USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -4.96! C(o=-5.8!,f=-21!) USER MOD Set 1.2: A 96 THR OG1 : rot 164:sc= -0.869! USER MOD Set 2.1: A 73 SER OG : rot 62:sc= -1.68! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -5.32! C(o=-7!,f=-7.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.67 K(o=-0.67,f=-1.2) USER MOD Single : A 19 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.6!) USER MOD Single : A 29 SER OG : rot -60:sc= -0.141 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 33 TYR OH : rot -160:sc= 0.916 USER MOD Single : A 34 SER OG : rot 17:sc= 0.0011 USER MOD Single : A 36 ASN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD Single : A 37 SER OG : rot 40:sc= 0.122 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -4.13! K(o=-4.1!,f=-2.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -70:sc= 0.671 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -66:sc= 0.992 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 165:sc= -0.0223 (180deg=-0.321) USER MOD Single : A 60 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.058) USER MOD Single : A 68 SER OG : rot -15:sc= 0.449! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0379 X(o=0.038,f=0) USER MOD Single : A 85 TYR OH : rot 90:sc= -3.08 USER MOD Single : A 89 TYR OH : rot -130:sc= -0.44 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 70:sc= 1.87 USER MOD Single : A 97 TYR OH : rot 76:sc= -2.58 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -2.99 K(o=-3,f=-7.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 81:sc= 0.318 USER MOD Single : A 108 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.3) USER MOD Single : A 109 SER OG : rot 171:sc= -7.16! USER MOD Single : A 114 SER OG : rot 63:sc=-0.00688 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 125 GLN : amide:sc= -0.0324 K(o=-0.032,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -33.753 -4.389 -0.222 1.00 0.00 N ATOM 2 CA ARG A 7 -33.615 -2.951 -0.025 1.00 0.00 C ATOM 3 C ARG A 7 -32.201 -2.594 0.423 1.00 0.00 C ATOM 4 O ARG A 7 -32.014 -1.874 1.403 1.00 0.00 O ATOM 5 CB ARG A 7 -34.626 -2.461 1.014 1.00 0.00 C ATOM 6 CG ARG A 7 -35.994 -2.143 0.432 1.00 0.00 C ATOM 7 CD ARG A 7 -36.882 -1.442 1.447 1.00 0.00 C ATOM 8 NE ARG A 7 -37.800 -2.369 2.105 1.00 0.00 N ATOM 9 CZ ARG A 7 -38.954 -2.764 1.576 1.00 0.00 C ATOM 10 NH1 ARG A 7 -39.331 -2.315 0.387 1.00 0.00 N ATOM 11 NH2 ARG A 7 -39.733 -3.609 2.237 1.00 0.00 N ATOM 0 HA ARG A 7 -33.810 -2.459 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -34.737 -3.222 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -34.231 -1.569 1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.878 -1.512 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.474 -3.065 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -36.260 -0.954 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -37.453 -0.659 0.949 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.541 -2.734 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -38.735 -1.664 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -40.217 -2.620 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -39.447 -3.957 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -40.618 -3.911 1.830 1.00 0.00 H new ATOM 25 N ARG A 8 -31.208 -3.102 -0.301 1.00 0.00 N ATOM 26 CA ARG A 8 -29.813 -2.840 0.027 1.00 0.00 C ATOM 27 C ARG A 8 -29.338 -1.530 -0.593 1.00 0.00 C ATOM 28 O ARG A 8 -30.132 -0.761 -1.135 1.00 0.00 O ATOM 29 CB ARG A 8 -28.932 -3.993 -0.453 1.00 0.00 C ATOM 30 CG ARG A 8 -28.750 -4.038 -1.961 1.00 0.00 C ATOM 31 CD ARG A 8 -28.238 -5.394 -2.414 1.00 0.00 C ATOM 32 NE ARG A 8 -27.156 -5.273 -3.387 1.00 0.00 N ATOM 33 CZ ARG A 8 -26.589 -6.313 -3.991 1.00 0.00 C ATOM 34 NH1 ARG A 8 -25.609 -6.122 -4.864 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.001 -7.544 -3.721 1.00 0.00 N ATOM 0 H ARG A 8 -31.345 -3.697 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 8 -29.733 -2.754 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.953 -3.911 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -29.369 -4.935 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -29.700 -3.823 -2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -28.050 -3.261 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.886 -5.956 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -29.058 -5.963 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.816 -4.339 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.289 -5.176 -5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.175 -6.921 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.754 -7.694 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.565 -8.341 -4.185 1.00 0.00 H new ATOM 49 N CYS A 9 -28.035 -1.288 -0.513 1.00 0.00 N ATOM 50 CA CYS A 9 -27.440 -0.076 -1.060 1.00 0.00 C ATOM 51 C CYS A 9 -26.948 -0.304 -2.486 1.00 0.00 C ATOM 52 O CYS A 9 -26.787 -1.444 -2.921 1.00 0.00 O ATOM 53 CB CYS A 9 -26.284 0.379 -0.174 1.00 0.00 C ATOM 54 SG CYS A 9 -26.797 1.355 1.276 1.00 0.00 S ATOM 0 H CYS A 9 -27.367 -1.920 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.204 0.701 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.735 -0.499 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.594 0.973 -0.773 1.00 0.00 H new ATOM 59 N PRO A 10 -26.708 0.783 -3.240 1.00 0.00 N ATOM 60 CA PRO A 10 -26.239 0.691 -4.624 1.00 0.00 C ATOM 61 C PRO A 10 -24.801 0.196 -4.712 1.00 0.00 C ATOM 62 O PRO A 10 -24.157 -0.051 -3.692 1.00 0.00 O ATOM 63 CB PRO A 10 -26.350 2.125 -5.141 1.00 0.00 C ATOM 64 CG PRO A 10 -26.259 2.975 -3.924 1.00 0.00 C ATOM 65 CD PRO A 10 -26.874 2.182 -2.804 1.00 0.00 C ATOM 0 HA PRO A 10 -26.822 -0.024 -5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.550 2.355 -5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.292 2.285 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.221 3.223 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.788 3.917 -4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.370 2.369 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.924 2.436 -2.662 1.00 0.00 H new ATOM 73 N SER A 11 -24.305 0.044 -5.934 1.00 0.00 N ATOM 74 CA SER A 11 -22.947 -0.438 -6.149 1.00 0.00 C ATOM 75 C SER A 11 -21.926 0.474 -5.469 1.00 0.00 C ATOM 76 O SER A 11 -21.682 1.589 -5.929 1.00 0.00 O ATOM 77 CB SER A 11 -22.647 -0.527 -7.647 1.00 0.00 C ATOM 78 OG SER A 11 -21.312 -0.944 -7.877 1.00 0.00 O ATOM 0 H SER A 11 -24.822 0.247 -6.789 1.00 0.00 H new ATOM 0 HA SER A 11 -22.869 -1.431 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.336 -1.228 -8.118 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.813 0.445 -8.112 1.00 0.00 H new ATOM 0 HG SER A 11 -21.147 -0.994 -8.842 1.00 0.00 H new ATOM 84 N PRO A 12 -21.305 0.012 -4.366 1.00 0.00 N ATOM 85 CA PRO A 12 -20.323 0.807 -3.638 1.00 0.00 C ATOM 86 C PRO A 12 -19.253 1.383 -4.557 1.00 0.00 C ATOM 87 O PRO A 12 -18.879 0.767 -5.554 1.00 0.00 O ATOM 88 CB PRO A 12 -19.691 -0.170 -2.642 1.00 0.00 C ATOM 89 CG PRO A 12 -20.339 -1.499 -2.854 1.00 0.00 C ATOM 90 CD PRO A 12 -21.533 -1.296 -3.740 1.00 0.00 C ATOM 0 HA PRO A 12 -20.793 1.664 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.615 -0.237 -2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.842 0.173 -1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.638 -2.196 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.641 -1.932 -1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.612 -2.086 -4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.460 -1.306 -3.166 1.00 0.00 H new ATOM 98 N ARG A 13 -18.766 2.571 -4.213 1.00 0.00 N ATOM 99 CA ARG A 13 -17.726 3.220 -4.998 1.00 0.00 C ATOM 100 C ARG A 13 -16.488 2.350 -5.050 1.00 0.00 C ATOM 101 O ARG A 13 -16.223 1.564 -4.141 1.00 0.00 O ATOM 102 CB ARG A 13 -17.382 4.590 -4.415 1.00 0.00 C ATOM 103 CG ARG A 13 -17.103 5.645 -5.472 1.00 0.00 C ATOM 104 CD ARG A 13 -17.416 7.042 -4.962 1.00 0.00 C ATOM 105 NE ARG A 13 -16.282 7.636 -4.259 1.00 0.00 N ATOM 106 CZ ARG A 13 -16.389 8.670 -3.431 1.00 0.00 C ATOM 107 NH1 ARG A 13 -17.574 9.219 -3.203 1.00 0.00 N ATOM 108 NH2 ARG A 13 -15.312 9.154 -2.828 1.00 0.00 N ATOM 0 H ARG A 13 -19.075 3.101 -3.398 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.101 3.362 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.207 4.926 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.508 4.493 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.057 5.592 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.700 5.439 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -17.697 7.679 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -18.275 6.999 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.357 7.235 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -18.405 8.848 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.655 10.013 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.399 8.733 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.396 9.948 -2.193 1.00 0.00 H new ATOM 122 N ASP A 14 -15.739 2.492 -6.127 1.00 0.00 N ATOM 123 CA ASP A 14 -14.578 1.674 -6.353 1.00 0.00 C ATOM 124 C ASP A 14 -13.289 2.381 -5.951 1.00 0.00 C ATOM 125 O ASP A 14 -13.306 3.508 -5.456 1.00 0.00 O ATOM 126 CB ASP A 14 -14.549 1.291 -7.828 1.00 0.00 C ATOM 127 CG ASP A 14 -14.083 2.421 -8.730 1.00 0.00 C ATOM 128 OD1 ASP A 14 -13.455 2.130 -9.770 1.00 0.00 O ATOM 129 OD2 ASP A 14 -14.348 3.595 -8.396 1.00 0.00 O ATOM 0 H ASP A 14 -15.922 3.175 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.644 0.783 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.890 0.433 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.547 0.977 -8.135 1.00 0.00 H new ATOM 134 N ILE A 15 -12.174 1.700 -6.175 1.00 0.00 N ATOM 135 CA ILE A 15 -10.860 2.241 -5.855 1.00 0.00 C ATOM 136 C ILE A 15 -9.848 1.857 -6.932 1.00 0.00 C ATOM 137 O ILE A 15 -10.014 0.848 -7.618 1.00 0.00 O ATOM 138 CB ILE A 15 -10.371 1.749 -4.478 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.961 2.265 -4.189 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.410 0.231 -4.409 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.631 2.310 -2.715 1.00 0.00 C ATOM 0 H ILE A 15 -12.154 0.764 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.950 3.327 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.042 2.145 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.237 1.628 -4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.855 3.265 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.061 -0.098 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.432 -0.114 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.764 -0.185 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.616 2.685 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.333 2.970 -2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.706 1.307 -2.295 1.00 0.00 H new ATOM 153 N ASP A 16 -8.817 2.678 -7.095 1.00 0.00 N ATOM 154 CA ASP A 16 -7.806 2.433 -8.117 1.00 0.00 C ATOM 155 C ASP A 16 -6.685 1.545 -7.594 1.00 0.00 C ATOM 156 O ASP A 16 -6.517 0.412 -8.045 1.00 0.00 O ATOM 157 CB ASP A 16 -7.227 3.759 -8.617 1.00 0.00 C ATOM 158 CG ASP A 16 -6.723 3.669 -10.045 1.00 0.00 C ATOM 159 OD1 ASP A 16 -5.550 4.026 -10.284 1.00 0.00 O ATOM 160 OD2 ASP A 16 -7.502 3.245 -10.924 1.00 0.00 O ATOM 0 H ASP A 16 -8.659 3.516 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.291 1.914 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.992 4.533 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.409 4.064 -7.965 1.00 0.00 H new ATOM 165 N ASN A 17 -5.914 2.066 -6.648 1.00 0.00 N ATOM 166 CA ASN A 17 -4.796 1.323 -6.084 1.00 0.00 C ATOM 167 C ASN A 17 -5.223 0.524 -4.857 1.00 0.00 C ATOM 168 O ASN A 17 -4.492 0.447 -3.870 1.00 0.00 O ATOM 169 CB ASN A 17 -3.663 2.279 -5.720 1.00 0.00 C ATOM 170 CG ASN A 17 -2.960 2.802 -6.940 1.00 0.00 C ATOM 171 OD1 ASN A 17 -2.187 2.091 -7.582 1.00 0.00 O ATOM 172 ND2 ASN A 17 -3.226 4.045 -7.270 1.00 0.00 N ATOM 0 H ASN A 17 -6.043 2.999 -6.256 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.445 0.618 -6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.063 3.114 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.946 1.765 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.784 4.461 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.874 4.595 -6.706 1.00 0.00 H new ATOM 179 N GLY A 18 -6.409 -0.075 -4.926 1.00 0.00 N ATOM 180 CA GLY A 18 -6.902 -0.861 -3.810 1.00 0.00 C ATOM 181 C GLY A 18 -7.996 -1.831 -4.210 1.00 0.00 C ATOM 182 O GLY A 18 -8.360 -1.919 -5.383 1.00 0.00 O ATOM 0 H GLY A 18 -7.034 -0.030 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.074 -1.416 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.282 -0.190 -3.039 1.00 0.00 H new ATOM 186 N GLN A 19 -8.508 -2.575 -3.233 1.00 0.00 N ATOM 187 