USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 81 CYS SG : rot 180:sc= -0.172 USER MOD Set 1.2: A 83 SER OG : rot 33:sc= 0.512 USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.839 K(o=1.8,f=-2) USER MOD Set 2.2: A 109 TYR OH : rot 86:sc= 0.965 USER MOD Set 3.1: A 15 CYS SG : rot -51:sc= 0.439 USER MOD Set 3.2: A 16 CYS SG : rot -9:sc= 0.475 USER MOD Set 3.3: A 21 THR OG1 : rot -150:sc= -0.191 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.198 (180deg=-0.471) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0048 (180deg=-0.0195) USER MOD Single : A 3 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.78) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 10 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.0027) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0601 USER MOD Single : A 20 MET CE :methyl -161:sc= -0.0516 (180deg=-0.47) USER MOD Single : A 24 TYR OH : rot -52:sc= 0.00113 USER MOD Single : A 26 ASN : amide:sc= 0.811 K(o=0.81,f=-3.7!) USER MOD Single : A 29 CYS SG : rot -45:sc= -0.125 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00359 F(o=-0.76,f=-0.0036) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00646 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.569 USER MOD Single : A 45 MET CE :methyl 174:sc= -2.33! (180deg=-2.39!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 58:sc= 0.698 USER MOD Single : A 58 ASN : amide:sc= -2.06! C(o=-2.1!,f=-5.7!) USER MOD Single : A 61 MET CE :methyl 163:sc= -0.18 (180deg=-0.665) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 73 LYS NZ :NH3+ -117:sc= 1.31 (180deg=0.00887) USER MOD Single : A 79 CYS SG : rot 108:sc= 1.36 USER MOD Single : A 86 GLN : amide:sc= -1.74 K(o=-1.7,f=-6.2!) USER MOD Single : A 93 MET CE :methyl -170:sc= -0.0076 (180deg=-0.14) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot -20:sc= 0.166 USER MOD Single : A 102 THR OG1 : rot 73:sc= 0.972 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 108:sc= 0.624 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00295 USER MOD Single : A 116 GLN : amide:sc= -3.29! C(o=-3.3!,f=-7.7!) USER MOD Single : A 118 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.14) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=-0.52) USER MOD Single : A 127 HIS : no HD1:sc= -0.195 X(o=-0.19,f=0.039) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.364 22.129 -18.148 1.00 0.00 N ATOM 2 CA MET A 1 31.137 21.495 -17.586 1.00 0.00 C ATOM 3 C MET A 1 31.357 19.984 -17.327 1.00 0.00 C ATOM 4 O MET A 1 32.043 19.307 -18.101 1.00 0.00 O ATOM 5 CB MET A 1 29.924 21.727 -18.531 1.00 0.00 C ATOM 6 CG MET A 1 30.108 21.198 -19.964 1.00 0.00 C ATOM 7 SD MET A 1 28.670 21.486 -21.021 1.00 0.00 S ATOM 8 CE MET A 1 27.419 20.443 -20.261 1.00 0.00 C ATOM 0 H1 MET A 1 32.099 22.772 -18.922 1.00 0.00 H new ATOM 0 H2 MET A 1 32.850 22.667 -17.402 1.00 0.00 H new ATOM 0 H3 MET A 1 33.000 21.391 -18.513 1.00 0.00 H new ATOM 0 HA MET A 1 30.920 21.966 -16.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.046 21.252 -18.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.718 22.796 -18.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.980 21.675 -20.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.314 20.128 -19.926 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.710 20.114 -21.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.896 19.574 -19.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.892 21.008 -19.493 1.00 0.00 H new ATOM 20 N GLY A 2 30.771 19.473 -16.227 1.00 0.00 N ATOM 21 CA GLY A 2 30.844 18.042 -15.870 1.00 0.00 C ATOM 22 C GLY A 2 29.565 17.259 -16.209 1.00 0.00 C ATOM 23 O GLY A 2 29.519 16.032 -16.042 1.00 0.00 O ATOM 0 H GLY A 2 30.237 20.036 -15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 2 31.687 17.588 -16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 2 31.043 17.952 -14.802 1.00 0.00 H new ATOM 27 N GLN A 3 28.521 17.974 -16.675 1.00 0.00 N ATOM 28 CA GLN A 3 27.232 17.369 -17.094 1.00 0.00 C ATOM 29 C GLN A 3 27.428 16.573 -18.420 1.00 0.00 C ATOM 30 O GLN A 3 28.051 17.080 -19.367 1.00 0.00 O ATOM 31 CB GLN A 3 26.157 18.502 -17.270 1.00 0.00 C ATOM 32 CG GLN A 3 24.661 18.098 -17.134 1.00 0.00 C ATOM 33 CD GLN A 3 24.159 17.069 -18.155 1.00 0.00 C ATOM 34 OE1 GLN A 3 24.144 15.867 -17.892 1.00 0.00 O ATOM 35 NE2 GLN A 3 23.762 17.524 -19.332 1.00 0.00 N ATOM 0 H GLN A 3 28.544 18.989 -16.773 1.00 0.00 H new ATOM 0 HA GLN A 3 26.883 16.675 -16.330 1.00 0.00 H new ATOM 0 HB2 GLN A 3 26.364 19.280 -16.535 1.00 0.00 H new ATOM 0 HB3 GLN A 3 26.297 18.949 -18.254 1.00 0.00 H new ATOM 0 HG2 GLN A 3 24.500 17.698 -16.133 1.00 0.00 H new ATOM 0 HG3 GLN A 3 24.051 18.997 -17.220 1.00 0.00 H new ATOM 0 HE21 GLN A 3 23.784 18.525 -19.526 1.00 0.00 H new ATOM 0 HE22 GLN A 3 23.434 16.874 -20.046 1.00 0.00 H new ATOM 44 N GLY A 4 26.890 15.333 -18.467 1.00 0.00 N ATOM 45 CA GLY A 4 26.978 14.480 -19.660 1.00 0.00 C ATOM 46 C GLY A 4 26.164 15.016 -20.845 1.00 0.00 C ATOM 47 O GLY A 4 24.926 14.947 -20.851 1.00 0.00 O ATOM 0 H GLY A 4 26.390 14.906 -17.687 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.023 14.388 -19.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.628 13.479 -19.410 1.00 0.00 H new ATOM 51 N GLN A 5 26.874 15.540 -21.851 1.00 0.00 N ATOM 52 CA GLN A 5 26.283 16.110 -23.078 1.00 0.00 C ATOM 53 C GLN A 5 26.919 15.457 -24.324 1.00 0.00 C ATOM 54 O GLN A 5 28.148 15.411 -24.450 1.00 0.00 O ATOM 55 CB GLN A 5 26.499 17.652 -23.099 1.00 0.00 C ATOM 56 CG GLN A 5 25.994 18.371 -24.378 1.00 0.00 C ATOM 57 CD GLN A 5 26.189 19.892 -24.358 1.00 0.00 C ATOM 58 OE1 GLN A 5 27.117 20.405 -23.745 1.00 0.00 O ATOM 59 NE2 GLN A 5 25.324 20.624 -25.042 1.00 0.00 N ATOM 0 H GLN A 5 27.893 15.583 -21.840 1.00 0.00 H new ATOM 0 HA GLN A 5 25.212 15.906 -23.090 1.00 0.00 H new ATOM 0 HB2 GLN A 5 25.996 18.085 -22.235 1.00 0.00 H new ATOM 0 HB3 GLN A 5 27.564 17.856 -22.983 1.00 0.00 H new ATOM 0 HG2 GLN A 5 26.515 17.960 -25.243 1.00 0.00 H new ATOM 0 HG3 GLN A 5 24.934 18.153 -24.510 1.00 0.00 H new ATOM 0 HE21 GLN A 5 24.559 20.173 -25.544 1.00 0.00 H new ATOM 0 HE22 GLN A 5 25.422 21.639 -25.067 1.00 0.00 H new ATOM 68 N ASN A 6 26.073 14.948 -25.233 1.00 0.00 N ATOM 69 CA ASN A 6 26.512 14.356 -26.520 1.00 0.00 C ATOM 70 C ASN A 6 26.336 15.364 -27.679 1.00 0.00 C ATOM 71 O ASN A 6 25.576 16.332 -27.560 1.00 0.00 O ATOM 72 CB ASN A 6 25.721 13.054 -26.801 1.00 0.00 C ATOM 73 CG ASN A 6 25.936 12.003 -25.712 1.00 0.00 C ATOM 74 OD1 ASN A 6 25.192 11.939 -24.744 1.00 0.00 O ATOM 75 ND2 ASN A 6 26.972 11.200 -25.847 1.00 0.00 N ATOM 0 H ASN A 6 25.062 14.932 -25.102 1.00 0.00 H new ATOM 0 HA ASN A 6 27.572 14.113 -26.447 1.00 0.00 H new ATOM 0 HB2 ASN A 6 24.658 13.285 -26.876 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.027 12.645 -27.764 1.00 0.00 H new ATOM 0 HD21 ASN A 6 27.172 10.500 -25.132 1.00 0.00 H new ATOM 0 HD22 ASN A 6 27.574 11.278 -26.666 1.00 0.00 H new ATOM 82 N VAL A 7 27.021 15.097 -28.809 1.00 0.00 N ATOM 83 CA VAL A 7 27.051 15.992 -29.998 1.00 0.00 C ATOM 84 C VAL A 7 25.655 16.199 -30.657 1.00 0.00 C ATOM 85 O VAL A 7 25.418 17.219 -31.314 1.00 0.00 O ATOM 86 CB VAL A 7 28.079 15.462 -31.073 1.00 0.00 C ATOM 87 CG1 VAL A 7 29.525 15.460 -30.504 1.00 0.00 C ATOM 88 CG2 VAL A 7 27.677 14.052 -31.599 1.00 0.00 C ATOM 0 H VAL A 7 27.575 14.249 -28.930 1.00 0.00 H new ATOM 0 HA VAL A 7 27.372 16.966 -29.628 1.00 0.00 H new ATOM 0 HB VAL A 7 28.053 16.145 -31.922 1.00 0.00 H new ATOM 0 HG11 VAL A 7 30.214 15.091 -31.263 1.00 0.00 H new ATOM 0 HG12 VAL A 7 29.806 16.474 -30.221 1.00 0.00 H new ATOM 0 HG13 VAL A 7 29.570 14.813 -29.628 1.00 0.00 H new ATOM 0 HG21 VAL A 7 28.406 13.718 -32.337 1.00 0.00 H new ATOM 0 HG22 VAL A 7 27.652 13.347 -30.768 1.00 0.00 H new ATOM 0 HG23 VAL A 7 26.691 14.103 -32.060 1.00 0.00 H new ATOM 98 N LEU A 8 24.736 15.236 -30.455 1.00 0.00 N ATOM 99 CA LEU A 8 23.366 15.288 -31.024 1.00 0.00 C ATOM 100 C LEU A 8 22.369 16.042 -30.102 1.00 0.00 C ATOM 101 O LEU A 8 21.256 16.367 -30.529 1.00 0.00 O ATOM 102 CB LEU A 8 22.830 13.860 -31.430 1.00 0.00 C ATOM 103 CG LEU A 8 22.984 12.626 -30.450 1.00 0.00 C ATOM 104 CD1 LEU A 8 24.440 12.133 -30.338 1.00 0.00 C ATOM 105 CD2 LEU A 8 22.363 12.873 -29.057 1.00 0.00 C ATOM 0 H LEU A 8 24.916 14.402 -29.896 1.00 0.00 H new ATOM 0 HA LEU A 8 23.441 15.868 -31.944 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.767 13.967 -31.646 1.00 0.00 H new ATOM 0 HB3 LEU A 8 23.319 13.589 -32.365 1.00 0.00 H new ATOM 0 HG LEU A 8 22.407 11.824 -30.910 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.486 11.286 -29.653 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.796 11.825 -31.321 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.069 12.939 -29.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.503 11.989 -28.434 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.850 13.728 -28.588 1.00 0.00 H new ATOM 0 HD23 LEU A 8 21.298 13.076 -29.164 1.00 0.00 H new ATOM 117 N GLY A 9 22.788 16.317 -28.847 1.00 0.00 N ATOM 118 CA GLY A 9 21.948 17.030 -27.867 1.00 0.00 C ATOM 119 C GLY A 9 20.783 16.179 -27.326 1.00 0.00 C ATOM 120 O GLY A 9 19.749 16.039 -27.986 1.00 0.00 O ATOM 0 H GLY A 9 23.707 16.054 -28.491 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.571 17.353 -27.033 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.546 17.930 -28.331 1.00 0.00 H new ATOM 124 N GLN A 10 20.942 15.624 -26.107 1.00 0.00 N ATOM 125 CA GLN A 10 19.954 14.706 -25.498 1.00 0.00 C ATOM 126 C GLN A 10 19.711 15.023 -24.009 1.00 0.00 C ATOM 127 O GLN A 10 20.555 15.632 -23.343 1.00 0.00 O ATOM 128 CB GLN A 10 20.401 13.223 -25.718 1.00 0.00 C ATOM 129 CG GLN A 10 21.861 12.869 -25.301 1.00 0.00 C ATOM 130 CD GLN A 10 22.063 12.594 -23.799 1.00 0.00 C ATOM 131 OE1 GLN A 10 21.892 11.473 -23.341 1.00 0.00 O ATOM 132 NE2 GLN A 10 22.456 13.596 -23.033 1.00 0.00 N ATOM 0 H GLN A 10 21.756 15.798 -25.518 1.00 0.00 H new ATOM 0 HA GLN A 10 18.996 14.853 -25.996 1.00 0.00 H new ATOM 0 HB2 GLN A 10 19.721 12.576 -25.164 1.00 0.00 H new ATOM 0 HB3 GLN A 10 20.280 12.983 -26.774 1.00 0.00 H new ATOM 0 HG2 GLN A 10 22.179 11.990 -25.861 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.516 13.689 -25.596 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.592 14.523 -23.436 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.623 13.443 -22.039 1.00 0.00 H new ATOM 141 N ASP A 11 18.537 14.614 -23.505 1.00 0.00 N ATOM 142 CA ASP A 11 18.153 14.793 -22.083 1.00 0.00 C ATOM 143 C ASP A 11 17.015 13.800 -21.695 1.00 0.00 C ATOM 144 O ASP A 11 16.337 13.959 -20.675 1.00 0.00 O ATOM 145 CB ASP A 11 17.761 16.282 -21.843 1.00 0.00 C ATOM 146 CG ASP A 11 17.693 16.675 -20.355 1.00 0.00 C ATOM 147 OD1 ASP A 11 18.754 16.712 -19.694 1.00 0.00 O ATOM 148 OD2 ASP A 11 16.589 16.945 -19.837 1.00 0.00 O ATOM 0 H ASP A 11 17.823 14.149 -24.065 1.00 0.00 H new ATOM 0 HA ASP A 11 18.997 14.562 -21.434 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.484 16.924 -22.346 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.792 16.472 -22.304 1.00 0.00 H new ATOM 153 N LEU A 12 16.840 12.751 -22.523 1.00 0.00 N ATOM 154 CA LEU A 12 15.911 11.626 -22.257 1.00 0.00 C ATOM 155 C LEU A 12 16.705 10.369 -21.833 1.00 0.00 C ATOM 156 O LEU A 12 17.938 10.327 -21.987 1.00 0.00 O ATOM 157 CB LEU A 12 15.062 11.324 -23.529 1.00 0.00 C ATOM 158 CG LEU A 12 14.179 12.499 -24.065 1.00 0.00 C ATOM 159 CD1 LEU A 12 13.444 12.109 -25.369 1.00 0.00 C ATOM 160 CD2 LEU A 12 13.189 12.988 -22.983 1.00 0.00 C ATOM 0 H LEU A 12 17.343 12.657 -23.405 1.00 0.00 H new ATOM 0 HA LEU A 12 15.240 11.906 -21.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.737 11.012 -24.326 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.411 10.477 -23.313 1.00 0.00 H new ATOM 0 HG LEU A 12 14.844 13.328 -24.306 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.841 12.949 -25.712 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.175 11.851 -26.135 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.798 11.252 -25.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.588 13.805 -23.382 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.536 12.166 -22.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.745 13.338 -22.113 1.00 0.00 H new ATOM 172 N GLU A 13 16.002 9.354 -21.300 1.00 0.00 N ATOM 173 CA GLU A 13 16.623 8.062 -20.929 1.00 0.00 C ATOM 174 C GLU A 13 16.919 7.207 -22.194 1.00 0.00 C ATOM 175 O GLU A 13 16.143 7.227 -23.149 1.00 0.00 O ATOM 176 CB GLU A 13 15.750 7.299 -19.867 1.00 0.00 C ATOM 177 CG GLU A 13 14.212 7.223 -20.108 1.00 0.00 C ATOM 178 CD GLU A 13 13.779 6.443 -21.369 1.00 0.00 C ATOM 179 OE1 GLU A 13 13.952 5.195 -21.412 1.00 0.00 O ATOM 180 OE2 GLU A 13 13.275 7.076 -22.321 1.00 0.00 O ATOM 0 H GLU A 13 15.000 9.400 -21.115 1.00 0.00 H new ATOM 0 HA GLU A 13 17.583 8.261 -20.453 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.128 6.279 -19.793 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.914 7.770 -18.898 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.747 6.761 -19.237 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.821 8.238 -20.177 1.00 0.00 H new ATOM 187 N VAL A 14 18.079 6.507 -22.200 1.00 0.00 N ATOM 188 CA VAL A 14 18.520 5.651 -23.336 1.00 0.00 C ATOM 189 C VAL A 14 19.849 4.917 -22.995 1.00 0.00 C ATOM 190 O VAL A 14 20.677 5.436 -22.234 1.00 0.00 O ATOM 191 CB VAL A 14 18.697 6.489 -24.679 1.00 0.00 C ATOM 192 CG1 VAL A 14 19.806 7.573 -24.553 1.00 0.00 C ATOM 193 CG2 VAL A 14 18.922 5.569 -25.912 1.00 0.00 C ATOM 0 H VAL A 14 18.737 6.518 -21.420 1.00 0.00 H new ATOM 0 HA VAL A 14 17.735 4.913 -23.499 1.00 0.00 H new ATOM 0 HB VAL A 14 17.759 7.018 -24.844 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.890 8.118 -25.493 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.548 8.267 -23.753 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.758 7.094 -24.325 1.00 0.00 H new ATOM 0 HG21 VAL A 14 19.038 6.181 -26.806 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.822 4.972 -25.761 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.064 4.907 -26.034 1.00 0.00 H new ATOM 203 N CYS A 15 20.026 3.692 -23.532 1.00 0.00 N ATOM 204 CA CYS A 15 21.320 2.974 -23.474 1.00 0.00 C ATOM 205 C CYS A 15 22.251 3.447 -24.618 1.00 0.00 C ATOM 206 O CYS A 15 23.307 4.043 -24.371 1.00 0.00 O ATOM 207 CB CYS A 15 21.100 1.448 -23.555 1.00 0.00 C ATOM 208 SG CYS A 15 22.628 0.480 -23.577 1.00 0.00 S ATOM 0 H CYS A 15 19.288 3.177 -24.012 1.00 0.00 H new ATOM 0 HA CYS A 15 21.797 3.202 -22.521 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.496 1.133 -22.704 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.527 1.222 -24.454 1.00 0.00 H new ATOM 0 HG CYS A 15 23.423 0.945 -24.495 1.00 0.00 H new ATOM 214 N CYS A 16 21.830 3.192 -25.877 1.00 0.00 N ATOM 215 CA CYS A 16 22.570 3.621 -27.092 1.00 0.00 C ATOM 216 C CYS A 16 21.587 3.915 -28.250 1.00 0.00 C ATOM 217 O CYS A 16 20.503 3.324 -28.323 1.00 0.00 O ATOM 218 CB CYS A 16 23.583 2.538 -27.547 1.00 0.00 C ATOM 219 SG CYS A 16 24.750 1.995 -26.274 1.00 0.00 S ATOM 0 H CYS A 16 20.970 2.684 -26.083 1.00 0.00 H new ATOM 0 HA CYS A 16 23.117 4.529 -26.837 1.00 0.00 H new ATOM 0 HB2 