USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=32 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 26 ASN : amide:sc= 0.949 K(o=2.1,f=-6.8!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 152:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 39 HIS :FLIP no HD1:sc= 0.463 F(o=-0.034,f=0.89) USER MOD Set 2.2: A 109 TYR OH : rot 81:sc= 0.428 USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= 0.966 USER MOD Set 3.2: A 17 CYS SG : rot 55:sc= 1.18 USER MOD Set 4.1: A 10 GLN : amide:sc= 0.087 K(o=0.46,f=-2.6) USER MOD Set 4.2: A 126 HIS : no HE2:sc= 0.371 K(o=0.46,f=-4.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.27) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.734 F(o=-1.6,f=-0.73) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0104 F(o=-1.5,f=-0.01) USER MOD Single : A 15 CYS SG : rot 4:sc= 0.107 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.139 (180deg=-0.796) USER MOD Single : A 21 THR OG1 : rot 113:sc= -0.325 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 61:sc= 1.32 USER MOD Single : A 30 GLN : amide:sc= -4.02! C(o=-4!,f=-8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 38 SER OG : rot 51:sc= -0.865 USER MOD Single : A 40 THR OG1 : rot -59:sc= 0.224 USER MOD Single : A 42 CYS SG : rot 70:sc= 0.128 USER MOD Single : A 45 MET CE :methyl -118:sc= -1.9 (180deg=-5.59!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 53 SER OG : rot 65:sc= 0.373 USER MOD Single : A 58 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.6) USER MOD Single : A 61 MET CE :methyl 175:sc= -0.0135 (180deg=-0.0911) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc=-0.00525 F(o=-0.74,f=-0.0053) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 0.82 (180deg=0.25) USER MOD Single : A 79 CYS SG : rot -43:sc= 0.914 USER MOD Single : A 81 CYS SG : rot 11:sc= -1.51! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.207 F(o=-1.3!,f=-0.21) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 101 SER OG : rot 68:sc= 0.197 USER MOD Single : A 102 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 105 SER OG : rot 120:sc= 0.0207 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00155 USER MOD Single : A 116 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.7) USER MOD Single : A 118 HIS : no HD1:sc=-0.00214 K(o=-0.0021,f=-0.84) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 129 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.046) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.906 -23.434 -0.146 1.00 0.00 N ATOM 2 CA MET A 1 1.923 -22.384 -0.537 1.00 0.00 C ATOM 3 C MET A 1 2.579 -20.983 -0.460 1.00 0.00 C ATOM 4 O MET A 1 2.803 -20.452 0.637 1.00 0.00 O ATOM 5 CB MET A 1 0.667 -22.474 0.375 1.00 0.00 C ATOM 6 CG MET A 1 -0.474 -21.507 0.022 1.00 0.00 C ATOM 7 SD MET A 1 -1.914 -21.731 1.090 1.00 0.00 S ATOM 8 CE MET A 1 -3.035 -20.477 0.467 1.00 0.00 C ATOM 0 H1 MET A 1 2.455 -24.370 -0.201 1.00 0.00 H new ATOM 0 H2 MET A 1 3.721 -23.404 -0.791 1.00 0.00 H new ATOM 0 H3 MET A 1 3.229 -23.262 0.828 1.00 0.00 H new ATOM 0 HA MET A 1 1.607 -22.547 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.282 -23.493 0.335 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.972 -22.288 1.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.117 -20.481 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.767 -21.658 -1.017 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.964 -20.504 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.575 -19.494 0.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.248 -20.670 -0.584 1.00 0.00 H new ATOM 20 N GLY A 2 2.913 -20.410 -1.638 1.00 0.00 N ATOM 21 CA GLY A 2 3.580 -19.096 -1.731 1.00 0.00 C ATOM 22 C GLY A 2 5.096 -19.168 -1.482 1.00 0.00 C ATOM 23 O GLY A 2 5.903 -18.956 -2.396 1.00 0.00 O ATOM 0 H GLY A 2 2.729 -20.843 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.400 -18.674 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.131 -18.416 -1.007 1.00 0.00 H new ATOM 27 N GLN A 3 5.466 -19.472 -0.226 1.00 0.00 N ATOM 28 CA GLN A 3 6.871 -19.577 0.224 1.00 0.00 C ATOM 29 C GLN A 3 7.480 -20.963 -0.142 1.00 0.00 C ATOM 30 O GLN A 3 7.010 -21.998 0.346 1.00 0.00 O ATOM 31 CB GLN A 3 6.912 -19.346 1.762 1.00 0.00 C ATOM 32 CG GLN A 3 8.319 -19.372 2.402 1.00 0.00 C ATOM 33 CD GLN A 3 8.305 -19.230 3.931 1.00 0.00 C ATOM 34 OE1 GLN A 3 7.428 -18.590 4.506 1.00 0.00 O ATOM 35 NE2 GLN A 3 9.285 -19.811 4.597 1.00 0.00 N ATOM 0 H GLN A 3 4.792 -19.655 0.517 1.00 0.00 H new ATOM 0 HA GLN A 3 7.471 -18.821 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.451 -18.383 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.299 -20.109 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.811 -20.308 2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.917 -18.566 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.001 -20.337 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.327 -19.734 5.613 1.00 0.00 H new ATOM 44 N GLY A 4 8.510 -20.964 -1.016 1.00 0.00 N ATOM 45 CA GLY A 4 9.243 -22.190 -1.381 1.00 0.00 C ATOM 46 C GLY A 4 10.590 -21.888 -2.051 1.00 0.00 C ATOM 47 O GLY A 4 10.631 -21.487 -3.217 1.00 0.00 O ATOM 0 H GLY A 4 8.852 -20.124 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.412 -22.789 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.631 -22.789 -2.055 1.00 0.00 H new ATOM 51 N GLN A 5 11.699 -22.094 -1.313 1.00 0.00 N ATOM 52 CA GLN A 5 13.079 -21.776 -1.783 1.00 0.00 C ATOM 53 C GLN A 5 13.868 -23.063 -2.133 1.00 0.00 C ATOM 54 O GLN A 5 13.541 -24.152 -1.653 1.00 0.00 O ATOM 55 CB GLN A 5 13.862 -20.968 -0.698 1.00 0.00 C ATOM 56 CG GLN A 5 13.422 -19.499 -0.461 1.00 0.00 C ATOM 57 CD GLN A 5 11.941 -19.326 -0.106 1.00 0.00 C ATOM 58 OE1 GLN A 5 11.591 -19.636 1.118 1.00 0.00 O flip ATOM 59 NE2 GLN A 5 11.112 -18.999 -0.947 1.00 0.00 N flip ATOM 0 H GLN A 5 11.672 -22.486 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 5 12.981 -21.170 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.780 -21.503 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.917 -20.966 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.026 -19.078 0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.637 -18.920 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.411 -18.762 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.123 -18.963 -0.701 1.00 0.00 H new ATOM 68 N ASN A 6 14.913 -22.923 -2.975 1.00 0.00 N ATOM 69 CA ASN A 6 15.838 -24.039 -3.328 1.00 0.00 C ATOM 70 C ASN A 6 17.112 -24.017 -2.441 1.00 0.00 C ATOM 71 O ASN A 6 17.293 -23.102 -1.628 1.00 0.00 O ATOM 72 CB ASN A 6 16.218 -23.976 -4.833 1.00 0.00 C ATOM 73 CG ASN A 6 15.074 -24.340 -5.791 1.00 0.00 C ATOM 74 OD1 ASN A 6 13.872 -23.861 -5.536 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 15.286 -25.019 -6.790 1.00 0.00 N flip ATOM 0 H ASN A 6 15.145 -22.041 -3.431 1.00 0.00 H new ATOM 0 HA ASN A 6 15.317 -24.978 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 6 16.565 -22.969 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 6 17.055 -24.651 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.222 -25.381 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 6 14.526 -25.221 -7.440 1.00 0.00 H new ATOM 82 N VAL A 7 18.010 -25.016 -2.635 1.00 0.00 N ATOM 83 CA VAL A 7 19.228 -25.200 -1.784 1.00 0.00 C ATOM 84 C VAL A 7 20.254 -24.048 -1.951 1.00 0.00 C ATOM 85 O VAL A 7 21.143 -23.867 -1.112 1.00 0.00 O ATOM 86 CB VAL A 7 19.928 -26.588 -2.060 1.00 0.00 C ATOM 87 CG1 VAL A 7 18.904 -27.745 -1.945 1.00 0.00 C ATOM 88 CG2 VAL A 7 20.660 -26.612 -3.437 1.00 0.00 C ATOM 0 H VAL A 7 17.918 -25.712 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 7 18.875 -25.183 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 7 20.693 -26.729 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.404 -28.694 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.479 -27.757 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.107 -27.600 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 7 21.127 -27.586 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.940 -26.430 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 7 21.426 -25.836 -3.456 1.00 0.00 H new ATOM 98 N LEU A 8 20.119 -23.292 -3.059 1.00 0.00 N ATOM 99 CA LEU A 8 20.941 -22.093 -3.346 1.00 0.00 C ATOM 100 C LEU A 8 20.602 -20.933 -2.369 1.00 0.00 C ATOM 101 O LEU A 8 21.454 -20.097 -2.050 1.00 0.00 O ATOM 102 CB LEU A 8 20.733 -21.629 -4.822 1.00 0.00 C ATOM 103 CG LEU A 8 21.106 -22.636 -5.972 1.00 0.00 C ATOM 104 CD1 LEU A 8 22.519 -23.235 -5.785 1.00 0.00 C ATOM 105 CD2 LEU A 8 20.035 -23.734 -6.173 1.00 0.00 C ATOM 0 H LEU A 8 19.433 -23.495 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 8 21.987 -22.364 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.684 -21.358 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.316 -20.720 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 8 21.126 -22.053 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.733 -23.924 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.257 -22.433 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 8 22.564 -23.771 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 8 20.344 -24.400 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.923 -24.306 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.083 -23.271 -6.431 1.00 0.00 H new ATOM 117 N GLY A 9 19.336 -20.904 -1.920 1.00 0.00 N ATOM 118 CA GLY A 9 18.837 -19.910 -0.966 1.00 0.00 C ATOM 119 C GLY A 9 18.137 -18.751 -1.670 1.00 0.00 C ATOM 120 O GLY A 9 16.903 -18.713 -1.746 1.00 0.00 O ATOM 0 H GLY A 9 18.628 -21.577 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.143 -20.387 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 9 19.667 -19.527 -0.373 1.00 0.00 H new ATOM 124 N GLN A 10 18.952 -17.835 -2.226 1.00 0.00 N ATOM 125 CA GLN A 10 18.482 -16.655 -2.986 1.00 0.00 C ATOM 126 C GLN A 10 19.660 -15.896 -3.646 1.00 0.00 C ATOM 127 O GLN A 10 20.833 -16.120 -3.313 1.00 0.00 O ATOM 128 CB GLN A 10 17.653 -15.662 -2.112 1.00 0.00 C ATOM 129 CG GLN A 10 18.421 -15.005 -0.943 1.00 0.00 C ATOM 130 CD GLN A 10 17.723 -13.752 -0.410 1.00 0.00 C ATOM 131 OE1 GLN A 10 16.887 -13.816 0.480 1.00 0.00 O ATOM 132 NE2 GLN A 10 18.056 -12.608 -0.968 1.00 0.00 N ATOM 0 H GLN A 10 19.968 -17.892 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 10 17.826 -17.049 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.265 -14.874 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.793 -16.194 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.531 -15.727 -0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.426 -14.743 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.757 -12.587 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.613 -11.742 -0.660 1.00 0.00 H new ATOM 141 N ASP A 11 19.310 -14.975 -4.573 1.00 0.00 N ATOM 142 CA ASP A 11 20.276 -14.148 -5.326 1.00 0.00 C ATOM 143 C ASP A 11 19.578 -12.866 -5.890 1.00 0.00 C ATOM 144 O ASP A 11 18.804 -12.916 -6.849 1.00 0.00 O ATOM 145 CB ASP A 11 20.935 -15.001 -6.454 1.00 0.00 C ATOM 146 CG ASP A 11 19.913 -15.638 -7.416 1.00 0.00 C ATOM 147 OD1 ASP A 11 19.297 -16.650 -7.039 1.00 0.00 O ATOM 148 OD2 ASP A 11 19.710 -15.113 -8.544 1.00 0.00 O ATOM 0 H ASP A 11 18.339 -14.785 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 11 21.067 -13.813 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.616 -14.370 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.535 -15.789 -6.000 1.00 0.00 H new ATOM 153 N LEU A 12 19.837 -11.704 -5.265 1.00 0.00 N ATOM 154 CA LEU A 12 19.207 -10.420 -5.674 1.00 0.00 C ATOM 155 C LEU A 12 20.263 -9.439 -6.221 1.00 0.00 C ATOM 156 O LEU A 12 20.627 -8.447 -5.569 1.00 0.00 O ATOM 157 CB LEU A 12 18.396 -9.817 -4.491 1.00 0.00 C ATOM 158 CG LEU A 12 17.212 -10.702 -3.965 1.00 0.00 C ATOM 159 CD1 LEU A 12 16.474 -10.025 -2.789 1.00 0.00 C ATOM 160 CD2 LEU A 12 16.230 -11.081 -5.108 1.00 0.00 C ATOM 0 H LEU A 12 20.476 -11.620 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 12 18.506 -10.612 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.080 -9.627 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.995 -8.852 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 12 17.646 -11.628 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.661 -10.668 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.172 -9.861 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.068 -9.068 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.423 -11.694 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.813 -10.174 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.764 -11.642 -5.875 1.00 0.00 H new ATOM 172 N GLU A 13 20.787 -9.782 -7.415 1.00 0.00 N ATOM 173 CA GLU A 13 21.743 -8.948 -8.197 1.00 0.00 C ATOM 174 C GLU A 13 21.394 -9.026 -9.701 1.00 0.00 C ATOM 175 O GLU A 13 20.819 -10.027 -10.156 1.00 0.00 O ATOM 176 CB GLU A 13 23.211 -9.427 -7.969 1.00 0.00 C ATOM 177 CG GLU A 13 23.721 -9.244 -6.528 1.00 0.00 C ATOM 178 CD GLU A 13 25.123 -9.825 -6.282 1.00 0.00 C ATOM 179 OE1 GLU A 13 25.232 -11.020 -5.937 1.00 0.00 O ATOM 180 OE2 GLU A 13 26.122 -9.083 -6.414 1.00 0.00 O ATOM 0 H GLU A 13 20.558 -10.662 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 13 21.661 -7.916 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 13 23.282 -10.481 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 13 23.868 -8.882 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 13 23.733 -8.180 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 13 23.018 -9.716 -5.842 1.00 0.00 H new ATOM 187 N VAL A 14 21.745 -7.967 -10.469 1.00 0.00 N ATOM 188 CA VAL A 14 21.443 -7.894 -11.922 1.00 0.00 C ATOM 189 C VAL A 14 22.165 -6.717 -12.626 1.00 0.00 C ATOM 190 O VAL A 14 22.405 -5.660 -12.032 1.00 0.00 O ATOM 191 CB VAL A 14 19.894 -7.810 -12.170 1.00 0.00 C ATOM 192 CG1 VAL A 14 19.271 -6.559 -11.497 1.00 0.00 C ATOM 193 CG2 VAL A 14 19.537 -7.925 -13.680 1.00 0.00 C ATOM 0 H VAL A 14 22.238 -7.150 -10.108 1.00 0.00 H new ATOM 0 HA VAL A 14 21.825 -8.815 -12.363 1.00 0.00 H new ATOM 0 HB VAL A 14 19.441 -8.676 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 14 18.199 -6.537 -11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.444 -6.600 -10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.732 -5.659 -11.904 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.456 -7.862 -13.804 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.013 -7.113 -14.229 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.891 -8.881 -14.066 1.00 0.00 H new ATOM 203 N CYS A 15 22.511 -6.928 -13.913 1.00 0.00 N ATOM 204 CA CYS A 15 23.214 -5.932 -14.750 1.00 0.00 C ATOM 205 C CYS A 15 22.769 -6.002 -16.230 1.00 0.00 C ATOM 206 O CYS A 15 23.232 -5.199 -17.042 1.00 0.00 O ATOM 207 CB CYS A 15 24.737 -6.150 -14.637 1.00 0.00 C ATOM 208 SG CYS A 15 25.382 -5.962 -12.955 1.00 0.00 S ATOM 0 H CYS A 15 22.310 -7.799 -14.404 1.00 0.00 H new ATOM 0 HA CYS A 15 22.955 -4.939 -14.383 1.00 0.00 H new ATOM 0 HB2 CYS A 15 24.979 -7.149 -14.999 1.00 0.00 H new ATOM 0 HB3 CYS A 15 25.245 -5.442 -15.292 1.00 0.00 H new ATOM 0 HG CYS A 15 24.397 -5.747 -12.134 1.00 0.00 H new ATOM 214 N CYS A 16 21.825 -6.926 -16.542 1.00 0.00 N ATOM 215 CA CYS A 16 21.438 -7.319 -17.932 1.00 0.00 C ATOM 216 C CYS A 16 22.622 -7.898 -18.773 1.00 0.00 C ATOM 217 O CYS A 16 