USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 782 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 Single : A 1 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.021) USER MOD Single : A 1 GLN N :NH3+ 166:sc= 0 (180deg=-0.22) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= -5.68! (180deg=-8.27!) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= -0.422 (180deg=-1.99!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 15 THR OG1 : rot -41:sc= 0.877 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.962 K(o=-0.96,f=-2.2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 150:sc= -1.08 USER MOD Single : A 25 ASN : amide:sc=-0.00704 X(o=-0.007,f=-0.034) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.103 F(o=-0.79,f=-0.1) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 1:sc= 0.203 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.41) USER MOD Single : A 46 ASN :FLIP amide:sc= -7.78! C(o=-16!,f=-7.8!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 54 THR OG1 : rot 116:sc= 0.361 USER MOD Single : A 57 HIS :FLIP no HE2:sc= -5.58! C(o=-7.1!,f=-5.6!) USER MOD Single : A 60 GLN : amide:sc= -0.091 X(o=-0.091,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0228) USER MOD Single : A 64 TYR OH : rot 160:sc= 0.446 USER MOD Single : A 66 HIS : no HE2:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 67 MET CE :methyl -129:sc= 0 (180deg=-0.163) USER MOD Single : A 71 SER OG : rot 160:sc= -0.486 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -133:sc= -15! (180deg=-19.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -4.6! (180deg=-5.02!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -117:sc= -0.0112 (180deg=-0.481) USER MOD Single : A 90 MET CE :methyl 164:sc= -20.1! (180deg=-22.8!) USER MOD Single : A 92 SER OG : rot 120:sc= -1.51 USER MOD Single : A 94 THR OG1 : rot -46:sc= 0.26! USER MOD Single : A 99 ASN : amide:sc= -19.5! C(o=-19!,f=-24!) USER MOD Single : A 105 SER OG : rot -160:sc= -0.742 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.436 -3.501 -4.112 1.00 0.00 N ATOM 2 CA GLN A 1 3.631 -3.577 -4.926 1.00 0.00 C ATOM 3 C GLN A 1 4.775 -4.164 -4.111 1.00 0.00 C ATOM 4 O GLN A 1 5.886 -3.639 -4.127 1.00 0.00 O ATOM 5 CB GLN A 1 3.989 -2.183 -5.433 1.00 0.00 C ATOM 6 CG GLN A 1 4.337 -1.284 -4.249 1.00 0.00 C ATOM 7 CD GLN A 1 3.195 -0.327 -3.941 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.881 0.547 -4.746 1.00 0.00 O ATOM 9 NE2 GLN A 1 2.574 -0.492 -2.771 1.00 0.00 N ATOM 0 H1 GLN A 1 1.735 -2.893 -4.581 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.040 -4.454 -3.987 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.674 -3.101 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 1 3.451 -4.227 -5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.833 -2.240 -6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.152 -1.761 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.550 -1.896 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 1 5.242 -0.718 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.871 -1.233 -2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.802 0.122 -2.512 1.00 0.00 H new ATOM 20 N LEU A 2 4.501 -5.259 -3.399 1.00 0.00 N ATOM 21 CA LEU A 2 5.504 -5.913 -2.583 1.00 0.00 C ATOM 22 C LEU A 2 6.072 -4.926 -1.573 1.00 0.00 C ATOM 23 O LEU A 2 5.795 -3.731 -1.645 1.00 0.00 O ATOM 24 CB LEU A 2 6.609 -6.463 -3.480 1.00 0.00 C ATOM 25 CG LEU A 2 6.074 -6.632 -4.899 1.00 0.00 C ATOM 26 CD1 LEU A 2 7.065 -7.450 -5.723 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.731 -7.356 -4.854 1.00 0.00 C ATOM 0 H LEU A 2 3.585 -5.707 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 2 5.051 -6.740 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.463 -5.786 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.961 -7.420 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 2 5.943 -5.651 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.683 -7.571 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.024 -6.934 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.196 -8.431 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.349 -7.477 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.861 -8.337 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.023 -6.772 -4.266 1.00 0.00 H new ATOM 39 N PRO A 3 6.869 -5.429 -0.627 1.00 0.00 N ATOM 40 CA PRO A 3 7.499 -4.645 0.413 1.00 0.00 C ATOM 41 C PRO A 3 8.619 -3.809 -0.187 1.00 0.00 C ATOM 42 O PRO A 3 8.363 -2.807 -0.850 1.00 0.00 O ATOM 43 CB PRO A 3 8.049 -5.672 1.400 1.00 0.00 C ATOM 44 CG PRO A 3 8.354 -6.872 0.504 1.00 0.00 C ATOM 45 CD PRO A 3 7.215 -6.830 -0.512 1.00 0.00 C ATOM 0 HA PRO A 3 6.811 -3.953 0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.943 -5.308 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.322 -5.919 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.328 -6.782 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.361 -7.806 1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.527 -7.240 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.363 -7.421 -0.175 1.00 0.00 H new ATOM 53 N ARG A 4 9.867 -4.224 0.049 1.00 0.00 N ATOM 54 CA ARG A 4 11.019 -3.511 -0.465 1.00 0.00 C ATOM 55 C ARG A 4 11.368 -4.029 -1.854 1.00 0.00 C ATOM 56 O ARG A 4 11.396 -5.237 -2.080 1.00 0.00 O ATOM 57 CB ARG A 4 12.196 -3.693 0.490 1.00 0.00 C ATOM 58 CG ARG A 4 12.555 -2.348 1.115 1.00 0.00 C ATOM 59 CD ARG A 4 13.640 -1.673 0.282 1.00 0.00 C ATOM 60 NE ARG A 4 13.202 -1.487 -1.101 1.00 0.00 N ATOM 61 CZ ARG A 4 12.062 -0.859 -1.422 1.00 0.00 C ATOM 62 NH1 ARG A 4 11.273 -0.369 -0.458 1.00 0.00 N ATOM 63 NH2 ARG A 4 11.713 -0.721 -2.709 1.00 0.00 N ATOM 0 H ARG A 4 10.096 -5.054 0.596 1.00 0.00 H new ATOM 0 HA ARG A 4 10.790 -2.448 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.939 -4.411 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.054 -4.098 