CYS A 16 23.028 1.670 -27.903 1.00 0.00 H new ATOM 0 HB3 CYS A 16 24.148 2.925 -28.395 1.00 0.00 H new ATOM 0 HG CYS A 16 24.649 2.769 -25.234 1.00 0.00 H new ATOM 225 N CYS A 17 21.995 4.817 -29.162 1.00 0.00 N ATOM 226 CA CYS A 17 21.221 5.160 -30.384 1.00 0.00 C ATOM 227 C CYS A 17 21.495 4.160 -31.542 1.00 0.00 C ATOM 228 O CYS A 17 20.916 4.285 -32.628 1.00 0.00 O ATOM 229 CB CYS A 17 21.582 6.595 -30.831 1.00 0.00 C ATOM 230 SG CYS A 17 23.340 6.834 -31.190 1.00 0.00 S ATOM 0 H CYS A 17 22.871 5.333 -29.078 1.00 0.00 H new ATOM 0 HA CYS A 17 20.160 5.098 -30.142 1.00 0.00 H new ATOM 0 HB2 CYS A 17 21.003 6.844 -31.720 1.00 0.00 H new ATOM 0 HB3 CYS A 17 21.283 7.294 -30.050 1.00 0.00 H new ATOM 0 HG CYS A 17 23.544 8.064 -31.558 1.00 0.00 H new ATOM 236 N ALA A 18 22.381 3.171 -31.293 1.00 0.00 N ATOM 237 CA ALA A 18 22.803 2.171 -32.301 1.00 0.00 C ATOM 238 C ALA A 18 21.779 1.003 -32.427 1.00 0.00 C ATOM 239 O ALA A 18 21.225 0.557 -31.413 1.00 0.00 O ATOM 240 CB ALA A 18 24.200 1.629 -31.940 1.00 0.00 C ATOM 0 H ALA A 18 22.826 3.043 -30.384 1.00 0.00 H new ATOM 0 HA ALA A 18 22.844 2.667 -33.271 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.508 0.893 -32.683 1.00 0.00 H new ATOM 0 HB2 ALA A 18 24.916 2.451 -31.924 1.00 0.00 H new ATOM 0 HB3 ALA A 18 24.165 1.159 -30.957 1.00 0.00 H new ATOM 246 N PRO A 19 21.512 0.488 -33.684 1.00 0.00 N ATOM 247 CA PRO A 19 20.596 -0.676 -33.926 1.00 0.00 C ATOM 248 C PRO A 19 21.006 -1.998 -33.202 1.00 0.00 C ATOM 249 O PRO A 19 20.195 -2.923 -33.115 1.00 0.00 O ATOM 250 CB PRO A 19 20.616 -0.853 -35.476 1.00 0.00 C ATOM 251 CG PRO A 19 21.838 -0.113 -35.937 1.00 0.00 C ATOM 252 CD PRO A 19 22.018 1.038 -34.971 1.00 0.00 C ATOM 0 HA PRO A 19 19.608 -0.470 -33.515 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.665 -1.906 -35.752 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.713 -0.446 -35.931 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.712 -0.764 -35.935 1.00 0.00 H new ATOM 0 HG3 PRO A 19 21.713 0.250 -36.957 1.00 0.00 H new ATOM 0 HD2 PRO A 19 23.062 1.341 -34.896 1.00 0.00 H new ATOM 0 HD3 PRO A 19 21.453 1.917 -35.283 1.00 0.00 H new ATOM 260 N MET A 20 22.261 -2.087 -32.711 1.00 0.00 N ATOM 261 CA MET A 20 22.728 -3.254 -31.916 1.00 0.00 C ATOM 262 C MET A 20 22.028 -3.309 -30.529 1.00 0.00 C ATOM 263 O MET A 20 21.636 -4.390 -30.060 1.00 0.00 O ATOM 264 CB MET A 20 24.274 -3.239 -31.767 1.00 0.00 C ATOM 265 CG MET A 20 24.846 -4.439 -30.987 1.00 0.00 C ATOM 266 SD MET A 20 26.651 -4.533 -31.027 1.00 0.00 S ATOM 267 CE MET A 20 26.962 -4.855 -32.769 1.00 0.00 C ATOM 0 H MET A 20 22.971 -1.368 -32.849 1.00 0.00 H new ATOM 0 HA MET A 20 22.452 -4.159 -32.457 1.00 0.00 H new ATOM 0 HB2 MET A 20 24.723 -3.218 -32.760 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.570 -2.319 -31.264 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.516 -4.378 -29.950 1.00 0.00 H new ATOM 0 HG3 MET A 20 24.433 -5.360 -31.399 1.00 0.00 H new ATOM 0 HE1 MET A 20 27.965 -5.265 -32.890 1.00 0.00 H new ATOM 0 HE2 MET A 20 26.230 -5.571 -33.143 1.00 0.00 H new ATOM 0 HE3 MET A 20 26.880 -3.925 -33.331 1.00 0.00 H new ATOM 277 N THR A 21 21.894 -2.137 -29.877 1.00 0.00 N ATOM 278 CA THR A 21 21.069 -1.982 -28.652 1.00 0.00 C ATOM 279 C THR A 21 19.566 -2.040 -28.999 1.00 0.00 C ATOM 280 O THR A 21 18.804 -2.814 -28.401 1.00 0.00 O ATOM 281 CB THR A 21 21.394 -0.640 -27.897 1.00 0.00 C ATOM 282 OG1 THR A 21 22.739 -0.683 -27.382 1.00 0.00 O ATOM 283 CG2 THR A 21 20.420 -0.347 -26.735 1.00 0.00 C ATOM 0 H THR A 21 22.349 -1.275 -30.178 1.00 0.00 H new ATOM 0 HA THR A 21 21.316 -2.810 -27.988 1.00 0.00 H new ATOM 0 HB THR A 21 21.283 0.162 -28.627 1.00 0.00 H new ATOM 0 HG1 THR A 21 22.795 -0.141 -26.567 1.00 0.00 H new ATOM 0 HG21 THR A 21 20.698 0.591 -26.255 1.00 0.00 H new ATOM 0 HG22 THR A 21 19.404 -0.270 -27.122 1.00 0.00 H new ATOM 0 HG23 THR A 21 20.470 -1.156 -26.006 1.00 0.00 H new ATOM 291 N GLY A 22 19.160 -1.223 -29.986 1.00 0.00 N ATOM 292 CA GLY A 22 17.750 -1.104 -30.377 1.00 0.00 C ATOM 293 C GLY A 22 17.013 0.002 -29.607 1.00 0.00 C ATOM 294 O GLY A 22 17.350 0.318 -28.454 1.00 0.00 O ATOM 0 H GLY A 22 19.793 -0.634 -30.528 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.690 -0.899 -31.446 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.248 -2.056 -30.206 1.00 0.00 H new ATOM 298 N TRP A 23 15.999 0.594 -30.254 1.00 0.00 N ATOM 299 CA TRP A 23 15.191 1.691 -29.685 1.00 0.00 C ATOM 300 C TRP A 23 13.952 1.109 -28.980 1.00 0.00 C ATOM 301 O TRP A 23 12.985 0.706 -29.637 1.00 0.00 O ATOM 302 CB TRP A 23 14.790 2.685 -30.817 1.00 0.00 C ATOM 303 CG TRP A 23 15.977 3.191 -31.614 1.00 0.00 C ATOM 304 CD1 TRP A 23 16.735 4.304 -31.363 1.00 0.00 C ATOM 305 CD2 TRP A 23 16.554 2.576 -32.782 1.00 0.00 C ATOM 306 NE1 TRP A 23 17.727 4.421 -32.306 1.00 0.00 N ATOM 307 CE2 TRP A 23 17.641 3.372 -33.182 1.00 0.00 C ATOM 308 CE3 TRP A 23 16.251 1.432 -33.523 1.00 0.00 C ATOM 309 CZ2 TRP A 23 18.426 3.061 -34.289 1.00 0.00 C ATOM 310 CZ3 TRP A 23 17.028 1.121 -34.622 1.00 0.00 C ATOM 311 CH2 TRP A 23 18.106 1.935 -34.996 1.00 0.00 C ATOM 0 H TRP A 23 15.711 0.325 -31.195 1.00 0.00 H new ATOM 0 HA TRP A 23 15.774 2.239 -28.944 1.00 0.00 H new ATOM 0 HB2 TRP A 23 14.090 2.193 -31.492 1.00 0.00 H new ATOM 0 HB3 TRP A 23 14.267 3.534 -30.378 1.00 0.00 H new ATOM 0 HD1 TRP A 23 16.576 4.989 -30.544 1.00 0.00 H new ATOM 0 HE1 TRP A 23 18.418 5.170 -32.347 1.00 0.00 H new ATOM 0 HE3 TRP A 23 15.422 0.800 -33.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 19.257 3.686 -34.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 16.802 0.238 -35.201 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.696 1.667 -35.860 1.00 0.00 H new ATOM 322 N TYR A 24 14.007 1.031 -27.642 1.00 0.00 N ATOM 323 CA TYR A 24 12.924 0.449 -26.817 1.00 0.00 C ATOM 324 C TYR A 24 11.781 1.475 -26.578 1.00 0.00 C ATOM 325 O TYR A 24 11.553 1.910 -25.435 1.00 0.00 O ATOM 326 CB TYR A 24 13.485 -0.050 -25.465 1.00 0.00 C ATOM 327 CG TYR A 24 14.560 -1.137 -25.548 1.00 0.00 C ATOM 328 CD1 TYR A 24 15.914 -0.803 -25.655 1.00 0.00 C ATOM 329 CD2 TYR A 24 14.224 -2.496 -25.481 1.00 0.00 C ATOM 330 CE1 TYR A 24 16.888 -1.778 -25.696 1.00 0.00 C ATOM 331 CE2 TYR A 24 15.202 -3.471 -25.513 1.00 0.00 C ATOM 332 CZ TYR A 24 16.531 -3.106 -25.621 1.00 0.00 C ATOM 333 OH TYR A 24 17.511 -4.071 -25.638 1.00 0.00 O ATOM 0 H TYR A 24 14.800 1.368 -27.097 1.00 0.00 H new ATOM 0 HA TYR A 24 12.508 -0.398 -27.363 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.899 0.803 -24.928 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.656 -0.430 -24.868 1.00 0.00 H new ATOM 0 HD1 TYR A 24 16.202 0.237 -25.706 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.186 -2.785 -25.403 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.928 -1.501 -25.787 1.00 0.00 H new ATOM 0 HE2 TYR A 24 14.929 -4.514 -25.454 1.00 0.00 H new ATOM 0 HH TYR A 24 18.100 -3.925 -26.407 1.00 0.00 H new ATOM 343 N ARG A 25 11.083 1.845 -27.675 1.00 0.00 N ATOM 344 CA ARG A 25 9.968 2.826 -27.691 1.00 0.00 C ATOM 345 C ARG A 25 10.425 4.229 -27.179 1.00 0.00 C ATOM 346 O ARG A 25 10.634 5.144 -27.979 1.00 0.00 O ATOM 347 CB ARG A 25 8.718 2.261 -26.922 1.00 0.00 C ATOM 348 CG ARG A 25 7.355 2.947 -27.236 1.00 0.00 C ATOM 349 CD ARG A 25 7.169 4.323 -26.566 1.00 0.00 C ATOM 350 NE ARG A 25 5.892 4.972 -26.918 1.00 0.00 N ATOM 351 CZ ARG A 25 5.502 6.158 -26.488 1.00 0.00 C ATOM 352 NH1 ARG A 25 6.247 6.865 -25.684 1.00 0.00 N ATOM 353 NH2 ARG A 25 4.361 6.631 -26.863 1.00 0.00 N ATOM 0 H ARG A 25 11.283 1.461 -28.599 1.00 0.00 H new ATOM 0 HA ARG A 25 9.658 2.978 -28.725 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.628 1.198 -27.147 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.906 2.345 -25.852 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.261 3.066 -28.315 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.548 2.288 -26.917 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.222 4.203 -25.484 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.993 4.975 -26.856 1.00 0.00 H new ATOM 0 HE ARG A 25 5.262 4.466 -27.541 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.150 6.504 -25.376 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.927 7.779 -25.364 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.765 6.089 -27.489 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.055 7.547 -26.534 1.00 0.00 H new ATOM 367 N ASN A 26 10.561 4.382 -25.843 1.00 0.00 N ATOM 368 CA ASN A 26 11.014 5.635 -25.199 1.00 0.00 C ATOM 369 C ASN A 26 12.530 5.844 -25.450 1.00 0.00 C ATOM 370 O ASN A 26 12.938 6.795 -26.133 1.00 0.00 O ATOM 371 CB ASN A 26 10.720 5.583 -23.668 1.00 0.00 C ATOM 372 CG ASN A 26 9.235 5.454 -23.307 1.00 0.00 C ATOM 373 OD1 ASN A 26 8.361 5.923 -24.024 1.00 0.00 O ATOM 374 ND2 ASN A 26 8.945 4.828 -22.180 1.00 0.00 N ATOM 0 H ASN A 26 10.358 3.636 -25.178 1.00 0.00 H new ATOM 0 HA ASN A 26 10.470 6.474 -25.632 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.260 4.740 -23.236 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.116 6.487 -23.204 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.973 4.726 -21.889 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.693 4.447 -21.601 1.00 0.00 H new ATOM 381 N GLY A 27 13.336 4.906 -24.919 1.00 0.00 N ATOM 382 CA GLY A 27 14.793 4.936 -25.064 1.00 0.00 C ATOM 383 C GLY A 27 15.431 3.604 -24.676 1.00 0.00 C ATOM 384 O GLY A 27 16.168 2.994 -25.467 1.00 0.00 O ATOM 0 H GLY A 27 12.992 4.111 -24.380 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.050 5.175 -26.096 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.204 5.730 -24.441 1.00 0.00 H new ATOM 388 N PHE A 28 15.152 3.147 -23.437 1.00 0.00 N ATOM 389 CA PHE A 28 15.577 1.804 -22.964 1.00 0.00 C ATOM 390 C PHE A 28 14.451 1.111 -22.151 1.00 0.00 C ATOM 391 O PHE A 28 14.329 -0.117 -22.191 1.00 0.00 O ATOM 392 CB PHE A 28 16.919 1.852 -22.162 1.00 0.00 C ATOM 393 CG PHE A 28 16.812 2.267 -20.686 1.00 0.00 C ATOM 394 CD1 PHE A 28 16.832 3.606 -20.306 1.00 0.00 C ATOM 395 CD2 PHE A 28 16.688 1.301 -19.674 1.00 0.00 C ATOM 396 CE1 PHE A 28 16.733 3.967 -18.973 1.00 0.00 C ATOM 397 CE2 PHE A 28 16.588 1.667 -18.347 1.00 0.00 C ATOM 398 CZ PHE A 28 16.608 3.002 -17.996 1.00 0.00 C ATOM 0 H PHE A 28 14.634 3.686 -22.743 1.00 0.00 H new ATOM 0 HA PHE A 28 15.767 1.201 -23.852 1.00 0.00 H new ATOM 0 HB2 PHE A 28 17.381 0.866 -22.208 1.00 0.00 H new ATOM 0 HB3 PHE A 28 17.594 2.544 -22.665 1.00 0.00 H new ATOM 0 HD1 PHE A 28 16.926 4.373 -21.061 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.671 0.254 -19.939 1.00 0.00 H new ATOM 0 HE1 PHE A 28 16.754 5.011 -18.697 1.00 0.00 H new ATOM 0 HE2 PHE A 28 16.494 0.909 -17.583 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.526 3.290 -16.958 1.00 0.00 H new ATOM 408 N CYS A 29 13.646 1.892 -21.400 1.00 0.00 N ATOM 409 CA CYS A 29 12.526 1.342 -20.595 1.00 0.00 C ATOM 410 C CYS A 29 11.184 1.475 -21.357 1.00 0.00 C ATOM 411 O CYS A 29 10.741 2.585 -21.666 1.00 0.00 O ATOM 412 CB CYS A 29 12.443 2.042 -19.217 1.00 0.00 C ATOM 413 SG CYS A 29 12.144 3.823 -19.291 1.00 0.00 S ATOM 0 H CYS A 29 13.748 2.905 -21.332 1.00 0.00 H new ATOM 0 HA CYS A 29 12.719 0.282 -20.427 1.00 0.00 H new ATOM 0 HB2 CYS A 29 11.646 1.577 -18.636 1.00 0.00 H new ATOM 0 HB3 CYS A 29 13.374 1.866 -18.679 1.00 0.00 H new ATOM 0 HG CYS A 29 12.920 4.356 -20.187 1.00 0.00 H new ATOM 419 N GLN A 30 10.562 0.324 -21.683 1.00 0.00 N ATOM 420 CA GLN A 30 9.246 0.266 -22.368 1.00 0.00 C ATOM 421 C GLN A 30 8.082 0.373 -21.356 1.00 0.00 C ATOM 422 O GLN A 30 7.176 1.201 -21.530 1.00 0.00 O ATOM 423 CB GLN A 30 9.137 -1.039 -23.199 1.00 0.00 C ATOM 424 CG GLN A 30 10.105 -1.093 -24.392 1.00 0.00 C ATOM 425 CD GLN A 30 10.074 -2.416 -25.156 1.00 0.00 C ATOM 426 OE1 GLN A 30 10.830 -3.337 -24.861 1.00 0.00 O ATOM 427 NE2 GLN A 30 9.185 -2.530 -26.123 1.00 0.00 N ATOM 0 H GLN A 30 10.955 -0.595 -21.480 1.00 0.00 H new ATOM 0 HA GLN A 30 9.172 1.119 -23.043 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.329 -1.892 -22.548 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.116 -1.142 -23.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.864 -0.282 -25.079 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.119 -0.916 -24.033 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.570 -1.747 -26.345 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.112 -3.401 -26.649 1.00 0.00 H new ATOM 436 N THR A 31 8.106 -0.481 -20.302 1.00 0.00 N ATOM 437 CA THR A 31 7.136 -0.402 -19.180 1.00 0.00 C ATOM 438 C THR A 31 7.533 0.708 -18.205 1.00 0.00 C ATOM 439 O THR A 31 8.063 0.454 -17.114 1.00 0.00 O ATOM 440 CB THR A 31 6.946 -1.768 -18.413 1.00 0.00 C ATOM 441 OG1 THR A 31 8.164 -2.529 -18.408 1.00 0.00 O ATOM 442 CG2 THR A 31 5.803 -2.592 -19.009 1.00 0.00 C ATOM 0 H THR A 31 8.788 -1.234 -20.206 1.00 0.00 H new ATOM 0 HA THR A 31 6.171 -0.167 -19.628 1.00 0.00 H new ATOM 0 HB THR A 31 6.684 -1.528 -17.382 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.022 -3.370 -17.926 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.701 -3.526 -18.456 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.873 -2.027 -18.942 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.019 -2.811 -20.055 1.00 0.00 H new ATOM 450 N ASP A 32 7.286 1.944 -18.646 1.00 0.00 N ATOM 451 CA ASP A 32 7.516 3.144 -17.850 1.00 0.00 C ATOM 452 C ASP A 32 6.887 4.379 -18.541 1.00 0.00 C ATOM 453 O ASP A 32 6.559 4.347 -19.737 1.00 0.00 O ATOM 454 CB ASP A 32 9.048 3.360 -17.613 1.00 0.00 C ATOM 455 CG ASP A 32 9.384 4.550 -16.693 1.00 0.00 C ATOM 456 OD1 ASP A 32 8.756 4.668 -15.626 1.00 0.00 O ATOM 457 OD2 ASP A 32 10.271 5.353 -17.028 1.00 0.00 O ATOM 0 H ASP A 32 6.917 2.138 -19.577 1.00 0.00 H new ATOM 0 HA ASP A 32 7.037 3.014 -16.880 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.469 2.452 -17.182 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.535 3.511 -18.576 1.00 0.00 H new ATOM 462 N VAL A 33 6.741 5.469 -17.771 1.00 0.00 N ATOM 463 CA VAL A 33 6.286 6.786 -18.266 1.00 0.00 C ATOM 464 C VAL A 33 7.499 7.680 -18.692 1.00 0.00 C ATOM 465 O VAL A 33 7.401 8.910 -18.673 1.00 0.00 O ATOM 466 CB VAL A 33 5.421 7.498 -17.154 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.115 6.702 -16.877 1.00 0.00 C ATOM 468 CG2 VAL A 33 6.231 7.696 -15.844 1.00 0.00 C ATOM 0 H VAL A 33 6.938 5.464 -16.770 1.00 0.00 H new ATOM 0 HA VAL A 33 5.669 6.634 -19.152 1.00 0.00 H new ATOM 0 HB VAL A 33 5.150 8.485 -17.529 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.535 7.211 -16.107 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.527 6.638 -17.792 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.366 5.697 -16.537 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.605 8.189 -15.100 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.551 6.726 -15.464 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.107 8.313 -16.047 1.00 0.00 H new ATOM 478 N GLN A 34 8.621 7.017 -19.104 1.00 0.00 N ATOM 479 CA GLN A 34 9.954 7.621 -19.460 1.00 0.00 C ATOM 480 C GLN A 34 10.527 8.562 -18.355 1.00 0.00 C ATOM 481 O GLN A 34 11.396 9.411 -18.610 1.00 0.00 O ATOM 482 CB GLN A 34 9.955 8.282 -20.883 1.00 