23.695 -7.289 -18.844 1.00 0.00 O ATOM 218 CB CYS A 16 20.764 -6.158 -18.697 1.00 0.00 C ATOM 219 SG CYS A 16 20.265 -6.575 -20.383 1.00 0.00 S ATOM 0 H CYS A 16 21.300 -7.430 -15.827 1.00 0.00 H new ATOM 0 HA CYS A 16 20.714 -8.123 -17.803 1.00 0.00 H new ATOM 0 HB2 CYS A 16 19.886 -5.832 -18.140 1.00 0.00 H new ATOM 0 HB3 CYS A 16 21.451 -5.313 -18.732 1.00 0.00 H new ATOM 0 HG CYS A 16 19.709 -5.540 -20.940 1.00 0.00 H new ATOM 225 N CYS A 17 22.404 -9.089 -19.399 1.00 0.00 N ATOM 226 CA CYS A 17 23.372 -9.787 -20.319 1.00 0.00 C ATOM 227 C CYS A 17 24.550 -10.491 -19.585 1.00 0.00 C ATOM 228 O CYS A 17 24.962 -11.591 -19.979 1.00 0.00 O ATOM 229 CB CYS A 17 23.907 -8.854 -21.441 1.00 0.00 C ATOM 230 SG CYS A 17 22.609 -8.164 -22.495 1.00 0.00 S ATOM 0 H CYS A 17 21.534 -9.608 -19.281 1.00 0.00 H new ATOM 0 HA CYS A 17 22.780 -10.576 -20.784 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.466 -8.036 -20.986 1.00 0.00 H new ATOM 0 HB3 CYS A 17 24.608 -9.412 -22.062 1.00 0.00 H new ATOM 0 HG CYS A 17 21.731 -7.551 -21.758 1.00 0.00 H new ATOM 236 N ALA A 18 25.087 -9.850 -18.529 1.00 0.00 N ATOM 237 CA ALA A 18 26.211 -10.384 -17.720 1.00 0.00 C ATOM 238 C ALA A 18 25.811 -11.666 -16.924 1.00 0.00 C ATOM 239 O ALA A 18 24.621 -11.859 -16.629 1.00 0.00 O ATOM 240 CB ALA A 18 26.698 -9.279 -16.757 1.00 0.00 C ATOM 0 H ALA A 18 24.754 -8.941 -18.207 1.00 0.00 H new ATOM 0 HA ALA A 18 27.014 -10.676 -18.397 1.00 0.00 H new ATOM 0 HB1 ALA A 18 27.524 -9.658 -16.156 1.00 0.00 H new ATOM 0 HB2 ALA A 18 27.034 -8.417 -17.333 1.00 0.00 H new ATOM 0 HB3 ALA A 18 25.880 -8.981 -16.102 1.00 0.00 H new ATOM 246 N PRO A 19 26.796 -12.572 -16.568 1.00 0.00 N ATOM 247 CA PRO A 19 26.535 -13.736 -15.672 1.00 0.00 C ATOM 248 C PRO A 19 26.219 -13.317 -14.208 1.00 0.00 C ATOM 249 O PRO A 19 26.086 -12.121 -13.904 1.00 0.00 O ATOM 250 CB PRO A 19 27.851 -14.574 -15.759 1.00 0.00 C ATOM 251 CG PRO A 19 28.578 -14.030 -16.956 1.00 0.00 C ATOM 252 CD PRO A 19 28.207 -12.569 -17.031 1.00 0.00 C ATOM 0 HA PRO A 19 25.651 -14.293 -15.982 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.447 -14.468 -14.853 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.636 -15.636 -15.877 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.656 -14.155 -16.850 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.284 -14.556 -17.865 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.842 -11.956 -16.392 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.301 -12.178 -18.044 1.00 0.00 H new ATOM 260 N MET A 20 26.068 -14.336 -13.319 1.00 0.00 N ATOM 261 CA MET A 20 25.727 -14.168 -11.867 1.00 0.00 C ATOM 262 C MET A 20 24.242 -13.750 -11.637 1.00 0.00 C ATOM 263 O MET A 20 23.767 -13.729 -10.494 1.00 0.00 O ATOM 264 CB MET A 20 26.700 -13.179 -11.145 1.00 0.00 C ATOM 265 CG MET A 20 28.189 -13.567 -11.227 1.00 0.00 C ATOM 266 SD MET A 20 29.280 -12.292 -10.550 1.00 0.00 S ATOM 267 CE MET A 20 28.951 -10.907 -11.653 1.00 0.00 C ATOM 0 H MET A 20 26.180 -15.313 -13.588 1.00 0.00 H new ATOM 0 HA MET A 20 25.855 -15.153 -11.419 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.573 -12.186 -11.576 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.414 -13.110 -10.096 1.00 0.00 H new ATOM 0 HG2 MET A 20 28.348 -14.500 -10.686 1.00 0.00 H new ATOM 0 HG3 MET A 20 28.455 -13.752 -12.268 1.00 0.00 H new ATOM 0 HE1 MET A 20 29.774 -10.194 -11.597 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.855 -11.271 -12.676 1.00 0.00 H new ATOM 0 HE3 MET A 20 28.025 -10.416 -11.354 1.00 0.00 H new ATOM 277 N THR A 21 23.516 -13.440 -12.730 1.00 0.00 N ATOM 278 CA THR A 21 22.084 -13.070 -12.700 1.00 0.00 C ATOM 279 C THR A 21 21.309 -13.882 -13.766 1.00 0.00 C ATOM 280 O THR A 21 21.580 -13.779 -14.968 1.00 0.00 O ATOM 281 CB THR A 21 21.875 -11.525 -12.900 1.00 0.00 C ATOM 282 OG1 THR A 21 20.470 -11.203 -12.927 1.00 0.00 O ATOM 283 CG2 THR A 21 22.561 -10.959 -14.167 1.00 0.00 C ATOM 0 H THR A 21 23.911 -13.439 -13.670 1.00 0.00 H new ATOM 0 HA THR A 21 21.690 -13.316 -11.714 1.00 0.00 H new ATOM 0 HB THR A 21 22.355 -11.050 -12.044 1.00 0.00 H new ATOM 0 HG1 THR A 21 20.242 -10.666 -12.139 1.00 0.00 H new ATOM 0 HG21 THR A 21 22.371 -9.888 -14.236 1.00 0.00 H new ATOM 0 HG22 THR A 21 23.635 -11.134 -14.108 1.00 0.00 H new ATOM 0 HG23 THR A 21 22.160 -11.456 -15.051 1.00 0.00 H new ATOM 291 N GLY A 22 20.368 -14.728 -13.306 1.00 0.00 N ATOM 292 CA GLY A 22 19.633 -15.633 -14.204 1.00 0.00 C ATOM 293 C GLY A 22 18.537 -16.434 -13.506 1.00 0.00 C ATOM 294 O GLY A 22 17.597 -16.903 -14.160 1.00 0.00 O ATOM 0 H GLY A 22 20.101 -14.802 -12.324 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.187 -15.049 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.338 -16.324 -14.665 1.00 0.00 H new ATOM 298 N TRP A 23 18.673 -16.618 -12.177 1.00 0.00 N ATOM 299 CA TRP A 23 17.652 -17.305 -11.357 1.00 0.00 C ATOM 300 C TRP A 23 16.446 -16.360 -11.099 1.00 0.00 C ATOM 301 O TRP A 23 15.362 -16.588 -11.637 1.00 0.00 O ATOM 302 CB TRP A 23 18.289 -17.815 -10.040 1.00 0.00 C ATOM 303 CG TRP A 23 17.373 -18.666 -9.178 1.00 0.00 C ATOM 304 CD1 TRP A 23 16.603 -18.254 -8.123 1.00 0.00 C ATOM 305 CD2 TRP A 23 17.145 -20.076 -9.305 1.00 0.00 C ATOM 306 NE1 TRP A 23 15.916 -19.314 -7.593 1.00 0.00 N ATOM 307 CE2 TRP A 23 16.231 -20.443 -8.301 1.00 0.00 C ATOM 308 CE3 TRP A 23 17.628 -21.062 -10.171 1.00 0.00 C ATOM 309 CZ2 TRP A 23 15.790 -21.750 -8.139 1.00 0.00 C ATOM 310 CZ3 TRP A 23 17.187 -22.361 -10.012 1.00 0.00 C ATOM 311 CH2 TRP A 23 16.275 -22.696 -9.003 1.00 0.00 C ATOM 0 H TRP A 23 19.483 -16.299 -11.646 1.00 0.00 H new ATOM 0 HA TRP A 23 17.272 -18.173 -11.896 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.178 -18.396 -10.284 1.00 0.00 H new ATOM 0 HB3 TRP A 23 18.620 -16.956 -9.456 1.00 0.00 H new ATOM 0 HD1 TRP A 23 16.546 -17.238 -7.761 1.00 0.00 H new ATOM 0 HE1 TRP A 23 15.275 -19.270 -6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 23 18.333 -20.812 -10.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.090 -22.011 -7.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 17.551 -23.131 -10.676 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.948 -23.720 -8.904 1.00 0.00 H new ATOM 322 N TYR A 24 16.630 -15.304 -10.273 1.00 0.00 N ATOM 323 CA TYR A 24 15.587 -14.255 -10.085 1.00 0.00 C ATOM 324 C TYR A 24 15.653 -13.194 -11.211 1.00 0.00 C ATOM 325 O TYR A 24 14.656 -12.965 -11.917 1.00 0.00 O ATOM 326 CB TYR A 24 15.720 -13.575 -8.696 1.00 0.00 C ATOM 327 CG TYR A 24 15.366 -14.496 -7.520 1.00 0.00 C ATOM 328 CD1 TYR A 24 14.063 -14.980 -7.352 1.00 0.00 C ATOM 329 CD2 TYR A 24 16.322 -14.879 -6.582 1.00 0.00 C ATOM 330 CE1 TYR A 24 13.742 -15.811 -6.295 1.00 0.00 C ATOM 331 CE2 TYR A 24 16.001 -15.705 -5.529 1.00 0.00 C ATOM 332 CZ TYR A 24 14.713 -16.168 -5.388 1.00 0.00 C ATOM 333 OH TYR A 24 14.400 -16.998 -4.334 1.00 0.00 O ATOM 0 H TYR A 24 17.479 -15.152 -9.729 1.00 0.00 H new ATOM 0 HA TYR A 24 14.616 -14.747 -10.134 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.743 -13.220 -8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 24 15.072 -12.699 -8.667 1.00 0.00 H new ATOM 0 HD1 TYR A 24 13.297 -14.700 -8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.336 -14.520 -6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.733 -16.179 -6.182 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.759 -15.989 -4.814 1.00 0.00 H new ATOM 0 HH TYR A 24 15.200 -17.151 -3.789 1.00 0.00 H new ATOM 343 N ARG A 25 16.844 -12.554 -11.339 1.00 0.00 N ATOM 344 CA ARG A 25 17.164 -11.508 -12.353 1.00 0.00 C ATOM 345 C ARG A 25 16.462 -10.143 -12.055 1.00 0.00 C ATOM 346 O ARG A 25 17.126 -9.125 -11.940 1.00 0.00 O ATOM 347 CB ARG A 25 16.864 -11.991 -13.801 1.00 0.00 C ATOM 348 CG ARG A 25 17.459 -11.105 -14.921 1.00 0.00 C ATOM 349 CD ARG A 25 16.989 -11.529 -16.329 1.00 0.00 C ATOM 350 NE ARG A 25 17.136 -12.980 -16.575 1.00 0.00 N ATOM 351 CZ ARG A 25 18.222 -13.602 -16.994 1.00 0.00 C ATOM 352 NH1 ARG A 25 19.343 -12.977 -17.184 1.00 0.00 N ATOM 353 NH2 ARG A 25 18.169 -14.876 -17.198 1.00 0.00 N ATOM 0 H ARG A 25 17.632 -12.755 -10.724 1.00 0.00 H new ATOM 0 HA ARG A 25 18.237 -11.334 -12.277 1.00 0.00 H new ATOM 0 HB2 ARG A 25 17.248 -13.004 -13.917 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.783 -12.043 -13.934 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.177 -10.067 -14.746 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.547 -11.152 -14.876 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.943 -11.249 -16.457 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.560 -10.980 -17.077 1.00 0.00 H new ATOM 0 HE ARG A 25 16.314 -13.559 -16.403 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.404 -11.974 -17.009 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.164 -13.489 -17.509 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.299 -15.383 -17.035 1.00 0.00 H new ATOM 0 HH22 ARG A 25 18.997 -15.376 -17.522 1.00 0.00 H new ATOM 367 N ASN A 26 15.114 -10.144 -11.963 1.00 0.00 N ATOM 368 CA ASN A 26 14.272 -8.957 -11.580 1.00 0.00 C ATOM 369 C ASN A 26 14.187 -7.877 -12.709 1.00 0.00 C ATOM 370 O ASN A 26 13.672 -6.776 -12.481 1.00 0.00 O ATOM 371 CB ASN A 26 14.739 -8.315 -10.227 1.00 0.00 C ATOM 372 CG ASN A 26 14.797 -9.314 -9.062 1.00 0.00 C ATOM 373 OD1 ASN A 26 13.822 -9.521 -8.357 1.00 0.00 O ATOM 374 ND2 ASN A 26 15.950 -9.924 -8.844 1.00 0.00 N ATOM 0 H ASN A 26 14.558 -10.977 -12.153 1.00 0.00 H new ATOM 0 HA ASN A 26 13.264 -9.347 -11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.726 -7.873 -10.365 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.060 -7.503 -9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.039 -10.585 -8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.750 -9.734 -9.448 1.00 0.00 H new ATOM 381 N GLY A 27 14.663 -8.220 -13.929 1.00 0.00 N ATOM 382 CA GLY A 27 14.575 -7.327 -15.109 1.00 0.00 C ATOM 383 C GLY A 27 15.404 -6.034 -15.015 1.00 0.00 C ATOM 384 O GLY A 27 14.968 -4.981 -15.502 1.00 0.00 O ATOM 0 H GLY A 27 15.114 -9.114 -14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.897 -7.883 -15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.530 -7.059 -15.265 1.00 0.00 H new ATOM 388 N PHE A 28 16.599 -6.134 -14.391 1.00 0.00 N ATOM 389 CA PHE A 28 17.539 -5.001 -14.159 1.00 0.00 C ATOM 390 C PHE A 28 16.916 -3.907 -13.237 1.00 0.00 C ATOM 391 O PHE A 28 17.198 -3.862 -12.029 1.00 0.00 O ATOM 392 CB PHE A 28 18.112 -4.436 -15.499 1.00 0.00 C ATOM 393 CG PHE A 28 19.143 -3.315 -15.323 1.00 0.00 C ATOM 394 CD1 PHE A 28 20.322 -3.544 -14.616 1.00 0.00 C ATOM 395 CD2 PHE A 28 18.929 -2.036 -15.848 1.00 0.00 C ATOM 396 CE1 PHE A 28 21.254 -2.535 -14.439 1.00 0.00 C ATOM 397 CE2 PHE A 28 19.862 -1.027 -15.668 1.00 0.00 C ATOM 398 CZ PHE A 28 21.023 -1.277 -14.963 1.00 0.00 C ATOM 0 H PHE A 28 16.949 -7.019 -14.025 1.00 0.00 H new ATOM 0 HA PHE A 28 18.397 -5.392 -13.613 1.00 0.00 H new ATOM 0 HB2 PHE A 28 18.572 -5.252 -16.056 1.00 0.00 H new ATOM 0 HB3 PHE A 28 17.286 -4.062 -16.104 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.512 -4.523 -14.200 1.00 0.00 H new ATOM 0 HD2 PHE A 28 18.024 -1.832 -16.401 1.00 0.00 H new ATOM 0 HE1 PHE A 28 22.163 -2.732 -13.890 1.00 0.00 H new ATOM 0 HE2 PHE A 28 19.681 -0.045 -16.079 1.00 0.00 H new ATOM 0 HZ PHE A 28 21.749 -0.491 -14.821 1.00 0.00 H new ATOM 408 N CYS A 29 16.059 -3.041 -13.804 1.00 0.00 N ATOM 409 CA CYS A 29 15.280 -2.057 -13.029 1.00 0.00 C ATOM 410 C CYS A 29 13.841 -2.605 -12.804 1.00 0.00 C ATOM 411 O CYS A 29 13.584 -3.308 -11.820 1.00 0.00 O ATOM 412 CB CYS A 29 15.281 -0.676 -13.743 1.00 0.00 C ATOM 413 SG CYS A 29 16.921 0.063 -13.936 1.00 0.00 S ATOM 0 H CYS A 29 15.886 -3.002 -14.809 1.00 0.00 H new ATOM 0 HA CYS A 29 15.740 -1.905 -12.053 1.00 0.00 H new ATOM 0 HB2 CYS A 29 14.829 -0.789 -14.728 1.00 0.00 H new ATOM 0 HB3 CYS A 29 14.650 0.011 -13.180 1.00 0.00 H new ATOM 0 HG CYS A 29 17.666 -0.717 -14.661 1.00 0.00 H new ATOM 419 N GLN A 30 12.916 -2.296 -13.738 1.00 0.00 N ATOM 420 CA GLN A 30 11.510 -2.783 -13.724 1.00 0.00 C ATOM 421 C GLN A 30 11.126 -3.196 -15.157 1.00 0.00 C ATOM 422 O GLN A 30 10.804 -4.353 -15.435 1.00 0.00 O ATOM 423 CB GLN A 30 10.504 -1.686 -13.227 1.00 0.00 C ATOM 424 CG GLN A 30 10.521 -1.360 -11.715 1.00 0.00 C ATOM 425 CD GLN A 30 11.715 -0.539 -11.206 1.00 0.00 C ATOM 426 OE1 GLN A 30 12.129 -0.677 -10.063 1.00 0.00 O ATOM 427 NE2 GLN A 30 12.270 0.329 -12.029 1.00 0.00 N ATOM 0 H GLN A 30 13.122 -1.694 -14.535 1.00 0.00 H new ATOM 0 HA GLN A 30 11.450 -3.624 -13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.706 -0.766 -13.775 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.496 -2.002 -13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.606 -0.819 -11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.492 -2.299 -11.163 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.913 0.432 -12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.057 0.898 -11.716 1.00 0.00 H new ATOM 436 N THR A 31 11.179 -2.193 -16.045 1.00 0.00 N ATOM 437 CA THR A 31 10.881 -2.317 -17.483 1.00 0.00 C ATOM 438 C THR A 31 11.555 -1.141 -18.233 1.00 0.00 C ATOM 439 O THR A 31 12.092 -1.315 -19.331 1.00 0.00 O ATOM 440 CB THR A 31 9.329 -2.358 -17.762 1.00 0.00 C ATOM 441 OG1 THR A 31 9.078 -2.412 -19.177 1.00 0.00 O ATOM 442 CG2 THR A 31 8.572 -1.157 -17.145 1.00 0.00 C ATOM 0 H THR A 31 11.438 -1.244 -15.776 1.00 0.00 H new ATOM 0 HA THR A 31 11.282 -3.263 -17.847 1.00 0.00 H new ATOM 0 HB THR A 31 8.951 -3.260 -17.280 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.112 -2.439 -19.337 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.509 -1.242 -17.371 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.714 -1.154 -16.064 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.959 -0.228 -17.565 1.00 0.00 H new ATOM 450 N ASP A 32 11.500 0.052 -17.585 1.00 0.00 N ATOM 451 CA ASP A 32 12.289 1.258 -17.923 1.00 0.00 C ATOM 452 C ASP A 32 11.865 1.916 -19.268 1.00 0.00 C ATOM 453 O ASP A 32 11.775 1.253 -20.302 1.00 0.00 O ATOM 454 CB ASP A 32 13.815 0.958 -17.885 1.00 0.00 C ATOM 455 CG ASP A 32 14.660 2.230 -17.716 1.00 0.00 C ATOM 456 OD1 ASP A 32 15.043 2.851 -18.729 1.00 0.00 O ATOM 457 OD2 ASP A 32 14.911 2.636 -16.557 1.00 0.00 O ATOM 0 H ASP A 32 10.883 0.202 -16.787 1.00 0.00 H new ATOM 0 HA ASP A 32 12.068 1.996 -17.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.027 0.273 -17.064 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.106 0.452 -18.806 1.00 0.00 H new ATOM 462 N VAL A 33 11.637 3.243 -19.235 1.00 0.00 N ATOM 463 CA VAL A 33 11.115 4.019 -20.395 1.00 0.00 C ATOM 464 C VAL A 33 12.266 4.697 -21.217 1.00 0.00 C ATOM 465 O VAL A 33 12.024 5.226 -22.307 1.00 0.00 O ATOM 466 CB VAL A 33 10.078 5.107 -19.887 1.00 0.00 C ATOM 467 CG1 VAL A 33 9.341 5.817 -21.059 1.00 0.00 C ATOM 468 CG2 VAL A 33 9.060 4.488 -18.890 1.00 0.00 C ATOM 0 H VAL A 33 11.807 3.814 -18.407 1.00 0.00 H new ATOM 0 HA VAL A 33 10.613 3.322 -21.066 1.00 0.00 H new ATOM 0 HB VAL A 33 10.655 5.869 -19.363 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.643 6.552 -20.658 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.069 6.318 -21.696 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.794 5.079 -21.645 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.362 5.257 -18.559 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.510 3.686 -19.383 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.593 4.086 -18.028 1.00 0.00 H new ATOM 478 N GLN A 34 13.504 4.673 -20.666 1.00 0.00 N ATOM 479 CA GLN A 34 14.750 5.302 -21.236 1.00 0.00 C ATOM 480 C GLN A 34 14.758 6.862 -21.139 1.00 0.00 C ATOM 481 O GLN A 34 15.813 7.466 -20.907 1.00 0.00 O ATOM 482 CB GLN A 34 15.120 4.793 -22.686 1.00 0.00 C ATOM 483 CG GLN A 34 14.637 5.665 -23.871 1.00 0.00 C ATOM 484 CD GLN A 34 15.051 5.143 -25.251 1.00 0.00 C ATOM 485 OE1 GLN A 34 16.085 4.505 -25.408 1.00 0.00 O ATOM 486 NE2 GLN A 34 14.260 5.440 -26.265 1.00 0.00 N ATOM 0 H GLN A 34 13.683 4.201 -19.780 1.00 0.00 H new ATOM 0 HA GLN A 34 15.550 4.949 -20.586 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.204 4.703 -22.