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.672 -1.711 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.904 -2.492 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.891 -0.707 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.547 -2.278 0.301 1.00 0.00 H new ATOM 0 HE ARG A 4 13.788 -1.850 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.539 -0.473 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.406 0.109 -0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.315 -1.094 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.846 -0.243 -2.954 1.00 0.00 H new ATOM 77 N LEU A 5 11.635 -3.110 -2.784 1.00 0.00 N ATOM 78 CA LEU A 5 11.981 -3.476 -4.144 1.00 0.00 C ATOM 79 C LEU A 5 13.177 -2.658 -4.611 1.00 0.00 C ATOM 80 O LEU A 5 13.129 -1.430 -4.614 1.00 0.00 O ATOM 81 CB LEU A 5 10.778 -3.244 -5.054 1.00 0.00 C ATOM 82 CG LEU A 5 9.994 -4.545 -5.202 1.00 0.00 C ATOM 83 CD1 LEU A 5 8.821 -4.326 -6.153 1.00 0.00 C ATOM 84 CD2 LEU A 5 10.910 -5.628 -5.764 1.00 0.00 C ATOM 0 H LEU A 5 11.616 -2.105 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 5 12.251 -4.531 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.138 -2.466 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.110 -2.894 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 5 9.618 -4.857 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.260 -5.255 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.167 -3.551 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.196 -4.015 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.351 -6.558 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.286 -5.317 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.748 -5.784 -5.085 1.00 0.00 H new ATOM 96 N CYS A 6 14.251 -3.343 -5.008 1.00 0.00 N ATOM 97 CA CYS A 6 15.452 -2.681 -5.475 1.00 0.00 C ATOM 98 C CYS A 6 16.164 -3.562 -6.491 1.00 0.00 C ATOM 99 O CYS A 6 15.921 -4.766 -6.551 1.00 0.00 O ATOM 100 CB CYS A 6 16.362 -2.381 -4.287 1.00 0.00 C ATOM 101 SG CYS A 6 15.473 -2.053 -2.745 1.00 0.00 S ATOM 0 H CYS A 6 14.305 -4.362 -5.012 1.00 0.00 H new ATOM 0 HA CYS A 6 15.189 -1.741 -5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.034 -3.226 -4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.983 -1.518 -4.527 1.00 0.00 H new ATOM 106 N LYS A 7 17.046 -2.960 -7.292 1.00 0.00 N ATOM 107 CA LYS A 7 17.787 -3.693 -8.300 1.00 0.00 C ATOM 108 C LYS A 7 18.795 -4.616 -7.632 1.00 0.00 C ATOM 109 O LYS A 7 19.250 -4.346 -6.522 1.00 0.00 O ATOM 110 CB LYS A 7 18.489 -2.707 -9.229 1.00 0.00 C ATOM 111 CG LYS A 7 17.949 -1.301 -8.983 1.00 0.00 C ATOM 112 CD LYS A 7 16.536 -1.193 -9.548 1.00 0.00 C ATOM 113 CE LYS A 7 16.577 -1.386 -11.062 1.00 0.00 C ATOM 114 NZ LYS A 7 16.698 -0.095 -11.755 1.00 0.00 N ATOM 0 H LYS A 7 17.259 -1.963 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 7 17.102 -4.303 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.565 -2.730 -9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.328 -2.993 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.943 -1.084 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.598 -0.563 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.892 -1.945 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.110 -0.219 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.419 -2.026 -11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.672 -1.896 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.178 -0.134 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.301 0.658 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.701 0.105 -11.943 1.00 0.00 H new ATOM 128 N PHE A 8 19.145 -5.711 -8.312 1.00 0.00 N ATOM 129 CA PHE A 8 20.095 -6.666 -7.782 1.00 0.00 C ATOM 130 C PHE A 8 21.003 -7.165 -8.898 1.00 0.00 C ATOM 131 O PHE A 8 20.664 -8.117 -9.598 1.00 0.00 O ATOM 132 CB PHE A 8 19.342 -7.827 -7.138 1.00 0.00 C ATOM 133 CG PHE A 8 20.114 -8.505 -6.030 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.103 -9.446 -6.339 1.00 0.00 C ATOM 135 CD2 PHE A 8 19.840 -8.190 -4.693 1.00 0.00 C ATOM 136 CE1 PHE A 8 21.818 -10.072 -5.312 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.555 -8.816 -3.666 1.00 0.00 C ATOM 138 CZ PHE A 8 21.545 -9.758 -3.976 1.00 0.00 C ATOM 0 H PHE A 8 18.778 -5.950 -9.233 1.00 0.00 H new ATOM 0 HA PHE A 8 20.714 -6.186 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.396 -7.460 -6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.100 -8.563 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.314 -9.689 -7.370 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.077 -7.464 -4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.581 -10.798 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.344 -8.573 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.097 -10.242 -3.184 1.00 0.00 H new ATOM 148 N CYS A 9 22.159 -6.519 -9.062 1.00 0.00 N ATOM 149 CA CYS A 9 23.109 -6.897 -10.090 1.00 0.00 C ATOM 150 C CYS A 9 24.518 -6.891 -9.514 1.00 0.00 C ATOM 151 O CYS A 9 24.846 -6.053 -8.677 1.00 0.00 O ATOM 152 CB CYS A 9 22.999 -5.929 -11.264 1.00 0.00 C ATOM 153 SG CYS A 9 23.624 -4.268 -10.908 1.00 0.00 S ATOM 0 H CYS A 9 22.454 -5.728 -8.489 1.00 0.00 H new ATOM 0 HA CYS A 9 22.887 -7.903 -10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.547 -6.339 -12.112 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.954 -5.856 -11.565 1.00 0.00 H new ATOM 158 N ASP A 10 25.352 -7.830 -9.967 1.00 0.00 N ATOM 159 CA ASP A 10 26.719 -7.929 -9.496 1.00 0.00 C ATOM 160 C ASP A 10 27.530 -6.750 -10.017 1.00 0.00 C ATOM 161 O ASP A 10 27.074 -6.023 -10.896 1.00 0.00 O ATOM 162 CB ASP A 10 27.323 -9.250 -9.963 1.00 0.00 C ATOM 163 CG ASP A 10 26.263 -10.339 -10.030 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.793 -10.742 -8.943 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.940 -10.749 -11.166 1.00 0.00 O ATOM 0 H ASP A 10 25.095 -8.531 