0.00 C ATOM 483 CG GLN A 34 9.285 9.669 -21.012 1.00 0.00 C ATOM 484 CD GLN A 34 9.275 10.202 -22.451 1.00 0.00 C ATOM 485 OE1 GLN A 34 10.323 10.905 -22.839 1.00 0.00 O flip ATOM 486 NE2 GLN A 34 8.332 9.980 -23.207 1.00 0.00 N flip ATOM 0 H GLN A 34 8.627 6.002 -19.203 1.00 0.00 H new ATOM 0 HA GLN A 34 10.649 6.783 -19.511 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.990 8.373 -21.214 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.459 7.600 -21.574 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.260 9.606 -20.647 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.808 10.379 -20.372 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.535 9.434 -22.881 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.347 10.342 -24.160 1.00 0.00 H new ATOM 495 N ASP A 35 10.071 8.338 -17.111 1.00 0.00 N ATOM 496 CA ASP A 35 10.496 9.100 -15.922 1.00 0.00 C ATOM 497 C ASP A 35 11.205 8.146 -14.928 1.00 0.00 C ATOM 498 O ASP A 35 10.584 7.207 -14.418 1.00 0.00 O ATOM 499 CB ASP A 35 9.266 9.781 -15.260 1.00 0.00 C ATOM 500 CG ASP A 35 9.652 10.753 -14.131 1.00 0.00 C ATOM 501 OD1 ASP A 35 9.749 10.332 -12.960 1.00 0.00 O ATOM 502 OD2 ASP A 35 9.866 11.952 -14.411 1.00 0.00 O ATOM 0 H ASP A 35 9.387 7.612 -16.899 1.00 0.00 H new ATOM 0 HA ASP A 35 11.196 9.882 -16.216 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.704 10.322 -16.021 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.604 9.013 -14.860 1.00 0.00 H new ATOM 507 N ARG A 36 12.513 8.401 -14.689 1.00 0.00 N ATOM 508 CA ARG A 36 13.426 7.632 -13.782 1.00 0.00 C ATOM 509 C ARG A 36 13.478 6.082 -14.008 1.00 0.00 C ATOM 510 O ARG A 36 14.086 5.360 -13.199 1.00 0.00 O ATOM 511 CB ARG A 36 13.222 7.996 -12.264 1.00 0.00 C ATOM 512 CG ARG A 36 11.839 7.681 -11.652 1.00 0.00 C ATOM 513 CD ARG A 36 11.752 8.030 -10.152 1.00 0.00 C ATOM 514 NE ARG A 36 12.290 9.378 -9.857 1.00 0.00 N ATOM 515 CZ ARG A 36 11.601 10.503 -9.808 1.00 0.00 C ATOM 516 NH1 ARG A 36 10.321 10.535 -10.054 1.00 0.00 N ATOM 517 NH2 ARG A 36 12.221 11.607 -9.523 1.00 0.00 N ATOM 0 H ARG A 36 12.991 9.182 -15.139 1.00 0.00 H new ATOM 0 HA ARG A 36 14.416 7.975 -14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.979 7.468 -11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.413 9.062 -12.142 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.073 8.236 -12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.621 6.622 -11.787 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.712 7.977 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.303 7.287 -9.576 1.00 0.00 H new ATOM 0 HE ARG A 36 13.291 9.444 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.826 9.676 -10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.815 11.419 -10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.225 11.596 -9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.705 12.486 -9.481 1.00 0.00 H new ATOM 531 N GLY A 37 12.889 5.582 -15.122 1.00 0.00 N ATOM 532 CA GLY A 37 13.080 4.193 -15.568 1.00 0.00 C ATOM 533 C GLY A 37 12.263 3.132 -14.799 1.00 0.00 C ATOM 534 O GLY A 37 12.304 3.085 -13.569 1.00 0.00 O ATOM 0 H GLY A 37 12.276 6.129 -15.726 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.822 4.130 -16.625 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.138 3.944 -15.483 1.00 0.00 H new ATOM 538 N SER A 38 11.516 2.290 -15.555 1.00 0.00 N ATOM 539 CA SER A 38 10.851 1.038 -15.063 1.00 0.00 C ATOM 540 C SER A 38 9.982 1.225 -13.780 1.00 0.00 C ATOM 541 O SER A 38 9.870 0.307 -12.950 1.00 0.00 O ATOM 542 CB SER A 38 11.911 -0.094 -14.879 1.00 0.00 C ATOM 543 OG SER A 38 12.882 0.203 -13.871 1.00 0.00 O ATOM 0 H SER A 38 11.350 2.458 -16.547 1.00 0.00 H new ATOM 0 HA SER A 38 10.138 0.749 -15.835 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.401 -1.022 -14.621 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.421 -0.263 -15.827 1.00 0.00 H new ATOM 0 HG SER A 38 13.517 -0.540 -13.799 1.00 0.00 H new ATOM 549 N HIS A 39 9.338 2.401 -13.652 1.00 0.00 N ATOM 550 CA HIS A 39 8.521 2.762 -12.473 1.00 0.00 C ATOM 551 C HIS A 39 7.109 2.114 -12.542 1.00 0.00 C ATOM 552 O HIS A 39 6.175 2.692 -13.115 1.00 0.00 O ATOM 553 CB HIS A 39 8.427 4.311 -12.374 1.00 0.00 C ATOM 554 CG HIS A 39 7.707 4.829 -11.159 1.00 0.00 C ATOM 555 ND1 HIS A 39 6.338 4.969 -11.092 1.00 0.00 N ATOM 556 CD2 HIS A 39 8.177 5.245 -9.964 1.00 0.00 C ATOM 557 CE1 HIS A 39 6.001 5.451 -9.916 1.00 0.00 C ATOM 558 NE2 HIS A 39 7.097 5.627 -9.210 1.00 0.00 N ATOM 0 H HIS A 39 9.369 3.131 -14.364 1.00 0.00 H new ATOM 0 HA HIS A 39 9.002 2.375 -11.575 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.436 4.722 -12.382 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.923 4.687 -13.264 1.00 0.00 H new ATOM 0 HD1 HIS A 39 5.686 4.735 -11.840 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.212 5.272 -9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.995 5.666 -9.586 1.00 0.00 H new ATOM 567 N THR A 40 6.972 0.886 -11.986 1.00 0.00 N ATOM 568 CA THR A 40 5.673 0.152 -11.944 1.00 0.00 C ATOM 569 C THR A 40 5.416 -0.469 -10.543 1.00 0.00 C ATOM 570 O THR A 40 6.119 -1.389 -10.116 1.00 0.00 O ATOM 571 CB THR A 40 5.535 -0.962 -13.090 1.00 0.00 C ATOM 572 OG1 THR A 40 5.255 -2.270 -12.553 1.00 0.00 O ATOM 573 CG2 THR A 40 6.776 -1.061 -14.005 1.00 0.00 C ATOM 0 H THR A 40 7.745 0.377 -11.558 1.00 0.00 H new ATOM 0 HA THR A 40 4.905 0.900 -12.141 1.00 0.00 H new ATOM 0 HB THR A 40 4.690 -0.625 -13.691 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.178 -2.915 -13.287 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.613 -1.834 -14.756 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.941 -0.103 -14.499 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.650 -1.316 -13.406 1.00 0.00 H new ATOM 581 N VAL A 41 4.419 0.072 -9.822 1.00 0.00 N ATOM 582 CA VAL A 41 3.887 -0.524 -8.574 1.00 0.00 C ATOM 583 C VAL A 41 2.348 -0.641 -8.697 1.00 0.00 C ATOM 584 O VAL A 41 1.670 0.367 -8.900 1.00 0.00 O ATOM 585 CB VAL A 41 4.222 0.328 -7.284 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.742 -0.404 -5.996 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.725 0.697 -7.189 1.00 0.00 C ATOM 0 H VAL A 41 3.954 0.940 -10.086 1.00 0.00 H new ATOM 0 HA VAL A 41 4.363 -1.497 -8.455 1.00 0.00 H new ATOM 0 HB VAL A 41 3.675 1.267 -7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.983 0.201 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.664 -0.557 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.242 -1.369 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.900 1.281 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.322 -0.214 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.011 1.284 -8.062 1.00 0.00 H new ATOM 597 N CYS A 42 1.805 -1.863 -8.597 1.00 0.00 N ATOM 598 CA CYS A 42 0.341 -2.087 -8.550 1.00 0.00 C ATOM 599 C CYS A 42 -0.050 -2.713 -7.196 1.00 0.00 C ATOM 600 O CYS A 42 0.235 -3.881 -6.927 1.00 0.00 O ATOM 601 CB CYS A 42 -0.105 -2.984 -9.728 1.00 0.00 C ATOM 602 SG CYS A 42 0.262 -2.277 -11.353 1.00 0.00 S ATOM 0 H CYS A 42 2.356 -2.720 -8.546 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.171 -1.129 -8.647 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.387 -3.953 -9.643 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.178 -3.163 -9.652 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.141 -3.092 -12.282 1.00 0.00 H new ATOM 608 N ALA A 43 -0.721 -1.916 -6.358 1.00 0.00 N ATOM 609 CA ALA A 43 -1.157 -2.310 -5.005 1.00 0.00 C ATOM 610 C ALA A 43 -2.629 -1.919 -4.835 1.00 0.00 C ATOM 611 O ALA A 43 -3.094 -0.959 -5.458 1.00 0.00 O ATOM 612 CB ALA A 43 -0.280 -1.633 -3.937 1.00 0.00 C ATOM 0 H ALA A 43 -0.983 -0.961 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.051 -3.387 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.616 -1.935 -2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.759 -1.933 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.360 -0.550 -4.033 1.00 0.00 H new ATOM 618 N GLU A 44 -3.373 -2.661 -4.016 1.00 0.00 N ATOM 619 CA GLU A 44 -4.814 -2.421 -3.850 1.00 0.00 C ATOM 620 C GLU A 44 -5.122 -2.030 -2.404 1.00 0.00 C ATOM 621 O GLU A 44 -5.018 -2.853 -1.486 1.00 0.00 O ATOM 622 CB GLU A 44 -5.619 -3.666 -4.278 1.00 0.00 C ATOM 623 CG GLU A 44 -7.048 -3.352 -4.678 1.00 0.00 C ATOM 624 CD GLU A 44 -7.806 -4.576 -5.215 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.333 -5.369 -4.408 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.865 -4.752 -6.452 1.00 0.00 O ATOM 0 H GLU A 44 -3.008 -3.432 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.112 -1.593 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.113 -4.147 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.629 -4.383 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.581 -2.952 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.043 -2.572 -5.440 1.00 0.00 H new ATOM 633 N MET A 45 -5.470 -0.754 -2.214 1.00 0.00 N ATOM 634 CA MET A 45 -5.840 -0.216 -0.895 1.00 0.00 C ATOM 635 C MET A 45 -7.334 -0.483 -0.632 1.00 0.00 C ATOM 636 O MET A 45 -8.172 -0.221 -1.496 1.00 0.00 O ATOM 637 CB MET A 45 -5.524 1.310 -0.807 1.00 0.00 C ATOM 638 CG MET A 45 -4.134 1.682 -1.364 1.00 0.00 C ATOM 639 SD MET A 45 -2.793 0.704 -0.643 1.00 0.00 S ATOM 640 CE MET A 45 -2.894 1.134 1.095 1.00 0.00 C ATOM 0 H MET A 45 -5.504 -0.065 -2.965 1.00 0.00 H new ATOM 0 HA MET A 45 -5.249 -0.718 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.287 1.863 -1.355 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.587 1.627 0.234 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.134 1.545 -2.445 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.946 2.739 -1.177 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.195 0.520 1.663 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.642 2.186 1.225 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.907 0.957 1.455 1.00 0.00 H new ATOM 650 N THR A 46 -7.655 -1.019 0.555 1.00 0.00 N ATOM 651 CA THR A 46 -9.059 -1.216 0.988 1.00 0.00 C ATOM 652 C THR A 46 -9.618 0.099 1.554 1.00 0.00 C ATOM 653 O THR A 46 -8.852 0.935 2.055 1.00 0.00 O ATOM 654 CB THR A 46 -9.191 -2.351 2.067 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.549 -2.473 2.528 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.273 -2.113 3.269 1.00 0.00 C ATOM 0 H THR A 46 -6.963 -1.327 1.239 1.00 0.00 H new ATOM 0 HA THR A 46 -9.632 -1.522 0.113 1.00 0.00 H new ATOM 0 HB THR A 46 -8.888 -3.277 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.604 -3.187 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.398 -2.922 3.988 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.236 -2.082 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.530 -1.165 3.741 1.00 0.00 H new ATOM 664 N GLU A 47 -10.951 0.260 1.478 1.00 0.00 N ATOM 665 CA GLU A 47 -11.675 1.499 1.877 1.00 0.00 C ATOM 666 C GLU A 47 -11.262 2.021 3.279 1.00 0.00 C ATOM 667 O GLU A 47 -11.304 3.216 3.530 1.00 0.00 O ATOM 668 CB GLU A 47 -13.198 1.250 1.833 1.00 0.00 C ATOM 669 CG GLU A 47 -14.064 2.497 2.078 1.00 0.00 C ATOM 670 CD GLU A 47 -15.561 2.176 2.091 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.195 2.189 1.015 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.113 1.895 3.174 1.00 0.00 O ATOM 0 H GLU A 47 -11.572 -0.472 1.134 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.399 2.273 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.455 0.832 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.450 0.497 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.784 2.949 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.860 3.235 1.302 1.00 0.00 H new ATOM 679 N GLU A 48 -10.869 1.088 4.162 1.00 0.00 N ATOM 680 CA GLU A 48 -10.352 1.379 5.526 1.00 0.00 C ATOM 681 C GLU A 48 -9.230 2.465 5.515 1.00 0.00 C ATOM 682 O GLU A 48 -9.290 3.436 6.275 1.00 0.00 O ATOM 683 CB GLU A 48 -9.808 0.063 6.129 1.00 0.00 C ATOM 684 CG GLU A 48 -10.829 -1.092 6.154 1.00 0.00 C ATOM 685 CD GLU A 48 -10.229 -2.427 6.611 1.00 0.00 C ATOM 686 OE1 GLU A 48 -9.811 -2.528 7.785 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.158 -3.376 5.795 1.00 0.00 O ATOM 0 H GLU A 48 -10.899 0.090 3.952 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.168 1.776 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.935 -0.252 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.470 0.256 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.651 -0.826 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.252 -1.215 5.157 1.00 0.00 H new ATOM 694 N PHE A 49 -8.238 2.296 4.614 1.00 0.00 N ATOM 695 CA PHE A 49 -7.139 3.275 4.428 1.00 0.00 C ATOM 696 C PHE A 49 -7.641 4.601 3.800 1.00 0.00 C ATOM 697 O PHE A 49 -7.202 5.673 4.199 1.00 0.00 O ATOM 698 CB PHE A 49 -5.996 2.676 3.557 1.00 0.00 C ATOM 699 CG PHE A 49 -4.888 3.686 3.201 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.060 4.218 4.194 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.707 4.136 1.887 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.090 5.155 3.883 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.739 5.075 1.583 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.930 5.583 2.581 1.00 0.00 C ATOM 0 H PHE A 49 -8.174 1.485 3.999 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.748 3.499 5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.550 1.835 4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.424 2.281 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.179 3.894 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.333 3.743 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.456 5.552 4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.615 5.412 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.173 6.315 2.342 1.00 0.00 H new ATOM 714 N LEU A 50 -8.537 4.511 2.805 1.00 0.00 N ATOM 715 CA LEU A 50 -9.022 5.702 2.051 1.00 0.00 C ATOM 716 C LEU A 50 -9.949 6.597 2.923 1.00 0.00 C ATOM 717 O LEU A 50 -10.004 7.820 2.737 1.00 0.00 O ATOM 718 CB LEU A 50 -9.728 5.283 0.727 1.00 0.00 C ATOM 719 CG LEU A 50 -8.826 4.635 -0.375 1.00 0.00 C ATOM 720 CD1 LEU A 50 -8.438 3.191 -0.047 1.00 0.00 C ATOM 721 CD2 LEU A 50 -9.499 4.729 -1.758 1.00 0.00 C ATOM 0 H LEU A 50 -8.947 3.630 2.496 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.147 6.297 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.523 4.579 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.204 6.166 0.301 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.898 5.207 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.813 2.792 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.886 3.167 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.339 2.584 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.854 4.272 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.455 4.205 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.665 5.776 -2.011 1.00 0.00 H new ATOM 733 N LEU A 51 -10.657 5.968 3.879 1.00 0.00 N ATOM 734 CA LEU A 51 -11.445 6.671 4.911 1.00 0.00 C ATOM 735 C LEU A 51 -10.514 7.249 6.005 1.00 0.00 C ATOM 736 O LEU A 51 -10.800 8.302 6.568 1.00 0.00 O ATOM 737 CB LEU A 51 -12.518 5.730 5.526 1.00 0.00 C ATOM 738 CG LEU A 51 -13.696 5.310 4.587 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.697 