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.709 3.791 -22.811 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.550 5.737 -23.834 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.027 6.675 -23.746 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.405 5.973 -26.106 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.504 5.137 -27.208 1.00 0.00 H new ATOM 495 N ASP A 35 13.589 7.513 -21.322 1.00 0.00 N ATOM 496 CA ASP A 35 13.405 8.967 -21.084 1.00 0.00 C ATOM 497 C ASP A 35 12.769 9.217 -19.686 1.00 0.00 C ATOM 498 O ASP A 35 11.911 10.099 -19.528 1.00 0.00 O ATOM 499 CB ASP A 35 12.528 9.566 -22.216 1.00 0.00 C ATOM 500 CG ASP A 35 13.184 9.443 -23.599 1.00 0.00 C ATOM 501 OD1 ASP A 35 14.015 10.308 -23.955 1.00 0.00 O ATOM 502 OD2 ASP A 35 12.887 8.478 -24.332 1.00 0.00 O ATOM 0 H ASP A 35 12.740 7.045 -21.640 1.00 0.00 H new ATOM 0 HA ASP A 35 14.376 9.462 -21.094 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.563 9.060 -22.229 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.334 10.617 -22.002 1.00 0.00 H new ATOM 507 N ARG A 36 13.235 8.433 -18.682 1.00 0.00 N ATOM 508 CA ARG A 36 12.767 8.464 -17.263 1.00 0.00 C ATOM 509 C ARG A 36 11.319 7.923 -17.084 1.00 0.00 C ATOM 510 O ARG A 36 10.477 8.028 -17.983 1.00 0.00 O ATOM 511 CB ARG A 36 12.922 9.873 -16.611 1.00 0.00 C ATOM 512 CG ARG A 36 14.377 10.396 -16.570 1.00 0.00 C ATOM 513 CD ARG A 36 14.499 11.758 -15.870 1.00 0.00 C ATOM 514 NE ARG A 36 15.875 12.300 -15.918 1.00 0.00 N ATOM 515 CZ ARG A 36 16.285 13.384 -15.291 1.00 0.00 C ATOM 516 NH1 ARG A 36 15.503 14.039 -14.486 1.00 0.00 N ATOM 517 NH2 ARG A 36 17.493 13.799 -15.472 1.00 0.00 N ATOM 0 H ARG A 36 13.968 7.740 -18.836 1.00 0.00 H new ATOM 0 HA ARG A 36 13.429 7.781 -16.731 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.307 10.585 -17.161 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.533 9.835 -15.594 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.005 9.670 -16.054 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.757 10.480 -17.588 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.817 12.466 -16.340 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.188 11.657 -14.830 1.00 0.00 H new ATOM 0 HE ARG A 36 16.560 11.795 -16.480 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.548 13.717 -14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.844 14.876 -14.012 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.119 13.289 -16.095 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.822 14.637 -14.992 1.00 0.00 H new ATOM 531 N GLY A 37 11.061 7.335 -15.903 1.00 0.00 N ATOM 532 CA GLY A 37 9.756 6.747 -15.571 1.00 0.00 C ATOM 533 C GLY A 37 9.878 5.605 -14.553 1.00 0.00 C ATOM 534 O GLY A 37 10.189 5.857 -13.384 1.00 0.00 O ATOM 0 H GLY A 37 11.750 7.255 -15.155 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.102 7.521 -15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.286 6.372 -16.480 1.00 0.00 H new ATOM 538 N SER A 38 9.592 4.354 -14.998 1.00 0.00 N ATOM 539 CA SER A 38 9.772 3.102 -14.193 1.00 0.00 C ATOM 540 C SER A 38 8.881 3.019 -12.914 1.00 0.00 C ATOM 541 O SER A 38 9.025 2.083 -12.110 1.00 0.00 O ATOM 542 CB SER A 38 11.272 2.891 -13.836 1.00 0.00 C ATOM 543 OG SER A 38 12.054 2.692 -15.005 1.00 0.00 O ATOM 0 H SER A 38 9.226 4.177 -15.934 1.00 0.00 H new ATOM 0 HA SER A 38 9.429 2.291 -14.835 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.644 3.758 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.374 2.030 -13.176 1.00 0.00 H new ATOM 0 HG SER A 38 11.866 3.406 -15.649 1.00 0.00 H new ATOM 549 N HIS A 39 7.934 3.968 -12.761 1.00 0.00 N ATOM 550 CA HIS A 39 7.029 4.033 -11.594 1.00 0.00 C ATOM 551 C HIS A 39 5.792 3.135 -11.831 1.00 0.00 C ATOM 552 O HIS A 39 4.750 3.592 -12.316 1.00 0.00 O ATOM 553 CB HIS A 39 6.612 5.505 -11.317 1.00 0.00 C ATOM 554 CG HIS A 39 7.779 6.425 -11.066 1.00 0.00 C ATOM 555 ND1 HIS A 39 8.872 6.271 -10.285 1.00 0.00 N flip ATOM 556 CD2 HIS A 39 7.913 7.664 -11.655 1.00 0.00 C flip ATOM 557 CE1 HIS A 39 9.632 7.403 -10.422 1.00 0.00 C flip ATOM 558 NE2 HIS A 39 9.031 8.225 -11.253 1.00 0.00 N flip ATOM 0 H HIS A 39 7.775 4.710 -13.442 1.00 0.00 H new ATOM 0 HA HIS A 39 7.554 3.662 -10.714 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.042 5.879 -12.168 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.948 5.529 -10.453 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.207 8.106 -12.342 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.573 7.590 -9.927 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.374 9.142 -11.537 1.00 0.00 H new ATOM 567 N THR A 40 5.941 1.838 -11.515 1.00 0.00 N ATOM 568 CA THR A 40 4.901 0.811 -11.771 1.00 0.00 C ATOM 569 C THR A 40 4.646 -0.041 -10.498 1.00 0.00 C ATOM 570 O THR A 40 5.452 -0.893 -10.136 1.00 0.00 O ATOM 571 CB THR A 40 5.305 -0.097 -13.003 1.00 0.00 C ATOM 572 OG1 THR A 40 4.356 -1.154 -13.193 1.00 0.00 O ATOM 573 CG2 THR A 40 6.725 -0.690 -12.891 1.00 0.00 C ATOM 0 H THR A 40 6.783 1.466 -11.075 1.00 0.00 H new ATOM 0 HA THR A 40 3.969 1.317 -12.023 1.00 0.00 H new ATOM 0 HB THR A 40 5.301 0.564 -13.869 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.315 -1.706 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.935 -1.301 -13.769 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.453 0.119 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.792 -1.307 -11.995 1.00 0.00 H new ATOM 581 N VAL A 41 3.523 0.228 -9.792 1.00 0.00 N ATOM 582 CA VAL A 41 3.163 -0.477 -8.529 1.00 0.00 C ATOM 583 C VAL A 41 1.647 -0.804 -8.507 1.00 0.00 C ATOM 584 O VAL A 41 0.821 0.096 -8.434 1.00 0.00 O ATOM 585 CB VAL A 41 3.518 0.378 -7.235 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.133 -0.379 -5.930 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.012 0.805 -7.203 1.00 0.00 C ATOM 0 H VAL A 41 2.843 0.933 -10.075 1.00 0.00 H new ATOM 0 HA VAL A 41 3.751 -1.394 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 41 2.921 1.288 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.389 0.233 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.062 -0.580 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.679 -1.321 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.205 1.386 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.644 -0.083 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.236 1.412 -8.080 1.00 0.00 H new ATOM 597 N CYS A 42 1.290 -2.094 -8.584 1.00 0.00 N ATOM 598 CA CYS A 42 -0.107 -2.544 -8.386 1.00 0.00 C ATOM 599 C CYS A 42 -0.243 -3.119 -6.965 1.00 0.00 C ATOM 600 O CYS A 42 0.198 -4.234 -6.690 1.00 0.00 O ATOM 601 CB CYS A 42 -0.500 -3.608 -9.435 1.00 0.00 C ATOM 602 SG CYS A 42 -0.451 -3.023 -11.145 1.00 0.00 S ATOM 0 H CYS A 42 1.946 -2.850 -8.782 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.779 -1.695 -8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.170 -4.463 -9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.506 -3.964 -9.214 1.00 0.00 H new ATOM 0 HG CYS A 42 0.784 -2.831 -11.503 1.00 0.00 H new ATOM 608 N ALA A 43 -0.903 -2.359 -6.086 1.00 0.00 N ATOM 609 CA ALA A 43 -1.049 -2.709 -4.657 1.00 0.00 C ATOM 610 C ALA A 43 -2.478 -2.373 -4.183 1.00 0.00 C ATOM 611 O ALA A 43 -3.095 -1.432 -4.687 1.00 0.00 O ATOM 612 CB ALA A 43 0.015 -1.959 -3.836 1.00 0.00 C ATOM 0 H ALA A 43 -1.355 -1.480 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.894 -3.778 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.091 -2.216 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.009 -2.245 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.118 -0.885 -3.963 1.00 0.00 H new ATOM 618 N GLU A 44 -3.010 -3.152 -3.231 1.00 0.00 N ATOM 619 CA GLU A 44 -4.423 -3.030 -2.801 1.00 0.00 C ATOM 620 C GLU A 44 -4.532 -2.375 -1.419 1.00 0.00 C ATOM 621 O GLU A 44 -4.080 -2.939 -0.416 1.00 0.00 O ATOM 622 CB GLU A 44 -5.094 -4.431 -2.791 1.00 0.00 C ATOM 623 CG GLU A 44 -5.134 -5.092 -4.181 1.00 0.00 C ATOM 624 CD GLU A 44 -5.753 -6.503 -4.210 1.00 0.00 C ATOM 625 OE1 GLU A 44 -5.519 -7.292 -3.266 1.00 0.00 O ATOM 626 OE2 GLU A 44 -6.441 -6.846 -5.200 1.00 0.00 O ATOM 0 H GLU A 44 -2.487 -3.877 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.942 -2.388 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.554 -5.081 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.111 -4.337 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.698 -4.449 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.117 -5.149 -4.570 1.00 0.00 H new ATOM 633 N MET A 45 -5.101 -1.151 -1.378 1.00 0.00 N ATOM 634 CA MET A 45 -5.466 -0.494 -0.098 1.00 0.00 C ATOM 635 C MET A 45 -6.996 -0.427 0.073 1.00 0.00 C ATOM 636 O MET A 45 -7.720 -0.084 -0.861 1.00 0.00 O ATOM 637 CB MET A 45 -4.826 0.912 0.054 1.00 0.00 C ATOM 638 CG MET A 45 -3.299 0.940 -0.179 1.00 0.00 C ATOM 639 SD MET A 45 -2.485 2.358 0.584 1.00 0.00 S ATOM 640 CE MET A 45 -3.350 3.733 -0.152 1.00 0.00 C ATOM 0 H MET A 45 -5.317 -0.599 -2.208 1.00 0.00 H new ATOM 0 HA MET A 45 -5.057 -1.113 0.700 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.302 1.594 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.037 1.289 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.862 0.023 0.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.102 0.951 -1.251 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.649 4.338 -0.727 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.133 3.359 -0.812 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.797 4.343 0.632 1.00 0.00 H new ATOM 650 N THR A 46 -7.466 -0.715 1.299 1.00 0.00 N ATOM 651 CA THR A 46 -8.906 -0.882 1.607 1.00 0.00 C ATOM 652 C THR A 46 -9.593 0.470 1.863 1.00 0.00 C ATOM 653 O THR A 46 -8.926 1.497 2.052 1.00 0.00 O ATOM 654 CB THR A 46 -9.119 -1.789 2.867 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.453 -1.217 4.010 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.616 -3.229 2.647 1.00 0.00 C ATOM 0 H THR A 46 -6.860 -0.840 2.110 1.00 0.00 H new ATOM 0 HA THR A 46 -9.352 -1.356 0.732 1.00 0.00 H new ATOM 0 HB THR A 46 -10.193 -1.837 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.594 -1.791 4.792 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.787 -3.816 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.155 -3.679 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.550 -3.212 2.422 1.00 0.00 H new ATOM 664 N GLU A 47 -10.938 0.443 1.901 1.00 0.00 N ATOM 665 CA GLU A 47 -11.767 1.646 2.122 1.00 0.00 C ATOM 666 C GLU A 47 -11.472 2.292 3.490 1.00 0.00 C ATOM 667 O GLU A 47 -11.583 3.502 3.640 1.00 0.00 O ATOM 668 CB GLU A 47 -13.273 1.311 1.987 1.00 0.00 C ATOM 669 CG GLU A 47 -14.173 2.544 1.796 1.00 0.00 C ATOM 670 CD GLU A 47 -15.674 2.211 1.778 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.265 2.031 2.867 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.265 2.122 0.679 1.00 0.00 O ATOM 0 H GLU A 47 -11.482 -0.411 1.780 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.506 2.371 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.411 0.639 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.596 0.772 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.976 3.255 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.907 3.037 0.861 1.00 0.00 H new ATOM 679 N GLU A 48 -11.084 1.451 4.470 1.00 0.00 N ATOM 680 CA GLU A 48 -10.640 1.890 5.801 1.00 0.00 C ATOM 681 C GLU A 48 -9.565 3.009 5.703 1.00 0.00 C ATOM 682 O GLU A 48 -9.748 4.108 6.238 1.00 0.00 O ATOM 683 CB GLU A 48 -10.077 0.657 6.552 1.00 0.00 C ATOM 684 CG GLU A 48 -9.454 0.936 7.929 1.00 0.00 C ATOM 685 CD GLU A 48 -10.469 1.373 9.002 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.129 0.491 9.600 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.626 2.591 9.248 1.00 0.00 O ATOM 0 H GLU A 48 -11.071 0.438 4.354 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.486 2.311 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.883 -0.066 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.322 0.186 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.942 0.037 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.697 1.713 7.823 1.00 0.00 H new ATOM 694 N PHE A 49 -8.464 2.739 4.970 1.00 0.00 N ATOM 695 CA PHE A 49 -7.365 3.712 4.834 1.00 0.00 C ATOM 696 C PHE A 49 -7.705 4.864 3.854 1.00 0.00 C ATOM 697 O PHE A 49 -7.303 6.002 4.092 1.00 0.00 O ATOM 698 CB PHE A 49 -6.036 3.040 4.416 1.00 0.00 C ATOM 699 CG PHE A 49 -4.873 4.033 4.406 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.493 4.681 5.584 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.208 4.369 3.231 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.482 5.616 5.583 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.197 5.314 3.235 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.833 5.936 4.409 1.00 0.00 C ATOM 0 H PHE A 49 -8.315 1.863 4.469 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.236 4.143 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.810 2.224 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.147 2.601 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.999 4.445 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.484 3.887 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.196 6.100 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.691 5.565 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.042 6.672 4.410 1.00 0.00 H new ATOM 714 N LEU A 50 -8.416 4.574 2.749 1.00 0.00 N ATOM 715 CA LEU A 50 -8.747 5.611 1.729 1.00 0.00 C ATOM 716 C LEU A 50 -9.737 6.676 2.290 1.00 0.00 C ATOM 717 O LEU A 50 -9.643 7.864 1.951 1.00 0.00 O ATOM 718 CB LEU A 50 -9.260 4.942 0.416 1.00 0.00 C ATOM 719 CG LEU A 50 -8.162 4.431 -0.570 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.231 3.402 0.083 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.809 3.873 -1.856 1.00 0.00 C ATOM 0 H LEU A 50 -8.773 3.644 2.532 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.834 6.153 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.897 4.100 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.888 5.660 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.539 5.284 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.484 3.076 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.732 3.855 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.814 2.543 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.030 3.521 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.469 3.044 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.385 4.659 -2.344 