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 10 26.736 -7.903 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.778 -9.119 -10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.118 -9.552 -9.281 1.00 0.00 H new ATOM 170 N VAL A 11 28.735 -6.564 -9.471 1.00 0.00 N ATOM 171 CA VAL A 11 29.600 -5.477 -9.883 1.00 0.00 C ATOM 172 C VAL A 11 30.247 -5.812 -11.219 1.00 0.00 C ATOM 173 O VAL A 11 31.072 -6.720 -11.302 1.00 0.00 O ATOM 174 CB VAL A 11 30.661 -5.241 -8.812 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.778 -6.480 -7.929 1.00 0.00 C ATOM 176 CG2 VAL A 11 32.005 -4.964 -9.481 1.00 0.00 C ATOM 0 H VAL A 11 29.126 -7.159 -8.741 1.00 0.00 H new ATOM 0 HA VAL A 11 29.015 -4.565 -10.004 1.00 0.00 H new ATOM 0 HB VAL A 11 30.376 -4.385 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.536 -6.311 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.818 -6.678 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 11 31.063 -7.336 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.764 -4.795 -8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.290 -5.820 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.922 -4.079 -10.112 1.00 0.00 H new ATOM 186 N LYS A 12 29.870 -5.076 -12.267 1.00 0.00 N ATOM 187 CA LYS A 12 30.415 -5.298 -13.592 1.00 0.00 C ATOM 188 C LYS A 12 30.733 -3.964 -14.252 1.00 0.00 C ATOM 189 O LYS A 12 30.241 -2.922 -13.823 1.00 0.00 O ATOM 190 CB LYS A 12 29.413 -6.090 -14.426 1.00 0.00 C ATOM 191 CG LYS A 12 28.017 -5.932 -13.830 1.00 0.00 C ATOM 192 CD LYS A 12 26.971 -6.300 -14.877 1.00 0.00 C ATOM 193 CE LYS A 12 25.677 -5.543 -14.591 1.00 0.00 C ATOM 194 NZ LYS A 12 25.930 -4.101 -14.441 1.00 0.00 N ATOM 0 H LYS A 12 29.187 -4.321 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 12 31.339 -5.871 -13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.422 -5.736 -15.457 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.694 -7.143 -14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.910 -6.571 -12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.867 -4.905 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.336 -6.054 -15.874 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.788 -7.374 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 12 24.968 -5.709 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.218 -5.932 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.134 -3.565 -14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.029 -3.869 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.806 -3.848 -14.942 1.00 0.00 H new ATOM 208 N ALA A 13 31.558 -3.999 -15.301 1.00 0.00 N ATOM 209 CA ALA A 13 31.938 -2.796 -16.014 1.00 0.00 C ATOM 210 C ALA A 13 30.697 -1.977 -16.341 1.00 0.00 C ATOM 211 O ALA A 13 29.934 -2.331 -17.237 1.00 0.00 O ATOM 212 CB ALA A 13 32.685 -3.177 -17.289 1.00 0.00 C ATOM 0 H ALA A 13 31.972 -4.855 -15.670 1.00 0.00 H new ATOM 0 HA ALA A 13 32.595 -2.190 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.972 -2.273 -17.827 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.579 -3.745 -17.031 1.00 0.00 H new ATOM 0 HB3 ALA A 13 32.039 -3.786 -17.921 1.00 0.00 H new ATOM 218 N THR A 14 30.496 -0.878 -15.610 1.00 0.00 N ATOM 219 CA THR A 14 29.352 -0.017 -15.827 1.00 0.00 C ATOM 220 C THR A 14 29.704 1.072 -16.830 1.00 0.00 C ATOM 221 O THR A 14 30.878 1.312 -17.105 1.00 0.00 O ATOM 222 CB THR A 14 28.915 0.592 -14.498 1.00 0.00 C ATOM 223 OG1 THR A 14 27.713 1.306 -14.681 1.00 0.00 O ATOM 224 CG2 THR A 14 29.999 1.541 -13.993 1.00 0.00 C ATOM 0 H THR A 14 31.118 -0.571 -14.862 1.00 0.00 H new ATOM 0 HA THR A 14 28.526 -0.601 -16.233 1.00 0.00 H new ATOM 0 HB THR A 14 28.758 -0.202 -13.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.431 1.696 -13.827 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.688 1.977 -13.044 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.928 0.989 -13.852 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.156 2.335 -14.723 1.00 0.00 H new ATOM 232 N THR A 15 28.681 1.732 -17.377 1.00 0.00 N ATOM 233 CA THR A 15 28.889 2.791 -18.344 1.00 0.00 C ATOM 234 C THR A 15 28.347 4.104 -17.799 1.00 0.00 C ATOM 235 O THR A 15 28.224 5.082 -18.533 1.00 0.00 O ATOM 236 CB THR A 15 28.198 2.424 -19.655 1.00 0.00 C ATOM 237 OG1 THR A 15 28.485 3.404 -20.627 1.00 0.00 O ATOM 238 CG2 THR A 15 26.690 2.353 -19.433 1.00 0.00 C ATOM 0 H THR A 15 27.702 1.545 -17.161 1.00 0.00 H new ATOM 0 HA THR A 15 29.956 2.912 -18.531 1.00 0.00 H new ATOM 0 HB THR A 15 28.560 1.455 -19.998 1.00 0.00 H new ATOM 0 HG1 THR A 15 28.452 4.293 -20.215 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.196 2.091 -20.369 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.468 1.595 -18.681 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.327 3.322 -19.090 1.00 0.00 H new ATOM 246 N CYS A 16 28.024 4.124 -16.503 1.00 0.00 N ATOM 247 CA CYS A 16 27.499 5.313 -15.864 1.00 0.00 C ATOM 248 C CYS A 16 28.647 6.186 -15.376 1.00 0.00 C ATOM 249 O CYS A 16 29.637 5.678 -14.856 1.00 0.00 O ATOM 250 CB CYS A 16 26.595 4.909 -14.702 1.00 0.00 C ATOM 251 SG CYS A 16 24.983 5.732 -14.701 1.00 0.00 S ATOM 0 H CYS A 16 28.121 3.321 -15.881 1.00 0.00 H new ATOM 0 HA CYS A 16 26.912 5.887 -16.581 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.441 3.830 -14.734 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.105 5.131 -13.765 1.00 0.00 H new ATOM 256 N SER A 17 28.511 7.503 -15.546 1.00 0.00 N ATOM 257 CA SER A 17 29.535 8.437 -15.123 1.00 0.00 C ATOM 258 C SER A 17 29.065 9.195 -13.890 1.00 0.00 C ATOM 259 O SER A 17 27.889 9.140 -13.534 1.00 0.00 O ATOM 260 CB SER A 17 29.847 9.400 -16.264 1.00 0.00 C ATOM 261 OG SER A 17 30.721 8.777 -17.179 1.00 0.00 O ATOM 0 H SER A 17 27.696 7.940 -15.976 1.00 0.00 H new ATOM 0 HA SER A 17 30.444 7.893 -14.866 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.926 9.695 -16.767 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.302 