4.396 5.327 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.405 6.546 3.987 1.00 0.00 C ATOM 0 H LEU A 51 -10.699 4.952 3.959 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.967 7.503 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.020 4.825 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.939 6.220 6.404 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.273 4.740 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.506 4.119 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.185 3.496 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.108 4.927 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.219 6.220 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.806 7.162 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.690 7.129 3.406 1.00 0.00 H new ATOM 752 N PHE A 52 -9.399 6.549 6.286 1.00 0.00 N ATOM 753 CA PHE A 52 -8.328 7.056 7.179 1.00 0.00 C ATOM 754 C PHE A 52 -7.583 8.262 6.532 1.00 0.00 C ATOM 755 O PHE A 52 -7.130 9.174 7.237 1.00 0.00 O ATOM 756 CB PHE A 52 -7.345 5.899 7.518 1.00 0.00 C ATOM 757 CG PHE A 52 -6.139 6.310 8.367 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.286 6.620 9.721 1.00 0.00 C ATOM 759 CD2 PHE A 52 -4.860 6.410 7.803 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.197 7.009 10.481 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.777 6.796 8.566 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.947 7.099 9.904 1.00 0.00 C ATOM 0 H PHE A 52 -9.211 5.621 5.906 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.777 7.417 8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.893 5.118 8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.984 5.463 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.261 6.555 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.720 6.182 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.326 7.243 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.797 6.861 8.118 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.100 7.407 10.499 1.00 0.00 H new ATOM 772 N SER A 53 -7.477 8.256 5.186 1.00 0.00 N ATOM 773 CA SER A 53 -6.813 9.336 4.416 1.00 0.00 C ATOM 774 C SER A 53 -7.568 10.669 4.587 1.00 0.00 C ATOM 775 O SER A 53 -6.968 11.688 4.910 1.00 0.00 O ATOM 776 CB SER A 53 -6.720 8.972 2.909 1.00 0.00 C ATOM 777 OG SER A 53 -5.923 7.813 2.685 1.00 0.00 O ATOM 0 H SER A 53 -7.847 7.506 4.602 1.00 0.00 H new ATOM 0 HA SER A 53 -5.802 9.449 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.722 8.804 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.298 9.813 2.359 1.00 0.00 H new ATOM 0 HG SER A 53 -6.296 7.058 3.186 1.00 0.00 H new ATOM 783 N ARG A 54 -8.900 10.633 4.390 1.00 0.00 N ATOM 784 CA ARG A 54 -9.771 11.823 4.573 1.00 0.00 C ATOM 785 C ARG A 54 -9.950 12.199 6.070 1.00 0.00 C ATOM 786 O ARG A 54 -10.273 13.349 6.392 1.00 0.00 O ATOM 787 CB ARG A 54 -11.153 11.592 3.902 1.00 0.00 C ATOM 788 CG ARG A 54 -11.942 10.380 4.439 1.00 0.00 C ATOM 789 CD ARG A 54 -13.350 10.271 3.839 1.00 0.00 C ATOM 790 NE ARG A 54 -14.176 11.449 4.149 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.325 11.747 3.590 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.857 10.984 2.682 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.941 12.819 3.953 1.00 0.00 N ATOM 0 H ARG A 54 -9.403 9.793 4.103 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.274 12.663 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.759 12.489 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.003 11.463 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.388 9.467 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.019 10.455 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.275 10.156 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.839 9.375 4.222 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.825 12.090 4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.380 10.131 2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.751 11.238 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.535 13.424 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.835 13.063 3.527 1.00 0.00 H new ATOM 807 N ASP A 55 -9.743 11.215 6.968 1.00 0.00 N ATOM 808 CA ASP A 55 -9.859 11.399 8.431 1.00 0.00 C ATOM 809 C ASP A 55 -8.628 12.139 9.022 1.00 0.00 C ATOM 810 O ASP A 55 -8.746 12.848 10.029 1.00 0.00 O ATOM 811 CB ASP A 55 -10.052 10.012 9.103 1.00 0.00 C ATOM 812 CG ASP A 55 -10.224 10.079 10.627 1.00 0.00 C ATOM 813 OD1 ASP A 55 -11.221 10.670 11.093 1.00 0.00 O ATOM 814 OD2 ASP A 55 -9.383 9.519 11.361 1.00 0.00 O ATOM 0 H ASP A 55 -9.489 10.265 6.698 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.726 12.027 8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.927 9.527 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.192 9.384 8.871 1.00 0.00 H new ATOM 819 N ARG A 56 -7.448 11.987 8.382 1.00 0.00 N ATOM 820 CA ARG A 56 -6.176 12.556 8.902 1.00 0.00 C ATOM 821 C ARG A 56 -5.400 13.361 7.820 1.00 0.00 C ATOM 822 O ARG A 56 -5.136 14.553 8.009 1.00 0.00 O ATOM 823 CB ARG A 56 -5.287 11.417 9.479 1.00 0.00 C ATOM 824 CG ARG A 56 -4.029 11.890 10.256 1.00 0.00 C ATOM 825 CD ARG A 56 -4.379 12.770 11.473 1.00 0.00 C ATOM 826 NE ARG A 56 -3.186 13.206 12.230 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.057 14.357 12.863 1.00 0.00 C ATOM 828 NH1 ARG A 56 -3.982 15.268 12.807 1.00 0.00 N ATOM 829 NH2 ARG A 56 -1.985 14.601 13.539 1.00 0.00 N ATOM 0 H ARG A 56 -7.345 11.476 7.505 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.429 13.259 9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.896 10.804 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.967 10.776 8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.466 11.020 10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.380 12.450 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.929 13.648 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.042 12.216 12.137 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.395 12.562 12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.830 15.101 12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.860 16.150 13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.240 13.905 13.583 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.882 15.490 14.029 1.00 0.00 H new ATOM 843 N GLY A 57 -5.038 12.696 6.702 1.00 0.00 N ATOM 844 CA GLY A 57 -4.192 13.309 5.652 1.00 0.00 C ATOM 845 C GLY A 57 -4.936 14.313 4.750 1.00 0.00 C ATOM 846 O GLY A 57 -4.971 15.511 5.039 1.00 0.00 O ATOM 0 H GLY A 57 -5.317 11.736 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.353 13.817 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.774 12.518 5.029 1.00 0.00 H new ATOM 850 N ASN A 58 -5.536 13.808 3.652 1.00 0.00 N ATOM 851 CA ASN A 58 -6.281 14.635 2.663 1.00 0.00 C ATOM 852 C ASN A 58 -7.553 13.883 2.197 1.00 0.00 C ATOM 853 O ASN A 58 -7.532 12.653 2.035 1.00 0.00 O ATOM 854 CB ASN A 58 -5.359 14.977 1.452 1.00 0.00 C ATOM 855 CG ASN A 58 -5.907 16.064 0.498 1.00 0.00 C ATOM 856 OD1 ASN A 58 -7.104 16.212 0.293 1.00 0.00 O ATOM 857 ND2 ASN A 58 -5.022 16.839 -0.096 1.00 0.00 N ATOM 0 H ASN A 58 -5.521 12.815 3.420 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.589 15.569 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.391 15.304 1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.185 14.066 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.332 17.572 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.027 16.706 0.083 1.00 0.00 H new ATOM 864 N ASP A 59 -8.646 14.636 1.990 1.00 0.00 N ATOM 865 CA ASP A 59 -9.935 14.103 1.499 1.00 0.00 C ATOM 866 C ASP A 59 -9.826 13.590 0.032 1.00 0.00 C ATOM 867 O ASP A 59 -10.098 14.301 -0.935 1.00 0.00 O ATOM 868 CB ASP A 59 -11.073 15.146 1.709 1.00 0.00 C ATOM 869 CG ASP A 59 -10.675 16.575 1.296 1.00 0.00 C ATOM 870 OD1 ASP A 59 -10.042 17.280 2.113 1.00 0.00 O ATOM 871 OD2 ASP A 59 -10.989 17.000 0.171 1.00 0.00 O ATOM 0 H ASP A 59 -8.663 15.642 2.159 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.199 13.228 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.947 14.840 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.366 15.147 2.759 1.00 0.00 H new ATOM 876 N LEU A 60 -9.423 12.307 -0.077 1.00 0.00 N ATOM 877 CA LEU A 60 -9.170 11.593 -1.355 1.00 0.00 C ATOM 878 C LEU A 60 -10.462 11.402 -2.212 1.00 0.00 C ATOM 879 O LEU A 60 -10.388 11.050 -3.394 1.00 0.00 O ATOM 880 CB LEU A 60 -8.524 10.212 -1.009 1.00 0.00 C ATOM 881 CG LEU A 60 -7.984 9.347 -2.200 1.00 0.00 C ATOM 882 CD1 LEU A 60 -6.818 10.044 -2.931 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.567 7.944 -1.720 1.00 0.00 C ATOM 0 H LEU A 60 -9.259 11.720 0.741 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.499 12.196 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.698 10.390 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.264 9.620 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.800 9.236 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.472 9.412 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.158 11.000 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.999 10.213 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.196 7.365 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.781 8.035 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.428 7.438 -1.284 1.00 0.00 H new ATOM 895 N MET A 61 -11.640 11.663 -1.610 1.00 0.00 N ATOM 896 CA MET A 61 -12.961 11.410 -2.241 1.00 0.00 C ATOM 897 C MET A 61 -13.863 12.679 -2.246 1.00 0.00 C ATOM 898 O MET A 61 -15.084 12.602 -2.047 1.00 0.00 O ATOM 899 CB MET A 61 -13.637 10.214 -1.508 1.00 0.00 C ATOM 900 CG MET A 61 -13.794 10.396 0.012 1.00 0.00 C ATOM 901 SD MET A 61 -14.369 8.898 0.848 1.00 0.00 S ATOM 902 CE MET A 61 -13.015 7.757 0.528 1.00 0.00 C ATOM 0 H MET A 61 -11.707 12.056 -0.671 1.00 0.00 H new ATOM 0 HA MET A 61 -12.815 11.154 -3.290 1.00 0.00 H new ATOM 0 HB2 MET A 61 -14.622 10.049 -1.944 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.051 9.314 -1.694 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.837 10.698 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 61 -14.498 11.206 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.079 6.914 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.080 7.394 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.065 8.271 0.671 1.00 0.00 H new ATOM 912 N THR A 62 -13.250 13.847 -2.501 1.00 0.00 N ATOM 913 CA THR A 62 -13.993 15.119 -2.716 1.00 0.00 C ATOM 914 C THR A 62 -14.402 15.266 -4.208 1.00 0.00 C ATOM 915 O THR A 62 -13.740 14.697 -5.088 1.00 0.00 O ATOM 916 CB THR A 62 -13.150 16.375 -2.284 1.00 0.00 C ATOM 917 OG1 THR A 62 -13.946 17.574 -2.353 1.00 0.00 O ATOM 918 CG2 THR A 62 -11.886 16.577 -3.139 1.00 0.00 C ATOM 0 H THR A 62 -12.237 13.946 -2.565 1.00 0.00 H new ATOM 0 HA THR A 62 -14.885 15.074 -2.091 1.00 0.00 H new ATOM 0 HB THR A 62 -12.838 16.182 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.404 18.343 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.348 17.459 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.243 15.702 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.170 16.714 -4.182 1.00 0.00 H new ATOM 926 N PRO A 63 -15.528 16.001 -4.522 1.00 0.00 N ATOM 927 CA PRO A 63 -15.847 16.447 -5.922 1.00 0.00 C ATOM 928 C PRO A 63 -14.754 17.385 -6.541 1.00 0.00 C ATOM 929 O PRO A 63 -13.641 17.492 -6.006 1.00 0.00 O ATOM 930 CB PRO A 63 -17.207 17.189 -5.753 1.00 0.00 C ATOM 931 CG PRO A 63 -17.792 16.639 -4.485 1.00 0.00 C ATOM 932 CD PRO A 63 -16.611 16.390 -3.573 1.00 0.00 C ATOM 0 HA PRO A 63 -15.887 15.608 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.063 18.267 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.865 17.007 -6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -18.492 17.344 -4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.344 15.718 -4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.347 17.281 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.818 15.600 -2.852 1.00 0.00 H new ATOM 940 N ARG A 64 -15.101 18.057 -7.679 1.00 0.00 N ATOM 941 CA ARG A 64 -14.168 18.921 -8.477 1.00 0.00 C ATOM 942 C ARG A 64 -13.089 18.065 -9.229 1.00 0.00 C ATOM 943 O ARG A 64 -12.856 16.904 -8.862 1.00 0.00 O ATOM 944 CB ARG A 64 -13.497 20.022 -7.586 1.00 0.00 C ATOM 945 CG ARG A 64 -14.489 21.008 -6.919 1.00 0.00 C ATOM 946 CD ARG A 64 -13.781 22.032 -6.011 1.00 0.00 C ATOM 947 NE ARG A 64 -14.711 23.023 -5.433 1.00 0.00 N ATOM 948 CZ ARG A 64 -14.350 24.064 -4.703 1.00 0.00 C ATOM 949 NH1 ARG A 64 -13.095 24.313 -4.450 1.00 0.00 N ATOM 950 NH2 ARG A 64 -15.253 24.865 -4.239 1.00 0.00 N ATOM 0 H ARG A 64 -16.041 18.016 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.768 19.429 -9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.913 19.533 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.798 20.590 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.046 21.537 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.215 20.446 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.272 21.505 -5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.014 22.552 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.707 22.894 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.369 23.698 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.840 25.122 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.239 24.692 -4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.980 25.670 -3.675 1.00 0.00 H new ATOM 964 N PRO A 65 -12.429 18.605 -10.327 1.00 0.00 N ATOM 965 CA PRO A 65 -11.298 17.901 -10.998 1.00 0.00 C ATOM 966 C PRO A 65 -10.141 17.618 -10.005 1.00 0.00 C ATOM 967 O PRO A 65 -9.706 16.468 -9.843 1.00 0.00 O ATOM 968 CB PRO A 65 -10.841 18.871 -12.130 1.00 0.00 C ATOM 969 CG PRO A 65 -11.911 19.925 -12.255 1.00 0.00 C ATOM 970 CD PRO A 65 -12.754 19.894 -10.989 1.00 0.00 C ATOM 0 HA PRO A 65 -11.598 16.928 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.879 19.323 -11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.714 18.335 -13.071 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.462 20.909 -12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.532 19.735 -13.131 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.519 20.738 -10.341 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.817 19.958 -11.223 1.00 0.00 H new ATOM 978 N GLU A 66 -9.669 18.709 -9.372 1.00 0.00 N ATOM 979 CA GLU A 66 -8.704 18.701 -8.250 1.00 0.00 C ATOM 980 C GLU A 66 -7.265 18.254 -8.659 1.00 0.00 C ATOM 981 O GLU A 66 -7.070 17.443 -9.573 1.00 0.00 O ATOM 982 CB GLU A 66 -9.250 17.863 -7.046 1.00 0.00 C ATOM 983 CG GLU A 66 -8.450 17.982 -5.731 1.00 0.00 C ATOM 984 CD GLU A 66 -8.394 19.418 -5.174 1.00 0.00 C ATOM 985 OE1 GLU A 66 -9.287 19.798 -4.386 1.00 0.00 O ATOM 986 OE2 GLU A 66 -7.452 20.171 -5.523 1.00 0.00 O ATOM 0 H GLU A 66 -9.957 19.652 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.603 19.738 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.279 18.166 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.277 16.814 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.897 17.328 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.434 17.626 -5.900 1.00 0.00 H new ATOM 993 N PHE A 67 -6.257 