1.00 0.00 H new ATOM 733 N LEU A 51 -10.649 6.239 3.178 1.00 0.00 N ATOM 734 CA LEU A 51 -11.530 7.148 3.954 1.00 0.00 C ATOM 735 C LEU A 51 -10.736 7.894 5.056 1.00 0.00 C ATOM 736 O LEU A 51 -11.149 8.960 5.486 1.00 0.00 O ATOM 737 CB LEU A 51 -12.745 6.398 4.572 1.00 0.00 C ATOM 738 CG LEU A 51 -13.778 5.786 3.567 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.971 5.147 4.317 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.261 6.827 2.531 1.00 0.00 C ATOM 0 H LEU A 51 -10.800 5.251 3.381 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.920 7.884 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.364 5.593 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.275 7.090 5.226 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.265 4.998 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.673 4.730 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.607 4.354 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.474 5.907 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.976 6.361 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.740 7.659 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.408 7.196 1.961 1.00 0.00 H new ATOM 752 N PHE A 52 -9.646 7.288 5.559 1.00 0.00 N ATOM 753 CA PHE A 52 -8.719 7.965 6.504 1.00 0.00 C ATOM 754 C PHE A 52 -7.828 9.030 5.786 1.00 0.00 C ATOM 755 O PHE A 52 -7.500 10.073 6.367 1.00 0.00 O ATOM 756 CB PHE A 52 -7.838 6.909 7.230 1.00 0.00 C ATOM 757 CG PHE A 52 -6.872 7.500 8.262 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.361 8.239 9.343 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.487 7.339 8.147 1.00 0.00 C ATOM 760 CE1 PHE A 52 -6.502 8.796 10.270 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.631 7.897 9.081 1.00 0.00 C ATOM 762 CZ PHE A 52 -5.139 8.626 10.140 1.00 0.00 C ATOM 0 H PHE A 52 -9.379 6.330 5.331 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.321 8.497 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.488 6.190 7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.264 6.357 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.426 8.376 9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.081 6.774 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.898 9.365 11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.564 7.762 8.982 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.469 9.063 10.866 1.00 0.00 H new ATOM 772 N SER A 53 -7.453 8.760 4.516 1.00 0.00 N ATOM 773 CA SER A 53 -6.522 9.628 3.733 1.00 0.00 C ATOM 774 C SER A 53 -7.129 11.013 3.413 1.00 0.00 C ATOM 775 O SER A 53 -6.400 12.004 3.303 1.00 0.00 O ATOM 776 CB SER A 53 -6.091 8.930 2.419 1.00 0.00 C ATOM 777 OG SER A 53 -5.302 7.775 2.670 1.00 0.00 O ATOM 0 H SER A 53 -7.780 7.943 4.001 1.00 0.00 H new ATOM 0 HA SER A 53 -5.647 9.789 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.977 8.649 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.526 9.630 1.804 1.00 0.00 H new ATOM 0 HG SER A 53 -5.842 7.105 3.139 1.00 0.00 H new ATOM 783 N ARG A 54 -8.466 11.063 3.255 1.00 0.00 N ATOM 784 CA ARG A 54 -9.204 12.324 2.997 1.00 0.00 C ATOM 785 C ARG A 54 -9.222 13.240 4.253 1.00 0.00 C ATOM 786 O ARG A 54 -9.323 14.462 4.132 1.00 0.00 O ATOM 787 CB ARG A 54 -10.654 12.016 2.527 1.00 0.00 C ATOM 788 CG ARG A 54 -11.527 11.329 3.592 1.00 0.00 C ATOM 789 CD ARG A 54 -12.919 10.926 3.093 1.00 0.00 C ATOM 790 NE ARG A 54 -13.677 10.225 4.151 1.00 0.00 N ATOM 791 CZ ARG A 54 -14.970 9.997 4.143 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.724 10.437 3.187 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.503 9.322 5.109 1.00 0.00 N ATOM 0 H ARG A 54 -9.065 10.239 3.301 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.683 12.860 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.133 12.948 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.611 11.380 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.010 10.440 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.638 12.000 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.467 11.813 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.824 10.280 2.220 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.150 9.889 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.316 10.972 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.726 10.249 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.920 8.972 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.507 9.140 5.111 1.00 0.00 H new ATOM 807 N ASP A 55 -9.135 12.630 5.457 1.00 0.00 N ATOM 808 CA ASP A 55 -9.043 13.384 6.730 1.00 0.00 C ATOM 809 C ASP A 55 -7.618 13.954 6.910 1.00 0.00 C ATOM 810 O ASP A 55 -7.437 15.046 7.459 1.00 0.00 O ATOM 811 CB ASP A 55 -9.394 12.471 7.930 1.00 0.00 C ATOM 812 CG ASP A 55 -10.741 11.752 7.765 1.00 0.00 C ATOM 813 OD1 ASP A 55 -11.773 12.430 7.539 1.00 0.00 O ATOM 814 OD2 ASP A 55 -10.775 10.513 7.852 1.00 0.00 O ATOM 0 H ASP A 55 -9.127 11.617 5.574 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.757 14.207 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.606 11.729 8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.418 13.070 8.840 1.00 0.00 H new ATOM 819 N ARG A 56 -6.613 13.191 6.432 1.00 0.00 N ATOM 820 CA ARG A 56 -5.197 13.598 6.451 1.00 0.00 C ATOM 821 C ARG A 56 -4.898 14.547 5.253 1.00 0.00 C ATOM 822 O ARG A 56 -4.448 14.114 4.186 1.00 0.00 O ATOM 823 CB ARG A 56 -4.284 12.328 6.431 1.00 0.00 C ATOM 824 CG ARG A 56 -2.772 12.614 6.584 1.00 0.00 C ATOM 825 CD ARG A 56 -1.897 11.344 6.549 1.00 0.00 C ATOM 826 NE ARG A 56 -0.465 11.679 6.673 1.00 0.00 N ATOM 827 CZ ARG A 56 0.534 10.832 6.602 1.00 0.00 C ATOM 828 NH1 ARG A 56 0.334 9.565 6.482 1.00 0.00 N ATOM 829 NH2 ARG A 56 1.748 11.264 6.668 1.00 0.00 N ATOM 0 H ARG A 56 -6.765 12.270 6.020 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.984 14.149 7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.596 11.661 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.446 11.796 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.455 13.286 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.603 13.136 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.188 10.676 7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.068 10.807 5.616 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.231 12.659 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.618 9.201 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.127 8.926 6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.929 12.262 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.527 10.607 6.613 1.00 0.00 H new ATOM 843 N GLY A 57 -5.212 15.845 5.432 1.00 0.00 N ATOM 844 CA GLY A 57 -4.955 16.877 4.405 1.00 0.00 C ATOM 845 C GLY A 57 -6.235 17.533 3.861 1.00 0.00 C ATOM 846 O GLY A 57 -6.617 18.620 4.304 1.00 0.00 O ATOM 0 H GLY A 57 -5.646 16.206 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.313 17.649 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.407 16.426 3.577 1.00 0.00 H new ATOM 850 N ASN A 58 -6.899 16.864 2.890 1.00 0.00 N ATOM 851 CA ASN A 58 -8.111 17.400 2.207 1.00 0.00 C ATOM 852 C ASN A 58 -8.975 16.255 1.613 1.00 0.00 C ATOM 853 O ASN A 58 -8.442 15.223 1.180 1.00 0.00 O ATOM 854 CB ASN A 58 -7.713 18.413 1.098 1.00 0.00 C ATOM 855 CG ASN A 58 -6.827 17.790 0.013 1.00 0.00 C ATOM 856 OD1 ASN A 58 -7.312 17.300 -0.998 1.00 0.00 O ATOM 857 ND2 ASN A 58 -5.525 17.778 0.229 1.00 0.00 N ATOM 0 H ASN A 58 -6.616 15.943 2.556 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.711 17.921 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.616 18.813 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.187 19.253 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.898 17.354 -0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.145 18.193 1.080 1.00 0.00 H new ATOM 864 N ASP A 59 -10.307 16.470 1.558 1.00 0.00 N ATOM 865 CA ASP A 59 -11.297 15.441 1.136 1.00 0.00 C ATOM 866 C ASP A 59 -11.585 15.456 -0.402 1.00 0.00 C ATOM 867 O ASP A 59 -12.726 15.260 -0.845 1.00 0.00 O ATOM 868 CB ASP A 59 -12.598 15.603 1.981 1.00 0.00 C ATOM 869 CG ASP A 59 -13.314 16.950 1.774 1.00 0.00 C ATOM 870 OD1 ASP A 59 -12.773 17.996 2.204 1.00 0.00 O ATOM 871 OD2 ASP A 59 -14.417 16.972 1.183 1.00 0.00 O ATOM 0 H ASP A 59 -10.733 17.363 1.805 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.866 14.459 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.285 14.795 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.350 15.493 3.037 1.00 0.00 H new ATOM 876 N LEU A 60 -10.512 15.626 -1.213 1.00 0.00 N ATOM 877 CA LEU A 60 -10.584 15.502 -2.697 1.00 0.00 C ATOM 878 C LEU A 60 -10.911 14.030 -3.074 1.00 0.00 C ATOM 879 O LEU A 60 -11.703 13.781 -3.992 1.00 0.00 O ATOM 880 CB LEU A 60 -9.237 15.987 -3.352 1.00 0.00 C ATOM 881 CG LEU A 60 -9.264 16.473 -4.854 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.481 15.331 -5.871 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.306 17.594 -5.048 1.00 0.00 C ATOM 0 H LEU A 60 -9.580 15.851 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.379 16.139 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.849 16.805 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.520 15.169 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.271 16.872 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.488 15.740 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.674 14.604 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.434 14.842 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.307 17.913 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.295 17.221 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.053 18.440 -4.409 1.00 0.00 H new ATOM 895 N MET A 61 -10.274 13.085 -2.325 1.00 0.00 N ATOM 896 CA MET A 61 -10.486 11.611 -2.417 1.00 0.00 C ATOM 897 C MET A 61 -9.818 10.988 -3.680 1.00 0.00 C ATOM 898 O MET A 61 -8.989 10.076 -3.567 1.00 0.00 O ATOM 899 CB MET A 61 -11.996 11.239 -2.331 1.00 0.00 C ATOM 900 CG MET A 61 -12.283 9.745 -2.138 1.00 0.00 C ATOM 901 SD MET A 61 -11.678 9.131 -0.546 1.00 0.00 S ATOM 902 CE MET A 61 -12.203 7.417 -0.594 1.00 0.00 C ATOM 0 H MET A 61 -9.580 13.335 -1.621 1.00 0.00 H new ATOM 0 HA MET A 61 -9.988 11.175 -1.551 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.444 11.790 -1.504 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.490 11.574 -3.243 1.00 0.00 H new ATOM 0 HG2 MET A 61 -13.357 9.571 -2.208 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.816 9.180 -2.945 1.00 0.00 H new ATOM 0 HE1 MET A 61 -11.820 6.895 0.283 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.292 7.370 -0.598 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.816 6.943 -1.496 1.00 0.00 H new ATOM 912 N THR A 62 -10.217 11.473 -4.872 1.00 0.00 N ATOM 913 CA THR A 62 -9.627 11.077 -6.172 1.00 0.00 C ATOM 914 C THR A 62 -8.106 11.402 -6.225 1.00 0.00 C ATOM 915 O THR A 62 -7.723 12.553 -6.000 1.00 0.00 O ATOM 916 CB THR A 62 -10.363 11.820 -7.343 1.00 0.00 C ATOM 917 OG1 THR A 62 -11.764 11.499 -7.310 1.00 0.00 O ATOM 918 CG2 THR A 62 -9.795 11.471 -8.736 1.00 0.00 C ATOM 0 H THR A 62 -10.966 12.159 -4.964 1.00 0.00 H new ATOM 0 HA THR A 62 -9.752 10.000 -6.283 1.00 0.00 H new ATOM 0 HB THR A 62 -10.203 12.887 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.223 11.964 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.347 12.017 -9.501 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.742 11.749 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.895 10.400 -8.912 1.00 0.00 H new ATOM 926 N PRO A 63 -7.211 10.395 -6.499 1.00 0.00 N ATOM 927 CA PRO A 63 -5.751 10.649 -6.648 1.00 0.00 C ATOM 928 C PRO A 63 -5.396 11.292 -8.017 1.00 0.00 C ATOM 929 O PRO A 63 -6.284 11.490 -8.863 1.00 0.00 O ATOM 930 CB PRO A 63 -5.145 9.233 -6.503 1.00 0.00 C ATOM 931 CG PRO A 63 -6.205 8.321 -7.056 1.00 0.00 C ATOM 932 CD PRO A 63 -7.535 8.945 -6.665 1.00 0.00 C ATOM 0 HA PRO A 63 -5.369 11.363 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.211 9.141 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.922 9.000 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.118 8.232 -8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.109 7.316 -6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.292 8.789 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.924 8.513 -5.743 1.00 0.00 H new ATOM 940 N ARG A 64 -4.087 11.617 -8.209 1.00 0.00 N ATOM 941 CA ARG A 64 -3.537 12.227 -9.462 1.00 0.00 C ATOM 942 C ARG A 64 -3.994 13.705 -9.669 1.00 0.00 C ATOM 943 O ARG A 64 -5.013 14.126 -9.111 1.00 0.00 O ATOM 944 CB ARG A 64 -3.896 11.358 -10.717 1.00 0.00 C ATOM 945 CG ARG A 64 -3.281 9.944 -10.710 1.00 0.00 C ATOM 946 CD ARG A 64 -3.765 9.082 -11.890 1.00 0.00 C ATOM 947 NE ARG A 64 -3.012 7.823 -11.985 1.00 0.00 N ATOM 948 CZ ARG A 64 -3.246 6.854 -12.838 1.00 0.00 C ATOM 949 NH1 ARG A 64 -4.217 6.914 -13.689 1.00 0.00 N ATOM 950 NH2 ARG A 64 -2.479 5.827 -12.842 1.00 0.00 N ATOM 0 H ARG A 64 -3.375 11.463 -7.495 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.454 12.245 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.980 11.269 -10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.563 11.881 -11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.195 10.024 -10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.534 9.446 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.826 8.864 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.657 9.642 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.241 7.691 -11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.827 7.731 -13.710 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.373 6.144 -14.340 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.699 5.771 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.649 5.066 -13.500 1.00 0.00 H new ATOM 964 N PRO A 65 -3.245 14.537 -10.478 1.00 0.00 N ATOM 965 CA PRO A 65 -3.715 15.901 -10.887 1.00 0.00 C ATOM 966 C PRO A 65 -4.792 15.875 -12.026 1.00 0.00 C ATOM 967 O PRO A 65 -4.863 16.784 -12.861 1.00 0.00 O ATOM 968 CB PRO A 65 -2.396 16.584 -11.340 1.00 0.00 C ATOM 969 CG PRO A 65 -1.555 15.458 -11.871 1.00 0.00 C ATOM 970 CD PRO A 65 -1.868 14.261 -10.993 1.00 0.00 C ATOM 0 HA PRO A 65 -4.229 16.426 -10.082 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.581 17.337 -12.106 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.904 17.089 -10.509 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.792 15.251 -12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.495 15.708 -11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.833 13.331 -11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.150 14.165 -10.179 1.00 0.00 H new ATOM 978 N GLU A 66 -5.635 14.824 -12.025 1.00 0.00 N ATOM 979 CA GLU A 66 -6.745 14.617 -12.981 1.00 0.00 C ATOM 980 C GLU A 66 -8.065 14.473 -12.185 1.00 0.00 C ATOM 981 O GLU A 66 -8.131 13.695 -11.228 1.00 0.00 O ATOM 982 CB GLU A 66 -6.467 13.341 -13.825 1.00 0.00 C ATOM 983 CG GLU A 66 -5.190 13.416 -14.692 1.00 0.00 C ATOM 984 CD GLU A 66 -4.800 12.066 -15.319 1.00 0.00 C ATOM 985 OE1 GLU A 66 -5.392 11.685 -16.352 1.00 0.00 O ATOM 986 OE2 GLU A 66 -3.894 11.383 -14.785 1.00 0.00 O ATOM 0 H GLU A 66 -5.562 14.072 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.829 15.466 -13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.386 12.486 