10.310 -15.872 1.00 0.00 H new ATOM 0 HG SER A 17 30.920 9.395 -17.913 1.00 0.00 H new ATOM 267 N ASN A 18 29.988 9.905 -13.237 1.00 0.00 N ATOM 268 CA ASN A 18 29.663 10.671 -12.051 1.00 0.00 C ATOM 269 C ASN A 18 28.835 11.890 -12.431 1.00 0.00 C ATOM 270 O ASN A 18 29.297 13.023 -12.306 1.00 0.00 O ATOM 271 CB ASN A 18 30.952 11.090 -11.349 1.00 0.00 C ATOM 272 CG ASN A 18 31.892 11.796 -12.316 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.627 11.145 -13.056 1.00 0.00 O ATOM 274 ND2 ASN A 18 31.867 13.130 -12.310 1.00 0.00 N ATOM 0 H ASN A 18 30.967 9.960 -13.518 1.00 0.00 H new ATOM 0 HA ASN A 18 29.074 10.058 -11.369 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.718 11.751 -10.515 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.445 10.212 -10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 18 32.476 13.654 -12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 18 31.239 13.625 -11.677 1.00 0.00 H new ATOM 281 N GLN A 19 27.606 11.656 -12.897 1.00 0.00 N ATOM 282 CA GLN A 19 26.721 12.732 -13.293 1.00 0.00 C ATOM 283 C GLN A 19 25.683 12.973 -12.206 1.00 0.00 C ATOM 284 O GLN A 19 25.397 12.084 -11.409 1.00 0.00 O ATOM 285 CB GLN A 19 26.047 12.374 -14.615 1.00 0.00 C ATOM 286 CG GLN A 19 27.027 11.602 -15.493 1.00 0.00 C ATOM 287 CD GLN A 19 26.300 10.908 -16.635 1.00 0.00 C ATOM 288 OE1 GLN A 19 25.334 10.183 -16.410 1.00 0.00 O ATOM 289 NE2 GLN A 19 26.770 11.130 -17.866 1.00 0.00 N ATOM 0 H GLN A 19 27.208 10.723 -13.006 1.00 0.00 H new ATOM 0 HA GLN A 19 27.295 13.649 -13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.156 11.773 -14.430 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.720 13.280 -15.126 1.00 0.00 H new ATOM 0 HG2 GLN A 19 27.777 12.284 -15.894 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.557 10.863 -14.891 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.576 11.741 -18.002 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.323 10.689 -18.670 1.00 0.00 H new ATOM 298 N ASP A 20 25.119 14.183 -12.177 1.00 0.00 N ATOM 299 CA ASP A 20 24.116 14.535 -11.190 1.00 0.00 C ATOM 300 C ASP A 20 23.116 13.398 -11.043 1.00 0.00 C ATOM 301 O ASP A 20 22.592 13.166 -9.956 1.00 0.00 O ATOM 302 CB ASP A 20 23.415 15.822 -11.616 1.00 0.00 C ATOM 303 CG ASP A 20 23.006 15.759 -13.081 1.00 0.00 C ATOM 304 OD1 ASP A 20 23.924 15.796 -13.928 1.00 0.00 O ATOM 305 OD2 ASP A 20 21.783 15.676 -13.326 1.00 0.00 O ATOM 0 H ASP A 20 25.346 14.932 -12.831 1.00 0.00 H new ATOM 0 HA ASP A 20 24.592 14.699 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 20 22.534 15.983 -10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 20 24.078 16.672 -11.456 1.00 0.00 H new ATOM 310 N GLN A 21 22.851 12.688 -12.143 1.00 0.00 N ATOM 311 CA GLN A 21 21.915 11.582 -12.130 1.00 0.00 C ATOM 312 C GLN A 21 22.436 10.453 -13.010 1.00 0.00 C ATOM 313 O GLN A 21 22.779 10.675 -14.169 1.00 0.00 O ATOM 314 CB GLN A 21 20.553 12.065 -12.621 1.00 0.00 C ATOM 315 CG GLN A 21 19.451 11.265 -11.931 1.00 0.00 C ATOM 316 CD GLN A 21 18.080 11.849 -12.245 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.451 12.460 -11.384 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.618 11.658 -13.484 1.00 0.00 N ATOM 0 H GLN A 21 23.278 12.867 -13.052 1.00 0.00 H new ATOM 0 HA GLN A 21 21.808 11.203 -11.114 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.434 13.127 -12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.481 11.946 -13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.492 10.226 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.614 11.268 -10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.178 11.144 -14.164 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.705 12.027 -13.750 1.00 0.00 H new ATOM 327 N CYS A 22 22.494 9.241 -12.455 1.00 0.00 N ATOM 328 CA CYS A 22 22.971 8.086 -13.189 1.00 0.00 C ATOM 329 C CYS A 22 22.082 6.886 -12.895 1.00 0.00 C ATOM 330 O CYS A 22 21.302 6.906 -11.945 1.00 0.00 O ATOM 331 CB CYS A 22 24.417 7.797 -12.795 1.00 0.00 C ATOM 332 SG CYS A 22 25.560 7.725 -14.196 1.00 0.00 S ATOM 0 H CYS A 22 22.213 9.042 -11.495 1.00 0.00 H new ATOM 0 HA CYS A 22 22.933 8.288 -14.259 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.755 8.568 -12.102 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.454 6.848 -12.259 1.00 0.00 H new ATOM 337 N THR A 23 22.199 5.839 -13.714 1.00 0.00 N ATOM 338 CA THR A 23 21.406 4.640 -13.536 1.00 0.00 C ATOM 339 C THR A 23 22.306 3.474 -13.153 1.00 0.00 C ATOM 340 O THR A 23 23.514 3.519 -13.376 1.00 0.00 O ATOM 341 CB THR A 23 20.647 4.336 -14.825 1.00 0.00 C ATOM 342 OG1 THR A 23 19.937 5.484 -15.233 1.00 0.00 O ATOM 343 CG2 THR A 23 19.668 3.191 -14.582 1.00 0.00 C ATOM 0 H THR A 23 22.840 5.806 -14.507 1.00 0.00 H new ATOM 0 HA THR A 23 20.686 4.794 -12.733 1.00 0.00 H new ATOM 0 HB THR A 23 21.353 4.049 -15.604 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.451 5.291 -16.062 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.126 2.974 -15.503 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.217 2.304 -14.266 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.961 3.476 -13.803 1.00 0.00 H new ATOM 351 N SER A 24 21.712 2.428 -12.575 1.00 0.00 N ATOM 352 CA SER A 24 22.461 1.256 -12.165 1.00 0.00 C ATOM 353 C SER A 24 22.690 0.345 -13.363 1.00 0.00 C ATOM 354 O SER A 24 23.622 -0.457 -13.367 1.00 0.00 O ATOM 355 CB SER A 24 21.696 0.524 -11.066 1.00 0.00 C ATOM 356 OG SER A 24 20.370 0.297 -11.488 1.00 0.00 O ATOM 0 H SER A 24 20.712 2.376 -12.383 1.00 0.00 H new ATOM 0 HA SER A 24 23.432 1.558 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.184 -0.424 -10.838 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.701 1.114 -10.149 1.00 0.00 H new ATOM 0 HG SER A 24 20.030 -0.523 -11.073 1.00 0.00 H new ATOM 362 N ASN A 25 21.837 0.471 -14.381 1.00 0.00 N ATOM 363 CA ASN A 25 21.951 -0.338 -15.578 1.00 0.00 C ATOM 364 C ASN A 25 21.543 -1.773 -15.275 1.00 0.00 C ATOM 365 O ASN A 25 21.468 -2.604 -16.176 1.00 0.00 O ATOM 366 CB ASN A 25 23.387 -0.282 -16.092 1.00 0.00 C ATOM 367 CG ASN A 25 23.461 -0.727 -17.546 1.00 0.00 C ATOM 368 OD1 ASN A 25 22.866 -0.101 -18.420 1.00 0.00 O ATOM 369 ND2 ASN A 25 24.195 -1.812 -17.803 1.00 0.00 N ATOM 0 H ASN A 25 21.059 1.131 -14.392 1.00 0.00 H new ATOM 0 HA ASN A 25 21.286 0.051 -16.