CA GLN A 19 -9.570 -3.544 -3.482 1.00 0.00 C ATOM 188 C GLN A 19 -10.621 -3.484 -2.379 1.00 0.00 C ATOM 189 O GLN A 19 -10.302 -3.619 -1.198 1.00 0.00 O ATOM 190 CB GLN A 19 -9.002 -4.966 -3.571 1.00 0.00 C ATOM 191 CG GLN A 19 -7.567 -5.033 -4.072 1.00 0.00 C ATOM 192 CD GLN A 19 -7.324 -6.217 -4.988 1.00 0.00 C ATOM 193 OE1 GLN A 19 -8.223 -6.654 -5.707 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.105 -6.741 -4.967 1.00 0.00 N ATOM 0 H GLN A 19 -8.204 -2.525 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.036 -3.289 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.053 -5.428 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.634 -5.557 -4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.328 -4.112 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.891 -5.093 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.391 -6.346 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.882 -7.538 -5.563 1.00 0.00 H new ATOM 203 N LEU A 20 -11.876 -3.288 -2.769 1.00 0.00 N ATOM 204 CA LEU A 20 -12.967 -3.212 -1.808 1.00 0.00 C ATOM 205 C LEU A 20 -13.190 -4.553 -1.119 1.00 0.00 C ATOM 206 O LEU A 20 -12.878 -5.608 -1.670 1.00 0.00 O ATOM 207 CB LEU A 20 -14.249 -2.772 -2.506 1.00 0.00 C ATOM 208 CG LEU A 20 -14.430 -1.261 -2.621 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.696 -0.947 -3.392 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.223 -0.625 -3.293 1.00 0.00 C ATOM 0 H LEU A 20 -12.161 -3.179 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.696 -2.478 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.267 -3.203 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.100 -3.186 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.518 -0.843 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.817 0.134 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.629 -1.377 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.554 -1.372 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.372 0.452 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.329 -0.829 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.101 -1.042 -4.293 1.00 0.00 H new ATOM 222 N ASP A 21 -13.741 -4.501 0.087 1.00 0.00 N ATOM 223 CA ASP A 21 -14.044 -5.706 0.851 1.00 0.00 C ATOM 224 C ASP A 21 -15.499 -5.683 1.297 1.00 0.00 C ATOM 225 O ASP A 21 -15.800 -5.402 2.458 1.00 0.00 O ATOM 226 CB ASP A 21 -13.121 -5.816 2.066 1.00 0.00 C ATOM 227 CG ASP A 21 -12.886 -7.254 2.486 1.00 0.00 C ATOM 228 OD1 ASP A 21 -13.875 -7.952 2.794 1.00 0.00 O ATOM 229 OD2 ASP A 21 -11.713 -7.681 2.509 1.00 0.00 O ATOM 0 H ASP A 21 -13.989 -3.632 0.560 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.880 -6.575 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.164 -5.347 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.555 -5.263 2.899 1.00 0.00 H new ATOM 234 N ILE A 22 -16.398 -5.934 0.353 1.00 0.00 N ATOM 235 CA ILE A 22 -17.829 -5.889 0.622 1.00 0.00 C ATOM 236 C ILE A 22 -18.286 -7.044 1.504 1.00 0.00 C ATOM 237 O ILE A 22 -18.575 -8.137 1.016 1.00 0.00 O ATOM 238 CB ILE A 22 -18.643 -5.903 -0.686 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.203 -4.751 -1.591 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.133 -5.810 -0.388 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.798 -4.811 -2.979 1.00 0.00 C ATOM 0 H ILE A 22 -16.159 -6.172 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.009 -4.955 1.154 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.457 -6.844 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.483 -3.806 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.116 -4.757 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.693 -5.821 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.435 -6.659 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -20.340 -4.883 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.442 -3.963 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.496 -5.739 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.885 -4.774 -2.911 1.00 0.00 H new ATOM 253 N GLY A 23 -18.381 -6.783 2.803 1.00 0.00 N ATOM 254 CA GLY A 23 -18.876 -7.785 3.726 1.00 0.00 C ATOM 255 C GLY A 23 -20.358 -7.603 4.000 1.00 0.00 C ATOM 256 O GLY A 23 -20.873 -8.063 5.019 1.00 0.00 O ATOM 0 H GLY A 23 -18.124 -5.894 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.700 -8.779 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.321 -7.725 4.662 1.00 0.00 H new ATOM 260 N GLY A 24 -21.038 -6.917 3.084 1.00 0.00 N ATOM 261 CA GLY A 24 -22.456 -6.652 3.236 1.00 0.00 C ATOM 262 C GLY A 24 -22.871 -5.412 2.470 1.00 0.00 C ATOM 263 O GLY A 24 -22.125 -4.436 2.424 1.00 0.00 O ATOM 0 H GLY A 24 -20.625 -6.537 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.028 -7.509 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.693 -6.526 4.292 1.00 0.00 H new ATOM 267 N VAL A 25 -24.042 -5.453 1.844 1.00 0.00 N ATOM 268 CA VAL A 25 -24.511 -4.325 1.045 1.00 0.00 C ATOM 269 C VAL A 25 -25.898 -3.843 1.471 1.00 0.00 C ATOM 270 O VAL A 25 -26.361 -2.798 1.014 1.00 0.00 O ATOM 271 CB VAL A 25 -24.550 -4.683 -0.453 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.144 -4.917 -0.983 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.428 -5.902 -0.687 1.00 0.00 C ATOM 0 H VAL A 25 -24.680 -6.248 1.873 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.797 -3.519 1.216 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.982 -3.844 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.192 -5.169 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.550 -4.012 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.681 -5.738 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.444 -6.140 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.029 -6.750 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.442 -5.691 -0.347 1.00 0.00 H new ATOM 283 N ASP A 26 -26.561 -4.596 2.344 1.00 0.00 N ATOM 284 CA ASP A 26 -27.894 -4.221 2.803 1.00 0.00 C ATOM 285 C ASP A 26 -27.836 -2.989 3.694 1.00 0.00 C ATOM 286 O ASP A 26 -26.769 -2.597 4.166 1.00 0.00 O ATOM 287 CB ASP A 26 -28.550 -5.377 3.557 1.00 0.00 C ATOM 288 CG ASP A 26 -30.014 -5.124 3.856 1.00 0.00 C ATOM 289 OD1 ASP A 26 -30.740 -4.682 2.940 1.00 0.00 O ATOM 290 OD2 ASP A 26 -30.436 -5.368 5.006 1.00 0.00 O ATOM 0 H ASP A 26 -26.201 -5.462 2.745 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.495 -3.987 1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -28.456 -6.289 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -28.016 -5.545 4.492 1.00 0.00 H new ATOM 295 N PHE A 27 -28.993 -2.378 3.914 1.00 0.00 N ATOM 296 CA PHE A 27 -29.080 -1.184 4.746 1.00 0.00 C ATOM 297 C PHE A 27 -28.413 -1.417 6.092 1.00 0.00 C ATOM 298 O PHE A 27 -28.821 -2.286 6.862 1.00 0.00 O ATOM 299 CB PHE A 27 -30.538 -0.771 4.951 1.00 0.00 C ATOM 300 CG PHE A 27 -30.709 0.378 5.907 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.659 0.320 6.915 1.00 0.00 C ATOM 302 CD2 PHE A 27 -29.917 1.514 5.801 1.00 0.00 C ATOM 303 CE1 PHE A 27 -31.819 1.372 7.796 1.00 0.00 C ATOM 304 CE2 PHE A 27 -30.075 2.570 6.682 1.00 0.00 C ATOM 305 CZ PHE A 27 -31.025 2.495 7.682 1.00 0.00 C ATOM 0 H PHE A 27 -29.884 -2.689 3.528 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.558 -0.378 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.969 -0.498 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.101 -1.628 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -32.281 -0.557 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -29.170 1.574 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -32.566 1.316 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -29.457 3.451 6.588 1.00 0.00 H new ATOM 0 HZ PHE A 27 -31.146 3.315 8.374 1.00 0.00 H new ATOM 315 N GLY A 28 -27.380 -0.634 6.365 1.00 0.00 N ATOM 316 CA GLY A 28 -26.658 -0.766 7.611 1.00 0.00 C ATOM 317 C GLY A 28 -25.365 -1.548 7.458 1.00 0.00 C ATOM 318 O GLY A 28 -24.545 -1.583 8.375 1.00 0.00 O ATOM 0 H GLY A 28 -27.029 0.093 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -26.434 0.226 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.294 -1.263 8.344 1.00 0.00 H new ATOM 322 N SER A 29 -25.182 -2.183 6.300 1.00 0.00 N ATOM 323 CA SER A 29 -23.979 -2.967 6.044 1.00 0.00 C ATOM 324 C SER A 29 -22.728 -2.104 6.171 1.00 0.00 C ATOM 325 O SER A 29 -22.812 -0.910 6.456 1.00 0.00 O ATOM 326 CB SER A 29 -24.043 -3.592 4.649 1.00 0.00 C ATOM 327 OG SER A 29 -24.776 -4.805 4.665 1.00 0.00 O ATOM 0 H SER A 29 -25.850 -2.169 5.529 1.00 0.00 H new ATOM 0 HA SER A 29 -23.926 -3.760 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 -24.508 -2.892 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.033 -3.779 4.284 1.00 0.00 H new ATOM 0 HG SER A 29 -24.343 -5.441 5.271 1.00 0.00 H new ATOM 333 N SER A 30 -21.567 -2.718 5.959 1.00 0.00 N ATOM 334 CA SER A 30 -20.298 -2.004 6.051 1.00 0.00 C ATOM 335 C SER A 30 -19.232 -2.665 5.182 1.00 0.00 C ATOM 336 O SER A 30 -19.064 -3.884 5.209 1.00 0.00 O ATOM 337 CB SER A 30 -19.824 -1.954 7.505 1.00 0.00 C ATOM 338 OG SER A 30 -20.243 -3.104 8.220 1.00 0.00 O ATOM 0 H SER A 30 -21.479 -3.706 5.723 1.00 0.00 H new ATOM 0 HA SER A 30 -20.456 -0.988 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.737 -1.881 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.217 -1.059 7.988 1.00 0.00 H new ATOM 0 HG SER A 30 -19.926 -3.048 9.145 1.00 0.00 H new ATOM 344 N ILE A 31 -18.510 -1.852 4.414 1.00 0.00 N ATOM 345 CA ILE A 31 -17.452 -2.362 3.543 1.00 0.00 C ATOM 346 C ILE A 31 -16.083 -2.143 4.173 1.00 0.00 C ATOM 347 O ILE A 31 -15.964 -1.488 5.205 1.00 0.00 O ATOM 348 CB ILE A 31 -17.449 -1.696 2.147 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.798 -1.065 1.816 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.091 -2.711 1.083 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.831 -0.405 0.459 1.00 0.00 C ATOM 0 H ILE A 31 -18.637 -0.841 4.377 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.656 -3.426 3.420 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.701 -0.904 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.571 -1.833 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.042 -0.325 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.093 -2.229 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.100 -3.117 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.822 -3.519 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.818 0.023 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.081 0.385 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.618 -1.146 -0.311 1.00 0.00 H new ATOM 363 N THR A 32 -15.049 -2.672 3.528 1.00 0.00 N ATOM 364 CA THR A 32 -13.684 -2.511 4.013 1.00 0.00 C ATOM 365 C THR A 32 -12.722 -2.290 2.852 1.00 0.00 C ATOM 366 O THR A 32 -12.416 -3.215 2.099 1.00 0.00 O ATOM 367 CB THR A 32 -13.256 -3.737 4.822 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.372 -4.560 5.112 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.590 -3.385 6.134 1.00 0.00 C ATOM 0 H THR A 32 -15.130 -3.216 2.669 1.00 0.00 H new ATOM 0 HA THR A 32 -13.655 -1.634 4.660 1.00 0.00 H new ATOM 0 HB THR A 32 -12.533 -4.259 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.078 -5.340 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.312 -4.300 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.697 -2.791 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.281 -2.810 6.750 1.00 0.00 H new ATOM 377 N TYR A 33 -12.257 -1.055 2.707 1.00 0.00 N ATOM 378 CA TYR A 33 -11.342 -0.704 1.626 1.00 0.00 C ATOM 379 C TYR A 33 -9.919 -1.152 1.935 1.00 0.00 C ATOM 380 O TYR A 33 -9.442 -1.013 3.062 1.00 0.00 O ATOM 381 CB TYR A 33 -11.374 0.803 1.375 1.00 0.00 C ATOM 382 CG TYR A 33 -12.532 1.233 0.512 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.800 1.386 1.052 1.00 0.00 C ATOM 384 CD2 TYR A 33 -12.359 1.462 -0.845 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.867 1.771 0.262 1.00 0.00 C ATOM 386 CE2 TYR A 33 -13.419 1.845 -1.643 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.671 2.001 -1.085 1.00 0.00 C ATOM 388 OH TYR A 33 -15.730 2.385 -1.875 1.00 0.00 O ATOM 0 H TYR A 33 -12.498 -0.279 3.324 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.672 -1.225 0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.428 1.324 2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.441 1.106 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.956 1.202 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.380 1.339 -1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.849 1.891 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.269 2.021 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.522 2.199 -2.814 1.00 0.00 H new ATOM 398 N SER A 34 -9.247 -1.693 0.924 1.00 0.00 N ATOM 399 CA SER A 34 -7.876 -2.161 1.079 1.00 0.00 C ATOM 400 C SER A 