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.322 13.156 -14.475 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.341 14.147 -15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.364 13.776 -14.079 1.00 0.00 H new ATOM 993 N PHE A 67 -9.114 15.214 -12.586 1.00 0.00 N ATOM 994 CA PHE A 67 -10.375 15.327 -11.802 1.00 0.00 C ATOM 995 C PHE A 67 -11.508 14.409 -12.359 1.00 0.00 C ATOM 996 O PHE A 67 -12.574 14.290 -11.740 1.00 0.00 O ATOM 997 CB PHE A 67 -10.809 16.827 -11.774 1.00 0.00 C ATOM 998 CG PHE A 67 -11.859 17.172 -10.712 1.00 0.00 C ATOM 999 CD1 PHE A 67 -11.509 17.233 -9.361 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -13.189 17.433 -11.057 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -12.451 17.541 -8.393 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -14.127 17.741 -10.088 1.00 0.00 C ATOM 1003 CZ PHE A 67 -13.759 17.796 -8.757 1.00 0.00 C ATOM 0 H PHE A 67 -9.120 15.750 -13.454 1.00 0.00 H new ATOM 0 HA PHE A 67 -10.191 14.979 -10.786 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -9.926 17.443 -11.605 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -11.202 17.095 -12.754 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -10.489 17.037 -9.067 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -13.488 17.394 -12.094 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.163 17.582 -7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.150 17.939 -10.372 1.00 0.00 H new ATOM 0 HZ PHE A 67 -14.493 18.038 -8.003 1.00 0.00 H new ATOM 1013 N ASN A 68 -11.270 13.753 -13.517 1.00 0.00 N ATOM 1014 CA ASN A 68 -12.288 12.889 -14.177 1.00 0.00 C ATOM 1015 C ASN A 68 -12.447 11.510 -13.479 1.00 0.00 C ATOM 1016 O ASN A 68 -11.812 10.524 -13.879 1.00 0.00 O ATOM 1017 CB ASN A 68 -11.968 12.723 -15.690 1.00 0.00 C ATOM 1018 CG ASN A 68 -12.107 14.023 -16.497 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -13.067 14.868 -16.154 1.00 0.00 O flip ATOM 1020 ND2 ASN A 68 -11.364 14.262 -17.446 1.00 0.00 N flip ATOM 0 H ASN A 68 -10.383 13.802 -14.018 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.249 13.395 -14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.951 12.346 -15.798 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.634 11.970 -16.113 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.629 13.601 -17.698 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.482 15.122 -17.982 1.00 0.00 H new ATOM 1027 N PHE A 69 -13.289 11.498 -12.411 1.00 0.00 N ATOM 1028 CA PHE A 69 -13.696 10.285 -11.639 1.00 0.00 C ATOM 1029 C PHE A 69 -12.524 9.593 -10.862 1.00 0.00 C ATOM 1030 O PHE A 69 -11.388 9.530 -11.352 1.00 0.00 O ATOM 1031 CB PHE A 69 -14.441 9.259 -12.550 1.00 0.00 C ATOM 1032 CG PHE A 69 -15.765 9.780 -13.118 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -16.848 10.032 -12.273 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -15.930 10.021 -14.486 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -18.047 10.506 -12.772 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -17.134 10.494 -14.983 1.00 0.00 C ATOM 1037 CZ PHE A 69 -18.190 10.739 -14.126 1.00 0.00 C ATOM 0 H PHE A 69 -13.716 12.352 -12.051 1.00 0.00 H new ATOM 0 HA PHE A 69 -14.383 10.648 -10.875 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.787 8.980 -13.376 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.635 8.352 -11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -16.747 9.854 -11.213 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.109 9.836 -15.163 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -18.873 10.694 -12.102 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.247 10.672 -16.042 1.00 0.00 H new ATOM 0 HZ PHE A 69 -19.126 11.112 -14.514 1.00 0.00 H new ATOM 1047 N PRO A 70 -12.788 9.061 -9.613 1.00 0.00 N ATOM 1048 CA PRO A 70 -11.798 8.238 -8.874 1.00 0.00 C ATOM 1049 C PRO A 70 -11.560 6.870 -9.571 1.00 0.00 C ATOM 1050 O PRO A 70 -12.328 5.922 -9.382 1.00 0.00 O ATOM 1051 CB PRO A 70 -12.430 8.086 -7.459 1.00 0.00 C ATOM 1052 CG PRO A 70 -13.907 8.255 -7.687 1.00 0.00 C ATOM 1053 CD PRO A 70 -14.037 9.253 -8.822 1.00 0.00 C ATOM 0 HA PRO A 70 -10.809 8.694 -8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.204 7.112 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.046 8.838 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -14.374 7.305 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.403 8.619 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.925 9.060 -9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.121 10.274 -8.449 1.00 0.00 H new ATOM 1061 N GLY A 71 -10.526 6.819 -10.437 1.00 0.00 N ATOM 1062 CA GLY A 71 -10.151 5.582 -11.142 1.00 0.00 C ATOM 1063 C GLY A 71 -9.654 4.490 -10.194 1.00 0.00 C ATOM 1064 O GLY A 71 -9.986 3.309 -10.351 1.00 0.00 O ATOM 0 H GLY A 71 -9.938 7.622 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.012 5.210 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.373 5.806 -11.871 1.00 0.00 H new ATOM 1068 N LEU A 72 -8.845 4.894 -9.203 1.00 0.00 N ATOM 1069 CA LEU A 72 -8.367 3.996 -8.133 1.00 0.00 C ATOM 1070 C LEU A 72 -9.284 4.108 -6.897 1.00 0.00 C ATOM 1071 O LEU A 72 -9.225 5.092 -6.150 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.883 4.305 -7.754 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.817 4.135 -8.895 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -6.052 2.839 -9.703 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.733 5.379 -9.814 1.00 0.00 C ATOM 0 H LEU A 72 -8.502 5.851 -9.118 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.404 2.972 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.831 5.331 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.601 3.657 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.846 4.044 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.296 2.755 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.984 1.978 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.042 2.869 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.982 5.211 -10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.702 5.552 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.456 6.251 -9.222 1.00 0.00 H new ATOM 1087 N LYS A 73 -10.162 3.107 -6.720 1.00 0.00 N ATOM 1088 CA LYS A 73 -11.044 3.003 -5.536 1.00 0.00 C ATOM 1089 C LYS A 73 -10.412 2.025 -4.507 1.00 0.00 C ATOM 1090 O LYS A 73 -9.233 1.657 -4.621 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.486 2.525 -5.937 1.00 0.00 C ATOM 1092 CG LYS A 73 -13.175 3.319 -7.087 1.00 0.00 C ATOM 1093 CD LYS A 73 -12.771 2.826 -8.503 1.00 0.00 C ATOM 1094 CE LYS A 73 -13.242 1.387 -8.795 1.00 0.00 C ATOM 1095 NZ LYS A 73 -12.737 0.888 -10.099 1.00 0.00 N ATOM 0 H LYS A 73 -10.284 2.347 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.141 3.991 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.431 1.476 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.123 2.577 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.256 3.239 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.922 4.375 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.192 3.499 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.687 2.875 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.902 0.726 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.332 1.355 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.439 0.247 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.573 1.692 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.844 0.375 -9.952 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.201 1.624 -3.498 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.748 0.696 -2.447 1.00 0.00 C ATOM 1111 C ALA A 74 -10.515 -0.742 -2.983 1.00 0.00 C ATOM 1112 O ALA A 74 -11.458 -1.430 -3.392 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.760 0.700 -1.307 1.00 0.00 C ATOM 0 H ALA A 74 -12.167 1.932 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.781 1.042 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.431 0.015 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.842 1.706 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.732 0.381 -1.683 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.237 -1.160 -2.995 1.00 0.00 N ATOM 1120 CA GLY A 75 -8.838 -2.515 -3.420 1.00 0.00 C ATOM 1121 C GLY A 75 -8.331 -2.588 -4.863 1.00 0.00 C ATOM 1122 O GLY A 75 -7.948 -3.662 -5.334 1.00 0.00 O ATOM 0 H GLY A 75 -8.454 -0.571 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.058 -2.880 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.690 -3.185 -3.310 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.333 -1.446 -5.573 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.837 -1.367 -6.964 1.00 0.00 C ATOM 1128 C ASP A 76 -6.289 -1.379 -7.021 1.00 0.00 C ATOM 1129 O ASP A 76 -5.627 -0.381 -6.700 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.413 -0.113 -7.666 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.922 -0.238 -7.936 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.717 -0.212 -6.974 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.322 -0.394 -9.111 1.00 0.00 O ATOM 0 H ASP A 76 -8.675 -0.558 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.182 -2.253 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.228 0.765 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.889 0.046 -8.609 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.726 -2.533 -7.413 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.278 -2.689 -7.615 1.00 0.00 C ATOM 1140 C ARG A 77 -3.846 -2.142 -9.007 1.00 0.00 C ATOM 1141 O ARG A 77 -3.870 -2.862 -10.015 1.00 0.00 O ATOM 1142 CB ARG A 77 -3.855 -4.180 -7.433 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.698 -5.213 -8.224 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.211 -6.656 -8.026 1.00 0.00 C ATOM 1145 NE ARG A 77 -5.091 -7.647 -8.675 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.696 -8.637 -9.450 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -3.456 -8.756 -9.821 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -5.561 -9.492 -9.875 1.00 0.00 N ATOM 0 H ARG A 77 -6.261 -3.382 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.762 -2.100 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.812 -4.283 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.909 -4.428 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.740 -5.140 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.665 -4.966 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.202 -6.753 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.151 -6.872 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.093 -7.558 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.763 -8.074 -9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.175 -9.531 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.542 -9.399 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.265 -10.262 -10.475 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.464 -0.855 -9.045 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.960 -0.193 -10.272 1.00 0.00 C ATOM 1164 C TRP A 78 -2.345 1.173 -9.926 1.00 0.00 C ATOM 1165 O TRP A 78 -3.030 2.023 -9.361 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.102 -0.012 -11.310 1.00 0.00 C ATOM 1167 CG TRP A 78 -3.664 0.632 -12.612 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.984 1.884 -13.072 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -2.808 0.050 -13.607 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -3.387 2.105 -14.286 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.661 0.997 -14.637 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -2.157 -1.183 -13.725 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -1.895 0.750 -15.773 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -1.390 -1.425 -14.847 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -1.264 -0.462 -15.859 1.00 0.00 C ATOM 0 H TRP A 78 -3.493 -0.241 -8.231 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.191 -0.829 -10.710 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.537 -0.987 -11.529 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.890 0.595 -10.864 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.614 2.592 -12.554 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.470 2.958 -14.840 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.253 -1.932 -12.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.802 1.487 -16.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.879 -2.371 -14.947 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.656 -0.681 -16.724 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.044 1.356 -10.251 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.305 2.645 -10.068 1.00 0.00 C ATOM 1188 C CYS A 79 -0.443 3.217 -8.622 1.00 0.00 C ATOM 1189 O CYS A 79 -0.294 4.421 -8.389 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.775 3.668 -11.129 1.00 0.00 C ATOM 1191 SG CYS A 79 0.135 5.236 -11.146 1.00 0.00 S ATOM 0 H CYS A 79 -0.467 0.615 -10.650 1.00 0.00 H new ATOM 0 HA CYS A 79 0.757 2.445 -10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.694 3.209 -12.114 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.831 3.881 -10.962 1.00 0.00 H new ATOM 0 HG CYS A 79 0.316 5.646 -9.926 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.701 2.307 -7.658 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.917 2.644 -6.244 1.00 0.00 C ATOM 1199 C LEU A 80 0.394 3.189 -5.637 1.00 0.00 C ATOM 1200 O LEU A 80 1.432 2.523 -5.695 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.453 1.377 -5.472 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.895 1.543 -3.967 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.700 1.575 -2.982 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.816 2.773 -3.789 1.00 0.00 C ATOM 0 H LEU A 80 -0.765 1.307 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.672 3.425 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.306 0.987 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.675 0.614 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.468 0.651 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.071 1.691 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.139 0.644 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.048 2.413 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.105 2.863 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.284 3.673 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.709 2.651 -4.403 1.00 0.00 H new ATOM 1216 N CYS A 81 0.327 4.414 -5.081 1.00 0.00 N ATOM 1217 CA CYS A 81 1.482 5.076 -4.438 1.00 0.00 C ATOM 1218 C CYS A 81 2.026 4.224 -3.269 1.00 0.00 C ATOM 1219 O CYS A 81 1.421 4.175 -2.192 1.00 0.00 O ATOM 1220 CB CYS A 81 1.089 6.482 -3.940 1.00 0.00 C ATOM 1221 SG CYS A 81 2.416 7.374 -3.085 1.00 0.00 S ATOM 0 H CYS A 81 -0.526 4.973 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 81 2.272 5.177 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.759 7.076 -4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.237 6.390 -3.266 1.00 0.00 H new ATOM 0 HG CYS A 81 3.540 6.743 -3.251 1.00 0.00 H new ATOM 1227 N ALA A 82 3.154 3.519 -3.523 1.00 0.00 N ATOM 1228 CA ALA A 82 3.840 2.660 -2.520 1.00 0.00 C ATOM 1229 C ALA A 82 4.256 3.455 -1.252 1.00 0.00 C ATOM 1230 O ALA A 82 4.367 2.890 -0.164 1.00 0.00 O ATOM 1231 CB