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.772 0.734 -15.998 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.022 -0.921 -15.479 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.280 -2.155 -18.760 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.671 -2.298 -17.043 1.00 0.00 H new ATOM 376 N CYS A 26 21.278 -2.060 -13.998 1.00 0.00 N ATOM 377 CA CYS A 26 20.879 -3.389 -13.579 1.00 0.00 C ATOM 378 C CYS A 26 19.514 -3.723 -14.162 1.00 0.00 C ATOM 379 O CYS A 26 18.663 -2.847 -14.299 1.00 0.00 O ATOM 380 CB CYS A 26 20.847 -3.453 -12.055 1.00 0.00 C ATOM 381 SG CYS A 26 22.371 -2.880 -11.263 1.00 0.00 S ATOM 0 H CYS A 26 21.335 -1.380 -13.240 1.00 0.00 H new ATOM 0 HA CYS A 26 21.598 -4.122 -13.944 1.00 0.00 H new ATOM 0 HB2 CYS A 26 20.013 -2.851 -11.694 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.655 -4.481 -11.749 1.00 0.00 H new ATOM 386 N ASN A 27 19.305 -4.996 -14.507 1.00 0.00 N ATOM 387 CA ASN A 27 18.046 -5.437 -15.072 1.00 0.00 C ATOM 388 C ASN A 27 17.444 -6.534 -14.205 1.00 0.00 C ATOM 389 O ASN A 27 16.910 -7.514 -14.719 1.00 0.00 O ATOM 390 CB ASN A 27 18.276 -5.938 -16.495 1.00 0.00 C ATOM 391 CG ASN A 27 19.320 -7.046 -16.518 1.00 0.00 C ATOM 392 OD1 ASN A 27 20.597 -6.668 -16.436 1.00 0.00 O flip ATOM 393 ND2 ASN A 27 18.976 -8.222 -16.611 1.00 0.00 N flip ATOM 0 H ASN A 27 20.000 -5.735 -14.401 1.00 0.00 H new ATOM 0 HA ASN A 27 17.346 -4.602 -15.102 1.00 0.00 H new ATOM 0 HB2 ASN A 27 17.339 -6.307 -16.911 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.602 -5.112 -17.127 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.986 -8.461 -16.671 1.00 0.00 H new ATOM 0 HD22 ASN A 27 19.680 -8.960 -16.628 1.00 0.00 H new ATOM 400 N ILE A 28 17.532 -6.365 -12.883 1.00 0.00 N ATOM 401 CA ILE A 28 16.996 -7.336 -11.949 1.00 0.00 C ATOM 402 C ILE A 28 16.165 -6.627 -10.891 1.00 0.00 C ATOM 403 O ILE A 28 16.468 -5.498 -10.512 1.00 0.00 O ATOM 404 CB ILE A 28 18.144 -8.110 -11.308 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.954 -8.813 -12.393 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.580 -9.148 -10.341 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.084 -9.611 -11.748 1.00 0.00 C ATOM 0 H ILE A 28 17.973 -5.558 -12.442 1.00 0.00 H new ATOM 0 HA ILE A 28 16.352 -8.039 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 28 18.789 -7.419 -10.765 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.310 -9.476 -12.971 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.363 -8.080 -13.089 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.400 -9.701 -9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.002 -8.646 -9.565 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.935 -9.839 -10.884 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.663 -10.113 -12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.733 -8.936 -11.190 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.664 -10.354 -11.070 1.00 0.00 H new ATOM 419 N THR A 29 15.111 -7.292 -10.411 1.00 0.00 N ATOM 420 CA THR A 29 14.245 -6.720 -9.400 1.00 0.00 C ATOM 421 C THR A 29 14.199 -7.631 -8.181 1.00 0.00 C ATOM 422 O THR A 29 13.514 -8.651 -8.190 1.00 0.00 O ATOM 423 CB THR A 29 12.848 -6.523 -9.981 1.00 0.00 C ATOM 424 OG1 THR A 29 12.892 -5.535 -10.986 1.00 0.00 O ATOM 425 CG2 THR A 29 11.895 -6.080 -8.874 1.00 0.00 C ATOM 0 H THR A 29 14.844 -8.229 -10.713 1.00 0.00 H new ATOM 0 HA THR A 29 14.635 -5.751 -9.088 1.00 0.00 H new ATOM 0 HB THR A 29 12.497 -7.462 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.995 -5.409 -11.361 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.897 -5.939 -9.288 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.861 -6.843 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.246 -5.141 -8.446 1.00 0.00 H new ATOM 433 N SER A 30 14.932 -7.257 -7.130 1.00 0.00 N ATOM 434 CA SER A 30 14.970 -8.039 -5.910 1.00 0.00 C ATOM 435 C SER A 30 14.020 -7.441 -4.883 1.00 0.00 C ATOM 436 O SER A 30 14.085 -6.247 -4.594 1.00 0.00 O ATOM 437 CB SER A 30 16.398 -8.071 -5.373 1.00 0.00 C ATOM 438 OG SER A 30 16.871 -6.751 -5.219 1.00 0.00 O ATOM 0 H SER A 30 15.506 -6.414 -7.108 1.00 0.00 H new ATOM 0 HA SER A 30 14.650 -9.060 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.427 -8.593 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.043 -8.623 -6.057 1.00 0.00 H new ATOM 0 HG SER A 30 16.168 -6.119 -5.478 1.00 0.00 H new ATOM 444 N ILE A 31 13.135 -8.274 -4.331 1.00 0.00 N ATOM 445 CA ILE A 31 12.179 -7.828 -3.338 1.00 0.00 C ATOM 446 C ILE A 31 12.681 -8.180 -1.944 1.00 0.00 C ATOM 447 O ILE A 31 12.822 -9.354 -1.613 1.00 0.00 O ATOM 448 CB ILE A 31 10.825 -8.481 -3.607 1.00 0.00 C ATOM 449 CG1 ILE A 31 10.714 -8.831 -5.088 1.00 0.00 C ATOM 450 CG2 ILE A 31 9.709 -7.512 -3.228 1.00 0.00 C ATOM 451 CD1 ILE A 31 11.159 -10.274 -5.306 1.00 0.00 C ATOM 0 H ILE A 31 13.068 -9.265 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 31 12.064 -6.746 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 31 10.735 -9.390 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.686 -8.701 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.332 -8.156 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.742 -7.977 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.788 -7.262 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.799 -6.603 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.079 -10.523 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 31 12.194 -10.388 -4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.522 -10.943 -4.727 1.00 0.00 H new ATOM 463 N CYS A 32 12.950 -7.158 -1.129 1.00 0.00 N ATOM 464 CA CYS A 32 13.434 -7.363 0.221 1.00 0.00 C ATOM 465 C CYS A 32 12.255 -7.517 1.172 1.00 0.00 C ATOM 466 O CYS A 32 11.827 -6.551 1.798 1.00 0.00 O ATOM 467 CB CYS A 32 14.308 -6.182 0.633 1.00 0.00 C ATOM 468 SG CYS A 32 15.288 -5.487 -0.721 1.00 0.00 S ATOM 0 H CYS A 32 12.837 -6.178 -1.390 1.00 0.00 H new ATOM 0 HA CYS A 32 14.033 -8.273 0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.672 -5.399 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.981 -6.501 1.429 1.00 0.00 H new ATOM 473 N GLU A 33 11.729 -8.741 1.279 1.00 0.00 N ATOM 474 CA GLU A 33 10.606 -9.013 2.153 1.00 0.00 C ATOM 475 C GLU A 33 11.065 -9.018 3.604 1.00 0.00 C ATOM 476 O GLU A 33 10.252 -9.142 4.517 1.00 0.00 O ATOM 477 CB GLU A 33 9.986 -10.356 1.777 1.00 0.00 C ATOM 478 CG GLU A 33 10.832 -11.487 2.356 1.00 0.00 C ATOM 479 CD GLU A 33 10.250 -12.844 1.989 1.00 0.00 C ATOM 480 OE1 GLU A 33 9.924 -13.017 0.794 1.00 0.00 O ATOM 481 OE2 GLU A 33 10.140 -13.682 2.910 1.00 0.00 O ATOM 0 H GLU A 33 12.070 -9.554 0.766 1.00 0.00 H new ATOM 0 HA GLU A 33 9.854 -8.233 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.967 -10.418 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.927 -10.450 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.853 -11.411 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.883 -11.390 3.440 1.00 0.00 H new ATOM 488 N LYS A 34 12.377 -8.881 3.815 1.00 0.00 N ATOM 489 CA LYS A 34 12.937 -8.870 5.152 1.00 0.00 C ATOM 490 C LYS A 34 12.671 -7.526 5.814 1.00 0.00 C ATOM 491 O LYS A 34 12.868 -7.371 7.017 1.00 0.00 O ATOM 492 CB LYS A 34 14.436 -9.146 5.076 1.00 0.00 C ATOM 493 CG LYS A 34 14.676 -10.654 5.090 1.00 0.00 C ATOM 494 CD LYS A 34 14.699 -11.179 3.658 1.00 0.00 C ATOM 495 CE LYS A 34 14.577 -12.700 3.672 1.00 0.00 C ATOM 496 NZ LYS A 34 15.900 -13.335 3.778 1.00 0.00 N ATOM 0 H LYS A 34 13.065 -8.777 3.070 1.00 0.00 H new ATOM 0 HA LYS A 34 12.466 -9.648 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.852 -8.709 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.946 -8.678 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.620 -10.878 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.891 -11.153 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.880 -10.743 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.625 -10.882 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.953 -13.010 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.080 -13.037 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.789 -14.369 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.485 -13.055 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.362 -13.030 4.658 1.00 0.00 H new ATOM 510 N ASN A 35 12.218 -6.550 5.023 1.00 0.00 N ATOM 511 CA ASN A 35 11.927 -5.226 5.535 1.00 0.00 C ATOM 512 C ASN A 35 13.207 -4.566 6.027 1.00 0.00 C ATOM 513 O ASN A 35 13.423 -3.376 5.806 1.00 0.00 O ATOM 514 CB ASN A 35 10.905 -5.333 6.663 1.00 0.00 C ATOM 515 CG ASN A 35 10.018 -4.096 6.711 1.00 0.00 C ATOM 516 OD1 ASN A 35 9.639 -3.562 5.672 1.00 0.00 O ATOM 517 ND2 ASN A 35 9.686 -3.644 7.923 1.00 0.00 N ATOM 0 H ASN A 35 12.047 -6.661 4.024 1.00 0.00 H new ATOM 0 HA ASN A 35 11.510 -4.609 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.290 -6.221 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.420 -5.453 7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.092 -2.820 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.026 -4.123 8.757 1.00 0.00 H new ATOM 524 N ASN A 36 14.059 -5.345 6.698 1.00 0.00 N ATOM 525 CA ASN A 36 15.312 -4.835 7.218 1.00 0.00 C ATOM 526 C ASN A 36 16.347 -4.770 6.103 1.00 0.00 C ATOM 527 O ASN A 36 17.547 -4.752 6.366 1.00 0.00 O ATOM 528 CB ASN A 36 15.794 -5.735 8.352 1.00 0.00 C ATOM 529 CG ASN A 36 15.234 -5.271 9.688 1.00 0.00 C ATOM 530 OD1 ASN A 36 15.311 -4.090 10.020 1.00 0.00 O ATOM 531 ND2 ASN A 36 14.668 -6.205 10.457 1.00 0.00 N ATOM 0 H ASN A 36 13.895 -6.333 6.890 1.00 0.00 H new ATOM 0 HA ASN A 36 15.165 -3.828 7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.486 -6.763 8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.883 -5.730 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.276 -5.950 11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.628 -7.173 10.138 1.00 0.00 H new ATOM 538 N GLU A 37 15.877 -4.735 4.854 1.00 0.00 N ATOM 539 CA GLU A 37 16.763 -4.671 3.709 1.00 0.00 C ATOM 540 C GLU A 37 16.448 -3.434 2.878 1.00 0.00 C ATOM 541 O GLU A 37 15.295 -3.197 2.525 1.00 0.00 O ATOM 542 CB GLU A 37 16.605 -5.938 2.875 1.00 0.00 C ATOM 543 CG GLU A 37 17.793 -6.864 3.125 1.00 0.00 C ATOM 544 CD GLU A 37 17.346 -8.144 3.815 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.935 -9.070 3.082 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.424 -8.175 5.062 1.00 0.00 O ATOM 0 H GLU A 37 14.885 -4.750 4.618 1.00 0.00 H new ATOM 0 HA GLU A 37 17.797 -4.601 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.675 -6.444 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.545 -5.684 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.277 -7.106 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.534 -6.354 3.740 1.00 0.00 H new ATOM 553 N VAL A 38 17.481 -2.647 2.564 1.00 0.00 N ATOM 554 CA VAL A 38 17.313 -1.443 1.778 1.00 0.00 C ATOM 555 C VAL A 38 18.073 -1.574 0.466 1.00 0.00 C ATOM 556 O VAL A 38 18.823 -2.529 0.274 1.00 0.00 O ATOM 557 CB VAL A 38 17.810 -0.242 2.575 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.942 -0.058 3.815 1.00 0.00 C ATOM 559 CG2 VAL A 38 19.258 -0.477 2.998 1.00 0.00 C ATOM 0 H VAL A 38 18.443 -2.832 2.848 1.00 0.00 H new ATOM 0 HA VAL A 38 16.257 -1.297 1.550 1.00 0.00 H new ATOM 0 HB VAL A 38 17.752 0.653 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.298 0.801 