34 -7.042 -1.799 -0.144 1.00 0.00 C ATOM 401 O SER A 34 -7.579 -1.407 -1.179 1.00 0.00 O ATOM 402 CB SER A 34 -7.855 -3.675 1.299 1.00 0.00 C ATOM 403 OG SER A 34 -8.146 -4.000 2.647 1.00 0.00 O ATOM 0 H SER A 34 -9.631 -1.818 -0.013 1.00 0.00 H new ATOM 0 HA SER A 34 -7.443 -1.670 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.583 -4.151 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.876 -4.071 1.030 1.00 0.00 H new ATOM 0 HG SER A 34 -8.563 -3.230 3.086 1.00 0.00 H new ATOM 409 N CYS A 35 -5.726 -1.929 -0.019 1.00 0.00 N ATOM 410 CA CYS A 35 -4.823 -1.609 -1.114 1.00 0.00 C ATOM 411 C CYS A 35 -4.538 -2.843 -1.964 1.00 0.00 C ATOM 412 O CYS A 35 -4.812 -3.970 -1.551 1.00 0.00 O ATOM 413 CB CYS A 35 -3.518 -1.032 -0.568 1.00 0.00 C ATOM 414 SG CYS A 35 -3.489 0.789 -0.502 1.00 0.00 S ATOM 0 H CYS A 35 -5.263 -2.254 0.830 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.304 -0.863 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.349 -1.425 0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.691 -1.377 -1.189 1.00 0.00 H new ATOM 419 N ASN A 36 -3.994 -2.623 -3.157 1.00 0.00 N ATOM 420 CA ASN A 36 -3.683 -3.719 -4.069 1.00 0.00 C ATOM 421 C ASN A 36 -2.652 -4.665 -3.459 1.00 0.00 C ATOM 422 O ASN A 36 -3.005 -5.687 -2.872 1.00 0.00 O ATOM 423 CB ASN A 36 -3.167 -3.170 -5.401 1.00 0.00 C ATOM 424 CG ASN A 36 -4.199 -3.270 -6.508 1.00 0.00 C ATOM 425 OD1 ASN A 36 -4.564 -4.365 -6.935 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.674 -2.123 -6.980 1.00 0.00 N ATOM 0 H ASN A 36 -3.760 -1.697 -3.515 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.600 -4.281 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.876 -2.127 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.271 -3.717 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.370 -2.128 -7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.343 -1.238 -6.596 1.00 0.00 H new ATOM 433 N SER A 37 -1.376 -4.320 -3.608 1.00 0.00 N ATOM 434 CA SER A 37 -0.295 -5.137 -3.069 1.00 0.00 C ATOM 435 C SER A 37 0.958 -4.297 -2.856 1.00 0.00 C ATOM 436 O SER A 37 1.360 -3.530 -3.731 1.00 0.00 O ATOM 437 CB SER A 37 0.011 -6.304 -4.011 1.00 0.00 C ATOM 438 OG SER A 37 -0.623 -7.493 -3.572 1.00 0.00 O ATOM 0 H SER A 37 -1.066 -3.480 -4.097 1.00 0.00 H new ATOM 0 HA SER A 37 -0.615 -5.535 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.325 -6.060 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.088 -6.461 -4.063 1.00 0.00 H new ATOM 0 HG SER A 37 -1.519 -7.281 -3.236 1.00 0.00 H new ATOM 444 N GLY A 38 1.570 -4.440 -1.685 1.00 0.00 N ATOM 445 CA GLY A 38 2.753 -3.663 -1.372 1.00 0.00 C ATOM 446 C GLY A 38 2.446 -2.183 -1.290 1.00 0.00 C ATOM 447 O GLY A 38 3.314 -1.343 -1.518 1.00 0.00 O ATOM 0 H GLY A 38 1.268 -5.079 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.170 -4.001 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.513 -3.835 -2.134 1.00 0.00 H new ATOM 451 N TYR A 39 1.195 -1.869 -0.975 1.00 0.00 N ATOM 452 CA TYR A 39 0.745 -0.486 -0.879 1.00 0.00 C ATOM 453 C TYR A 39 0.266 -0.166 0.532 1.00 0.00 C ATOM 454 O TYR A 39 0.266 -1.028 1.410 1.00 0.00 O ATOM 455 CB TYR A 39 -0.410 -0.252 -1.855 1.00 0.00 C ATOM 456 CG TYR A 39 0.008 0.236 -3.223 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.115 -0.297 -3.870 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.729 1.213 -3.879 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.486 0.145 -5.127 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.364 1.663 -5.131 1.00 0.00 C ATOM 461 CZ TYR A 39 0.743 1.126 -5.752 1.00 0.00 C ATOM 462 OH TYR A 39 1.110 1.570 -7.002 1.00 0.00 O ATOM 0 H TYR A 39 0.470 -2.559 -0.780 1.00 0.00 H new ATOM 0 HA TYR A 39 1.586 0.162 -1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.965 -1.183 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.095 0.475 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.695 -1.068 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.604 1.628 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.352 -0.275 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.942 2.432 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 39 0.482 2.261 -7.301 1.00 0.00 H new ATOM 472 N HIS A 40 -0.170 1.074 0.733 1.00 0.00 N ATOM 473 CA HIS A 40 -0.759 1.476 2.002 1.00 0.00 C ATOM 474 C HIS A 40 -2.006 2.312 1.751 1.00 0.00 C ATOM 475 O HIS A 40 -2.062 3.096 0.804 1.00 0.00 O ATOM 476 CB HIS A 40 0.222 2.238 2.904 1.00 0.00 C ATOM 477 CG HIS A 40 1.291 3.020 2.199 1.00 0.00 C ATOM 478 ND1 HIS A 40 2.452 3.417 2.830 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.364 3.519 0.941 1.00 0.00 C ATOM 480 CE1 HIS A 40 3.197 4.108 1.989 1.00 0.00 C ATOM 481 NE2 HIS A 40 2.563 4.180 0.836 1.00 0.00 N ATOM 0 H HIS A 40 -0.126 1.815 0.034 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.025 0.563 2.535 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.349 2.924 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.703 1.522 3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.619 3.416 0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.162 4.541 2.208 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.908 4.651 -0.000 1.00 0.00 H new ATOM 490 N LEU A 41 -3.026 2.087 2.566 1.00 0.00 N ATOM 491 CA LEU A 41 -4.287 2.795 2.425 1.00 0.00 C ATOM 492 C LEU A 41 -4.313 4.018 3.325 1.00 0.00 C ATOM 493 O LEU A 41 -3.851 3.971 4.465 1.00 0.00 O ATOM 494 CB LEU A 41 -5.454 1.865 2.761 1.00 0.00 C ATOM 495 CG LEU A 41 -6.841 2.484 2.599 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.846 1.437 2.140 1.00 0.00 C ATOM 497 CD2 LEU A 41 -7.290 3.119 3.902 1.00 0.00 C ATOM 0 H LEU A 41 -3.003 1.417 3.334 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.387 3.125 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.390 0.982 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.343 1.525 3.790 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.786 3.260 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.828 1.898 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.530 1.025 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.901 0.637 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.280 3.556 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.329 2.359 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.584 3.898 4.189 1.00 0.00 H new ATOM 509 N ILE A 42 -4.837 5.119 2.805 1.00 0.00 N ATOM 510 CA ILE A 42 -4.885 6.358 3.566 1.00 0.00 C ATOM 511 C ILE A 42 -6.315 6.718 3.946 1.00 0.00 C ATOM 512 O ILE A 42 -7.265 6.374 3.243 1.00 0.00 O ATOM 513 CB ILE A 42 -4.250 7.536 2.800 1.00 0.00 C ATOM 514 CG1 ILE A 42 -3.141 7.045 1.865 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.693 8.547 3.785 1.00 0.00 C ATOM 516 CD1 ILE A 42 -2.100 6.201 2.567 1.00 0.00 C ATOM 0 H ILE A 42 -5.232 5.179 1.866 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.304 6.183 4.472 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.021 8.011 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.586 6.464 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.653 7.906 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.245 9.378 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.498 8.920 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.935 8.070 4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.343 5.885 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.629 6.786 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.577 5.322 3.002 1.00 0.00 H new ATOM 528 N GLY A 43 -6.455 7.404 5.073 1.00 0.00 N ATOM 529 CA GLY A 43 -7.770 7.790 5.549 1.00 0.00 C ATOM 530 C GLY A 43 -8.575 6.602 6.039 1.00 0.00 C ATOM 531 O GLY A 43 -8.015 5.643 6.569 1.00 0.00 O ATOM 0 H GLY A 43 -5.681 7.701 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.664 8.513 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.313 8.288 4.746 1.00 0.00 H new ATOM 535 N GLU A 44 -9.891 6.660 5.860 1.00 0.00 N ATOM 536 CA GLU A 44 -10.765 5.572 6.279 1.00 0.00 C ATOM 537 C GLU A 44 -10.429 4.291 5.525 1.00 0.00 C ATOM 538 O GLU A 44 -9.566 4.288 4.652 1.00 0.00 O ATOM 539 CB GLU A 44 -12.228 5.946 6.035 1.00 0.00 C ATOM 540 CG GLU A 44 -12.461 6.643 4.705 1.00 0.00 C ATOM 541 CD GLU A 44 -12.977 8.059 4.870 1.00 0.00 C ATOM 542 OE1 GLU A 44 -12.811 8.864 3.929 1.00 0.00 O ATOM 543 OE2 GLU A 44 -13.548 8.363 5.938 1.00 0.00 O ATOM 0 H GLU A 44 -10.374 7.448 5.428 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.611 5.402 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.837 5.043 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.568 6.596 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.528 6.664 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.175 6.066 4.117 1.00 0.00 H new ATOM 550 N SER A 45 -11.132 3.213 5.857 1.00 0.00 N ATOM 551 CA SER A 45 -10.914 1.924 5.225 1.00 0.00 C ATOM 552 C SER A 45 -12.183 1.089 5.242 1.00 0.00 C ATOM 553 O SER A 45 -12.131 -0.141 5.227 1.00 0.00 O ATOM 554 CB SER A 45 -9.817 1.175 5.962 1.00 0.00 C ATOM 555 OG SER A 45 -9.962 1.308 7.365 1.00 0.00 O ATOM 0 H SER A 45 -11.864 3.211 6.568 1.00 0.00 H new ATOM 0 HA SER A 45 -10.621 2.096 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.846 0.120 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.843 1.557 5.656 1.00 0.00 H new ATOM 0 HG SER A 45 -9.245 0.816 7.816 1.00 0.00 H new ATOM 561 N LYS A 46 -13.319 1.763 5.276 1.00 0.00 N ATOM 562 CA LYS A 46 -14.604 1.085 5.327 1.00 0.00 C ATOM 563 C LYS A 46 -15.673 1.879 4.582 1.00 0.00 C ATOM 564 O LYS A 46 -15.372 2.860 3.902 1.00 0.00 O ATOM 565 CB LYS A 46 -15.017 0.891 6.785 1.00 0.00 C ATOM 566 CG LYS A 46 -14.707 -0.492 7.334 1.00 0.00 C ATOM 567 CD LYS A 46 -14.192 -0.422 8.762 1.00 0.00 C ATOM 568 CE LYS A 46 -14.712 -1.580 9.599 1.00 0.00 C ATOM 569 NZ LYS A 46 -15.225 -1.125 10.921 1.00 0.00 N ATOM 0 H LYS A 46 -13.379 2.781 5.269 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.506 0.115 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.511 1.636 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.087 1.076 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.606 -1.108 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.964 -0.977 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.102 -0.435 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.498 0.521 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.508 -2.091 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.913 -2.306 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.570 -1.945 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.459 -0.660 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.005 -0.452 10.778 1.00 0.00 H new ATOM 583 N SER A 47 -16.921 1.447 4.719 1.00 0.00 N ATOM 584 CA SER A 47 -18.044 2.118 4.077 1.00 0.00 C ATOM 585 C SER A 47 -19.360 1.611 4.656 1.00 0.00 C ATOM 586 O SER A 47 -19.844 0.544 4.293 1.00 0.00 O ATOM 587 CB SER A 47 -18.010 1.895 2.563 1.00 0.00 C ATOM 588 OG SER A 47 -17.329 2.949 1.907 1.00 0.00 O ATOM 0 H SER A 47 -17.181 0.630 5.272 1.00 0.00 H new ATOM 0 HA SER A 47 -17.964 3.188 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.518 0.948 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.028 1.822 2.180 1.00 0.00 H new ATOM 0 HG SER A 47 -17.870 3.765 1.950 1.00 0.00 H new ATOM 594 N TYR A 48 -19.923 2.368 5.582 1.00 0.00 N ATOM 595 CA TYR A 48 -21.154 1.962 6.240 1.00 0.00 C ATOM 596 C TYR A 48 -22.375 2.261 5.386 1.00 0.00 C ATOM 597 O TYR A 48 -22.693 3.419 5.113 1.00 0.00 O ATOM 598 CB TYR A 48 -21.281 2.650 7.599 1.00 0.00 C ATOM 599 CG TYR A 48 -19.970 2.758 8.343 1.00 0.00 C ATOM 600 CD1 TYR A 48 -19.002 1.768 8.227 1.00 0.00 C ATOM 601 CD2 TYR A 48 -19.698 3.850 9.158 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.802 1.862 8.904 1.00 0.00 C ATOM 603 CE2 TYR A 48 -18.500 3.950 9.839 1.00 0.00 C ATOM 604 CZ TYR A 48 -17.555 2.954 9.708 1.00 0.00 C ATOM 605 OH TYR A 48 -16.360 3.050 10.384 1.00 0.00 O ATOM 0 H TYR A 48 -19.549 3.264 5.895 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.108 0.883 6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.692 3.649 7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.994 2.098 8.212 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.191 0.911 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -20.435 4.633 9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.060 1.083 8.804 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.305 4.804 10.471 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.345 3.880 10.905 1.00 0.00 H new ATOM 615 N CYS A 49 -23.065 1.202 4.982 1.00 0.00 N ATOM 616 CA CYS A 49 -24.278 1.334 4.195 1.00 0.00 C ATOM 617 C CYS A 49 -25.363 2.003 5.020 1.00 0.00 C ATOM 618 O CYS A 49 -25.958 1.383 5.898 1.00 0.00 O ATOM 619 CB CYS A 49 -24.759 -0.039 3.725 1.00 0.00 C ATOM 620 SG CYS A 49 -26.373 -0.010 2.885 1.00 0.00 S ATOM 0 H CYS A 49 -22.801 0.239 5.189 1.00 0.00 H new ATOM 0 HA CYS A 49 -24.061 1.949 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.016 -0.461 3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.821 -0.705 4.586 1.00 0.00 H new ATOM 625 N GLU A 50 -25.595 3.279 4.760 1.00 0.00 N ATOM 626 CA GLU A 50 -26.599 4.026 5.503 1.00 0.00 C ATOM 627 C GLU A 50 -27.470 4.842 4.559 1.00 0.00 C ATOM 628 O GLU A 50 -27.212 4.922 3.362 1.00 0.00 O ATOM 629 CB GLU A 50 -25.913 4.910 6.566 1.00 0.00 C ATOM 630 CG GLU A 50 -26.575 6.253 6.867 1.00 0.00 C ATOM 631 CD GLU A 50 -25.673 7.184 7.655 1.00 0.00 C ATOM 632 OE1 GLU A 50 -24.547 6.768 7.998 1.00 0.00 O ATOM 633 OE2 GLU A 50 -26.095 8.327 7.929 1.00 0.00 O ATOM 0 H GLU A 50 -25.106 3.817 4.045 1.00 0.00 H new ATOM 0 HA GLU A 50 -27.257 3.328 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -25.855 4.343 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.889 5.099 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -26.857 6.733 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -27.494 6.083 7.427 1.00 0.00 H new ATOM 640 N LEU A 51 -28.516 5.417 5.120 1.00 0.00 N ATOM 641 CA LEU A 51 -29.448 6.236 4.357 1.00 0.00 C ATOM 642 C LEU A 51 -29.080 7.712 4.460 1.00 0.00 C ATOM 643 O LEU A 51 -28.657 8.184 5.515 1.00 0.00 O ATOM 644 CB LEU A 51 -30.874 6.013 4.860 1.00 0.00 C ATOM 645 CG LEU A 51 -31.162 6.588 6.246 1.00 0.00 C ATOM 646 CD1 LEU A 51 -31.094 5.502 7.305 1.00 0.00 C ATOM 647 CD2 LEU A 51 -32.522 7.262 6.269 1.00 0.00 C ATOM 0 H LEU A 51 -28.746 5.333 6.110 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.389 5.940 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -31.569 6.456 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -31.075 4.942 4.878 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.399 7.334 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -31.302 5.935 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.833 4.732 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -30.098 5.059 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -32.711 7.666 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -32.539 8.071 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -33.294 6.533 6.021 1.00 0.00 H new ATOM 659 N GLY A 52 -29.230 8.439 3.356 1.00 0.00 N ATOM 660 CA GLY A 52 -28.899 9.853 3.358 1.00 0.00 C ATOM 661 C GLY A 52 -28.993 10.485 1.987 1.00 0.00 C ATOM 662 O GLY A 52 -28.115 11.247 1.582 1.00 0.00 O ATOM 0 H GLY A 52 -29.572 8.077 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -29.569 10.376 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -27.888 9.983 3.743 1.00 0.00 H new ATOM 666 N SER A 53 -30.067 10.177 1.278 1.00 0.00 N ATOM 667 CA SER A 53 -30.288 10.721 -0.056 1.00 0.00 C ATOM 668 C SER A 53 -31.756 11.079 -0.259 1.00 0.00 C ATOM 669 O SER A 53 -32.416 10.557 -1.158 1.00 0.00 O ATOM 670 CB SER A 53 -29.844 9.714 -1.115 1.00 0.00 C ATOM 671 OG SER A 53 -29.100 10.346 -2.141 1.00 0.00 O ATOM 0 H SER A 53 -30.803 9.551 1.604 1.00 0.00 H new ATOM 0 HA SER A 53 -29.695 11.630 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 53 -29.239 8.936 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 53 -30.718 9.224 -1.544 1.00 0.00 H new ATOM 0 HG SER A 53 -28.826 9.679 -2.805 1.00 0.00 H new ATOM 677 N THR A 54 -32.262 11.971 0.585 1.00 0.00 N ATOM 678 CA THR A 54 -33.656 12.394 0.507 1.00 0.00 C ATOM 679 C THR A 54 -34.591 11.220 0.770 1.00 0.00 C ATOM 680 O THR A 54 -35.722 11.191 0.284 1.00 0.00 O ATOM 681 CB THR A 54 -33.954 13.001 -0.866 1.00 0.00 C ATOM 682 OG1 THR A 54 -34.267 11.987 -1.805 1.00 0.00 O ATOM 683 CG2 THR A 54 -32.805 13.809 -1.427 1.00 0.00 C ATOM 0 H THR A 54 -31.728 12.416 1.332 1.00 0.00 H new ATOM 0 HA THR A 54 -33.824 13.151 1.273 1.00 0.00 H new ATOM 0 HB THR A 54 -34.801 13.669 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 54 -33.476 11.430 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 54 -33.084 14.210 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 54 -32.573 14.631 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 54 -31.929 13.169 -1.535 1.00 0.00 H new ATOM 691 N GLY A 55 -34.110 10.251 1.542 1.00 0.00 N ATOM 692 CA GLY A 55 -34.908 9.079 1.848 1.00 0.00 C ATOM 693 C GLY A 55 -34.453 7.860 1.072 1.00 0.00 C ATOM 694 O GLY A 55 -35.247 6.965 0.783 1.00 0.00 O ATOM 0 H GLY A 55 -33.180 10.257 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -34.850 8.870 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -35.954 9.284 1.620 1.00 0.00 H new ATOM 698 N SER A 56 -33.170 7.833 0.728 1.00 0.00 N ATOM 699 CA SER A 56 -32.604 6.727 -0.033 1.00 0.00 C ATOM 700 C SER A 56 -31.483 6.044 0.745 1.00 0.00 C ATOM 701 O SER A 56 -31.389 6.176 1.965 1.00 0.00 O ATOM 702 CB SER A 56 -32.070 7.235 -1.372 1.00 0.00 C ATOM 703 OG SER A 56 -32.380 6.334 -2.422 1.00 0.00 O ATOM 0 H SER A 56 -32.502 8.566 0.965 1.00 0.00 H new ATOM 0 HA SER A 56 -33.393 5.996 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 56 -32.499 8.213 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 56 -30.990 7.367 -1.309 1.00 0.00 H new ATOM 0 HG SER A 56 -32.029 6.684 -3.267 1.00 0.00 H new ATOM 709 N MET A 57 -30.638 5.311 0.028 1.00 0.00 N ATOM 710 CA MET A 57 -29.515 4.618 0.639 1.00 0.00 C ATOM 711 C MET A 57 -28.201 5.109 0.044 1.00 0.00 C ATOM 712 O MET A 57 -28.137 5.488 -1.126 1.00 0.00 O ATOM 713 CB MET A 57 -29.651 3.105 0.450 1.00 0.00 C ATOM 714 CG MET A 57 -31.089 2.617 0.507 1.00 0.00 C ATOM 715 SD MET A 57 -31.261 1.060 1.401 1.00 0.00 S ATOM 716 CE MET A 57 -32.433 1.524 2.673 1.00 0.00 C ATOM 0 H MET A 57 -30.712 5.183 -0.981 1.00 0.00 H new ATOM 0 HA MET A 57 -29.516 4.835 1.707 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.218 2.826 -0.511 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.072 2.596 1.221 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.707 3.376 0.986 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.466 2.492 -0.508 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.842 0.626 3.136 1.00 0.00 H new ATOM 0 HE2 MET A 57 -31.929 2.125 3.430 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.242 2.104 2.228 1.00 0.00 H new ATOM 726 N VAL A 58 -27.165 5.119 0.867 1.00 0.00 N ATOM 727 CA VAL A 58 -25.852 5.598 0.456 1.00 0.00 C ATOM 728 C VAL A 58 -24.751 4.848 1.197 1.00 0.00 C ATOM 729 O VAL A 58 -25.025 3.914 1.950 1.00 0.00 O ATOM 730 CB VAL A 58 -25.702 7.110 0.721 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.263 7.917 -0.440 1.00 0.00 C ATOM 732 CG2 VAL A 58 -26.389 7.489 2.023 1.00 0.00 C ATOM 0 H VAL A 58 -27.208 4.797 1.834 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.759 5.416 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.641 7.342 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.147 8.981 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.724 7.664 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.320 7.685 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -26.275 8.559 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.449 7.243 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -25.937 6.937 2.847 1.00 0.00 H new ATOM 742 N TRP A 59 -23.508 5.268 0.994 1.00 0.00 N ATOM 743 CA TRP A 59 -22.375 4.625 1.642 1.00 0.00 C ATOM 744 C TRP A 59 -21.497 5.646 2.358 1.00 0.00 C ATOM 745 O TRP A 59 -21.002 6.592 1.745 1.00 0.00 O ATOM 746 CB TRP A 59 -21.550 3.863 0.608 1.00 0.00 C ATOM 747 CG TRP A 59 -22.197 2.591 0.156 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.981 2.413 -0.949 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.111 1.316 0.798 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.382 1.101 -1.036 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.865 0.410 0.029 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.468 0.852 1.950 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.992 -0.932 0.377 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.602 -0.478 2.294 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.351 -1.354 1.509 1.00 0.00 C ATOM 0 H TRP A 59 -23.261 6.049 0.387 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.759 3.928 2.386 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.382 4.505 -0.257 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.571 3.635 1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.247 3.189 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.968 0.707 -1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.878 1.521 2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.575 -1.614 -0.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.118 -0.847 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.427 -2.391 1.802 1.00 0.00 H new ATOM 766 N ASN A 60 -21.300 5.444 3.657 1.00 0.00 N ATOM 767 CA ASN A 60 -20.484 6.352 4.454 1.00 0.00 C ATOM 768 C ASN A 60 -19.617 5.578 5.451 1.00 0.00 C ATOM 769 O ASN A 60 -20.143 4.835 6.280 1.00 0.00 O ATOM 770 CB ASN A 60 -21.381 7.334 5.206 1.00 0.00 C ATOM 771 CG ASN A 60 -21.813 8.502 4.343 1.00 0.00 C ATOM 772 OD1 ASN A 60 -21.361 9.631 4.534 1.00 0.00 O ATOM 773 ND2 ASN A 60 -22.691 8.235 3.384 1.00 0.00 N ATOM 0 H ASN A 60 -21.694 4.661 4.179 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.827 6.901 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.264 6.809 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.850 7.709 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.017 8.981 2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.039 7.284 3.262 1.00 0.00 H new ATOM 780 N PRO A 61 -18.275 5.732 5.400 1.00 0.00 N ATOM 781 CA PRO A 61 -17.587 6.604 4.438 1.00 0.00 C ATOM 782 C PRO A 61 -17.545 6.003 3.036 1.00 0.00 C ATOM 783 O PRO A 61 -18.246 5.034 2.743 1.00 0.00 O ATOM 784 CB PRO A 61 -16.176 6.717 5.014 1.00 0.00 C ATOM 785 CG PRO A 61 -15.973 5.444 5.758 1.00 0.00 C ATOM 786 CD PRO A 61 -17.323 5.054 6.301 1.00 0.00 C ATOM 0 HA PRO A 61 -18.093 7.562 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.434 6.838 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -16.084 7.581 5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.579 4.668 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.252 5.576 6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.462 3.973 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.448 5.380 7.334 1.00 0.00 H new ATOM 794 N GLU A 62 -16.718 6.586 2.172 1.00 0.00 N ATOM 795 CA GLU A 62 -16.589 6.128 0.802 1.00 0.00 C ATOM 796 C GLU A 62 -15.224 5.473 0.571 1.00 0.00 C ATOM 797 O GLU A 62 -14.622 4.931 1.498 1.00 0.00 O ATOM 798 CB GLU A 62 -16.789 7.308 -0.144 1.00 0.00 C ATOM 799 CG GLU A 62 -17.983 8.178 0.205 1.00 0.00 C ATOM 800 CD GLU A 62 -17.607 9.366 1.069 1.00 0.00 C ATOM 801 OE1 GLU A 62 -16.416 9.741 1.078 1.00 0.00 O ATOM 802 OE2 GLU A 62 -18.505 9.921 1.738 1.00 0.00 O ATOM 0 H GLU A 62 -16.125 7.383 2.405 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.352 5.375 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.889 7.923 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.911 6.931 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.449 8.535 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.727 7.575 0.726 1.00 0.00 H new ATOM 809 N ALA A 63 -14.747 5.519 -0.671 1.00 0.00 N ATOM 810 CA ALA A 63 -13.461 4.935 -1.030 1.00 0.00 C ATOM 811 C ALA A 63 -12.310 5.854 -0.623 1.00 0.00 C ATOM 812 O ALA A 63 -12.149 6.939 -1.182 1.00 0.00 O ATOM 813 CB ALA A 63 -13.412 4.663 -2.524 1.00 0.00 C ATOM 0 H ALA A 63 -15.238 5.959 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.350 3.994 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.447 4.227 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.208 3.969 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.545 5.598 -3.069 1.00 0.00 H new ATOM 819 N PRO A 64 -11.487 5.433 0.352 1.00 0.00 N ATOM 820 CA PRO A 64 -10.355 6.232 0.835 1.00 0.00 C ATOM 821 C PRO A 64 -9.242 6.347 -0.203 1.00 0.00 C ATOM 822 O PRO A 64 -9.499 6.315 -1.406 1.00 0.00 O ATOM 823 CB PRO A 64 -9.865 5.462 2.070 1.00 0.00 C ATOM 824 CG PRO A 64 -10.950 4.490 2.386 1.00 0.00 C ATOM 825 CD PRO A 64 -11.600 4.165 1.082 1.00 0.00 C ATOM 0 HA PRO A 64 -10.648 7.259 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.925 4.949 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.685 6.136 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.546 3.593 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.668 4.920 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.091 3.351 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.639 3.861 1.210 1.00 0.00 H new ATOM 833 N ILE A 65 -8.004 6.486 0.268 1.00 0.00 N ATOM 834 CA ILE A 65 -6.859 6.622 -0.628 1.00 0.00 C ATOM 835 C ILE A 65 -6.022 5.347 -0.653 1.00 0.00 C ATOM 836 O ILE A 65 -6.323 4.379 0.043 1.00 0.00 O ATOM 837 CB