ALA A 82 5.062 1.977 -3.161 1.00 0.00 C ATOM 0 H ALA A 82 3.618 3.528 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 82 3.131 1.898 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.559 1.350 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.736 1.360 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.757 2.736 -3.518 1.00 0.00 H new ATOM 1237 N SER A 83 4.478 4.775 -1.427 1.00 0.00 N ATOM 1238 CA SER A 83 4.727 5.718 -0.313 1.00 0.00 C ATOM 1239 C SER A 83 3.468 5.893 0.575 1.00 0.00 C ATOM 1240 O SER A 83 3.579 5.945 1.795 1.00 0.00 O ATOM 1241 CB SER A 83 5.173 7.088 -0.867 1.00 0.00 C ATOM 1242 OG SER A 83 5.397 8.033 0.169 1.00 0.00 O ATOM 0 H SER A 83 4.490 5.219 -2.345 1.00 0.00 H new ATOM 0 HA SER A 83 5.521 5.300 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.087 6.964 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.412 7.469 -1.547 1.00 0.00 H new ATOM 0 HG SER A 83 5.679 8.886 -0.222 1.00 0.00 H new ATOM 1248 N ARG A 84 2.277 5.991 -0.056 1.00 0.00 N ATOM 1249 CA ARG A 84 0.983 6.141 0.670 1.00 0.00 C ATOM 1250 C ARG A 84 0.540 4.811 1.344 1.00 0.00 C ATOM 1251 O ARG A 84 -0.102 4.828 2.401 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.117 6.703 -0.270 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.474 6.979 0.424 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.450 7.822 -0.427 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.000 9.220 -0.566 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.142 10.168 0.349 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.733 9.937 1.487 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.688 11.351 0.111 1.00 0.00 N ATOM 0 H ARG A 84 2.179 5.969 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 84 1.136 6.863 1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.243 7.629 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.277 5.997 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.947 6.028 0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.291 7.494 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.549 7.373 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.439 7.804 0.031 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.541 9.479 -1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.100 9.008 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.828 10.686 2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.224 11.551 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.793 12.087 0.809 1.00 0.00 H new ATOM 1272 N TRP A 85 0.891 3.661 0.731 1.00 0.00 N ATOM 1273 CA TRP A 85 0.741 2.334 1.385 1.00 0.00 C ATOM 1274 C TRP A 85 1.674 2.265 2.622 1.00 0.00 C ATOM 1275 O TRP A 85 1.274 1.785 3.690 1.00 0.00 O ATOM 1276 CB TRP A 85 0.987 1.170 0.360 1.00 0.00 C ATOM 1277 CG TRP A 85 1.561 -0.107 0.954 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.740 -0.687 0.605 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.014 -0.932 2.008 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.994 -1.768 1.408 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.950 -1.948 2.264 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.154 -0.900 2.773 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.753 -2.922 3.245 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.343 -1.864 3.740 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.605 -2.860 3.971 1.00 0.00 C ATOM 0 H TRP A 85 1.279 3.619 -0.211 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.283 2.207 1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.042 0.932 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.665 1.528 -0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.384 -0.345 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.833 -2.347 1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.897 -0.133 2.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.485 -3.696 3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.246 -1.847 4.332 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.424 -3.596 4.741 1.00 0.00 H new ATOM 1296 N GLN A 86 2.910 2.775 2.467 1.00 0.00 N ATOM 1297 CA GLN A 86 3.870 2.897 3.585 1.00 0.00 C ATOM 1298 C GLN A 86 3.281 3.763 4.725 1.00 0.00 C ATOM 1299 O GLN A 86 3.471 3.455 5.898 1.00 0.00 O ATOM 1300 CB GLN A 86 5.216 3.500 3.100 1.00 0.00 C ATOM 1301 CG GLN A 86 6.326 3.558 4.179 1.00 0.00 C ATOM 1302 CD GLN A 86 6.741 2.179 4.705 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.055 1.686 5.723 1.00 0.00 O flip ATOM 1304 NE2 GLN A 86 7.652 1.557 4.184 1.00 0.00 N flip ATOM 0 H GLN A 86 3.271 3.111 1.574 1.00 0.00 H new ATOM 0 HA GLN A 86 4.059 1.895 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.579 2.912 2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.034 4.509 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.201 4.057 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.979 4.167 5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.164 1.962 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.902 0.631 4.532 1.00 0.00 H new ATOM 1313 N GLU A 87 2.543 4.828 4.354 1.00 0.00 N ATOM 1314 CA GLU A 87 1.850 5.704 5.326 1.00 0.00 C ATOM 1315 C GLU A 87 0.784 4.930 6.138 1.00 0.00 C ATOM 1316 O GLU A 87 0.638 5.164 7.335 1.00 0.00 O ATOM 1317 CB GLU A 87 1.192 6.925 4.621 1.00 0.00 C ATOM 1318 CG GLU A 87 2.172 7.887 3.898 1.00 0.00 C ATOM 1319 CD GLU A 87 3.080 8.756 4.801 1.00 0.00 C ATOM 1320 OE1 GLU A 87 3.097 8.587 6.042 1.00 0.00 O ATOM 1321 OE2 GLU A 87 3.777 9.640 4.259 1.00 0.00 O ATOM 0 H GLU A 87 2.410 5.105 3.382 1.00 0.00 H new ATOM 0 HA GLU A 87 2.611 6.067 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.469 6.556 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.634 7.494 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.810 7.294 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.589 8.551 3.260 1.00 0.00 H new ATOM 1328 N ALA A 88 0.048 4.008 5.476 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.926 3.121 6.156 1.00 0.00 C ATOM 1330 C ALA A 88 -0.226 2.170 7.141 1.00 0.00 C ATOM 1331 O ALA A 88 -0.710 1.933 8.257 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.707 2.310 5.114 1.00 0.00 C ATOM 0 H ALA A 88 0.110 3.858 4.469 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.614 3.747 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.421 1.660 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.241 2.989 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.014 1.703 4.531 1.00 0.00 H new ATOM 1338 N PHE A 89 0.924 1.645 6.699 1.00 0.00 N ATOM 1339 CA PHE A 89 1.711 0.656 7.454 1.00 0.00 C ATOM 1340 C PHE A 89 2.315 1.276 8.740 1.00 0.00 C ATOM 1341 O PHE A 89 2.280 0.667 9.814 1.00 0.00 O ATOM 1342 CB PHE A 89 2.804 0.061 6.524 1.00 0.00 C ATOM 1343 CG PHE A 89 3.466 -1.205 7.064 1.00 0.00 C ATOM 1344 CD1 PHE A 89 2.825 -2.442 6.966 1.00 0.00 C ATOM 1345 CD2 PHE A 89 4.711 -1.160 7.682 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.411 -3.585 7.465 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.294 -2.306 8.183 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.645 -3.516 8.074 1.00 0.00 C ATOM 0 H PHE A 89 1.339 1.895 5.801 1.00 0.00 H new ATOM 0 HA PHE A 89 1.057 -0.151 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.358 -0.161 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.572 0.816 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.856 -2.504 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.228 -0.216 7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.903 -4.534 7.379 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.261 -2.254 8.661 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.104 -4.412 8.466 1.00 0.00 H new ATOM 1358 N GLU A 90 2.841 2.507 8.617 1.00 0.00 N ATOM 1359 CA GLU A 90 3.455 3.248 9.747 1.00 0.00 C ATOM 1360 C GLU A 90 2.388 3.852 10.692 1.00 0.00 C ATOM 1361 O GLU A 90 2.621 3.960 11.903 1.00 0.00 O ATOM 1362 CB GLU A 90 4.402 4.353 9.209 1.00 0.00 C ATOM 1363 CG GLU A 90 5.541 3.844 8.288 1.00 0.00 C ATOM 1364 CD GLU A 90 6.475 2.810 8.953 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.448 3.214 9.619 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.242 1.588 8.809 1.00 0.00 O ATOM 0 H GLU A 90 2.856 3.021 7.736 1.00 0.00 H new ATOM 0 HA GLU A 90 4.036 2.537 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.809 5.084 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.846 4.875 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.101 3.399 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.136 4.696 7.959 1.00 0.00 H new ATOM 1373 N ALA A 91 1.223 4.241 10.128 1.00 0.00 N ATOM 1374 CA ALA A 91 0.071 4.762 10.919 1.00 0.00 C ATOM 1375 C ALA A 91 -0.608 3.644 11.748 1.00 0.00 C ATOM 1376 O ALA A 91 -1.276 3.927 12.745 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.956 5.442 9.996 1.00 0.00 C ATOM 0 H ALA A 91 1.049 4.206 9.124 1.00 0.00 H new ATOM 0 HA ALA A 91 0.462 5.501 11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.789 5.816 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.482 6.273 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.326 4.720 9.268 1.00 0.00 H new ATOM 1383 N GLY A 92 -0.432 2.378 11.315 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.930 1.204 12.058 1.00 0.00 C ATOM 1385 C GLY A 92 -2.157 0.533 11.428 1.00 0.00 C ATOM 1386 O GLY A 92 -2.538 -0.568 11.848 1.00 0.00 O ATOM 0 H GLY A 92 0.054 2.143 10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.128 0.470 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.179 1.510 13.074 1.00 0.00 H new ATOM 1390 N MET A 93 -2.781 1.192 10.427 1.00 0.00 N ATOM 1391 CA MET A 93 -3.937 0.622 9.685 1.00 0.00 C ATOM 1392 C MET A 93 -3.482 -0.601 8.860 1.00 0.00 C ATOM 1393 O MET A 93 -3.866 -1.735 9.166 1.00 0.00 O ATOM 1394 CB MET A 93 -4.600 1.691 8.760 1.00 0.00 C ATOM 1395 CG MET A 93 -5.263 2.851 9.505 1.00 0.00 C ATOM 1396 SD MET A 93 -4.071 3.826 10.444 1.00 0.00 S ATOM 1397 CE MET A 93 -5.151 4.940 11.334 1.00 0.00 C ATOM 0 H MET A 93 -2.506 2.122 10.111 1.00 0.00 H new ATOM 0 HA MET A 93 -4.685 0.303 10.411 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.841 2.093 8.089 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.348 1.201 8.137 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.774 3.495 8.790 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.023 2.460 10.181 1.00 0.00 H new ATOM 0 HE1 MET A 93 -4.554 5.605 11.958 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.729 5.531 10.624 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.829 4.364 11.963 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.637 -0.328 7.842 1.00 0.00 N ATOM 1408 CA ALA A 94 -2.009 -1.338 6.963 1.00 0.00 C ATOM 1409 C ALA A 94 -3.005 -2.395 6.399 1.00 0.00 C ATOM 1410 O ALA A 94 -3.223 -3.445 7.015 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.803 -1.992 7.651 1.00 0.00 C ATOM 0 H ALA A 94 -2.366 0.626 7.603 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.651 -0.796 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.360 -2.731 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.063 -1.229 7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.129 -2.482 8.569 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.659 -2.098 5.241 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.512 -3.081 4.509 1.00 0.00 C ATOM 1419 C PRO A 95 -3.710 -4.301 3.944 1.00 0.00 C ATOM 1420 O PRO A 95 -2.486 -4.221 3.769 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.110 -2.220 3.362 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.140 -1.095 3.189 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.670 -0.769 4.574 1.00 0.00 C ATOM 0 HA PRO A 95 -5.256 -3.542 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.213 -2.799 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.103 -1.851 3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.308 -1.387 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.615 -0.233 2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.681 -0.312 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.341 -0.071 5.075 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.393 -5.461 3.666 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.749 -6.623 3.004 1.00 0.00 C ATOM 1433 C PRO A 96 -3.377 -6.328 1.518 1.00 0.00 C ATOM 1434 O PRO A 96 -4.255 -6.200 0.651 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.812 -7.750 3.139 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.122 -7.025 3.267 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.816 -5.746 4.016 1.00 0.00 C ATOM 0 HA PRO A 96 -2.796 -6.891 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.806 -8.406 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.618 -8.375 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.548 -6.811 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.852 -7.629 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.474 -4.934 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.946 -5.871 5.091 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.062 -6.209 1.246 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.526 -5.910 -0.102 1.00 0.00 C ATOM 1447 C VAL A 97 -1.116 -7.214 -0.837 1.00 0.00 C ATOM 1448 O VAL A 97 -0.534 -8.123 -0.248 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.314 -4.893 -0.024 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.800 -5.387 0.925 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.260 -4.578 -1.429 1.00 0.00 C ATOM 0 H VAL A 97 -1.338 -6.317 1.956 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.319 -5.435 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.712 -3.968 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.610 -4.658 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.395 -5.509 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.183 -6.344 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.089 -3.877 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.614 -5.499 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.519 -4.136 -2.050 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.463 -7.296 -2.124 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.257 -8.500 -2.961 1.00 0.00 C ATOM 1463 C VAL A 98 0.230 -8.673 -3.435 1.00 0.00 C ATOM 1464 O VAL A 98 0.721 -7.946 -4.301 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.259 -8.471 -4.180 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.141 -7.154 -4.990 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.098 -9.715 -5.079 1.00 0.00 C ATOM 0 H VAL A 98 -1.900 -6.524 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.467 -9.374 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.268 -8.502 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.847 -7.173 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.366 -6.307 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.127 -7.055 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.804 -9.659 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.082 -9.752 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.294 -10.614 -4.495 1.00 0.00 H new ATOM 1477 N LEU A 99 0.934 -9.665 -2.851 1.00 0.00 N ATOM 1478 CA LEU A 99 2.345 -10.000 -3.202 1.00 0.00 C ATOM 1479 C LEU A 99 2.478 -10.583 -4.627 1.00 0.00 C ATOM 1480 O LEU A 99 3.449 -10.301 -5.337 1.00 0.00 O ATOM 1481 CB LEU A 