASN A 178 14.240 -11.220 -7.428 1.00 2.24 O ATOM 2844 CB ASN A 178 11.433 -9.007 -6.926 1.00 1.56 C ATOM 2845 CG ASN A 178 10.398 -8.396 -7.844 1.00 2.49 C ATOM 2846 OD1 ASN A 178 10.720 -7.581 -8.708 1.00 3.26 O ATOM 2847 ND2 ASN A 178 9.143 -8.777 -7.659 1.00 3.01 N ATOM 2848 OXT ASN A 178 13.487 -10.285 -5.600 1.00 1.94 O ATOM 0 H ASN A 178 10.882 -11.803 -8.363 1.00 1.25 H new ATOM 0 HA ASN A 178 12.269 -10.107 -8.559 1.00 1.44 H new ATOM 0 HB2 ASN A 178 10.973 -9.233 -5.964 1.00 1.56 H new ATOM 0 HB3 ASN A 178 12.223 -8.279 -6.739 1.00 1.56 H new ATOM 0 HD21 ASN A 178 8.402 -8.392 -8.244 1.00 3.01 H new ATOM 0 HD22 ASN A 178 8.918 -9.455 -6.931 1.00 3.01 H new TER 2855 ASN A 178