ILE A 65 -5.942 7.803 -0.244 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.684 8.843 0.599 1.00 0.00 C ATOM 839 CG2 ILE A 65 -5.377 8.452 -1.498 1.00 0.00 C ATOM 840 CD1 ILE A 65 -5.861 10.082 0.870 1.00 0.00 C ATOM 0 H ILE A 65 -7.770 6.507 1.260 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.278 6.813 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.125 7.409 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.603 9.129 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.975 8.392 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.731 9.284 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.799 7.717 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.195 8.820 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.442 10.781 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.955 9.806 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.592 10.554 -0.075 1.00 0.00 H new ATOM 852 N CYS A 66 -4.973 5.359 -1.467 1.00 0.00 N ATOM 853 CA CYS A 66 -4.081 4.213 -1.594 1.00 0.00 C ATOM 854 C CYS A 66 -2.848 4.577 -2.410 1.00 0.00 C ATOM 855 O CYS A 66 -2.958 5.093 -3.522 1.00 0.00 O ATOM 856 CB CYS A 66 -4.812 3.043 -2.254 1.00 0.00 C ATOM 857 SG CYS A 66 -5.195 1.671 -1.120 1.00 0.00 S ATOM 0 H CYS A 66 -4.718 6.155 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.763 3.918 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.741 3.409 -2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.202 2.663 -3.074 1.00 0.00 H new ATOM 862 N GLU A 67 -1.674 4.305 -1.854 1.00 0.00 N ATOM 863 CA GLU A 67 -0.422 4.600 -2.536 1.00 0.00 C ATOM 864 C GLU A 67 0.549 3.433 -2.416 1.00 0.00 C ATOM 865 O GLU A 67 0.269 2.446 -1.736 1.00 0.00 O ATOM 866 CB GLU A 67 0.213 5.868 -1.960 1.00 0.00 C ATOM 867 CG GLU A 67 0.538 6.916 -3.012 1.00 0.00 C ATOM 868 CD GLU A 67 -0.622 7.855 -3.276 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.430 8.842 -4.016 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.723 7.602 -2.743 1.00 0.00 O ATOM 0 H GLU A 67 -1.564 3.881 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.642 4.761 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.464 6.302 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.128 5.599 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.403 7.495 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.817 6.419 -3.941 1.00 0.00 H new ATOM 877 N SER A 68 1.689 3.551 -3.082 1.00 0.00 N ATOM 878 CA SER A 68 2.700 2.503 -3.051 1.00 0.00 C ATOM 879 C SER A 68 3.791 2.825 -2.038 1.00 0.00 C ATOM 880 O SER A 68 4.423 3.879 -2.101 1.00 0.00 O ATOM 881 CB SER A 68 3.313 2.317 -4.441 1.00 0.00 C ATOM 882 OG SER A 68 4.477 3.110 -4.600 1.00 0.00 O ATOM 0 H SER A 68 1.937 4.361 -3.650 1.00 0.00 H new ATOM 0 HA SER A 68 2.215 1.575 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.562 1.267 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.581 2.585 -5.203 1.00 0.00 H new ATOM 0 HG SER A 68 4.510 3.788 -3.893 1.00 0.00 H new ATOM 888 N VAL A 69 4.009 1.901 -1.109 1.00 0.00 N ATOM 889 CA VAL A 69 5.032 2.068 -0.086 1.00 0.00 C ATOM 890 C VAL A 69 6.364 2.472 -0.707 1.00 0.00 C ATOM 891 O VAL A 69 7.155 1.619 -1.110 1.00 0.00 O ATOM 892 CB VAL A 69 5.229 0.773 0.710 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.553 -0.363 -0.238 1.00 0.00 C ATOM 894 CG2 VAL A 69 3.994 0.454 1.538 1.00 0.00 C ATOM 0 H VAL A 69 3.489 1.026 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 69 4.691 2.857 0.585 1.00 0.00 H new ATOM 0 HB VAL A 69 6.063 0.905 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.693 -1.283 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.732 -0.493 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.468 -0.132 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.157 -0.469 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.803 1.269 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.135 0.333 0.878 1.00 0.00 H new ATOM 904 N LYS A 70 6.605 3.774 -0.785 1.00 0.00 N ATOM 905 CA LYS A 70 7.832 4.285 -1.386 1.00 0.00 C ATOM 906 C LYS A 70 9.003 4.242 -0.408 1.00 0.00 C ATOM 907 O LYS A 70 8.911 4.750 0.710 1.00 0.00 O ATOM 908 CB LYS A 70 7.625 5.720 -1.874 1.00 0.00 C ATOM 909 CG LYS A 70 7.277 5.817 -3.350 1.00 0.00 C ATOM 910 CD LYS A 70 8.499 6.153 -4.188 1.00 0.00 C ATOM 911 CE LYS A 70 8.224 5.970 -5.671 1.00 0.00 C ATOM 912 NZ LYS A 70 7.903 7.261 -6.341 1.00 0.00 N ATOM 0 H LYS A 70 5.970 4.494 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 70 8.073 3.640 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.829 6.182 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.532 6.294 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.851 4.872 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.513 6.581 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.801 7.183 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.332 5.516 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.094 5.520 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.394 5.276 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.722 7.092 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.057 7.679 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.705 7.915 -6.238 1.00 0.00 H new ATOM 926 N CYS A 71 10.115 3.658 -0.850 1.00 0.00 N ATOM 927 CA CYS A 71 11.327 3.593 -0.037 1.00 0.00 C ATOM 928 C CYS A 71 12.399 4.490 -0.635 1.00 0.00 C ATOM 929 O CYS A 71 12.807 4.302 -1.778 1.00 0.00 O ATOM 930 CB CYS A 71 11.872 2.163 0.073 1.00 0.00 C ATOM 931 SG CYS A 71 10.741 0.843 -0.489 1.00 0.00 S ATOM 0 H CYS A 71 10.201 3.222 -1.768 1.00 0.00 H new ATOM 0 HA CYS A 71 11.064 3.932 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.793 2.099 -0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.136 1.973 1.113 1.00 0.00 H new ATOM 936 N GLN A 72 12.853 5.461 0.139 1.00 0.00 N ATOM 937 CA GLN A 72 13.867 6.388 -0.337 1.00 0.00 C ATOM 938 C GLN A 72 15.214 5.691 -0.491 1.00 0.00 C ATOM 939 O GLN A 72 15.280 4.466 -0.592 1.00 0.00 O ATOM 940 CB GLN A 72 13.978 7.586 0.606 1.00 0.00 C ATOM 941 CG GLN A 72 14.730 7.289 1.891 1.00 0.00 C ATOM 942 CD GLN A 72 13.873 7.478 3.127 1.00 0.00 C ATOM 943 OE1 GLN A 72 13.885 8.540 3.749 1.00 0.00 O ATOM 944 NE2 GLN A 72 13.125 6.442 3.492 1.00 0.00 N ATOM 0 H GLN A 72 12.538 5.628 1.095 1.00 0.00 H new ATOM 0 HA GLN A 72 13.565 6.751 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.478 8.402 0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.976 7.934 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.099 6.264 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.602 7.940 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.146 5.580 2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.530 6.508 4.318 1.00 0.00 H new ATOM 953 N SER A 73 16.287 6.475 -0.519 1.00 0.00 N ATOM 954 CA SER A 73 17.630 5.927 -0.677 1.00 0.00 C ATOM 955 C SER A 73 17.855 4.742 0.264 1.00 0.00 C ATOM 956 O SER A 73 17.475 4.791 1.433 1.00 0.00 O ATOM 957 CB SER A 73 18.677 7.010 -0.407 1.00 0.00 C ATOM 958 OG SER A 73 19.909 6.441 0.000 1.00 0.00 O ATOM 0 H SER A 73 16.253 7.491 -0.434 1.00 0.00 H new ATOM 0 HA SER A 73 17.732 5.575 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.828 7.606 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.313 7.687 0.366 1.00 0.00 H new ATOM 0 HG SER A 73 20.261 5.874 -0.718 1.00 0.00 H new ATOM 964 N PRO A 74 18.466 3.654 -0.238 1.00 0.00 N ATOM 965 CA PRO A 74 18.730 2.460 0.570 1.00 0.00 C ATOM 966 C PRO A 74 19.556 2.782 1.812 1.00 0.00 C ATOM 967 O PRO A 74 20.188 3.835 1.892 1.00 0.00 O ATOM 968 CB PRO A 74 19.509 1.537 -0.376 1.00 0.00 C ATOM 969 CG PRO A 74 19.195 2.030 -1.748 1.00 0.00 C ATOM 970 CD PRO A 74 18.953 3.507 -1.620 1.00 0.00 C ATOM 0 HA PRO A 74 17.810 2.011 0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.580 1.582 -0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.205 0.498 -0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.020 1.829 -2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.317 1.526 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.865 4.080 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.218 3.858 -2.345 1.00 0.00 H new ATOM 978 N PRO A 75 19.550 1.881 2.809 1.00 0.00 N ATOM 979 CA PRO A 75 20.292 2.076 4.055 1.00 0.00 C ATOM 980 C PRO A 75 21.691 2.634 3.826 1.00 0.00 C ATOM 981 O PRO A 75 22.251 2.510 2.737 1.00 0.00 O ATOM 982 CB PRO A 75 20.363 0.666 4.633 1.00 0.00 C ATOM 983 CG PRO A 75 19.116 0.005 4.152 1.00 0.00 C ATOM 984 CD PRO A 75 18.819 0.598 2.798 1.00 0.00 C ATOM 0 HA PRO A 75 19.811 2.803 4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 75 21.252 0.139 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 75 20.408 0.685 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.250 -1.075 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.291 0.180 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.162 -0.051 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.749 0.748 2.653 1.00 0.00 H new ATOM 992 N SER A 76 22.249 3.251 4.862 1.00 0.00 N ATOM 993 CA SER A 76 23.583 3.833 4.780 1.00 0.00 C ATOM 994 C SER A 76 24.574 3.040 5.625 1.00 0.00 C ATOM 995 O SER A 76 24.790 3.346 6.798 1.00 0.00 O ATOM 996 CB SER A 76 23.550 5.290 5.244 1.00 0.00 C ATOM 997 OG SER A 76 22.480 5.994 4.637 1.00 0.00 O ATOM 0 H SER A 76 21.797 3.361 5.770 1.00 0.00 H new ATOM 0 HA SER A 76 23.909 3.795 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.445 5.327 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.495 5.775 4.998 1.00 0.00 H new ATOM 0 HG SER A 76 22.479 6.922 4.951 1.00 0.00 H new ATOM 1003 N ILE A 77 25.178 2.024 5.019 1.00 0.00 N ATOM 1004 CA ILE A 77 26.137 1.178 5.719 1.00 0.00 C ATOM 1005 C ILE A 77 27.426 1.933 6.022 1.00 0.00 C ATOM 1006 O ILE A 77 27.558 3.113 5.695 1.00 0.00 O ATOM 1007 CB ILE A 77 26.474 -0.084 4.900 1.00 0.00 C ATOM 1008 CG1 ILE A 77 27.212 0.290 3.609 1.00 0.00 C ATOM 1009 CG2 ILE A 77 25.205 -0.857 4.582 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.985 -0.859 2.998 1.00 0.00 C ATOM 0 H ILE A 77 25.021 1.766 4.045 1.00 0.00 H new ATOM 0 HA ILE A 77 25.668 0.881 6.657 1.00 0.00 H new ATOM 0 HB ILE A 77 27.130 -0.719 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.489 0.658 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.900 1.109 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.456 -1.746 4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.718 -1.154 5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.530 -0.226 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.481 -0.521 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.732 -1.214 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.299 -1.671 2.757 1.00 0.00 H new ATOM 1022 N SER A 78 28.375 1.241 6.642 1.00 0.00 N ATOM 1023 CA SER A 78 29.660 1.839 6.977 1.00 0.00 C ATOM 1024 C SER A 78 30.712 1.466 5.940 1.00 0.00 C ATOM 1025 O SER A 78 30.682 0.372 5.377 1.00 0.00 O ATOM 1026 CB SER A 78 30.112 1.384 8.366 1.00 0.00 C ATOM 1027 OG SER A 78 29.162 1.739 9.355 1.00 0.00 O ATOM 0 H SER A 78 28.278 0.265 6.923 1.00 0.00 H new ATOM 0 HA SER A 78 29.542 2.923 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 78 30.257 0.304 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.075 1.836 8.604 1.00 0.00 H new ATOM 0 HG SER A 78 29.474 1.435 10.233 1.00 0.00 H new ATOM 1033 N ASN A 79 31.638 2.383 5.688 1.00 0.00 N ATOM 1034 CA ASN A 79 32.696 2.150 4.716 1.00 0.00 C ATOM 1035 C ASN A 79 32.116 1.734 3.369 1.00 0.00 C ATOM 1036 O ASN A 79 32.739 0.982 2.620 1.00 0.00 O ATOM 1037 CB ASN A 79 33.656 1.073 5.224 1.00 0.00 C ATOM 1038 CG ASN A 79 33.932 1.195 6.707 1.00 0.00 C ATOM 1039 OD1 ASN A 79 34.461 2.206 7.171 1.00 0.00 O ATOM 1040 ND2 ASN A 79 33.582 0.161 7.460 1.00 0.00 N ATOM 0 H ASN A 79 31.677 3.295 6.144 1.00 0.00 H new ATOM 0 HA ASN A 79 33.244 3.083 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 79 33.236 0.089 5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 79 34.596 1.141 4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 79 33.749 0.183 8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 79 33.146 -0.656 7.033 1.00 0.00 H new ATOM 1047 N GLY A 80 30.918 2.224 3.069 1.00 0.00 N ATOM 1048 CA GLY A 80 30.277 1.891 1.812 1.00 0.00 C ATOM 1049 C GLY A 80 28.980 2.645 1.594 1.00 0.00 C ATOM 1050 O GLY A 80 28.648 3.557 2.350 1.00 0.00 O ATOM 0 H GLY A 80 30.380 2.845 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.961 2.110 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 80 30.078 0.820 1.784 1.00 0.00 H new ATOM 1054 N ARG A 81 28.257 2.275 0.540 1.00 0.00 N ATOM 1055 CA ARG A 81 27.000 2.928 0.202 1.00 0.00 C ATOM 1056 C ARG A 81 26.278 2.166 -0.900 1.00 0.00 C ATOM 1057 O ARG A 81 26.717 1.099 -1.321 1.00 0.00 O ATOM 1058 CB ARG A 81 27.259 4.366 -0.248 1.00 0.00 C ATOM 1059 