99 2.911 -11.013 -2.181 1.00 0.00 C ATOM 1482 CG LEU A 99 3.111 -10.478 -0.735 1.00 0.00 C ATOM 1483 CD1 LEU A 99 3.492 -11.619 0.221 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.154 -9.340 -0.713 1.00 0.00 C ATOM 0 H LEU A 99 0.546 -10.262 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 99 2.913 -9.070 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.241 -11.872 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.871 -11.374 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 99 2.166 -10.062 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.627 -11.221 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.699 -12.367 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.421 -12.080 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.279 -8.980 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.108 -9.714 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.813 -8.521 -1.347 1.00 0.00 H new ATOM 1496 N GLN A 100 1.479 -11.391 -5.032 1.00 0.00 N ATOM 1497 CA GLN A 100 1.449 -12.063 -6.361 1.00 0.00 C ATOM 1498 C GLN A 100 1.014 -11.105 -7.512 1.00 0.00 C ATOM 1499 O GLN A 100 0.607 -11.560 -8.590 1.00 0.00 O ATOM 1500 CB GLN A 100 0.522 -13.317 -6.278 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.935 -13.019 -5.846 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.826 -14.259 -5.658 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -2.713 -14.273 -4.815 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -1.628 -15.289 -6.459 1.00 0.00 N ATOM 0 H GLN A 100 0.666 -11.601 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 100 2.464 -12.375 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.505 -13.804 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.957 -14.027 -5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.913 -12.461 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.394 -12.371 -6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.883 -15.258 -7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.220 -16.116 -6.382 1.00 0.00 H new ATOM 1513 N SER A 101 1.139 -9.779 -7.285 1.00 0.00 N ATOM 1514 CA SER A 101 0.856 -8.740 -8.304 1.00 0.00 C ATOM 1515 C SER A 101 1.854 -7.559 -8.197 1.00 0.00 C ATOM 1516 O SER A 101 2.353 -7.097 -9.223 1.00 0.00 O ATOM 1517 CB SER A 101 -0.590 -8.220 -8.160 1.00 0.00 C ATOM 1518 OG SER A 101 -0.918 -7.239 -9.140 1.00 0.00 O ATOM 0 H SER A 101 1.440 -9.397 -6.388 1.00 0.00 H new ATOM 0 HA SER A 101 0.974 -9.200 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.283 -9.057 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.722 -7.794 -7.166 1.00 0.00 H new ATOM 0 HG SER A 101 -0.948 -7.658 -10.025 1.00 0.00 H new ATOM 1524 N THR A 102 2.132 -7.090 -6.950 1.00 0.00 N ATOM 1525 CA THR A 102 2.969 -5.878 -6.682 1.00 0.00 C ATOM 1526 C THR A 102 4.389 -5.979 -7.305 1.00 0.00 C ATOM 1527 O THR A 102 5.157 -6.899 -6.993 1.00 0.00 O ATOM 1528 CB THR A 102 3.083 -5.591 -5.139 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.770 -5.432 -4.563 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.908 -4.323 -4.825 1.00 0.00 C ATOM 0 H THR A 102 1.785 -7.537 -6.101 1.00 0.00 H new ATOM 0 HA THR A 102 2.455 -5.046 -7.164 1.00 0.00 H new ATOM 0 HB THR A 102 3.597 -6.449 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.372 -6.314 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.952 -4.176 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.918 -4.440 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.436 -3.458 -5.290 1.00 0.00 H new ATOM 1538 N GLU A 103 4.710 -5.004 -8.182 1.00 0.00 N ATOM 1539 CA GLU A 103 5.948 -4.995 -8.995 1.00 0.00 C ATOM 1540 C GLU A 103 7.216 -4.646 -8.169 1.00 0.00 C ATOM 1541 O GLU A 103 7.137 -4.139 -7.042 1.00 0.00 O ATOM 1542 CB GLU A 103 5.804 -4.005 -10.198 1.00 0.00 C ATOM 1543 CG GLU A 103 4.687 -4.340 -11.228 1.00 0.00 C ATOM 1544 CD GLU A 103 3.291 -3.802 -10.845 1.00 0.00 C ATOM 1545 OE1 GLU A 103 2.616 -4.409 -10.003 1.00 0.00 O ATOM 1546 OE2 GLU A 103 2.867 -2.760 -11.382 1.00 0.00 O ATOM 0 H GLU A 103 4.113 -4.194 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 103 6.081 -6.011 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.617 -3.007 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.757 -3.965 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.968 -3.930 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.628 -5.422 -11.344 1.00 0.00 H new ATOM 1553 N LYS A 104 8.390 -4.892 -8.783 1.00 0.00 N ATOM 1554 CA LYS A 104 9.721 -4.689 -8.150 1.00 0.00 C ATOM 1555 C LYS A 104 10.056 -3.195 -7.908 1.00 0.00 C ATOM 1556 O LYS A 104 11.017 -2.880 -7.192 1.00 0.00 O ATOM 1557 CB LYS A 104 10.822 -5.398 -8.988 1.00 0.00 C ATOM 1558 CG LYS A 104 10.576 -6.919 -9.184 1.00 0.00 C ATOM 1559 CD LYS A 104 10.343 -7.662 -7.843 1.00 0.00 C ATOM 1560 CE LYS A 104 9.991 -9.150 -8.020 1.00 0.00 C ATOM 1561 NZ LYS A 104 11.101 -9.922 -8.632 1.00 0.00 N ATOM 0 H LYS A 104 8.449 -5.240 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 104 9.685 -5.144 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.886 -4.920 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.786 -5.255 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.710 -7.063 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.432 -7.359 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.240 -7.579 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.538 -7.169 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.744 -9.581 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.102 -9.239 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.050 -10.912 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.021 -9.883 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.011 -9.513 -8.340 1.00 0.00 H new ATOM 1575 N SER A 105 9.269 -2.292 -8.534 1.00 0.00 N ATOM 1576 CA SER A 105 9.355 -0.827 -8.279 1.00 0.00 C ATOM 1577 C SER A 105 9.131 -0.523 -6.789 1.00 0.00 C ATOM 1578 O SER A 105 9.944 0.153 -6.167 1.00 0.00 O ATOM 1579 CB SER A 105 8.318 -0.051 -9.136 1.00 0.00 C ATOM 1580 OG SER A 105 8.427 1.360 -8.976 1.00 0.00 O ATOM 0 H SER A 105 8.562 -2.549 -9.223 1.00 0.00 H new ATOM 0 HA SER A 105 10.355 -0.499 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.456 -0.306 -10.187 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.312 -0.368 -8.860 1.00 0.00 H new ATOM 0 HG SER A 105 8.631 1.773 -9.841 1.00 0.00 H new ATOM 1586 N ALA A 106 8.059 -1.106 -6.216 1.00 0.00 N ATOM 1587 CA ALA A 106 7.688 -0.919 -4.793 1.00 0.00 C ATOM 1588 C ALA A 106 8.838 -1.286 -3.818 1.00 0.00 C ATOM 1589 O ALA A 106 8.989 -0.674 -2.777 1.00 0.00 O ATOM 1590 CB ALA A 106 6.437 -1.745 -4.468 1.00 0.00 C ATOM 0 H ALA A 106 7.424 -1.721 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 106 7.481 0.142 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.169 -1.603 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.611 -1.419 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.640 -2.800 -4.651 1.00 0.00 H new ATOM 1596 N LEU A 107 9.664 -2.268 -4.187 1.00 0.00 N ATOM 1597 CA LEU A 107 10.797 -2.734 -3.343 1.00 0.00 C ATOM 1598 C LEU A 107 11.897 -1.647 -3.176 1.00 0.00 C ATOM 1599 O LEU A 107 12.664 -1.679 -2.211 1.00 0.00 O ATOM 1600 CB LEU A 107 11.405 -4.051 -3.917 1.00 0.00 C ATOM 1601 CG LEU A 107 10.594 -5.368 -3.661 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.150 -5.307 -4.217 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.353 -6.596 -4.215 1.00 0.00 C ATOM 0 H LEU A 107 9.578 -2.768 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 107 10.395 -2.935 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.526 -3.929 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.402 -4.178 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 107 10.501 -5.473 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.640 -6.248 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.611 -4.488 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.181 -5.142 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.772 -7.499 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.502 -6.478 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.321 -6.678 -3.721 1.00 0.00 H new ATOM 1615 N ARG A 108 11.953 -0.692 -4.119 1.00 0.00 N ATOM 1616 CA ARG A 108 12.881 0.467 -4.064 1.00 0.00 C ATOM 1617 C ARG A 108 12.272 1.694 -3.315 1.00 0.00 C ATOM 1618 O ARG A 108 12.975 2.681 -3.081 1.00 0.00 O ATOM 1619 CB ARG A 108 13.299 0.856 -5.512 1.00 0.00 C ATOM 1620 CG ARG A 108 14.180 -0.201 -6.222 1.00 0.00 C ATOM 1621 CD ARG A 108 14.477 0.155 -7.696 1.00 0.00 C ATOM 1622 NE ARG A 108 15.565 -0.674 -8.271 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.412 -1.738 -9.037 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.237 -2.216 -9.312 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.457 -2.332 -9.521 1.00 0.00 N ATOM 0 H ARG A 108 11.357 -0.695 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 108 13.758 0.166 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.400 1.022 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.840 1.802 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.121 -0.304 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.681 -1.169 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.572 0.023 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.751 1.208 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 108 16.522 -0.395 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.403 -1.768 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.148 -3.040 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 108 17.389 -1.977 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.347 -3.155 -10.114 1.00 0.00 H new ATOM 1639 N TYR A 109 10.968 1.635 -2.953 1.00 0.00 N ATOM 1640 CA TYR A 109 10.250 2.762 -2.271 1.00 0.00 C ATOM 1641 C TYR A 109 9.743 2.361 -0.860 1.00 0.00 C ATOM 1642 O TYR A 109 10.085 3.008 0.133 1.00 0.00 O ATOM 1643 CB TYR A 109 9.062 3.261 -3.151 1.00 0.00 C ATOM 1644 CG TYR A 109 9.512 3.899 -4.485 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.872 3.114 -5.575 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.605 5.283 -4.638 1.00 0.00 C ATOM 1647 CE1 TYR A 109 10.315 3.669 -6.760 1.00 0.00 C ATOM 1648 CE2 TYR A 109 10.038 5.850 -5.827 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.397 5.036 -6.882 1.00 0.00 C ATOM 1650 OH TYR A 109 10.859 5.593 -8.058 1.00 0.00 O ATOM 0 H TYR A 109 10.381 0.818 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 109 10.967 3.573 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.399 2.422 -3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.482 3.990 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.803 2.039 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.334 5.926 -3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.595 3.032 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.094 6.924 -5.927 1.00 0.00 H new ATOM 0 HH TYR A 109 10.133 5.616 -8.716 1.00 0.00 H new ATOM 1660 N VAL A 110 8.912 1.309 -0.790 1.00 0.00 N ATOM 1661 CA VAL A 110 8.286 0.837 0.475 1.00 0.00 C ATOM 1662 C VAL A 110 9.054 -0.366 1.083 1.00 0.00 C ATOM 1663 O VAL A 110 9.013 -0.576 2.296 1.00 0.00 O ATOM 1664 CB VAL A 110 6.772 0.446 0.240 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.607 -0.731 -0.751 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.051 0.140 1.568 1.00 0.00 C ATOM 0 H VAL A 110 8.649 0.755 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 110 8.335 1.663 1.185 1.00 0.00 H new ATOM 0 HB VAL A 110 6.302 1.319 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.548 -0.957 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.035 -0.457 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.122 -1.609 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.013 -0.125 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.547 -0.692 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.083 1.020 2.210 1.00 0.00 H new ATOM 1676 N SER A 111 9.754 -1.120 0.204 1.00 0.00 N ATOM 1677 CA SER A 111 10.455 -2.396 0.519 1.00 0.00 C ATOM 1678 C SER A 111 9.484 -3.589 0.625 1.00 0.00 C ATOM 1679 O SER A 111 8.320 -3.450 1.015 1.00 0.00 O ATOM 1680 CB SER A 111 11.358 -2.318 1.786 1.00 0.00 C ATOM 1681 OG SER A 111 11.997 -3.559 2.072 1.00 0.00 O ATOM 0 H SER A 111 9.852 -0.853 -0.775 1.00 0.00 H new ATOM 0 HA SER A 111 11.115 -2.565 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.115 -1.547 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.754 -2.017 2.642 1.00 0.00 H new ATOM 0 HG SER A 111 12.554 -3.463 2.873 1.00 0.00 H new ATOM 1687 N LEU A 112 10.010 -4.771 0.268 1.00 0.00 N ATOM 1688 CA LEU A 112 9.287 -6.056 0.300 1.00 0.00 C ATOM 1689 C LEU A 112 8.813 -6.449 1.721 1.00 0.00 C ATOM 1690 O LEU A 112 7.721 -6.996 1.869 1.00 0.00 O ATOM 1691 CB LEU A 112 10.197 -7.149 -0.339 1.00 0.00 C ATOM 1692 CG LEU A 112 9.765 -8.663 -0.205 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.159 -9.485 -1.454 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.359 -9.325 1.074 1.00 0.00 C ATOM 0 H LEU A 112 10.972 -4.864 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 112 8.370 -5.956 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.290 -6.924 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.191 -7.048 0.096 1.00 0.00 H new ATOM 0 HG LEU A 112 8.678 -8.665 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.845 -10.520 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.670 -9.067 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.240 -9.448 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.038 -10.365 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.447 -9.283 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.008 -8.791 1.957 1.00 0.00 H new ATOM 1706 N ALA A 113 9.626 -6.156 2.753 1.00 0.00 N ATOM 1707 CA ALA A 113 9.349 -6.600 4.147 1.00 0.00 C ATOM 1708 C ALA A 113 8.020 -6.024 4.694 1.00 0.00 C ATOM 1709 O ALA A 113 7.309 -6.686 5.453 1.00 0.00 O ATOM 1710 CB ALA A 113 10.519 -6.223 5.066 1.00 0.00 C ATOM 0 H ALA A 113 10.484 -5.613 2.655 1.00 0.00 H new ATOM 0 HA ALA A 113 9.242 -7.685 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.304 -6.553 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.430 -6.706 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.655 -5.142 5.057 1.00 0.00 H new ATOM 1716 N ASP A 114 7.709 -4.789 4.283 1.00 0.00 N ATOM 1717 CA ASP A 114 6.453 -4.092 4.630 1.00 0.00 C ATOM 1718 C ASP A 114 5.232 -4.729 3.912 1.00 0.00 C ATOM 1719 O ASP A 114 4.136 -4.808 4.479 1.00 0.00 O ATOM 1720 CB ASP A 114 6.590 -2.597 4.259 1.00 0.00 C ATOM 1721 CG ASP A 114 7.765 -1.916 4.997 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.944 -2.252 4.709 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.528 -1.065 5.878 1.00 0.00 O ATOM 0 H ASP A 114 8.327 -4.233 3.692 1.00 0.00 H new ATOM 0 HA ASP A 114 6.279 -4.189 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.736 -2.504 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.662 -2.078 4.501 1.00 0.00 H new ATOM 1728 N LEU A 115 5.467 -5.221 2.679 1.00 0.00 N ATOM 1729 CA LEU A 115 4.425 -5.860 1.836 1.00 0.00 C ATOM 1730 C LEU A 115 3.999 -7.224 2.442 1.00 0.00 C ATOM 1731 O LEU A 115 2.812 -7.528 2.597 1.00 0.00 O ATOM 1732 CB LEU A 115 4.976 -6.079 0.397 1.00 0.00 C ATOM 1733 CG LEU A 