18.809 -7.958 1.00 0.00 N ATOM 994 CA PHE A 67 -4.823 18.527 -8.196 1.00 0.00 C ATOM 995 C PHE A 67 -4.113 17.990 -6.920 1.00 0.00 C ATOM 996 O PHE A 67 -3.040 17.389 -7.028 1.00 0.00 O ATOM 997 CB PHE A 67 -4.115 19.815 -8.705 1.00 0.00 C ATOM 998 CG PHE A 67 -4.177 21.008 -7.739 1.00 0.00 C ATOM 999 CD1 PHE A 67 -5.264 21.885 -7.757 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -3.153 21.249 -6.813 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -5.323 22.957 -6.889 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -3.218 22.322 -5.945 1.00 0.00 C ATOM 1003 CZ PHE A 67 -4.302 23.176 -5.983 1.00 0.00 C ATOM 0 H PHE A 67 -6.415 19.474 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.757 17.746 -8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.069 19.583 -8.907 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.565 20.109 -9.653 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.069 21.722 -8.459 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.301 20.586 -6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.170 23.627 -6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.421 22.493 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.352 24.015 -5.305 1.00 0.00 H new ATOM 1013 N ASN A 68 -4.718 18.231 -5.724 1.00 0.00 N ATOM 1014 CA ASN A 68 -4.112 17.893 -4.396 1.00 0.00 C ATOM 1015 C ASN A 68 -3.668 16.413 -4.273 1.00 0.00 C ATOM 1016 O ASN A 68 -2.667 16.107 -3.615 1.00 0.00 O ATOM 1017 CB ASN A 68 -5.104 18.223 -3.248 1.00 0.00 C ATOM 1018 CG ASN A 68 -5.364 19.717 -3.061 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -4.513 20.556 -3.335 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -6.541 20.059 -2.574 1.00 0.00 N ATOM 0 H ASN A 68 -5.638 18.664 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.214 18.506 -4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.052 17.722 -3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.715 17.813 -2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.762 21.042 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.231 19.340 -2.355 1.00 0.00 H new ATOM 1027 N PHE A 69 -4.421 15.510 -4.912 1.00 0.00 N ATOM 1028 CA PHE A 69 -4.191 14.049 -4.834 1.00 0.00 C ATOM 1029 C PHE A 69 -4.355 13.372 -6.222 1.00 0.00 C ATOM 1030 O PHE A 69 -5.024 13.927 -7.109 1.00 0.00 O ATOM 1031 CB PHE A 69 -5.172 13.428 -3.793 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.657 13.767 -4.022 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -7.435 13.053 -4.945 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.274 14.805 -3.321 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -8.762 13.363 -5.153 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -8.604 15.109 -3.534 1.00 0.00 C ATOM 1037 CZ PHE A 69 -9.346 14.388 -4.449 1.00 0.00 C ATOM 0 H PHE A 69 -5.212 15.766 -5.502 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.164 13.873 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.055 12.344 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.886 13.767 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.986 12.245 -5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.704 15.377 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.342 12.800 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.066 15.914 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.386 14.630 -4.611 1.00 0.00 H new ATOM 1047 N PRO A 70 -3.719 12.173 -6.445 1.00 0.00 N ATOM 1048 CA PRO A 70 -4.036 11.307 -7.610 1.00 0.00 C ATOM 1049 C PRO A 70 -5.305 10.450 -7.356 1.00 0.00 C ATOM 1050 O PRO A 70 -5.862 10.461 -6.252 1.00 0.00 O ATOM 1051 CB PRO A 70 -2.770 10.425 -7.728 1.00 0.00 C ATOM 1052 CG PRO A 70 -2.307 10.259 -6.304 1.00 0.00 C ATOM 1053 CD PRO A 70 -2.625 11.578 -5.611 1.00 0.00 C ATOM 0 HA PRO A 70 -4.259 11.868 -8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.995 9.463 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.007 10.902 -8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.820 9.428 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.240 10.042 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.949 11.420 -4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.752 12.230 -5.574 1.00 0.00 H new ATOM 1061 N GLY A 71 -5.748 9.702 -8.382 1.00 0.00 N ATOM 1062 CA GLY A 71 -6.922 8.826 -8.252 1.00 0.00 C ATOM 1063 C GLY A 71 -6.636 7.532 -7.473 1.00 0.00 C ATOM 1064 O GLY A 71 -6.214 7.583 -6.308 1.00 0.00 O ATOM 0 H GLY A 71 -5.313 9.687 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.721 9.373 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.286 8.569 -9.247 1.00 0.00 H new ATOM 1068 N LEU A 72 -6.839 6.379 -8.144 1.00 0.00 N ATOM 1069 CA LEU A 72 -6.658 5.020 -7.572 1.00 0.00 C ATOM 1070 C LEU A 72 -7.515 4.805 -6.294 1.00 0.00 C ATOM 1071 O LEU A 72 -7.084 5.106 -5.171 1.00 0.00 O ATOM 1072 CB LEU A 72 -5.152 4.666 -7.328 1.00 0.00 C ATOM 1073 CG LEU A 72 -4.189 4.763 -8.570 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -4.864 4.251 -9.861 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -3.605 6.186 -8.756 1.00 0.00 C ATOM 0 H LEU A 72 -7.139 6.362 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.024 4.322 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.770 5.326 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.101 3.650 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.346 4.104 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.166 4.335 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.151 3.208 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.751 4.849 -10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.948 6.199 -9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.418 6.896 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.037 6.465 -7.868 1.00 0.00 H new ATOM 1087 N LYS A 73 -8.744 4.294 -6.493 1.00 0.00 N ATOM 1088 CA LYS A 73 -9.726 4.102 -5.403 1.00 0.00 C ATOM 1089 C LYS A 73 -9.749 2.633 -4.917 1.00 0.00 C ATOM 1090 O LYS A 73 -9.094 1.760 -5.505 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.149 4.629 -5.823 1.00 0.00 C ATOM 1092 CG LYS A 73 -11.577 4.401 -7.302 1.00 0.00 C ATOM 1093 CD LYS A 73 -11.775 2.921 -7.698 1.00 0.00 C ATOM 1094 CE LYS A 73 -12.910 2.227 -6.926 1.00 0.00 C ATOM 1095 NZ LYS A 73 -13.042 0.801 -7.307 1.00 0.00 N ATOM 0 H LYS A 73 -9.086 4.003 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.410 4.702 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.890 4.155 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.188 5.699 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.508 4.939 -7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.823 4.840 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.985 2.864 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.845 2.379 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.720 2.301 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.850 2.744 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.974 0.642 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.297 0.553 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.948 0.205 -6.460 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.522 2.384 -3.842 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.562 1.081 -3.148 1.00 0.00 C ATOM 1111 C ALA A 74 -11.041 -0.062 -4.075 1.00 0.00 C ATOM 1112 O ALA A 74 -12.177 -0.043 -4.569 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.435 1.183 -1.888 1.00 0.00 C ATOM 0 H ALA A 74 -11.139 3.083 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.544 0.830 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.459 0.218 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.018 1.934 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.448 1.470 -2.170 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.151 -1.039 -4.314 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.442 -2.187 -5.191 1.00 0.00 C ATOM 1121 C GLY A 75 -9.816 -2.093 -6.590 1.00 0.00 C ATOM 1122 O GLY A 75 -10.200 -2.850 -7.489 1.00 0.00 O ATOM 0 H GLY A 75 -9.215 -1.057 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.086 -3.097 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.523 -2.283 -5.296 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.845 -1.174 -6.785 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.061 -1.073 -8.043 1.00 0.00 C ATOM 1128 C ASP A 76 -6.535 -1.211 -7.785 1.00 0.00 C ATOM 1129 O ASP A 76 -5.894 -0.276 -7.281 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.377 0.272 -8.764 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.717 0.265 -9.531 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.772 0.004 -8.916 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -9.719 0.508 -10.761 1.00 0.00 O ATOM 0 H ASP A 76 -8.581 -0.484 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.356 -1.901 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.395 1.074 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.570 0.498 -9.461 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.957 -2.394 -8.107 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.479 -2.578 -8.143 1.00 0.00 C ATOM 1140 C ARG A 77 -3.895 -2.184 -9.525 1.00 0.00 C ATOM 1141 O ARG A 77 -3.807 -3.003 -10.441 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.025 -4.023 -7.714 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.981 -5.218 -8.001 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.343 -5.435 -9.484 1.00 0.00 C ATOM 1145 NE ARG A 77 -5.978 -6.738 -9.725 1.00 0.00 N ATOM 1146 CZ ARG A 77 -7.229 -7.049 -9.473 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -8.038 -6.234 -8.877 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -7.651 -8.219 -9.794 1.00 0.00 N ATOM 0 H ARG A 77 -6.486 -3.233 -8.345 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.068 -1.899 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.076 -4.232 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.830 -4.005 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.520 -6.129 -7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.902 -5.067 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.015 -4.641 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.440 -5.357 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.392 -7.470 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.711 -5.313 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.003 -6.512 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.018 -8.886 -10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.619 -8.481 -9.607 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.484 -0.917 -9.656 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.919 -0.373 -10.909 1.00 0.00 C ATOM 1164 C TRP A 78 -2.255 0.982 -10.621 1.00 0.00 C ATOM 1165 O TRP A 78 -2.915 1.879 -10.112 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.031 -0.215 -11.989 1.00 0.00 C ATOM 1167 CG TRP A 78 -3.548 0.364 -13.302 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.841 -0.282 -14.274 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.743 1.710 -13.777 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -2.575 0.575 -15.310 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.117 1.804 -15.030 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -4.380 2.841 -13.258 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.119 2.977 -15.781 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -4.377 4.011 -14.000 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.744 4.071 -15.248 1.00 0.00 C ATOM 0 H TRP A 78 -3.531 -0.235 -8.899 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.171 -1.066 -11.294 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.478 -1.191 -12.178 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.819 0.425 -11.591 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.536 -1.317 -14.233 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.056 0.337 -16.155 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.866 2.803 -12.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -2.644 3.021 -16.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -4.870 4.889 -13.610 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -3.749 4.999 -15.800 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.939 1.095 -10.909 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.155 2.360 -10.778 1.00 0.00 C ATOM 1188 C CYS A 79 -0.273 3.035 -9.376 1.00 0.00 C ATOM 1189 O CYS A 79 -0.066 4.252 -9.240 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.535 3.346 -11.913 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.143 2.752 -13.576 1.00 0.00 S ATOM 0 H CYS A 79 -0.380 0.309 -11.242 1.00 0.00 H new ATOM 0 HA CYS A 79 0.895 2.085 -10.876 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.604 3.553 -11.856 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.018 4.291 -11.746 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.242 2.437 -14.195 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.584 2.228 -8.339 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.630 2.698 -6.942 1.00 0.00 C ATOM 1199 C LEU A 80 0.815 2.937 -6.469 1.00 0.00 C ATOM 1200 O LEU A 80 1.551 1.974 -6.241 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.373 1.658 -6.020 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.735 2.081 -4.539 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.524 2.065 -3.563 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.457 3.443 -4.516 1.00 0.00 C ATOM 0 H LEU A 80 -0.809 1.239 -8.448 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.194 3.629 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.300 1.376 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.754 0.762 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.416 1.315 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.854 2.367 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.107 1.059 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.239 2.758 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.695 3.711 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.810 4.205 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.378 3.377 -5.096 1.00 0.00 H new ATOM 1216 N CYS A 81 1.215 4.219 -6.371 1.00 0.00 N ATOM 1217 CA CYS A 81 2.543 4.605 -5.846 1.00 0.00 C ATOM 1218 C CYS A 81 2.759 4.020 -4.438 1.00 0.00 C ATOM 1219 O CYS A 81 1.972 4.298 -3.527 1.00 0.00 O ATOM 1220 CB CYS A 81 2.697 6.140 -5.806 1.00 0.00 C ATOM 1221 SG CYS A 81 4.289 6.705 -5.159 1.00 0.00 S ATOM 0 H CYS A 81 0.635 5.011 -6.650 1.00 0.00 H new ATOM 0 HA CYS A 81 3.298 4.199 -6.518 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.566 6.534 -6.814 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.899 6.559 -5.194 1.00 0.00 H new ATOM 0 HG CYS A 81 4.324 8.005 -5.167 1.00 0.00 H new ATOM 1227 N ALA A 82 3.814 3.197 -4.286 1.00 0.00 N ATOM 1228 CA ALA A 82 4.138 2.495 -3.021 1.00 0.00 C ATOM 1229 C ALA A 82 4.323 3.462 -1.815 1.00 0.00 C ATOM 1230 O ALA A 82 4.214 3.030 -0.675 1.00 0.00 O ATOM 1231 CB ALA A 82 5.363 1.586 -3.212 1.00 0.00 C ATOM 0 H ALA A 82 4.472 2.997 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 82 3.278 1.874 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.588 1.078 