CG ARG A 81 28.532 4.529 -1.060 1.00 0.00 C ATOM 1060 CD ARG A 81 28.966 5.983 -1.118 1.00 0.00 C ATOM 1061 NE ARG A 81 29.206 6.426 -2.488 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.836 7.554 -2.798 1.00 0.00 C ATOM 1063 NH1 ARG A 81 30.017 7.888 -4.068 1.00 0.00 N ATOM 1064 NH2 ARG A 81 30.285 8.351 -1.837 1.00 0.00 N ATOM 0 H ARG A 81 28.523 1.523 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 81 26.369 2.938 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.412 4.710 -0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.314 5.009 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.327 3.927 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.372 4.154 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.198 6.609 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 81 29.874 6.114 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 81 28.871 5.837 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 81 29.672 7.279 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.501 8.754 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 81 30.147 8.098 -0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 81 30.768 9.217 -2.077 1.00 0.00 H new ATOM 1078 N HIS A 82 25.177 2.731 -1.373 1.00 0.00 N ATOM 1079 CA HIS A 82 24.413 2.121 -2.454 1.00 0.00 C ATOM 1080 C HIS A 82 24.878 2.667 -3.805 1.00 0.00 C ATOM 1081 O HIS A 82 25.730 3.554 -3.858 1.00 0.00 O ATOM 1082 CB HIS A 82 22.916 2.361 -2.258 1.00 0.00 C ATOM 1083 CG HIS A 82 22.578 3.754 -1.825 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.742 4.201 -0.530 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.072 4.799 -2.520 1.00 0.00 C ATOM 1086 CE1 HIS A 82 22.359 5.463 -0.450 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.947 5.848 -1.643 1.00 0.00 N ATOM 0 H HIS A 82 24.792 3.610 -1.027 1.00 0.00 H new ATOM 0 HA HIS A 82 24.587 1.045 -2.439 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.398 2.145 -3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.539 1.658 -1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.815 4.807 -3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 82 22.380 6.075 0.440 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.593 6.776 -1.876 1.00 0.00 H new ATOM 1096 N ASN A 83 24.347 2.116 -4.895 1.00 0.00 N ATOM 1097 CA ASN A 83 24.757 2.542 -6.232 1.00 0.00 C ATOM 1098 C ASN A 83 23.685 3.387 -6.911 1.00 0.00 C ATOM 1099 O ASN A 83 23.997 4.341 -7.624 1.00 0.00 O ATOM 1100 CB ASN A 83 25.084 1.329 -7.105 1.00 0.00 C ATOM 1101 CG ASN A 83 23.939 0.339 -7.182 1.00 0.00 C ATOM 1102 OD1 ASN A 83 23.115 0.256 -6.274 1.00 0.00 O ATOM 1103 ND2 ASN A 83 23.886 -0.420 -8.270 1.00 0.00 N ATOM 0 H ASN A 83 23.639 1.381 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 83 25.650 3.156 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 83 25.335 1.667 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.967 0.828 -6.708 1.00 0.00 H new ATOM 0 HD21 ASN A 83 23.139 -1.107 -8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 83 24.592 -0.317 -8.999 1.00 0.00 H new ATOM 1110 N GLY A 84 22.424 3.026 -6.702 1.00 0.00 N ATOM 1111 CA GLY A 84 21.328 3.752 -7.325 1.00 0.00 C ATOM 1112 C GLY A 84 21.493 5.257 -7.244 1.00 0.00 C ATOM 1113 O GLY A 84 21.767 5.915 -8.248 1.00 0.00 O ATOM 0 H GLY A 84 22.139 2.244 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.252 3.456 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.392 3.468 -6.844 1.00 0.00 H new ATOM 1117 N TYR A 85 21.334 5.787 -6.042 1.00 0.00 N ATOM 1118 CA TYR A 85 21.436 7.198 -5.793 1.00 0.00 C ATOM 1119 C TYR A 85 20.323 7.932 -6.505 1.00 0.00 C ATOM 1120 O TYR A 85 20.457 9.102 -6.865 1.00 0.00 O ATOM 1121 CB TYR A 85 22.794 7.700 -6.232 1.00 0.00 C ATOM 1122 CG TYR A 85 23.848 7.556 -5.165 1.00 0.00 C ATOM 1123 CD1 TYR A 85 24.746 8.579 -4.895 1.00 0.00 C ATOM 1124 CD2 TYR A 85 23.930 6.393 -4.415 1.00 0.00 C ATOM 1125 CE1 TYR A 85 25.704 8.441 -3.909 1.00 0.00 C ATOM 1126 CE2 TYR A 85 24.881 6.246 -3.431 1.00 0.00 C ATOM 1127 CZ TYR A 85 25.768 7.272 -3.180 1.00 0.00 C ATOM 1128 OH TYR A 85 26.719 7.129 -2.198 1.00 0.00 O ATOM 0 H TYR A 85 21.129 5.235 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 85 21.333 7.386 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 85 23.108 7.153 -7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 85 22.713 8.749 -6.516 1.00 0.00 H new ATOM 0 HD1 TYR A 85 24.695 9.496 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 85 23.236 5.588 -4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.399 9.244 -3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 85 24.932 5.332 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 85 26.359 7.450 -1.345 1.00 0.00 H new ATOM 1138 N GLU A 86 19.210 7.234 -6.686 1.00 0.00 N ATOM 1139 CA GLU A 86 18.068 7.803 -7.350 1.00 0.00 C ATOM 1140 C GLU A 86 17.422 8.879 -6.473 1.00 0.00 C ATOM 1141 O GLU A 86 17.843 10.036 -6.490 1.00 0.00 O ATOM 1142 CB GLU A 86 17.065 6.697 -7.706 1.00 0.00 C ATOM 1143 CG GLU A 86 17.142 6.250 -9.144 1.00 0.00 C ATOM 1144 CD GLU A 86 15.785 5.901 -9.722 1.00 0.00 C ATOM 1145 OE1 GLU A 86 14.768 6.388 -9.185 1.00 0.00 O ATOM 1146 OE2 GLU A 86 15.739 5.138 -10.710 1.00 0.00 O ATOM 0 H GLU A 86 19.083 6.270 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 86 18.392 8.280 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.239 5.838 -7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.056 7.053 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.595 7.041 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.797 5.382 -9.216 1.00 0.00 H new ATOM 1153 N ASP A 87 16.359 8.513 -5.764 1.00 0.00 N ATOM 1154 CA ASP A 87 15.683 9.424 -4.868 1.00 0.00 C ATOM 1155 C ASP A 87 14.604 8.682 -4.106 1.00 0.00 C ATOM 1156 O ASP A 87 14.355 8.944 -2.929 1.00 0.00 O ATOM 1157 CB ASP A 87 15.078 10.593 -5.642 1.00 0.00 C ATOM 1158 CG ASP A 87 15.918 11.851 -5.544 1.00 0.00 C ATOM 1159 OD1 ASP A 87 16.203 12.459 -6.597 1.00 0.00 O ATOM 1160 OD2 ASP A 87 16.291 12.230 -4.413 1.00 0.00 O ATOM 0 H ASP A 87 15.949 7.580 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 87 16.409 9.826 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.969 10.313 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.077 10.798 -5.261 1.00 0.00 H new ATOM 1165 N PHE A 88 13.961 7.749 -4.800 1.00 0.00 N ATOM 1166 CA PHE A 88 12.886 6.973 -4.215 1.00 0.00 C ATOM 1167 C PHE A 88 12.758 5.606 -4.874 1.00 0.00 C ATOM 1168 O PHE A 88 13.239 5.388 -5.986 1.00 0.00 O ATOM 1169 CB PHE A 88 11.576 7.739 -4.340 1.00 0.00 C ATOM 1170 CG PHE A 88 11.339 8.682 -3.205 1.00 0.00 C ATOM 1171 CD1 PHE A 88 10.684 8.254 -2.065 1.00 0.00 C ATOM 1172 CD2 PHE A 88 11.795 9.986 -3.265 1.00 0.00 C ATOM 1173 CE1 PHE A 88 10.473 9.115 -1.009 1.00 0.00 C ATOM 1174 CE2 PHE A 88 11.588 10.854 -2.214 1.00 0.00 C ATOM 1175 CZ PHE A 88 10.925 10.419 -1.082 1.00 0.00 C ATOM 0 H PHE A 88 14.170 7.515 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 88 13.118 6.811 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.577 8.298 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.750 7.029 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.334 7.234 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.319 10.328 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.955 8.771 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.943 11.872 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.761 11.096 -0.257 1.00 0.00 H new ATOM 1185 N TYR A 89 12.118 4.687 -4.163 1.00 0.00 N ATOM 1186 CA TYR A 89 11.919 3.328 -4.650 1.00 0.00 C ATOM 1187 C TYR A 89 10.567 2.800 -4.187 1.00 0.00 C ATOM 1188 O TYR A 89 9.905 3.426 -3.361 1.00 0.00 O ATOM 1189 CB TYR A 89 13.045 2.416 -4.152 1.00 0.00 C ATOM 1190 CG TYR A 89 14.424 2.864 -4.589 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.121 2.166 -5.566 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.024 3.987 -4.029 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.378 2.572 -5.973 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.281 4.399 -4.430 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.953 3.688 -5.402 1.00 0.00 C ATOM 1196 OH TYR A 89 18.205 4.094 -5.804 1.00 0.00 O ATOM 0 H TYR A 89 11.724 4.861 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 89 11.937 3.338 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.013 2.375 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.869 1.403 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.674 1.292 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.499 4.546 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.907 2.018 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.734 5.272 -3.985 1.00 0.00 H new ATOM 0 HH TYR A 89 18.771 4.238 -5.017 1.00 0.00 H new ATOM 1206 N THR A 90 10.150 1.660 -4.724 1.00 0.00 N ATOM 1207 CA THR A 90 8.858 1.085 -4.363 1.00 0.00 C ATOM 1208 C THR A 90 8.968 -0.406 -4.069 1.00 0.00 C ATOM 1209 O THR A 90 10.045 -0.994 -4.169 1.00 0.00 O ATOM 1210 CB THR A 90 7.845 1.319 -5.485 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.406 0.990 -6.744 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.354 2.749 -5.559 1.00 0.00 C ATOM 0 H THR A 90 10.682 1.118 -5.405 1.00 0.00 H new ATOM 0 HA THR A 90 8.518 1.583 -3.455 1.00 0.00 H new ATOM 0 HB THR A 90 6.999 0.674 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.742 1.145 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.639 2.846 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.871 3.017 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.199 3.415 -5.735 1.00 0.00 H new ATOM 1220 N ASP A 91 7.843 -1.010 -3.698 1.00 0.00 N ATOM 1221 CA ASP A 91 7.800 -2.429 -3.393 1.00 0.00 C ATOM 1222 C ASP A 91 8.161 -3.252 -4.609 1.00 0.00 C ATOM 1223 O ASP A 91 7.346 -3.468 -5.505 1.00 0.00 O ATOM 1224 CB ASP A 91 6.418 -2.835 -2.904 1.00 0.00 C ATOM 1225 CG ASP A 91 6.470 -3.899 -1.826 1.00 0.00 C ATOM 1226 OD1 ASP A 91 7.487 -4.621 -1.754 1.00 0.00 O ATOM 1227 OD2 ASP A 91 5.494 -4.012 -1.055 1.00 0.00 O ATOM 0 H ASP A 91 6.947 -0.532 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 91 8.529 -2.618 -2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.901 -1.957 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.833 -3.205 -3.746 1.00 0.00 H new ATOM 1232 N GLY A 92 9.392 -3.705 -4.619 1.00 0.00 N ATOM 1233 CA GLY A 92 9.875 -4.528 -5.706 1.00 0.00 C ATOM 1234 C GLY A 92 11.095 -3.946 -6.393 1.00 0.00 C ATOM 1235 O GLY A 92 11.437 -4.351 -7.504 1.00 0.00 O ATOM 0 H GLY A 92 10.078 -3.519 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.119 -5.519 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.079 -4.656 -6.439 1.00 0.00 H new ATOM 1239 N SER A 93 11.758 -2.995 -5.739 1.00 0.00 N ATOM 1240 CA SER A 93 12.956 -2.386 -6.308 1.00 0.00 C ATOM 1241 C SER A 93 14.209 -3.012 -5.710 1.00 0.00 C ATOM 1242 O SER A 93 14.165 -3.595 -4.627 1.00 0.00 O ATOM 1243 CB SER A 93 12.963 -0.872 -6.078 1.00 0.00 C ATOM 1244 OG SER A 93 11.652 -0.379 -5.876 1.00 0.00 O ATOM 0 H SER A 93 11.489 -2.633 -4.824 1.00 0.00 H new ATOM 0 HA SER A 93 12.949 -2.571 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.581 -0.636 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.414 -0.373 -6.936 1.00 0.00 H new ATOM 0 HG SER A 93 11.316 -0.689 -5.009 1.00 0.00 H new ATOM 1250 N VAL A 94 15.320 -2.904 -6.427 1.00 0.00 N ATOM 1251 CA VAL A 94 16.576 -3.477 -5.966 1.00 0.00 C ATOM 1252 C VAL A 94 17.735 -2.509 -6.176 1.00 0.00 C ATOM 1253 O VAL A 94 17.711 -1.673 -7.079 1.00 0.00 O ATOM 1254 CB VAL A 94 16.878 -4.810 -6.682 1.00 0.00 C ATOM 1255 CG1 VAL A 94 15.787 -5.824 -6.382 1.00 0.00 C ATOM 1256 CG2 VAL A 94 18.241 -5.354 -6.277 1.00 0.00 C ATOM 0 H VAL A 94 15.376 -2.427 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 94 16.468 -3.668 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 94 16.899 -4.624 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 94 16.011 -6.761 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 94 15.738 -5.999 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.828 -5.441 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.427 -6.294 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.014 -4.633 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.259 -5.525 -5.201 1.00 0.00 H new ATOM 1266 N VAL A 95 18.747 -2.637 -5.328 1.00 0.00 N ATOM 1267 CA VAL A 95 19.929 -1.791 -5.405 1.00 0.00 C ATOM 1268 C VAL A 95 21.168 -2.562 -4.975 1.00 0.00 C ATOM 1269 O VAL A 95 21.088 -3.479 -4.158 1.00 0.00 O ATOM 1270 CB VAL A 95 19.784 -0.539 -4.524 1.00 0.00 C ATOM 1271 CG1 VAL A 95 20.979 0.380 -4.689 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.498 0.197 -4.855 1.00 0.00 C ATOM 0 H VAL A 95 18.772 -3.324 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 95 20.034 -1.478 