115 5.522 -4.823 -0.350 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.213 -5.200 -1.672 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.418 -3.802 -0.617 1.00 0.00 C ATOM 0 H LEU A 115 6.385 -5.189 2.235 1.00 0.00 H new ATOM 0 HA LEU A 115 3.555 -5.204 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.777 -6.817 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.180 -6.514 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 115 6.263 -4.370 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.579 -4.298 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.050 -5.867 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.500 -5.703 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.837 -2.941 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.642 -4.257 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.986 -3.477 0.330 1.00 0.00 H new ATOM 1747 N GLN A 116 5.022 -8.017 2.788 1.00 0.00 N ATOM 1748 CA GLN A 116 4.885 -9.400 3.300 1.00 0.00 C ATOM 1749 C GLN A 116 4.291 -9.429 4.723 1.00 0.00 C ATOM 1750 O GLN A 116 3.486 -10.300 5.054 1.00 0.00 O ATOM 1751 CB GLN A 116 6.288 -10.053 3.290 1.00 0.00 C ATOM 1752 CG GLN A 116 6.972 -10.082 1.899 1.00 0.00 C ATOM 1753 CD GLN A 116 6.820 -11.386 1.106 1.00 0.00 C ATOM 1754 OE1 GLN A 116 6.663 -12.464 1.661 1.00 0.00 O ATOM 1755 NE2 GLN A 116 6.899 -11.300 -0.211 1.00 0.00 N ATOM 0 H GLN A 116 5.994 -7.714 2.720 1.00 0.00 H new ATOM 0 HA GLN A 116 4.197 -9.953 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.931 -9.514 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.202 -11.075 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.568 -9.266 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.035 -9.883 2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.030 -10.392 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.829 -12.142 -0.782 1.00 0.00 H new ATOM 1764 N ALA A 117 4.699 -8.446 5.547 1.00 0.00 N ATOM 1765 CA ALA A 117 4.210 -8.283 6.945 1.00 0.00 C ATOM 1766 C ALA A 117 2.661 -8.124 7.059 1.00 0.00 C ATOM 1767 O ALA A 117 2.100 -8.278 8.149 1.00 0.00 O ATOM 1768 CB ALA A 117 4.922 -7.097 7.606 1.00 0.00 C ATOM 0 H ALA A 117 5.378 -7.737 5.270 1.00 0.00 H new ATOM 0 HA ALA A 117 4.451 -9.208 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.562 -6.980 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.997 -7.279 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.714 -6.188 7.042 1.00 0.00 H new ATOM 1774 N HIS A 118 1.984 -7.804 5.937 1.00 0.00 N ATOM 1775 CA HIS A 118 0.499 -7.761 5.861 1.00 0.00 C ATOM 1776 C HIS A 118 -0.031 -8.516 4.610 1.00 0.00 C ATOM 1777 O HIS A 118 -1.011 -8.098 3.986 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.012 -6.278 5.927 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.418 -5.857 7.321 1.00 0.00 C ATOM 1780 ND1 HIS A 118 0.458 -5.337 8.252 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.621 -5.913 7.943 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.186 -5.105 9.379 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -1.444 -5.443 9.217 1.00 0.00 N ATOM 0 H HIS A 118 2.444 -7.568 5.058 1.00 0.00 H new ATOM 0 HA HIS A 118 0.095 -8.284 6.728 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.772 -5.612 5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.863 -6.162 5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.548 -6.263 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.248 -4.704 10.283 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.173 -5.368 9.926 1.00 0.00 H new ATOM 1792 N ALA A 119 0.607 -9.660 4.289 1.00 0.00 N ATOM 1793 CA ALA A 119 0.110 -10.605 3.260 1.00 0.00 C ATOM 1794 C ALA A 119 0.594 -12.052 3.543 1.00 0.00 C ATOM 1795 O ALA A 119 -0.220 -12.950 3.782 1.00 0.00 O ATOM 1796 CB ALA A 119 0.541 -10.148 1.866 1.00 0.00 C ATOM 0 H ALA A 119 1.477 -9.957 4.731 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.979 -10.609 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.169 -10.852 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.133 -9.157 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.629 -10.109 1.816 1.00 0.00 H new ATOM 1802 N LEU A 120 1.926 -12.264 3.509 1.00 0.00 N ATOM 1803 CA LEU A 120 2.562 -13.577 3.793 1.00 0.00 C ATOM 1804 C LEU A 120 3.885 -13.350 4.569 1.00 0.00 C ATOM 1805 O LEU A 120 4.845 -12.828 3.995 1.00 0.00 O ATOM 1806 CB LEU A 120 2.831 -14.359 2.473 1.00 0.00 C ATOM 1807 CG LEU A 120 3.592 -15.724 2.602 1.00 0.00 C ATOM 1808 CD1 LEU A 120 2.753 -16.752 3.381 1.00 0.00 C ATOM 1809 CD2 LEU A 120 4.015 -16.273 1.214 1.00 0.00 C ATOM 0 H LEU A 120 2.597 -11.530 3.283 1.00 0.00 H new ATOM 0 HA LEU A 120 1.884 -14.175 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.873 -14.549 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.402 -13.713 1.806 1.00 0.00 H new ATOM 0 HG LEU A 120 4.505 -15.542 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.304 -17.690 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.548 -16.371 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.812 -16.925 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.540 -17.220 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.129 -16.429 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.674 -15.556 0.725 1.00 0.00 H new ATOM 1821 N PRO A 121 3.964 -13.739 5.880 1.00 0.00 N ATOM 1822 CA PRO A 121 5.117 -13.397 6.750 1.00 0.00 C ATOM 1823 C PRO A 121 6.370 -14.284 6.475 1.00 0.00 C ATOM 1824 O PRO A 121 6.623 -15.280 7.168 1.00 0.00 O ATOM 1825 CB PRO A 121 4.534 -13.596 8.175 1.00 0.00 C ATOM 1826 CG PRO A 121 3.494 -14.674 8.020 1.00 0.00 C ATOM 1827 CD PRO A 121 2.956 -14.566 6.599 1.00 0.00 C ATOM 0 HA PRO A 121 5.496 -12.389 6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.309 -13.893 8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.094 -12.674 8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.928 -15.658 8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 121 2.693 -14.545 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 121 2.848 -15.549 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.972 -14.097 6.582 1.00 0.00 H new ATOM 1835 N VAL A 122 7.131 -13.908 5.425 1.00 0.00 N ATOM 1836 CA VAL A 122 8.353 -14.626 4.990 1.00 0.00 C ATOM 1837 C VAL A 122 9.470 -14.559 6.076 1.00 0.00 C ATOM 1838 O VAL A 122 9.664 -13.517 6.720 1.00 0.00 O ATOM 1839 CB VAL A 122 8.873 -14.044 3.611 1.00 0.00 C ATOM 1840 CG1 VAL A 122 9.333 -12.566 3.732 1.00 0.00 C ATOM 1841 CG2 VAL A 122 9.981 -14.930 2.992 1.00 0.00 C ATOM 0 H VAL A 122 6.915 -13.093 4.851 1.00 0.00 H new ATOM 0 HA VAL A 122 8.095 -15.676 4.850 1.00 0.00 H new ATOM 0 HB VAL A 122 8.023 -14.059 2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.681 -12.212 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.497 -11.951 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 122 10.145 -12.496 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.309 -14.495 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 122 10.826 -14.988 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.589 -15.931 2.814 1.00 0.00 H new ATOM 1851 N LEU A 123 10.179 -15.684 6.304 1.00 0.00 N ATOM 1852 CA LEU A 123 11.286 -15.750 7.294 1.00 0.00 C ATOM 1853 C LEU A 123 12.671 -15.668 6.609 1.00 0.00 C ATOM 1854 O LEU A 123 13.703 -15.564 7.276 1.00 0.00 O ATOM 1855 CB LEU A 123 11.138 -17.007 8.177 1.00 0.00 C ATOM 1856 CG LEU A 123 11.197 -18.402 7.464 1.00 0.00 C ATOM 1857 CD1 LEU A 123 12.596 -19.055 7.561 1.00 0.00 C ATOM 1858 CD2 LEU A 123 10.099 -19.328 8.008 1.00 0.00 C ATOM 0 H LEU A 123 10.008 -16.564 5.817 1.00 0.00 H new ATOM 0 HA LEU A 123 11.220 -14.879 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.923 -16.982 8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.186 -16.938 8.704 1.00 0.00 H new ATOM 0 HG LEU A 123 11.012 -18.237 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.584 -20.019 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.334 -18.405 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 123 12.857 -19.202 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 123 10.153 -20.292 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 123 10.241 -19.471 9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.122 -18.879 7.828 1.00 0.00 H new ATOM 1870 N GLU A 124 12.661 -15.683 5.264 1.00 0.00 N ATOM 1871 CA GLU A 124 13.864 -15.522 4.409 1.00 0.00 C ATOM 1872 C GLU A 124 14.215 -14.020 4.181 1.00 0.00 C ATOM 1873 O GLU A 124 14.763 -13.652 3.130 1.00 0.00 O ATOM 1874 CB GLU A 124 13.646 -16.235 3.034 1.00 0.00 C ATOM 1875 CG GLU A 124 13.610 -17.783 3.070 1.00 0.00 C ATOM 1876 CD GLU A 124 12.405 -18.415 3.802 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.325 -17.796 3.867 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.527 -19.570 4.261 1.00 0.00 O ATOM 0 H GLU A 124 11.804 -15.809 4.725 1.00 0.00 H new ATOM 0 HA GLU A 124 14.703 -15.984 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.708 -15.879 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.442 -15.926 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.620 -18.151 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.525 -18.137 3.545 1.00 0.00 H new ATOM 1885 N HIS A 125 13.907 -13.168 5.177 1.00 0.00 N ATOM 1886 CA HIS A 125 14.329 -11.755 5.181 1.00 0.00 C ATOM 1887 C HIS A 125 15.868 -11.669 5.312 1.00 0.00 C ATOM 1888 O HIS A 125 16.430 -12.065 6.336 1.00 0.00 O ATOM 1889 CB HIS A 125 13.645 -10.988 6.347 1.00 0.00 C ATOM 1890 CG HIS A 125 14.054 -9.532 6.467 1.00 0.00 C ATOM 1891 ND1 HIS A 125 13.594 -8.551 5.615 1.00 0.00 N ATOM 1892 CD2 HIS A 125 14.905 -8.902 7.326 1.00 0.00 C ATOM 1893 CE1 HIS A 125 14.139 -7.393 5.935 1.00 0.00 C ATOM 1894 NE2 HIS A 125 14.939 -7.579 6.964 1.00 0.00 N ATOM 0 H HIS A 125 13.362 -13.438 5.996 1.00 0.00 H new ATOM 0 HA HIS A 125 14.026 -11.293 4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.564 -11.039 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.875 -11.496 7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.450 -9.359 8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 125 13.959 -6.452 5.437 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.495 -6.855 7.419 1.00 0.00 H new ATOM 1903 N HIS A 126 16.534 -11.170 4.258 1.00 0.00 N ATOM 1904 CA HIS A 126 18.010 -11.013 4.221 1.00 0.00 C ATOM 1905 C HIS A 126 18.412 -9.539 3.984 1.00 0.00 C ATOM 1906 O HIS A 126 17.729 -8.799 3.261 1.00 0.00 O ATOM 1907 CB HIS A 126 18.619 -11.948 3.139 1.00 0.00 C ATOM 1908 CG HIS A 126 18.572 -13.408 3.509 1.00 0.00 C ATOM 1909 ND1 HIS A 126 17.556 -14.253 3.125 1.00 0.00 N ATOM 1910 CD2 HIS A 126 19.415 -14.163 4.251 1.00 0.00 C ATOM 1911 CE1 HIS A 126 17.772 -15.457 3.606 1.00 0.00 C ATOM 1912 NE2 HIS A 126 18.892 -15.431 4.294 1.00 0.00 N ATOM 0 H HIS A 126 16.070 -10.862 3.403 1.00 0.00 H new ATOM 0 HA HIS A 126 18.413 -11.303 5.192 1.00 0.00 H new ATOM 0 HB2 HIS A 126 18.083 -11.802 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 126 19.655 -11.659 2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 126 16.755 -13.985 2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 126 20.328 -13.830 4.721 1.00 0.00 H new ATOM 0 HE1 HIS A 126 17.138 -16.319 3.461 1.00 0.00 H new ATOM 1921 N HIS A 127 19.537 -9.136 4.602 1.00 0.00 N ATOM 1922 CA HIS A 127 20.067 -7.760 4.547 1.00 0.00 C ATOM 1923 C HIS A 127 20.792 -7.514 3.197 1.00 0.00 C ATOM 1924 O HIS A 127 21.861 -8.085 2.957 1.00 0.00 O ATOM 1925 CB HIS A 127 21.024 -7.544 5.748 1.00 0.00 C ATOM 1926 CG HIS A 127 21.510 -6.130 5.918 1.00 0.00 C ATOM 1927 ND1 HIS A 127 20.758 -5.157 6.533 1.00 0.00 N ATOM 1928 CD2 HIS A 127 22.675 -5.530 5.568 1.00 0.00 C ATOM 1929 CE1 HIS A 127 21.428 -4.026 6.552 1.00 0.00 C ATOM 1930 NE2 HIS A 127 22.595 -4.223 5.975 1.00 0.00 N ATOM 0 H HIS A 127 20.112 -9.765 5.162 1.00 0.00 H new ATOM 0 HA HIS A 127 19.248 -7.043 4.613 1.00 0.00 H new ATOM 0 HB2 HIS A 127 20.514 -7.851 6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 127 21.887 -8.199 5.630 1.00 0.00 H new ATOM 0 HD2 HIS A 127 23.509 -5.995 5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 127 21.080 -3.093 6.970 1.00 0.00 H new ATOM 0 HE2 HIS A 127 23.322 -3.518 5.851 1.00 0.00 H new ATOM 1939 N HIS A 128 20.190 -6.652 2.341 1.00 0.00 N ATOM 1940 CA HIS A 128 20.651 -6.387 0.950 1.00 0.00 C ATOM 1941 C HIS A 128 20.588 -7.673 0.065 1.00 0.00 C ATOM 1942 O HIS A 128 19.624 -7.867 -0.682 1.00 0.00 O ATOM 1943 CB HIS A 128 22.072 -5.745 0.912 1.00 0.00 C ATOM 1944 CG HIS A 128 22.170 -4.333 1.441 1.00 0.00 C ATOM 1945 ND1 HIS A 128 23.043 -3.401 0.920 1.00 0.00 N ATOM 1946 CD2 HIS A 128 21.536 -3.703 2.465 1.00 0.00 C ATOM 1947 CE1 HIS A 128 22.941 -2.273 1.589 1.00 0.00 C ATOM 1948 NE2 HIS A 128 22.036 -2.428 2.530 1.00 0.00 N ATOM 0 H HIS A 128 19.362 -6.114 2.597 1.00 0.00 H new ATOM 0 HA HIS A 128 19.959 -5.660 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 128 22.751 -6.376 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 128 22.426 -5.752 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 128 20.779 -4.128 3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 128 23.505 -1.372 1.398 1.00 0.00 H new ATOM 0 HE2 HIS A 128 21.751 -1.714 3.201 1.00 0.00 H new ATOM 1957 N HIS A 129 21.624 -8.533 0.180 1.00 0.00 N ATOM 1958 CA HIS A 129 21.733 -9.833 -0.542 1.00 0.00 C ATOM 1959 C HIS A 129 22.992 -10.600 -0.061 1.00 0.00 C ATOM 1960 O HIS A 129 22.952 -11.815 0.154 1.00 0.00 O ATOM 1961 CB HIS A 129 21.762 -9.644 -2.098 1.00 0.00 C ATOM 1962 CG HIS A 129 22.863 -8.741 -2.615 1.00 0.00 C ATOM 1963 ND1 HIS A 129 22.689 -7.390 -2.835 1.00 0.00 N ATOM 1964 CD2 HIS A 129 24.151 -9.003 -2.954 1.00 0.00 C ATOM 1965 CE1 HIS A 129 23.813 -6.866 -3.283 1.00 0.00 C ATOM 1966 NE2 HIS A 129 24.714 -7.821 -3.362 1.00 0.00 N ATOM 0 H HIS A 129 22.424 -8.346 0.785 1.00 0.00 H new ATOM 0 HA HIS A 129 20.843 -10.418 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 129 21.867 -10.623 -2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 129 20.802 -9.239 -2.417 1.00 0.00 H new ATOM 0 HD2 HIS A 129 24.641 -9.964 -2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 129 23.968 -5.829 -3.541 1.00 0.00 H new ATOM 0 HE2 HIS A 129 25.677 -7.702 -3.676 1.00 0.00 H new ATOM 1975 N HIS A 130 24.097 -9.842 0.111 1.00 0.00 N ATOM 1976 CA HIS A 130 25.427 -10.365 0.504 1.00 0.00 C ATOM 1977 C HIS A 130 26.397 -9.177 0.780 1.00 0.00 C ATOM 1978 O HIS A 130 26.747 -8.938 1.955 1.00 0.00 O ATOM 1979 CB HIS A 130 26.007 -11.311 -0.592 1.00 0.00 C ATOM 1980 CG HIS A 130 27.397 -11.823 -0.304 1.00 0.00 C ATOM 1981 ND1 HIS A 130 27.696 -12.642 0.767 1.00 0.00 N ATOM 1982 CD2 HIS A 130 28.572 -11.613 -0.945 1.00 0.00 C ATOM 1983 CE1 HIS A 130 28.986 -12.903 0.775 1.00 0.00 C ATOM 1984 NE2 HIS A 130 29.539 -12.293 -0.252 1.00 0.00 N ATOM 1985 OXT HIS A 130 26.769 -8.468 -0.186 1.00 0.00 O ATOM 0 H HIS A 130 24.091 -8.831 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 130 25.315 -10.952 1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 130 25.337 -12.163 -0.711 1.00 0.00 H new ATOM 0 HB3 HIS A 130 26.019 -10.780 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 130 28.719 -11.020 -1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 130 29.503 -13.514 1.501 1.00 0.00 H new ATOM 0 HE2 HIS A 130 30.530 -12.322 -0.494 1.00 0.00 H new TER 1994 HIS A 130