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.150 0.846 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.220 2.189 -3.513 1.00 0.00 H new ATOM 1237 N SER A 83 4.643 4.752 -2.082 1.00 0.00 N ATOM 1238 CA SER A 83 4.650 5.824 -1.039 1.00 0.00 C ATOM 1239 C SER A 83 3.298 5.914 -0.274 1.00 0.00 C ATOM 1240 O SER A 83 3.286 6.116 0.938 1.00 0.00 O ATOM 1241 CB SER A 83 4.962 7.202 -1.676 1.00 0.00 C ATOM 1242 OG SER A 83 6.241 7.219 -2.286 1.00 0.00 O ATOM 0 H SER A 83 4.901 5.082 -3.012 1.00 0.00 H new ATOM 0 HA SER A 83 5.429 5.557 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.201 7.440 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.913 7.976 -0.910 1.00 0.00 H new ATOM 0 HG SER A 83 6.440 6.333 -2.654 1.00 0.00 H new ATOM 1248 N ARG A 84 2.173 5.764 -1.011 1.00 0.00 N ATOM 1249 CA ARG A 84 0.793 5.813 -0.444 1.00 0.00 C ATOM 1250 C ARG A 84 0.521 4.612 0.496 1.00 0.00 C ATOM 1251 O ARG A 84 -0.020 4.773 1.593 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.262 5.840 -1.593 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.106 7.020 -2.587 1.00 0.00 C ATOM 1254 CD ARG A 84 -1.138 6.986 -3.738 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.532 7.135 -3.270 1.00 0.00 N ATOM 1256 CZ ARG A 84 -3.605 7.112 -4.043 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -3.514 6.952 -5.329 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -4.774 7.258 -3.519 1.00 0.00 N ATOM 0 H ARG A 84 2.190 5.605 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 84 0.709 6.727 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.199 4.904 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.258 5.883 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.207 7.960 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.899 7.002 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.911 7.784 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.041 6.044 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.679 7.266 -2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.599 6.840 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.358 6.938 -5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.869 7.391 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.604 7.241 -4.111 1.00 0.00 H new ATOM 1272 N TRP A 85 0.926 3.413 0.051 1.00 0.00 N ATOM 1273 CA TRP A 85 0.757 2.163 0.823 1.00 0.00 C ATOM 1274 C TRP A 85 1.711 2.137 2.064 1.00 0.00 C ATOM 1275 O TRP A 85 1.245 1.927 3.189 1.00 0.00 O ATOM 1276 CB TRP A 85 0.918 0.930 -0.133 1.00 0.00 C ATOM 1277 CG TRP A 85 1.481 -0.304 0.518 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.608 -0.945 0.140 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.971 -1.026 1.659 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.881 -1.963 1.003 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.883 -2.049 1.928 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.139 -0.891 2.484 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.724 -2.930 2.984 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.304 -1.767 3.521 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.625 -2.777 3.762 1.00 0.00 C ATOM 0 H TRP A 85 1.380 3.278 -0.852 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.250 2.111 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.056 0.687 -0.557 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.565 1.214 -0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.206 -0.688 -0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.703 -2.566 0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.860 -0.106 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.447 -3.708 3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.168 -1.675 4.163 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.466 -3.454 4.588 1.00 0.00 H new ATOM 1296 N GLN A 86 3.029 2.335 1.842 1.00 0.00 N ATOM 1297 CA GLN A 86 4.038 2.435 2.936 1.00 0.00 C ATOM 1298 C GLN A 86 3.607 3.440 4.049 1.00 0.00 C ATOM 1299 O GLN A 86 3.737 3.144 5.237 1.00 0.00 O ATOM 1300 CB GLN A 86 5.425 2.845 2.367 1.00 0.00 C ATOM 1301 CG GLN A 86 6.633 2.763 3.350 1.00 0.00 C ATOM 1302 CD GLN A 86 6.678 1.495 4.229 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.277 0.486 3.879 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.068 1.546 5.394 1.00 0.00 N ATOM 0 H GLN A 86 3.428 2.430 0.908 1.00 0.00 H new ATOM 0 HA GLN A 86 4.109 1.447 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.642 2.211 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.354 3.869 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.556 2.819 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.611 3.637 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.573 2.393 5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.091 0.739 6.017 1.00 0.00 H new ATOM 1313 N GLU A 87 3.061 4.608 3.634 1.00 0.00 N ATOM 1314 CA GLU A 87 2.595 5.678 4.565 1.00 0.00 C ATOM 1315 C GLU A 87 1.565 5.162 5.605 1.00 0.00 C ATOM 1316 O GLU A 87 1.540 5.639 6.743 1.00 0.00 O ATOM 1317 CB GLU A 87 2.003 6.869 3.761 1.00 0.00 C ATOM 1318 CG GLU A 87 1.481 8.046 4.618 1.00 0.00 C ATOM 1319 CD GLU A 87 1.032 9.260 3.786 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.114 9.113 2.952 1.00 0.00 O ATOM 1321 OE2 GLU A 87 1.606 10.361 3.951 1.00 0.00 O ATOM 0 H GLU A 87 2.929 4.840 2.650 1.00 0.00 H new ATOM 0 HA GLU A 87 3.467 6.015 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.769 7.246 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.185 6.499 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.643 7.701 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.265 8.358 5.308 1.00 0.00 H new ATOM 1328 N ALA A 88 0.740 4.178 5.203 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.223 3.512 6.106 1.00 0.00 C ATOM 1330 C ALA A 88 0.487 2.843 7.317 1.00 0.00 C ATOM 1331 O ALA A 88 0.021 2.953 8.453 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.046 2.475 5.327 1.00 0.00 C ATOM 0 H ALA A 88 0.720 3.822 4.247 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.891 4.277 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.752 1.990 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.592 2.972 4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.378 1.726 4.901 1.00 0.00 H new ATOM 1338 N PHE A 89 1.619 2.162 7.045 1.00 0.00 N ATOM 1339 CA PHE A 89 2.465 1.532 8.087 1.00 0.00 C ATOM 1340 C PHE A 89 3.184 2.595 8.940 1.00 0.00 C ATOM 1341 O PHE A 89 3.287 2.461 10.162 1.00 0.00 O ATOM 1342 CB PHE A 89 3.503 0.588 7.428 1.00 0.00 C ATOM 1343 CG PHE A 89 4.389 -0.171 8.422 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.917 -1.310 9.076 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.681 0.265 8.719 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.710 -1.987 9.981 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.472 -0.412 9.628 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.986 -1.537 10.261 1.00 0.00 C ATOM 0 H PHE A 89 1.975 2.032 6.098 1.00 0.00 H new ATOM 0 HA PHE A 89 1.817 0.953 8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.975 -0.134 6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.140 1.174 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.918 -1.667 8.871 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.069 1.146 8.230 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.332 -2.871 10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.470 -0.060 9.843 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.602 -2.065 10.974 1.00 0.00 H new ATOM 1358 N GLU A 90 3.679 3.643 8.267 1.00 0.00 N ATOM 1359 CA GLU A 90 4.370 4.780 8.919 1.00 0.00 C ATOM 1360 C GLU A 90 3.401 5.582 9.837 1.00 0.00 C ATOM 1361 O GLU A 90 3.828 6.267 10.770 1.00 0.00 O ATOM 1362 CB GLU A 90 4.990 5.699 7.831 1.00 0.00 C ATOM 1363 CG GLU A 90 5.884 4.970 6.790 1.00 0.00 C ATOM 1364 CD GLU A 90 7.119 4.280 7.392 1.00 0.00 C ATOM 1365 OE1 GLU A 90 8.169 4.930 7.525 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.046 3.086 7.728 1.00 0.00 O ATOM 0 H GLU A 90 3.615 3.733 7.253 1.00 0.00 H new ATOM 0 HA GLU A 90 5.165 4.389 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.183 6.207 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.584 6.469 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.282 4.224 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.213 5.691 6.042 1.00 0.00 H new ATOM 1373 N ALA A 91 2.093 5.482 9.541 1.00 0.00 N ATOM 1374 CA ALA A 91 1.011 6.035 10.387 1.00 0.00 C ATOM 1375 C ALA A 91 0.628 5.059 11.532 1.00 0.00 C ATOM 1376 O ALA A 91 0.123 5.484 12.578 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.210 6.349 9.509 1.00 0.00 C ATOM 0 H ALA A 91 1.751 5.012 8.703 1.00 0.00 H new ATOM 0 HA ALA A 91 1.368 6.953 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.009 6.756 10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.067 7.079 8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.556 5.435 9.026 1.00 0.00 H new ATOM 1383 N GLY A 92 0.871 3.748 11.318 1.00 0.00 N ATOM 1384 CA GLY A 92 0.612 2.706 12.336 1.00 0.00 C ATOM 1385 C GLY A 92 -0.436 1.665 11.918 1.00 0.00 C ATOM 1386 O GLY A 92 -0.564 0.617 12.562 1.00 0.00 O ATOM 0 H GLY A 92 1.249 3.384 10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.547 2.193 12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.283 3.187 13.257 1.00 0.00 H new ATOM 1390 N MET A 93 -1.182 1.949 10.832 1.00 0.00 N ATOM 1391 CA MET A 93 -2.289 1.085 10.355 1.00 0.00 C ATOM 1392 C MET A 93 -1.770 -0.076 9.460 1.00 0.00 C ATOM 1393 O MET A 93 -1.577 -1.194 9.947 1.00 0.00 O ATOM 1394 CB MET A 93 -3.352 1.944 9.603 1.00 0.00 C ATOM 1395 CG MET A 93 -3.947 3.079 10.455 1.00 0.00 C ATOM 1396 SD MET A 93 -4.685 2.489 11.999 1.00 0.00 S ATOM 1397 CE MET A 93 -6.002 1.416 11.415 1.00 0.00 C ATOM 0 H MET A 93 -1.038 2.781 10.260 1.00 0.00 H new ATOM 0 HA MET A 93 -2.760 0.628 11.225 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.895 2.373 8.711 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.159 1.294 9.266 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.164 3.802 10.685 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.705 3.604 9.873 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.639 1.133 12.253 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.596 1.943 10.668 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.570 0.520 10.969 1.00 0.00 H new ATOM 1407 N ALA A 94 -1.511 0.230 8.168 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.123 -0.758 7.126 1.00 0.00 C ATOM 1409 C ALA A 94 -2.170 -1.899 6.947 1.00 0.00 C ATOM 1410 O ALA A 94 -2.128 -2.915 7.659 1.00 0.00 O ATOM 1411 CB ALA A 94 0.284 -1.319 7.369 1.00 0.00 C ATOM 0 H ALA A 94 -1.566 1.184 7.811 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.104 -0.210 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.530 -2.037 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.008 -0.504 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.315 -1.815 8.339 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.146 -1.724 6.002 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.139 -2.779 5.648 1.00 0.00 C ATOM 1419 C PRO A 95 -3.536 -3.893 4.714 1.00 0.00 C ATOM 1420 O PRO A 95 -2.349 -3.838 4.396 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.233 -1.938 4.941 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.477 -0.850 4.249 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.370 -0.473 5.208 1.00 0.00 C ATOM 0 HA PRO A 95 -4.501 -3.350 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.801 -2.540 4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.947 -1.532 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.074 -1.194 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.121 0.003 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.468 -0.168 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.661 0.360 5.847 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.316 -4.955 4.302 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.816 -5.973 3.326 1.00 0.00 C ATOM 1433 C PRO A 96 -3.463 -5.386 1.921 1.00 0.00 C ATOM 1434 O PRO A 96 -4.269 -4.678 1.301 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.981 -7.004 3.244 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.189 -6.245 3.712 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.677 -5.311 4.787 1.00 0.00 C ATOM 0 HA PRO A 96 -2.872 -6.407 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.114 -7.373 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.788 -7.872 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.647 -5.690 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.950 -6.919 4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.311 -4.431 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.643 -5.798 5.762 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.232 -5.683 1.451 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.754 -5.334 0.090 1.00 0.00 C ATOM 1447 C VAL A 97 -1.757 -6.601 -0.813 1.00 0.00 C ATOM 1448 O VAL A 97 -1.520 -7.715 -0.346 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.318 -4.665 0.143 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.698 -5.555 0.892 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.215 -4.284 -1.266 1.00 0.00 C ATOM 0 H VAL A 97 -1.534 -6.176 2.008 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.434 -4.600 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.435 -3.738 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.671 -5.063 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.356 -5.716 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.785 -6.515 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.201 -3.830 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.286 -5.180 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.468 -3.575 -1.734 1.00 0.00 H new ATOM 1461 N VAL A 98 -2.057 -6.421 -2.101 1.00 0.00 N ATOM 1462 CA VAL A 98 -2.184 -7.535 -3.072 1.00 0.00 C ATOM 1463 C VAL A 98 -0.794 -7.935 -3.690 1.00 0.00 C ATOM 1464 O VAL A 98 -0.354 -7.408 -4.721 1.00 0.00 O ATOM 1465 CB VAL A 98 -3.259 -7.158 -4.161 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.873 -5.867 -4.911 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -3.536 -8.322 -5.137 1.00 0.00 C ATOM 0 H VAL A 98 -2.221 -5.501 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.532 -8.427 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.192 -6.965 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.636 -5.636 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.797 -5.043 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.913 -6.008 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.283 -8.014 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.614 -8.592 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.907 -9.183 -4.581 1.00 0.00 H new ATOM 1477 N LEU A 99 -0.093 -8.877 -3.024 1.00 0.00 N ATOM 1478 CA LEU A 99 1.263 -9.333 -3.450 1.00 0.00 C ATOM 1479 C LEU A 99 1.279 -10.046 -4.831 1.00 0.00 C ATOM 1480 O LEU A 99 2.314 -10.061 -5.502 1.00 0.00 O ATOM 1481 CB LEU A 99 1.926 -10.233 -2.349 1.00 0.00 C ATOM 1482 CG LEU A 99 2.911 -9.507 -1.377 1.00 0.00 C ATOM 1483 CD1 LEU A 99 3.513 -10.493 -0.357 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.021 -8.771 -2.172 1.00 0.00 C ATOM 0 H LEU A 99 -0.439 -9.343 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 99 1.856 -8.427 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.134 -10.692 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.464 -11.042 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 99 2.347 -8.761 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.194 -9.960 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.713 -10.943 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.059 -11.275 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.696 -8.272 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.581 -9.492 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.567 -8.031 -2.831 1.00 0.00 H new ATOM 1496 N GLN A 100 0.136 -10.616 -5.253 1.00 0.00 N ATOM 1497 CA GLN A 100 0.010 -11.283 -6.580 1.00 0.00 C ATOM 1498 C GLN A 100 -0.032 -10.257 -7.754 1.00 0.00 C ATOM 1499 O GLN A 100 -0.017 -10.649 -8.921 1.00 0.00 O ATOM 1500 CB GLN A 100 -1.254 -12.189 -6.593 1.00 0.00 C ATOM 1501 CG GLN A 100 -2.585 -11.429 -6.413 1.00 0.00 C ATOM 1502 CD GLN A 100 -3.814 -12.333 -6.292 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -4.194 -12.738 -5.201 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -4.454 -12.639 -7.401 1.00 0.00 N ATOM 0 H GLN A 100 -0.721 -10.633 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 100 0.897 -11.897 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.286 -12.734 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.163 -12.930 -5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.517 -10.807 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.724 -10.758 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.117 -12.289 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.287 -13.226 -7.364 1.00 0.00 H new ATOM 1513 N SER A 101 -0.093 -8.947 -7.425 1.00 0.00 N ATOM 1514 CA SER A 101 -0.100 -7.843 -8.426 1.00 0.00 C ATOM 1515 C SER A 101 1.061 -6.834 -8.190 1.00 0.00 C ATOM 1516 O SER A 101 1.343 -6.001 -9.057 1.00 0.00 O ATOM 1517 CB SER A 101 -1.467 -7.109 -8.374 1.00 0.00 C ATOM 1518 OG SER A 101 -1.566 -6.082 -9.355 1.00 0.00 O ATOM 0 H SER A 101 -0.139 -8.620 -6.460 1.00 0.00 H new ATOM 0 HA SER A 101 0.049 -8.281 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 101 -2.270 -7.830 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.608 -6.677 -7.383 1.00 0.00 H new ATOM 0 HG SER A 101 -0.668 -5.828 -9.654 1.00 0.00 H new ATOM 1524 N THR A 102 1.727 -6.909 -7.017 1.00 0.00 N ATOM 1525 CA THR A 102 2.797 -5.950 -6.617 1.00 0.00 C ATOM 1526 C THR A 102 4.193 -6.364 -7.168 1.00 0.00 C ATOM 1527 O THR A 102 4.636 -7.499 -6.967 1.00 0.00 O ATOM 1528 CB THR A 102 2.849 -5.811 -5.050 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.579 -5.341 -4.554 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.949 -4.844 -4.574 1.00 0.00 C ATOM 0 H THR A 102 1.544 -7.630 -6.319 1.00 0.00 H new ATOM 0 HA THR A 102 2.547 -4.984 -7.056 1.00 0.00 H new ATOM 0 HB THR A 102 3.077 -6.802 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.917 -6.061 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.938 -4.788 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.921 -5.206 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.768 -3.853 -4.990 1.00 0.00 H new ATOM 1538 N GLU A 103 4.876 -5.423 -7.868 1.00 0.00 N ATOM 1539 CA GLU A 103 6.236 -5.648 -8.443 1.00 0.00 C ATOM 1540 C GLU A 103 7.358 -5.229 -7.441 1.00 0.00 C ATOM 1541 O GLU A 103 7.096 -4.521 -6.465 1.00 0.00 O ATOM 1542 CB GLU A 103 6.385 -4.850 -9.778 1.00 0.00 C ATOM 1543 CG GLU A 103 7.616 -5.230 -10.633 1.00 0.00 C ATOM 1544 CD GLU A 103 7.791 -4.352 -11.879 1.00 0.00 C ATOM 1545 OE1 GLU A 103 8.213 -3.192 -11.733 1.00 0.00 O ATOM 1546 OE2 GLU A 103 7.508 -4.812 -13.005 1.00 0.00 O ATOM 0 H GLU A 103 4.506 -4.490 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 103 6.347 -6.714 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.486 -5.000 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.438 -3.787 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.513 -5.156 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.526 -6.271 -10.942 1.00 0.00 H new ATOM 1553 N LYS A 104 8.612 -5.658 -7.721 1.00 0.00 N ATOM 1554 CA LYS A 104 9.817 -5.318 -6.915 1.00 0.00 C ATOM 1555 C LYS A 104 10.157 -3.791 -6.898 1.00 0.00 C ATOM 1556 O LYS A 104 10.934 -3.347 -6.050 1.00 0.00 O ATOM 1557 CB LYS A 104 11.040 -6.109 -7.444 1.00 0.00 C ATOM 1558 CG LYS A 104 11.401 -5.799 -8.919 1.00 0.00 C ATOM 1559 CD LYS A 104 12.733 -6.440 -9.366 1.00 0.00 C ATOM 1560 CE LYS A 104 13.945 -5.927 -8.558 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.228 -6.462 -9.069 1.00 0.00 N ATOM 0 H LYS A 104 8.821 -6.256 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 104 9.584 -5.598 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.902 -5.888 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.840 -7.176 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.599 -6.155 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.462 -4.719 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.663 -7.523 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.894 -6.233 -10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.968 -4.838 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.827 -6.209 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.012 -6.090 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.219 -7.500 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.355 -6.172 -10.059 1.00 0.00 H new ATOM 1575 N SER A 105 9.599 -3.004 -7.851 1.00 0.00 N ATOM 1576 CA SER A 105 9.736 -1.516 -7.851 1.00 0.00 C ATOM 1577 C SER A 105 9.122 -0.881 -6.584 1.00 0.00 C ATOM 1578 O SER A 105 9.495 0.235 -6.202 1.00 0.00 O ATOM 1579 CB SER A 105 9.120 -0.889 -9.122 1.00 0.00 C ATOM 1580 OG SER A 105 9.861 -1.236 -10.277 1.00 0.00 O ATOM 0 H SER A 105 9.050 -3.369 -8.630 1.00 0.00 H new ATOM 0 HA SER A 105 10.805 -1.301 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.089 -1.226 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.091 0.196 -9.018 1.00 0.00 H new ATOM 0 HG SER A 105 9.351 -1.879 -10.812 1.00 0.00 H new ATOM 1586 N ALA A 106 8.149 -1.591 -5.967 1.00 0.00 N ATOM 1587 CA ALA A 106 7.570 -1.214 -4.655 1.00 0.00 C ATOM 1588 C ALA A 106 8.660 -1.060 -3.570 1.00 0.00 C ATOM 1589 O ALA A 106 8.613 -0.130 -2.768 1.00 0.00 O ATOM 1590 CB ALA A 106 6.524 -2.247 -4.202 1.00 0.00 C ATOM 0 H ALA A 106 7.744 -2.439 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 106 7.084 -0.247 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.113 -1.950 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.722 -2.299 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.995 -3.225 -4.109 1.00 0.00 H new ATOM 1596 N LEU A 107 9.666 -1.956 -3.608 1.00 0.00 N ATOM 1597 CA LEU A 107 10.777 -2.027 -2.614 1.00 0.00 C ATOM 1598 C LEU A 107 11.736 -0.801 -2.667 1.00 0.00 C ATOM 1599 O LEU A 107 12.736 -0.764 -1.944 1.00 0.00 O ATOM 1600 CB LEU A 107 11.587 -3.347 -2.817 1.00 0.00 C ATOM 1601 CG LEU A 107 10.939 -4.674 -2.297 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.578 -4.977 -2.962 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.918 -5.859 -2.477 1.00 0.00 C ATOM 0 H LEU A 107 9.739 -2.665 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 107 10.314 -2.015 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.783 -3.462 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.553 -3.229 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 107 10.739 -4.536 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.177 -5.908 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.883 -4.164 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.713 -5.073 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.453 -6.774 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.161 -5.973 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.831 -5.666 -1.914 1.00 0.00 H new ATOM 1615 N ARG A 108 11.430 0.192 -3.524 1.00 0.00 N ATOM 1616 CA ARG A 108 12.191 1.463 -3.596 1.00 0.00 C ATOM 1617 C ARG A 108 11.500 2.555 -2.738 1.00 0.00 C ATOM 1618 O ARG A 108 11.992 3.681 -2.619 1.00 0.00 O ATOM 1619 CB ARG A 108 12.318 1.924 -5.073 1.00 0.00 C ATOM 1620 CG ARG A 108 12.877 0.843 -6.035 1.00 0.00 C ATOM 1621 CD ARG A 108 13.294 1.423 -7.400 1.00 0.00 C ATOM 1622 NE ARG A 108 14.436 2.353 -7.268 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.707 3.360 -8.072 1.00 0.00 C ATOM 1624 NH1 ARG A 108 13.915 3.681 -9.046 1.00 0.00 N ATOM 1625 NH2 ARG A 108 15.777 4.053 -7.877 1.00 0.00 N ATOM 0 H ARG A 108 10.654 0.141 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 108 13.192 1.299 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.337 2.237 -5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.966 2.799 -5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.737 0.360 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.122 0.072 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.562 0.610 -8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.449 1.945 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 108 15.071 2.201 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.059 3.149 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.147 4.466 -9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.403 3.819 -7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.997 4.835 -8.493 1.00 0.00 H new ATOM 1639 N TYR A 109 10.344 2.188 -2.153 1.00 0.00 N ATOM 1640 CA TYR A 109 9.493 3.067 -1.332 1.00 0.00 C ATOM 1641 C TYR A 109 9.160 2.337 -0.016 1.00 0.00 C ATOM 1642 O TYR A 109 9.369 2.869 1.077 1.00 0.00 O ATOM 1643 CB TYR A 109 8.186 3.406 -2.094 1.00 0.00 C ATOM 1644 CG TYR A 109 8.399 4.072 -3.465 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.592 3.312 -4.630 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.418 5.456 -3.588 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.800 3.923 -5.852 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.618 6.067 -4.805 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.812 5.302 -5.931 1.00 0.00 C ATOM 1650 OH TYR A 109 9.024 5.921 -7.140 1.00 0.00 O ATOM 0 H TYR A 109 9.967 1.245 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 109 10.019 3.998 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.615 2.489 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.580 4.067 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.578 2.234 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.273 6.066 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.952 3.326 -6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.623 7.145 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 109 8.173 6.002 -7.620 1.00 0.00 H new ATOM 1660 N VAL A 110 8.630 1.104 -0.151 1.00 0.00 N ATOM 1661 CA VAL A 110 8.400 0.189 0.985 1.00 0.00 C ATOM 1662 C VAL A 110 9.621 -0.699 1.277 1.00 0.00 C ATOM 1663 O VAL A 110 10.651 -0.648 0.597 1.00 0.00 O ATOM 1664 CB VAL A 110 7.166 -0.785 0.762 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.890 -0.053 0.441 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.414 -1.821 -0.331 1.00 0.00 C ATOM 0 H VAL A 110 8.349 0.715 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 110 8.199 0.855 1.824 1.00 0.00 H new ATOM 0 HB VAL A 110 7.054 -1.295 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.084 -0.772 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.638 0.617 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.023 0.527 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.535 -2.457 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.610 -1.314 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.275 -2.434 -0.063 1.00 0.00 H new ATOM 1676 N SER A 111 9.464 -1.505 2.324 1.00 0.00 N ATOM 1677 CA SER A 111 10.218 -2.747 2.507 1.00 0.00 C ATOM 1678 C SER A 111 9.364 -3.925 2.012 1.00 0.00 C ATOM 1679 O SER A 111 8.130 -3.876 2.095 1.00 0.00 O ATOM 1680 CB SER A 111 10.561 -2.931 3.988 1.00 0.00 C ATOM 1681 OG SER A 111 11.289 -4.129 4.212 1.00 0.00 O ATOM 0 H SER A 111 8.804 -1.314 3.078 1.00 0.00 H new ATOM 0 HA SER A 111 11.146 -2.705 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.146 -2.079 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.643 -2.948 4.575 1.00 0.00 H new ATOM 0 HG SER A 111 11.493 -4.214 5.167 1.00 0.00 H new ATOM 1687 N LEU A 112 10.009 -4.979 1.498 1.00 0.00 N ATOM 1688 CA LEU A 112 9.306 -6.246 1.175 1.00 0.00 C ATOM 1689 C LEU A 112 8.620 -6.806 2.441 1.00 0.00 C ATOM 1690 O LEU A 112 7.538 -7.383 2.371 1.00 0.00 O ATOM 1691 CB LEU A 112 10.292 -7.267 0.539 1.00 0.00 C ATOM 1692 CG LEU A 112 9.859 -8.786 0.479 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.389 -9.492 -0.786 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.329 -9.556 1.743 1.00 0.00 C ATOM 0 H LEU A 112 11.008 -4.990 1.295 1.00 0.00 H new ATOM 0 HA LEU A 112 8.527 -6.052 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.499 -6.939 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.231 -7.210 1.089 1.00 0.00 H new ATOM 0 HG LEU A 112 8.770 -8.795 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.067 -10.533 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.997 -8.993 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.478 -9.450 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.016 -10.598 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.416 -9.508 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.886 -9.104 2.630 1.00 0.00 H new ATOM 1706 N ALA A 113 9.272 -6.590 3.595 1.00 0.00 N ATOM 1707 CA ALA A 113 8.737 -6.958 4.917 1.00 0.00 C ATOM 1708 C ALA A 113 7.366 -6.288 5.212 1.00 0.00 C ATOM 1709 O ALA A 113 6.560 -6.869 5.925 1.00 0.00 O ATOM 1710 CB ALA A 113 9.762 -6.612 6.002 1.00 0.00 C ATOM 0 H ALA A 113 10.192 -6.152 3.638 1.00 0.00 H new ATOM 0 HA ALA A 113 8.559 -8.033 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.364 -6.885 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.685 -7.162 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.968 -5.542 5.980 1.00 0.00 H new ATOM 1716 N ASP A 114 7.109 -5.071 4.655 1.00 0.00 N ATOM 1717 CA ASP A 114 5.803 -4.387 4.814 1.00 0.00 C ATOM 1718 C ASP A 114 4.715 -5.114 3.982 1.00 0.00 C ATOM 1719 O ASP A 114 3.580 -5.288 4.425 1.00 0.00 O ATOM 1720 CB ASP A 114 5.920 -2.889 4.397 1.00 0.00 C ATOM 1721 CG ASP A 114 4.689 -2.034 4.761 1.00 0.00 C ATOM 1722 OD1 ASP A 114 4.041 -2.317 5.798 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.394 -1.060 4.037 1.00 0.00 O ATOM 0 H ASP A 114 7.786 -4.551 4.097 1.00 0.00 H new ATOM 0 HA ASP A 114 5.510 -4.422 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.801 -2.459 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.081 -2.835 3.320 1.00 0.00 H new ATOM 1728 N LEU A 115 5.114 -5.589 2.794 1.00 0.00 N ATOM 1729 CA LEU A 115 4.226 -6.301 1.860 1.00 0.00 C ATOM 1730 C LEU A 115 3.782 -7.660 2.446 1.00 0.00 C ATOM 1731 O LEU A 115 2.600 -7.987 2.476 1.00 0.00 O ATOM 1732 CB LEU A 115 4.962 -6.537 0.515 1.00 0.00 C ATOM 1733 CG LEU A 115 5.528 -5.275 -0.198 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.262 -5.631 -1.493 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.426 -4.265 -0.492 1.00 0.00 C ATOM 0 H LEU A 115 6.069 -5.490 2.450 1.00 0.00 H new ATOM 0 HA LEU A 115 3.341 -5.687 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.787 -7.226 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.273 -7.035 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 115 6.246 -4.825 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.641 -4.721 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.095 -6.297 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.574 -6.128 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.853 -3.395 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.677 -4.722 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.958 -3.955 0.442 1.00 0.00 H new ATOM 1747 N GLN A 116 4.773 -8.426 2.914 1.00 0.00 N ATOM 1748 CA GLN A 116 4.591 -9.814 3.381 1.00 0.00 C ATOM 1749 C GLN A 116 3.917 -9.889 4.758 1.00 0.00 C ATOM 1750 O GLN A 116 3.093 -10.779 5.006 1.00 0.00 O ATOM 1751 CB GLN A 116 5.960 -10.522 3.392 1.00 0.00 C ATOM 1752 CG GLN A 116 6.688 -10.454 2.030 1.00 0.00 C ATOM 1753 CD GLN A 116 7.537 -11.687 1.728 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.063 -12.321 2.634 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.682 -12.029 0.460 1.00 0.00 N ATOM 0 H GLN A 116 5.737 -8.100 2.982 1.00 0.00 H new ATOM 0 HA GLN A 116 3.918 -10.322 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.590 -10.069 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.820 -11.566 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.949 -10.329 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.326 -9.571 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.230 -11.480 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.245 -12.842 0.212 1.00 0.00 H new ATOM 1764 N ALA A 117 4.275 -8.941 5.639 1.00 0.00 N ATOM 1765 CA ALA A 117 3.619 -8.774 6.962 1.00 0.00 C ATOM 1766 C ALA A 117 2.103 -8.496 6.839 1.00 0.00 C ATOM 1767 O ALA A 117 1.338 -8.759 7.772 1.00 0.00 O ATOM 1768 CB ALA A 117 4.286 -7.635 7.745 1.00 0.00 C ATOM 0 H ALA A 117 5.022 -8.269 5.463 1.00 0.00 H new ATOM 0 HA ALA A 117 3.741 -9.716 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.796 -7.523 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.340 -7.866 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.196 -6.706 7.183 1.00 0.00 H new ATOM 1774 N HIS A 118 1.690 -7.926 5.689 1.00 0.00 N ATOM 1775 CA HIS A 118 0.280 -7.576 5.411 1.00 0.00 C ATOM 1776 C HIS A 118 -0.270 -8.313 4.161 1.00 0.00 C ATOM 1777 O HIS A 118 -1.274 -7.890 3.583 1.00 0.00 O ATOM 1778 CB HIS A 118 0.167 -6.038 5.260 1.00 0.00 C ATOM 1779 CG HIS A 118 0.633 -5.295 6.489 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.054 -5.333 7.674 1.00 0.00 N ATOM 1781 CD2 HIS A 118 1.748 -4.560 6.737 1.00 0.00 C ATOM 1782 CE1 HIS A 118 0.611 -4.677 8.595 1.00 0.00 C ATOM 1783 NE2 HIS A 118 1.709 -4.195 8.056 1.00 0.00 N ATOM 0 H HIS A 118 2.325 -7.695 4.925 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.336 -7.905 6.248 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.757 -5.717 4.401 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.870 -5.773 5.052 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.521 -4.310 6.026 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.307 -4.554 9.624 1.00 0.00 H new ATOM 0 HE2 HIS A 118 2.415 -3.641 8.540 1.00 0.00 H new ATOM 1792 N ALA A 119 0.388 -9.426 3.755 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.141 -10.329 2.711 1.00 0.00 C ATOM 1794 C ALA A 119 0.414 -11.774 2.848 1.00 0.00 C ATOM 1795 O ALA A 119 -0.040 -12.534 3.709 1.00 0.00 O ATOM 1796 CB ALA A 119 0.110 -9.749 1.301 1.00 0.00 C ATOM 0 H ALA A 119 1.287 -9.718 4.137 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.219 -10.398 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.288 -10.432 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.386 -8.782 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.181 -9.623 1.145 1.00 0.00 H new ATOM 1802 N LEU A 120 1.412 -12.145 2.008 1.00 0.00 N ATOM 1803 CA LEU A 120 1.913 -13.536 1.894 1.00 0.00 C ATOM 1804 C LEU A 120 3.403 -13.635 2.296 1.00 0.00 C ATOM 1805 O LEU A 120 4.220 -12.836 1.837 1.00 0.00 O ATOM 1806 CB LEU A 120 1.707 -14.103 0.450 1.00 0.00 C ATOM 1807 CG LEU A 120 0.275 -14.625 0.091 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -0.219 -15.637 1.146 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.736 -13.472 -0.128 1.00 0.00 C ATOM 0 H LEU A 120 1.891 -11.489 1.392 1.00 0.00 H new ATOM 0 HA LEU A 120 1.329 -14.141 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.971 -13.321 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.413 -14.920 0.303 1.00 0.00 H new ATOM 0 HG LEU A 120 0.347 -15.147 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.216 -15.986 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.465 -16.485 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.255 -15.155 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.713 -13.887 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.813 -12.878 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.394 -12.839 -0.947 1.00 0.00 H new ATOM 1821 N PRO A 121 3.775 -14.651 3.132 1.00 0.00 N ATOM 1822 CA PRO A 121 5.149 -14.815 3.640 1.00 0.00 C ATOM 1823 C PRO A 121 6.056 -15.651 2.684 1.00 0.00 C ATOM 1824 O PRO A 121 5.644 -16.699 2.164 1.00 0.00 O ATOM 1825 CB PRO A 121 4.900 -15.527 4.993 1.00 0.00 C ATOM 1826 CG PRO A 121 3.632 -16.330 4.812 1.00 0.00 C ATOM 1827 CD PRO A 121 2.879 -15.731 3.633 1.00 0.00 C ATOM 0 HA PRO A 121 5.693 -13.875 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.738 -16.174 5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.792 -14.803 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.865 -17.378 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 121 3.023 -16.294 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 121 2.688 -16.478 2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.911 -15.334 3.940 1.00 0.00 H new ATOM 1835 N VAL A 122 7.297 -15.177 2.456 1.00 0.00 N ATOM 1836 CA VAL A 122 8.293 -15.895 1.624 1.00 0.00 C ATOM 1837 C VAL A 122 8.889 -17.106 2.397 1.00 0.00 C ATOM 1838 O VAL A 122 8.915 -17.118 3.636 1.00 0.00 O ATOM 1839 CB VAL A 122 9.456 -14.924 1.154 1.00 0.00 C ATOM 1840 CG1 VAL A 122 10.366 -14.485 2.335 1.00 0.00 C ATOM 1841 CG2 VAL A 122 10.286 -15.526 -0.005 1.00 0.00 C ATOM 0 H VAL A 122 7.638 -14.295 2.838 1.00 0.00 H new ATOM 0 HA VAL A 122 7.776 -16.264 0.738 1.00 0.00 H new ATOM 0 HB VAL A 122 8.971 -14.027 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.147 -13.821 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.768 -13.961 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 122 10.822 -15.365 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 122 11.070 -14.826 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 122 10.738 -16.463 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.635 -15.714 -0.859 1.00 0.00 H new ATOM 1851 N LEU A 123 9.340 -18.129 1.658 1.00 0.00 N ATOM 1852 CA LEU A 123 10.117 -19.253 2.215 1.00 0.00 C ATOM 1853 C LEU A 123 11.534 -19.266 1.614 1.00 0.00 C ATOM 1854 O LEU A 123 11.840 -18.514 0.680 1.00 0.00 O ATOM 1855 CB LEU A 123 9.368 -20.636 2.063 1.00 0.00 C ATOM 1856 CG LEU A 123 8.901 -21.163 0.642 1.00 0.00 C ATOM 1857 CD1 LEU A 123 7.906 -20.215 -0.061 1.00 0.00 C ATOM 1858 CD2 LEU A 123 10.081 -21.552 -0.281 1.00 0.00 C ATOM 0 H LEU A 123 9.178 -18.204 0.654 1.00 0.00 H new ATOM 0 HA LEU A 123 10.217 -19.101 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.019 -21.400 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.480 -20.588 2.693 1.00 0.00 H new ATOM 0 HG LEU A 123 8.355 -22.084 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.626 -20.633 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.015 -20.100 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.373 -19.241 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.694 -21.904 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 123 10.717 -20.682 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.664 -22.344 0.188 1.00 0.00 H new ATOM 1870 N GLU A 124 12.386 -20.126 2.157 1.00 0.00 N ATOM 1871 CA GLU A 124 13.801 -20.240 1.757 1.00 0.00 C ATOM 1872 C GLU A 124 14.145 -21.693 1.375 1.00 0.00 C ATOM 1873 O GLU A 124 13.420 -22.634 1.736 1.00 0.00 O ATOM 1874 CB GLU A 124 14.743 -19.729 2.898 1.00 0.00 C ATOM 1875 CG GLU A 124 14.674 -20.494 4.254 1.00 0.00 C ATOM 1876 CD GLU A 124 13.357 -20.281 5.029 1.00 0.00 C ATOM 1877 OE1 GLU A 124 13.192 -19.216 5.659 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.472 -21.161 4.992 1.00 0.00 O ATOM 0 H GLU A 124 12.120 -20.776 2.897 1.00 0.00 H new ATOM 0 HA GLU A 124 13.958 -19.612 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.770 -19.770 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.513 -18.680 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.804 -21.560 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.508 -20.177 4.881 1.00 0.00 H new ATOM 1885 N HIS A 125 15.258 -21.857 0.639 1.00 0.00 N ATOM 1886 CA HIS A 125 15.783 -23.180 0.251 1.00 0.00 C ATOM 1887 C HIS A 125 16.368 -23.887 1.496 1.00 0.00 C ATOM 1888 O HIS A 125 17.360 -23.428 2.069 1.00 0.00 O ATOM 1889 CB HIS A 125 16.857 -23.034 -0.860 1.00 0.00 C ATOM 1890 CG HIS A 125 16.374 -22.336 -2.106 1.00 0.00 C ATOM 1891 ND1 HIS A 125 15.553 -22.936 -3.036 1.00 0.00 N ATOM 1892 CD2 HIS A 125 16.606 -21.084 -2.577 1.00 0.00 C ATOM 1893 CE1 HIS A 125 15.308 -22.098 -4.019 1.00 0.00 C ATOM 1894 NE2 HIS A 125 15.932 -20.967 -3.768 1.00 0.00 N ATOM 0 H HIS A 125 15.819 -21.077 0.296 1.00 0.00 H new ATOM 0 HA HIS A 125 14.971 -23.787 -0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.707 -22.484 -0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 125 17.219 -24.026 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 125 17.208 -20.322 -2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 125 14.698 -22.303 -4.886 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.918 -20.138 -4.362 1.00 0.00 H new ATOM 1903 N HIS A 126 15.710 -24.972 1.938 1.00 0.00 N ATOM 1904 CA HIS A 126 16.084 -25.692 3.176 1.00 0.00 C ATOM 1905 C HIS A 126 17.223 -26.712 2.925 1.00 0.00 C ATOM 1906 O HIS A 126 17.119 -27.568 2.040 1.00 0.00 O ATOM 1907 CB HIS A 126 14.845 -26.401 3.775 1.00 0.00 C ATOM 1908 CG HIS A 126 13.738 -25.455 4.160 1.00 0.00 C ATOM 1909 ND1 HIS A 126 12.627 -25.236 3.376 1.00 0.00 N ATOM 1910 CD2 HIS A 126 13.562 -24.693 5.269 1.00 0.00 C ATOM 1911 CE1 HIS A 126 11.826 -24.379 3.973 1.00 0.00 C ATOM 1912 NE2 HIS A 126 12.364 -24.038 5.124 1.00 0.00 N ATOM 0 H HIS A 126 14.908 -25.376 1.454 1.00 0.00 H new ATOM 0 HA HIS A 126 16.455 -24.957 3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 126 14.462 -27.120 3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 126 15.150 -26.967 4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.237 -24.616 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 126 10.886 -24.017 3.584 1.00 0.00 H new ATOM 0 HE2 HIS A 126 11.957 -23.391 5.800 1.00 0.00 H new ATOM 1921 N HIS A 127 18.298 -26.614 3.729 1.00 0.00 N ATOM 1922 CA HIS A 127 19.481 -27.503 3.637 1.00 0.00 C ATOM 1923 C HIS A 127 20.244 -27.545 4.979 1.00 0.00 C ATOM 1924 O HIS A 127 19.984 -26.731 5.877 1.00 0.00 O ATOM 1925 CB HIS A 127 20.419 -27.057 2.477 1.00 0.00 C ATOM 1926 CG HIS A 127 20.892 -25.623 2.562 1.00 0.00 C ATOM 1927 ND1 HIS A 127 22.106 -25.254 3.107 1.00 0.00 N ATOM 1928 CD2 HIS A 127 20.318 -24.468 2.139 1.00 0.00 C ATOM 1929 CE1 HIS A 127 22.250 -23.947 3.019 1.00 0.00 C ATOM 1930 NE2 HIS A 127 21.183 -23.445 2.434 1.00 0.00 N ATOM 0 H HIS A 127 18.375 -25.913 4.466 1.00 0.00 H new ATOM 0 HA HIS A 127 19.130 -28.512 3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 127 21.290 -27.712 2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 127 19.896 -27.197 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 127 19.356 -24.372 1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 127 23.101 -23.382 3.369 1.00 0.00 H new ATOM 0 HE2 HIS A 127 21.025 -22.458 2.233 1.00 0.00 H new ATOM 1939 N HIS A 128 21.179 -28.510 5.109 1.00 0.00 N ATOM 1940 CA HIS A 128 21.997 -28.671 6.333 1.00 0.00 C ATOM 1941 C HIS A 128 22.927 -27.449 6.536 1.00 0.00 C ATOM 1942 O HIS A 128 23.734 -27.123 5.659 1.00 0.00 O ATOM 1943 CB HIS A 128 22.822 -29.977 6.278 1.00 0.00 C ATOM 1944 CG HIS A 128 22.004 -31.231 6.171 1.00 0.00 C ATOM 1945 ND1 HIS A 128 21.224 -31.709 7.199 1.00 0.00 N ATOM 1946 CD2 HIS A 128 21.851 -32.112 5.154 1.00 0.00 C ATOM 1947 CE1 HIS A 128 20.629 -32.822 6.826 1.00 0.00 C ATOM 1948 NE2 HIS A 128 20.993 -33.087 5.591 1.00 0.00 N ATOM 0 H HIS A 128 21.388 -29.192 4.380 1.00 0.00 H new ATOM 0 HA HIS A 128 21.319 -28.732 7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 128 23.499 -29.927 5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 128 23.441 -30.038 7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 128 22.317 -32.057 4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 128 19.958 -33.415 7.430 1.00 0.00 H new ATOM 0 HE2 HIS A 128 20.685 -33.891 5.044 1.00 0.00 H new ATOM 1957 N HIS A 129 22.782 -26.779 7.690 1.00 0.00 N ATOM 1958 CA HIS A 129 23.503 -25.530 8.003 1.00 0.00 C ATOM 1959 C HIS A 129 24.953 -25.812 8.463 1.00 0.00 C ATOM 1960 O HIS A 129 25.177 -26.229 9.608 1.00 0.00 O ATOM 1961 CB HIS A 129 22.727 -24.719 9.073 1.00 0.00 C ATOM 1962 CG HIS A 129 21.397 -24.195 8.588 1.00 0.00 C ATOM 1963 ND1 HIS A 129 20.256 -24.965 8.533 1.00 0.00 N ATOM 1964 CD2 HIS A 129 21.037 -22.972 8.121 1.00 0.00 C ATOM 1965 CE1 HIS A 129 19.261 -24.243 8.059 1.00 0.00 C ATOM 1966 NE2 HIS A 129 19.704 -23.033 7.802 1.00 0.00 N ATOM 0 H HIS A 129 22.159 -27.088 8.437 1.00 0.00 H new ATOM 0 HA HIS A 129 23.564 -24.935 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 129 22.563 -25.350 9.946 1.00 0.00 H new ATOM 0 HB3 HIS A 129 23.342 -23.880 9.397 1.00 0.00 H new ATOM 0 HD2 HIS A 129 21.681 -22.111 8.019 1.00 0.00 H new ATOM 0 HE1 HIS A 129 18.249 -24.588 7.907 1.00 0.00 H new ATOM 0 HE2 HIS A 129 19.148 -22.265 7.427 1.00 0.00 H new ATOM 1975 N HIS A 130 25.910 -25.600 7.525 1.00 0.00 N ATOM 1976 CA HIS A 130 27.376 -25.721 7.750 1.00 0.00 C ATOM 1977 C HIS A 130 27.802 -27.164 8.170 1.00 0.00 C ATOM 1978 O HIS A 130 27.876 -27.466 9.382 1.00 0.00 O ATOM 1979 CB HIS A 130 27.872 -24.642 8.756 1.00 0.00 C ATOM 1980 CG HIS A 130 27.563 -23.225 8.336 1.00 0.00 C ATOM 1981 ND1 HIS A 130 28.312 -22.533 7.408 1.00 0.00 N ATOM 1982 CD2 HIS A 130 26.573 -22.377 8.711 1.00 0.00 C ATOM 1983 CE1 HIS A 130 27.804 -21.331 7.235 1.00 0.00 C ATOM 1984 NE2 HIS A 130 26.751 -21.211 8.010 1.00 0.00 N ATOM 1985 OXT HIS A 130 28.033 -28.004 7.276 1.00 0.00 O ATOM 0 H HIS A 130 25.680 -25.334 6.568 1.00 0.00 H new ATOM 0 HA HIS A 130 27.868 -25.535 6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 130 27.417 -24.830 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 130 28.950 -24.746 8.883 1.00 0.00 H new ATOM 0 HD2 HIS A 130 25.791 -22.581 9.427 1.00 0.00 H new ATOM 0 HE1 HIS A 130 28.188 -20.573 6.569 1.00 0.00 H new ATOM 0 HE2 HIS A 130 26.160 -20.383 8.080 1.00 0.00 H new TER 1994 HIS A 130