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 95 19.743 -0.859 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.853 1.258 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 95 21.887 -0.149 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.057 0.692 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.411 1.080 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.511 0.500 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.647 -0.461 -4.679 1.00 0.00 H new ATOM 1282 N THR A 96 22.308 -2.194 -5.538 1.00 0.00 N ATOM 1283 CA THR A 96 23.562 -2.859 -5.219 1.00 0.00 C ATOM 1284 C THR A 96 24.477 -1.939 -4.426 1.00 0.00 C ATOM 1285 O THR A 96 24.757 -0.813 -4.837 1.00 0.00 O ATOM 1286 CB THR A 96 24.260 -3.323 -6.498 1.00 0.00 C ATOM 1287 OG1 THR A 96 23.572 -2.849 -7.642 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.359 -4.828 -6.612 1.00 0.00 C ATOM 0 H THR A 96 22.391 -1.438 -6.218 1.00 0.00 H new ATOM 0 HA THR A 96 23.337 -3.731 -4.605 1.00 0.00 H new ATOM 0 HB THR A 96 25.268 -2.912 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.152 -2.927 -8.428 1.00 0.00 H new ATOM 0 HG21 THR A 96 24.864 -5.090 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 96 24.926 -5.220 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.358 -5.260 -6.609 1.00 0.00 H new ATOM 1296 N TYR A 97 24.932 -2.427 -3.281 1.00 0.00 N ATOM 1297 CA TYR A 97 25.796 -1.651 -2.411 1.00 0.00 C ATOM 1298 C TYR A 97 27.248 -1.746 -2.842 1.00 0.00 C ATOM 1299 O TYR A 97 27.661 -2.714 -3.479 1.00 0.00 O ATOM 1300 CB TYR A 97 25.647 -2.121 -0.969 1.00 0.00 C ATOM 1301 CG TYR A 97 24.521 -1.444 -0.235 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.712 -0.935 1.040 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.265 -1.314 -0.816 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.683 -0.314 1.719 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.233 -0.695 -0.144 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.445 -0.198 1.124 1.00 0.00 C ATOM 1307 OH TYR A 97 21.418 0.421 1.796 1.00 0.00 O ATOM 0 H TYR A 97 24.715 -3.361 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 97 25.492 -0.607 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.481 -3.198 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.580 -1.938 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.680 -1.026 1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.095 -1.704 -1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.847 0.079 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.263 -0.600 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 97 21.553 1.391 1.778 1.00 0.00 H new ATOM 1317 N SER A 98 28.016 -0.725 -2.490 1.00 0.00 N ATOM 1318 CA SER A 98 29.427 -0.676 -2.843 1.00 0.00 C ATOM 1319 C SER A 98 30.216 0.171 -1.852 1.00 0.00 C ATOM 1320 O SER A 98 29.708 1.153 -1.311 1.00 0.00 O ATOM 1321 CB SER A 98 29.600 -0.119 -4.253 1.00 0.00 C ATOM 1322 OG SER A 98 29.327 1.271 -4.292 1.00 0.00 O ATOM 0 H SER A 98 27.685 0.081 -1.960 1.00 0.00 H new ATOM 0 HA SER A 98 29.815 -1.694 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.618 -0.302 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.933 -0.643 -4.938 1.00 0.00 H new ATOM 0 HG SER A 98 29.447 1.602 -5.206 1.00 0.00 H new ATOM 1328 N CYS A 99 31.470 -0.207 -1.641 1.00 0.00 N ATOM 1329 CA CYS A 99 32.341 0.493 -0.710 1.00 0.00 C ATOM 1330 C CYS A 99 32.726 1.875 -1.220 1.00 0.00 C ATOM 1331 O CYS A 99 32.647 2.155 -2.416 1.00 0.00 O ATOM 1332 CB CYS A 99 33.596 -0.335 -0.471 1.00 0.00 C ATOM 1333 SG CYS A 99 33.251 -2.105 -0.214 1.00 0.00 S ATOM 0 H CYS A 99 31.908 -1.001 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 99 31.795 0.627 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.266 -0.222 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 99 34.121 0.056 0.400 1.00 0.00 H new ATOM 1338 N ASN A 100 33.171 2.725 -0.300 1.00 0.00 N ATOM 1339 CA ASN A 100 33.579 4.081 -0.641 1.00 0.00 C ATOM 1340 C ASN A 100 35.035 4.122 -1.100 1.00 0.00 C ATOM 1341 O ASN A 100 35.320 4.376 -2.271 1.00 0.00 O ATOM 1342 CB ASN A 100 33.393 5.003 0.566 1.00 0.00 C ATOM 1343 CG ASN A 100 32.046 4.814 1.235 1.00 0.00 C ATOM 1344 OD1 ASN A 100 31.031 4.619 0.568 1.00 0.00 O ATOM 1345 ND2 ASN A 100 32.031 4.867 2.562 1.00 0.00 N ATOM 0 H ASN A 100 33.258 2.496 0.690 1.00 0.00 H new ATOM 0 HA ASN A 100 32.951 4.424 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 100 34.185 4.813 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 100 33.495 6.040 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 100 31.154 4.744 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 100 32.897 5.031 3.076 1.00 0.00 H new ATOM 1352 N SER A 101 35.951 3.881 -0.167 1.00 0.00 N ATOM 1353 CA SER A 101 37.380 3.918 -0.463 1.00 0.00 C ATOM 1354 C SER A 101 37.838 2.654 -1.186 1.00 0.00 C ATOM 1355 O SER A 101 38.601 2.723 -2.150 1.00 0.00 O ATOM 1356 CB SER A 101 38.181 4.095 0.829 1.00 0.00 C ATOM 1357 OG SER A 101 37.956 5.373 1.399 1.00 0.00 O ATOM 0 H SER A 101 35.729 3.657 0.803 1.00 0.00 H new ATOM 0 HA SER A 101 37.559 4.767 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 101 37.901 3.321 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 101 39.244 3.968 0.622 1.00 0.00 H new ATOM 0 HG SER A 101 38.478 5.460 2.224 1.00 0.00 H new ATOM 1363 N GLY A 102 37.396 1.499 -0.698 1.00 0.00 N ATOM 1364 CA GLY A 102 37.768 0.245 -1.314 1.00 0.00 C ATOM 1365 C GLY A 102 37.714 -0.923 -0.347 1.00 0.00 C ATOM 1366 O GLY A 102 38.593 -1.784 -0.349 1.00 0.00 O ATOM 0 H GLY A 102 36.786 1.413 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 102 37.103 0.046 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.776 0.329 -1.719 1.00 0.00 H new ATOM 1370 N TYR A 103 36.672 -0.951 0.475 1.00 0.00 N ATOM 1371 CA TYR A 103 36.479 -2.019 1.444 1.00 0.00 C ATOM 1372 C TYR A 103 35.927 -3.266 0.752 1.00 0.00 C ATOM 1373 O TYR A 103 35.920 -3.343 -0.477 1.00 0.00 O ATOM 1374 CB TYR A 103 35.524 -1.535 2.539 1.00 0.00 C ATOM 1375 CG TYR A 103 36.220 -0.853 3.695 1.00 0.00 C ATOM 1376 CD1 TYR A 103 36.436 -1.521 4.892 1.00 0.00 C ATOM 1377 CD2 TYR A 103 36.657 0.461 3.589 1.00 0.00 C ATOM 1378 CE1 TYR A 103 37.066 -0.899 5.954 1.00 0.00 C ATOM 1379 CE2 TYR A 103 37.293 1.089 4.644 1.00 0.00 C ATOM 1380 CZ TYR A 103 37.498 0.403 5.823 1.00 0.00 C ATOM 1381 OH TYR A 103 38.130 1.024 6.876 1.00 0.00 O ATOM 0 H TYR A 103 35.942 -0.238 0.488 1.00 0.00 H new ATOM 0 HA TYR A 103 37.435 -2.282 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.804 -0.844 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.959 -2.386 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 103 36.106 -2.544 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 103 36.497 1.001 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 103 37.219 -1.431 6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 103 37.627 2.111 4.545 1.00 0.00 H new ATOM 0 HH TYR A 103 38.372 1.938 6.619 1.00 0.00 H new ATOM 1391 N SER A 104 35.434 -4.226 1.530 1.00 0.00 N ATOM 1392 CA SER A 104 34.885 -5.451 0.963 1.00 0.00 C ATOM 1393 C SER A 104 33.397 -5.601 1.283 1.00 0.00 C ATOM 1394 O SER A 104 33.027 -5.955 2.404 1.00 0.00 O ATOM 1395 CB SER A 104 35.653 -6.665 1.488 1.00 0.00 C ATOM 1396 OG SER A 104 37.049 -6.421 1.494 1.00 0.00 O ATOM 0 H SER A 104 35.404 -4.179 2.548 1.00 0.00 H new ATOM 0 HA SER A 104 34.993 -5.392 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 104 35.318 -6.903 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 104 35.435 -7.534 0.867 1.00 0.00 H new ATOM 0 HG SER A 104 37.286 -5.896 2.287 1.00 0.00 H new ATOM 1402 N LEU A 105 32.551 -5.358 0.280 1.00 0.00 N ATOM 1403 CA LEU A 105 31.109 -5.498 0.423 1.00 0.00 C ATOM 1404 C LEU A 105 30.766 -6.814 1.099 1.00 0.00 C ATOM 1405 O LEU A 105 31.095 -7.891 0.601 1.00 0.00 O ATOM 1406 CB LEU A 105 30.439 -5.429 -0.949 1.00 0.00 C ATOM 1407 CG LEU A 105 29.244 -4.480 -1.055 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.561 -3.137 -0.416 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.004 -5.101 -0.423 1.00 0.00 C ATOM 0 H LEU A 105 32.849 -5.060 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 105 30.741 -4.681 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.186 -5.127 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 105 30.109 -6.431 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 105 29.038 -4.311 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.696 -2.479 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.801 -3.283 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.414 -2.685 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.166 -4.409 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.761 -6.031 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.197 -5.307 0.630 1.00 0.00 H new ATOM 1421 N ILE A 106 30.137 -6.713 2.253 1.00 0.00 N ATOM 1422 CA ILE A 106 29.768 -7.879 3.028 1.00 0.00 C ATOM 1423 C ILE A 106 28.344 -8.307 2.719 1.00 0.00 C ATOM 1424 O ILE A 106 27.553 -7.522 2.204 1.00 0.00 O ATOM 1425 CB ILE A 106 29.894 -7.587 4.525 1.00 0.00 C ATOM 1426 CG1 ILE A 106 31.312 -7.117 4.851 1.00 0.00 C ATOM 1427 CG2 ILE A 106 29.523 -8.811 5.344 1.00 0.00 C ATOM 1428 CD1 ILE A 106 32.350 -8.216 4.789 1.00 0.00 C ATOM 0 H ILE A 106 29.869 -5.825 2.677 1.00 0.00 H new ATOM 0 HA ILE A 106 30.447 -8.687 2.757 1.00 0.00 H new ATOM 0 HB ILE A 106 29.199 -6.789 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 106 31.592 -6.326 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.319 -6.680 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.619 -8.582 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 106 28.494 -9.096 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 106 30.189 -9.635 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 106 33.330 -7.805 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 106 32.096 -8.997 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 106 32.373 -8.639 3.785 1.00 0.00 H new ATOM 1440 N GLY A 107 28.022 -9.550 3.042 1.00 0.00 N ATOM 1441 CA GLY A 107 26.693 -10.055 2.773 1.00 0.00 C ATOM 1442 C GLY A 107 26.357 -9.998 1.301 1.00 0.00 C ATOM 1443 O GLY A 107 27.090 -10.528 0.467 1.00 0.00 O ATOM 0 H GLY A 107 28.655 -10.216 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 107 26.618 -11.085 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 107 25.963 -9.473 3.335 1.00 0.00 H new ATOM 1447 N ASN A 108 25.259 -9.333 0.983 1.00 0.00 N ATOM 1448 CA ASN A 108 24.829 -9.187 -0.402 1.00 0.00 C ATOM 1449 C ASN A 108 24.635 -7.718 -0.760 1.00 0.00 C ATOM 1450 O ASN A 108 23.863 -7.009 -0.115 1.00 0.00 O ATOM 1451 CB ASN A 108 23.530 -9.956 -0.643 1.00 0.00 C ATOM 1452 CG ASN A 108 23.573 -11.360 -0.073 1.00 0.00 C ATOM 1453 OD1 ASN A 108 23.611 -12.342 -0.814 1.00 0.00 O ATOM 1454 ND2 ASN A 108 23.568 -11.463 1.251 1.00 0.00 N ATOM 0 H ASN A 108 24.647 -8.884 1.664 1.00 0.00 H new ATOM 0 HA ASN A 108 25.610 -9.600 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 108 22.700 -9.410 -0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 108 23.336 -10.008 -1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 108 23.596 -12.383 1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 108 23.536 -10.622 1.828 1.00 0.00 H new ATOM 1461 N SER A 109 25.344 -7.265 -1.789 1.00 0.00 N ATOM 1462 CA SER A 109 25.237 -5.883 -2.240 1.00 0.00 C ATOM 1463 C SER A 109 23.798 -5.556 -2.619 1.00 0.00 C ATOM 1464 O SER A 109 23.364 -4.408 -2.533 1.00 0.00 O ATOM 1465 CB SER A 109 26.167 -5.640 -3.429 1.00 0.00 C ATOM 1466 OG SER A 109 25.658 -4.632 -4.285 1.00 0.00 O ATOM 0 H SER A 109 25.998 -7.835 -2.326 1.00 0.00 H new ATOM 0 HA SER A 109 25.537 -5.228 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.153 -5.349 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.293 -6.566 -3.990 1.00 0.00 H new ATOM 0 HG SER A 109 26.336 -4.396 -4.952 1.00 0.00 H new ATOM 1472 N GLY A 110 23.066 -6.580 -3.032 1.00 0.00 N ATOM 1473 CA GLY A 110 21.684 -6.397 -3.428 1.00 0.00 C ATOM 1474 C GLY A 110 20.775 -6.071 -2.258 1.00 0.00 C ATOM 1475 O GLY A 110 20.859 -6.701 -1.204 1.00 0.00 O ATOM 0 H GLY A 110 23.406 -7.539 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 110 21.625 -5.594 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.328 -7.304 -3.917 1.00 0.00 H new ATOM 1479 N VAL A 111 19.900 -5.088 -2.448 1.00 0.00 N ATOM 1480 CA VAL A 111 18.953 -4.690 -1.411 1.00 0.00 C ATOM 1481 C VAL A 111 17.544 -4.596 -1.980 1.00 0.00 C ATOM 1482 O VAL A 111 17.288 -3.819 -2.897 1.00 0.00 O ATOM 1483 CB VAL A 111 19.330 -3.343 -0.776 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.649 -3.180 0.575 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.838 -3.212 -0.640 1.00 0.00 C ATOM 0 H VAL A 111 19.827 -4.551 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 111 18.989 -5.458 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 111 18.981 -2.546 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.928 -2.220 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.568 -3.219 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.963 -3.984 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.080 -2.250 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.218 -4.016 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.299 -3.276 -1.626 1.00 0.00 H new ATOM 1495 N LEU A 112 16.635 -5.402 -1.443 1.00 0.00 N ATOM 1496 CA LEU A 112 15.259 -5.421 -1.924 1.00 0.00 C ATOM 1497 C LEU A 112 14.425 -4.323 -1.279 1.00 0.00 C ATOM 1498 O LEU A 112 14.223 -4.311 -0.065 1.00 0.00 O ATOM 1499 CB LEU A 112 14.612 -6.779 -1.646 1.00 0.00 C ATOM 1500 CG LEU A 112 13.103 -6.843 -1.907 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.544 -8.191 -1.478 1.00 0.00 C ATOM 1502 CD2 LEU A 112 12.805 -6.583 -3.376 1.00 0.00 C ATOM 0 H LEU A 112 16.825 -6.048 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 112 15.290 -5.245 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.104 -7.532 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.797 -7.047 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 112 12.618 -6.067 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.472 -8.218 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.034 -8.984 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.725 -8.338 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.729 -6.632 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.170 -5.594 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.302 -7.337 -3.987 1.00 0.00 H new ATOM 1514 N CYS A 113 13.911 -3.424 -2.108 1.00 0.00 N ATOM 1515 CA CYS A 113 13.038 -2.363 -1.634 1.00 0.00 C ATOM 1516 C CYS A 113 11.607 -2.875 -1.569 1.00 0.00 C ATOM 1517 O CYS A 113 10.930 -2.988 -2.594 1.00 0.00 O ATOM 1518 CB CYS A 113 13.118 -1.153 -2.561 1.00 0.00 C ATOM 1519 SG CYS A 113 11.856 0.126 -2.245 1.00 0.00 S ATOM 0 H CYS A 113 14.085 -3.410 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 113 13.359 -2.057 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.106 -0.702 -2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.022 -1.494 -3.592 1.00 0.00 H new ATOM 1524 N SER A 114 11.173 -3.224 -0.367 1.00 0.00 N ATOM 1525 CA SER A 114 9.834 -3.757 -0.165 1.00 0.00 C ATOM 1526 C SER A 114 9.179 -3.140 1.063 1.00 0.00 C ATOM 1527 O SER A 114 9.853 -2.576 1.925 1.00 0.00 O ATOM 1528 CB SER A 114 9.888 -5.278 -0.016 1.00 0.00 C ATOM 1529 OG SER A 114 8.734 -5.768 0.644 1.00 0.00 O ATOM 0 H SER A 114 11.730 -3.148 0.484 1.00 0.00 H new ATOM 0 HA SER A 114 9.234 -3.502 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.972 -5.740 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.779 -5.560 0.545 1.00 0.00 H new ATOM 0 HG SER A 114 7.940 -5.568 0.106 1.00 0.00 H new ATOM 1535 N GLY A 115 7.859 -3.248 1.129 1.00 0.00 N ATOM 1536 CA GLY A 115 7.119 -2.700 2.251 1.00 0.00 C ATOM 1537 C GLY A 115 7.521 -1.275 2.579 1.00 0.00 C ATOM 1538 O GLY A 115 7.363 -0.825 3.714 1.00 0.00 O ATOM 0 H GLY A 115 7.284 -3.707 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.053 -2.730 2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.278 -3.329 3.127 1.00 0.00 H new ATOM 1542 N GLY A 116 8.032 -0.558 1.582 1.00 0.00 N ATOM 1543 CA GLY A 116 8.459 0.810 1.797 1.00 0.00 C ATOM 1544 C GLY A 116 9.799 0.900 2.507 1.00 0.00 C ATOM 1545 O GLY A 116 10.236 1.988 2.881 1.00 0.00 O ATOM 0 H GLY A 116 8.157 -0.902 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.526 1.321 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.705 1.334 2.385 1.00 0.00 H new ATOM 1549 N GLU A 117 10.454 -0.244 2.691 1.00 0.00 N ATOM 1550 CA GLU A 117 11.750 -0.288 3.353 1.00 0.00 C ATOM 1551 C GLU A 117 12.723 -1.156 2.567 1.00 0.00 C ATOM 1552 O GLU A 117 12.392 -1.663 1.496 1.00 0.00 O ATOM 1553 CB GLU A 117 11.602 -0.829 4.775 1.00 0.00 C ATOM 1554 CG GLU A 117 11.242 -2.305 4.830 1.00 0.00 C ATOM 1555 CD GLU A 117 11.336 -2.875 6.231 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.469 -3.104 6.704 1.00 0.00 O ATOM 1557 OE2 GLU A 117 10.277 -3.091 6.857 1.00 0.00 O ATOM 0 H GLU A 117 10.105 -1.154 2.389 1.00 0.00 H new ATOM 0 HA GLU A 117 12.145 0.727 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.536 -0.671 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.834 -0.257 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.229 -2.442 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.906 -2.862 4.169 1.00 0.00 H new ATOM 1564 N TRP A 118 13.919 -1.330 3.110 1.00 0.00 N ATOM 1565 CA TRP A 118 14.942 -2.126 2.456 1.00 0.00 C ATOM 1566 C TRP A 118 15.270 -3.373 3.266 1.00 0.00 C ATOM 1567 O TRP A 118 15.244 -3.351 4.497 1.00 0.00 O ATOM 1568 CB TRP A 118 16.196 -1.282 2.252 1.00 0.00 C ATOM 1569 CG TRP A 118 15.988 -0.162 1.285 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.585 1.108 1.580 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.139 -0.219 -0.136 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.489 1.849 0.429 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.824 1.057 -0.638 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.517 -1.222 -1.033 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.876 1.355 -1.995 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.568 -0.924 -2.381 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.250 0.356 -2.850 1.00 0.00 C ATOM 0 H TRP A 118 14.203 -0.929 4.004 1.00 0.00 H new ATOM 0 HA TRP A 118 14.562 -2.449 1.487 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.514 -0.874 3.211 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.004 -1.920 1.894 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.373 1.476 2.573 1.00 0.00 H new ATOM 0 HE1 TRP A 118 15.213 2.830 0.376 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.765 -2.212 -0.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.630 2.341 -2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.858 -1.691 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.301 0.559 -3.910 1.00 0.00 H new ATOM 1588 N SER A 119 15.569 -4.462 2.568 1.00 0.00 N ATOM 1589 CA SER A 119 15.888 -5.722 3.224 1.00 0.00 C ATOM 1590 C SER A 119 17.179 -6.320 2.676 1.00 0.00 C ATOM 1591 O SER A 119 17.500 -6.166 1.497 1.00 0.00 O ATOM 1592 CB SER A 119 14.740 -6.716 3.044 1.00 0.00 C ATOM 1593 OG SER A 119 13.805 -6.249 2.088 1.00 0.00 O ATOM 0 H SER A 119 15.597 -4.497 1.549 1.00 0.00 H new ATOM 0 HA SER A 119 16.029 -5.520 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.137 -7.681 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.239 -6.875 3.999 1.00 0.00 H new ATOM 0 HG SER A 119 13.082 -6.904 1.990 1.00 0.00 H new ATOM 1599 N ASP A 120 17.910 -7.010 3.544 1.00 0.00 N ATOM 1600 CA ASP A 120 19.158 -7.660 3.161 1.00 0.00 C ATOM 1601 C ASP A 120 20.278 -6.653 2.892 1.00 0.00 C ATOM 1602 O ASP A 120 21.026 -6.799 1.925 1.00 0.00 O ATOM 1603 CB ASP A 120 18.938 -8.524 1.921 1.00 0.00 C ATOM 1604 CG ASP A 120 19.613 -9.877 2.030 1.00 0.00 C ATOM 1605 OD1 ASP A 120 19.625 -10.618 1.025 1.00 0.00 O ATOM 1606 OD2 ASP A 120 20.130 -10.196 3.122 1.00 0.00 O ATOM 0 H ASP A 120 17.658 -7.134 4.524 1.00 0.00 H new ATOM 0 HA ASP A 120 19.468 -8.283 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.868 -8.666 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.320 -8.000 1.045 1.00 0.00 H new ATOM 1611 N PRO A 121 20.440 -5.638 3.760 1.00 0.00 N ATOM 1612 CA PRO A 121 21.510 -4.649 3.613 1.00 0.00 C ATOM 1613 C PRO A 121 22.868 -5.245 3.975 1.00 0.00 C ATOM 1614 O PRO A 121 22.985 -5.984 4.953 1.00 0.00 O ATOM 1615 CB PRO A 121 21.118 -3.552 4.601 1.00 0.00 C ATOM 1616 CG PRO A 121 20.331 -4.258 5.652 1.00 0.00 C ATOM 1617 CD PRO A 121 19.616 -5.387 4.956 1.00 0.00 C ATOM 0 HA PRO A 121 21.612 -4.288 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 121 21.997 -3.066 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.526 -2.775 4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 121 20.984 -4.637 6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 121 19.620 -3.581 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.551 -6.271 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.596 -5.111 4.689 1.00 0.00 H new ATOM 1625 N PRO A 122 23.911 -4.955 3.182 1.00 0.00 N ATOM 1626 CA PRO A 122 25.241 -5.508 3.405 1.00 0.00 C ATOM 1627 C PRO A 122 26.107 -4.665 4.318 1.00 0.00 C ATOM 1628 O PRO A 122 25.680 -3.642 4.853 1.00 0.00 O ATOM 1629 CB PRO A 122 25.848 -5.505 2.007 1.00 0.00 C ATOM 1630 CG PRO A 122 25.195 -4.359 1.303 1.00 0.00 C ATOM 1631 CD PRO A 122 23.868 -4.108 1.979 1.00 0.00 C ATOM 0 HA PRO A 122 25.181 -6.482 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 122 26.930 -5.379 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 122 25.656 -6.446 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.824 -3.470 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.050 -4.590 0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.745 -3.056 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.034 -4.378 1.331 1.00 0.00 H new ATOM 1639 N THR A 123 27.345 -5.105 4.452 1.00 0.00 N ATOM 1640 CA THR A 123 28.355 -4.381 5.205 1.00 0.00 C ATOM 1641 C THR A 123 29.540 -4.150 4.313 1.00 0.00 C ATOM 1642 O THR A 123 29.426 -4.223 3.090 1.00 0.00 O ATOM 1643 CB THR A 123 28.769 -5.143 6.467 1.00 0.00 C ATOM 1644 OG1 THR A 123 27.978 -6.307 6.631 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.648 -4.320 7.731 1.00 0.00 C ATOM 0 H THR A 123 27.680 -5.976 4.041 1.00 0.00 H new ATOM 0 HA THR A 123 27.942 -3.427 5.532 1.00 0.00 H new ATOM 0 HB THR A 123 29.819 -5.397 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.258 -6.781 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 123 28.957 -4.920 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.287 -3.440 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.613 -4.006 7.863 1.00 0.00 H new ATOM 1653 N CYS A 124 30.666 -3.835 4.901 1.00 0.00 N ATOM 1654 CA CYS A 124 31.817 -3.526 4.103 1.00 0.00 C ATOM 1655 C CYS A 124 33.066 -3.412 4.957 1.00 0.00 C ATOM 1656 O CYS A 124 33.374 -2.354 5.506 1.00 0.00 O ATOM 1657 CB CYS A 124 31.531 -2.241 3.346 1.00 0.00 C ATOM 1658 SG CYS A 124 32.549 -2.017 1.862 1.00 0.00 S ATOM 0 H CYS A 124 30.807 -3.787 5.910 1.00 0.00 H new ATOM 0 HA CYS A 124 32.008 -4.332 3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.480 -2.227 3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 124 31.690 -1.395 4.014 1.00 0.00 H new ATOM 1663 N GLN A 125 33.766 -4.529 5.073 1.00 0.00 N ATOM 1664 CA GLN A 125 34.976 -4.600 5.873 1.00 0.00 C ATOM 1665 C GLN A 125 36.176 -4.968 5.015 1.00 0.00 C ATOM 1666 O GLN A 125 36.046 -5.234 3.821 1.00 0.00 O ATOM 1667 CB GLN A 125 34.804 -5.631 6.988 1.00 0.00 C ATOM 1668 CG GLN A 125 34.044 -5.099 8.189 1.00 0.00 C ATOM 1669 CD GLN A 125 33.296 -6.186 8.935 1.00 0.00 C ATOM 1670 OE1 GLN A 125 33.569 -7.374 8.762 1.00 0.00 O ATOM 1671 NE2 GLN A 125 32.346 -5.784 9.771 1.00 0.00 N ATOM 0 H GLN A 125 33.513 -5.406 4.618 1.00 0.00 H new ATOM 0 HA GLN A 125 35.153 -3.617 6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.279 -6.500 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.787 -5.973 7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.742 -4.612 8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.337 -4.338 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 125 32.153 -4.789 9.883 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.809 -6.470 10.301 1.00 0.00 H new ATOM 1680 N ILE A 126 37.344 -4.976 5.638 1.00 0.00 N ATOM 1681 CA ILE A 126 38.579 -5.314 4.944 1.00 0.00 C ATOM 1682 C ILE A 126 38.891 -6.801 5.097 1.00 0.00 C ATOM 1683 O ILE A 126 39.855 -7.181 5.762 1.00 0.00 O ATOM 1684 CB ILE A 126 39.761 -4.467 5.466 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.530 -2.993 5.129 1.00 0.00 C ATOM 1686 CG2 ILE A 126 41.087 -4.946 4.884 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.756 -2.658 3.670 1.00 0.00 C ATOM 0 H ILE A 126 37.464 -4.752 6.626 1.00 0.00 H new ATOM 0 HA ILE A 126 38.439 -5.090 3.886 1.00 0.00 H new ATOM 0 HB ILE A 126 39.815 -4.584 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.509 -2.723 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 126 40.194 -2.382 5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.898 -4.329 5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.254 -5.985 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 126 41.057 -4.866 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 126 39.573 -1.596 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.784 -2.895 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 126 39.073 -3.242 3.053 1.00 0.00 H new TER 1699 ILE A 126