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.908 0.110 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.999 -0.953 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.614 0.381 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.316 -1.373 3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.879 -0.607 2.112 1.00 0.00 H new ATOM 569 N CYS A 39 17.882 -0.609 -0.437 1.00 0.00 N ATOM 570 CA CYS A 39 18.549 -0.621 -1.722 1.00 0.00 C ATOM 571 C CYS A 39 19.892 0.086 -1.611 1.00 0.00 C ATOM 572 O CYS A 39 19.957 1.239 -1.189 1.00 0.00 O ATOM 573 CB CYS A 39 17.664 0.062 -2.761 1.00 0.00 C ATOM 574 SG CYS A 39 15.893 -0.229 -2.523 1.00 0.00 S ATOM 0 H CYS A 39 17.266 0.191 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 39 18.726 -1.650 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.852 1.135 -2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.949 -0.288 -3.753 1.00 0.00 H new ATOM 579 N ALA A 40 20.968 -0.608 -1.991 1.00 0.00 N ATOM 580 CA ALA A 40 22.302 -0.046 -1.930 1.00 0.00 C ATOM 581 C ALA A 40 22.971 -0.159 -3.292 1.00 0.00 C ATOM 582 O ALA A 40 23.075 -1.252 -3.846 1.00 0.00 O ATOM 583 CB ALA A 40 23.113 -0.778 -0.866 1.00 0.00 C ATOM 0 H ALA A 40 20.931 -1.564 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 40 22.245 1.009 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.117 -0.356 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.627 -0.666 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.176 -1.836 -1.120 1.00 0.00 H new ATOM 589 N ALA A 41 23.426 0.974 -3.832 1.00 0.00 N ATOM 590 CA ALA A 41 24.080 0.997 -5.124 1.00 0.00 C ATOM 591 C ALA A 41 25.381 1.782 -5.030 1.00 0.00 C ATOM 592 O ALA A 41 25.371 2.968 -4.708 1.00 0.00 O ATOM 593 CB ALA A 41 23.146 1.622 -6.156 1.00 0.00 C ATOM 0 H ALA A 41 23.348 1.887 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 41 24.314 -0.021 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.638 1.639 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.231 1.033 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.901 2.641 -5.855 1.00 0.00 H new ATOM 599 N VAL A 42 26.503 1.115 -5.311 1.00 0.00 N ATOM 600 CA VAL A 42 27.804 1.752 -5.256 1.00 0.00 C ATOM 601 C VAL A 42 28.459 1.704 -6.629 1.00 0.00 C ATOM 602 O VAL A 42 28.718 0.626 -7.159 1.00 0.00 O ATOM 603 CB VAL A 42 28.671 1.044 -4.218 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.614 -0.463 -4.449 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.114 1.524 -4.349 1.00 0.00 C ATOM 0 H VAL A 42 26.528 0.131 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 42 27.691 2.796 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 42 28.300 1.272 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.233 -0.968 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.584 -0.807 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.984 -0.692 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.734 1.019 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.484 1.296 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.156 2.601 -4.184 1.00 0.00 H new ATOM 615 N TRP A 43 28.727 2.877 -7.206 1.00 0.00 N ATOM 616 CA TRP A 43 29.350 2.959 -8.511 1.00 0.00 C ATOM 617 C TRP A 43 30.796 3.412 -8.367 1.00 0.00 C ATOM 618 O TRP A 43 31.063 4.498 -7.860 1.00 0.00 O ATOM 619 CB TRP A 43 28.565 3.930 -9.388 1.00 0.00 C ATOM 620 CG TRP A 43 29.203 4.246 -10.704 1.00 0.00 C ATOM 621 CD1 TRP A 43 28.893 3.659 -11.881 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.255 5.212 -11.003 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.677 4.194 -12.882 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.536 5.158 -12.396 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.000 6.130 -10.242 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.502 5.967 -12.999 1.00 0.00 C ATOM 627 CZ3 TRP A 43 31.972 6.946 -10.838 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.226 6.868 -12.212 1.00 0.00 C ATOM 0 H TRP A 43 28.518 3.781 -6.782 1.00 0.00 H new ATOM 0 HA TRP A 43 29.344 1.976 -8.982 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.575 3.512 -9.571 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.422 4.860 -8.837 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.147 2.890 -12.017 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.628 3.912 -13.861 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.820 6.208 -9.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 31.688 5.897 -14.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.531 7.642 -10.230 1.00 0.00 H new ATOM 0 HH2 TRP A 43 32.977 7.500 -12.662 1.00 0.00 H new ATOM 639 N ARG A 44 31.732 2.571 -8.817 1.00 0.00 N ATOM 640 CA ARG A 44 33.143 2.885 -8.736 1.00 0.00 C ATOM 641 C ARG A 44 33.727 3.002 -10.137 1.00 0.00 C ATOM 642 O ARG A 44 33.230 2.378 -11.072 1.00 0.00 O ATOM 643 CB ARG A 44 33.861 1.797 -7.941 1.00 0.00 C ATOM 644 CG ARG A 44 32.873 1.127 -6.991 1.00 0.00 C ATOM 645 CD ARG A 44 32.414 -0.200 -7.588 1.00 0.00 C ATOM 646 NE ARG A 44 33.191 -1.316 -7.049 1.00 0.00 N ATOM 647 CZ ARG A 44 32.649 -2.509 -6.770 1.00 0.00 C ATOM 648 NH1 ARG A 44 31.344 -2.720 -6.985 1.00 0.00 N ATOM 649 NH2 ARG A 44 33.414 -3.493 -6.275 1.00 0.00 N ATOM 0 H ARG A 44 31.527 1.666 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 44 33.278 3.839 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.288 1.058 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.688 2.229 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.341 0.959 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.015 1.778 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.356 -0.352 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.519 -0.170 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 44 34.187 -1.180 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.762 -1.972 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.932 -3.629 -6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.408 -3.333 -6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.002 -4.401 -6.062 1.00 0.00 H new ATOM 663 N ARG A 45 34.785 3.803 -10.280 1.00 0.00 N ATOM 664 CA ARG A 45 35.429 3.998 -11.564 1.00 0.00 C ATOM 665 C ARG A 45 36.938 4.072 -11.377 1.00 0.00 C ATOM 666 O ARG A 45 37.453 5.055 -10.849 1.00 0.00 O ATOM 667 CB ARG A 45 34.901 5.276 -12.208 1.00 0.00 C ATOM 668 CG ARG A 45 35.195 6.464 -11.296 1.00 0.00 C ATOM 669 CD ARG A 45 36.248 7.357 -11.947 1.00 0.00 C ATOM 670 NE ARG A 45 37.163 6.571 -12.775 1.00 0.00 N ATOM 671 CZ ARG A 45 38.489 6.758 -12.769 1.00 0.00 C ATOM 672 NH1 ARG A 45 39.030 7.698 -11.980 1.00 0.00 N ATOM 673 NH2 ARG A 45 39.276 6.007 -13.551 1.00 0.00 N ATOM 0 H ARG A 45 35.209 4.326 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 45 35.204 3.157 -12.220 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.369 5.426 -13.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.828 5.193 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.282 7.032 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.549 6.113 -10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 45 35.759 8.115 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 45 36.811 7.883 -11.176 1.00 0.00 H new ATOM 0 HE ARG A 45 36.774 5.850 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 45 38.431 8.270 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 45 40.040 7.840 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 45 38.865 5.292 -14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 45 40.286 6.150 -13.546 1.00 0.00 H new ATOM 687 N ASN A 46 37.647 3.028 -11.812 1.00 0.00 N ATOM 688 CA ASN A 46 39.090 2.983 -11.692 1.00 0.00 C ATOM 689 C ASN A 46 39.729 3.103 -13.068 1.00 0.00 C ATOM 690 O ASN A 46 39.356 2.390 -13.996 1.00 0.00 O ATOM 691 CB ASN A 46 39.501 1.677 -11.018 1.00 0.00 C ATOM 692 CG ASN A 46 38.891 0.480 -11.735 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.431 0.146 -12.910 1.00 0.00 O flip ATOM 694 ND2 ASN A 46 37.949 -0.130 -11.234 1.00 0.00 N flip ATOM 0 H ASN A 46 37.236 2.204 -12.251 1.00 0.00 H new ATOM 0 HA ASN A 46 39.434 3.818 -11.081 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.588 1.590 -11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.180 1.684 -9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.572 0.165 -10.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.544 -0.931 -11.719 1.00 0.00 H new ATOM 701 N ASP A 47 40.699 4.013 -13.197 1.00 0.00 N ATOM 702 CA ASP A 47 41.386 4.224 -14.455 1.00 0.00 C ATOM 703 C ASP A 47 40.381 4.212 -15.599 1.00 0.00 C ATOM 704 O ASP A 47 39.713 5.212 -15.851 1.00 0.00 O ATOM 705 CB ASP A 47 42.438 3.136 -14.648 1.00 0.00 C ATOM 706 CG ASP A 47 43.842 3.723 -14.598 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.254 4.114 -13.485 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.476 3.770 -15.674 1.00 0.00 O ATOM 0 H ASP A 47 41.020 4.613 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 47 41.884 5.194 -14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.329 2.377 -13.873 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.281 2.639 -15.605 1.00 0.00 H new ATOM 713 N GLU A 48 40.275 3.076 -16.291 1.00 0.00 N ATOM 714 CA GLU A 48 39.353 2.942 -17.400 1.00 0.00 C ATOM 715 C GLU A 48 38.405 1.778 -17.151 1.00 0.00 C ATOM 716 O GLU A 48 37.751 1.295 -18.073 1.00 0.00 O ATOM 717 CB GLU A 48 40.139 2.733 -18.691 1.00 0.00 C ATOM 718 CG GLU A 48 39.312 3.223 -19.876 1.00 0.00 C ATOM 719 CD GLU A 48 40.145 3.242 -21.149 1.00 0.00 C ATOM 720 OE1 GLU A 48 41.147 3.989 -21.160 1.00 0.00 O ATOM 721 OE2 GLU A 48 39.764 2.510 -22.087 1.00 0.00 O ATOM 0 H GLU A 48 40.822 2.238 -16.095 1.00 0.00 H new ATOM 0 HA GLU A 48 38.759 3.851 -17.493 1.00 0.00 H new ATOM 0 HB2 GLU A 48 41.084 3.274 -18.645 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.381 1.678 -18.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 38.446 2.575 -20.013 1.00 0.00 H new ATOM 0 HG3 GLU A 48 38.932 4.224 -19.670 1.00 0.00 H new ATOM 728 N ASN A 49 38.331 1.325 -15.897 1.00 0.00 N ATOM 729 CA ASN A 49 37.465 0.223 -15.533 1.00 0.00 C ATOM 730 C ASN A 49 36.455 0.679 -14.490 1.00 0.00 C ATOM 731 O ASN A 49 36.764 0.730 -13.301 1.00 0.00 O ATOM 732 CB ASN A 49 38.310 -0.930 -14.998 1.00 0.00 C ATOM 733 CG ASN A 49 38.197 -2.150 -15.901 1.00 0.00 C ATOM 734 OD1 ASN A 49 38.709 -2.148 -17.018 1.00 0.00 O ATOM 735 ND2 ASN A 49 37.525 -3.196 -15.413 1.00 0.00 N ATOM 0 H ASN A 49 38.867 1.713 -15.120 1.00 0.00 H new ATOM 0 HA ASN A 49 36.918 -0.119 -16.412 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.353 -0.620 -14.927 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.985 -1.187 -13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 49 37.419 -4.041 -15.974 1.00 0.00 H new ATOM 0 HD22 ASN A 49 37.118 -3.150 -14.479 1.00 0.00 H new ATOM 742 N VAL A 50 35.242 1.012 -14.939 1.00 0.00 N ATOM 743 CA VAL A 50 34.193 1.462 -14.048 1.00 0.00 C ATOM 744 C VAL A 50 33.247 0.308 -13.742 1.00 0.00 C ATOM 745 O VAL A 50 32.633 -0.250 -14.647 1.00 0.00 O ATOM 746 CB VAL A 50 33.440 2.621 -14.692 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.322 3.083 -13.762 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.405 3.777 -14.942 1.00 0.00 C ATOM 0 H VAL A 50 34.971 0.975 -15.922 1.00 0.00 H new ATOM 0 HA VAL A 50 34.630 1.807 -13.111 1.00 0.00 H new ATOM 0 HB VAL A 50 33.011 2.294 -15.639 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.784 3.911 -14.223 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.633 2.258 -13.583 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.749 3.410 -12.814 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.868 4.606 -15.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.834 4.104 -13.995 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.203 3.447 -15.607 1.00 0.00 H new ATOM 758 N THR A 51 33.133 -0.049 -12.461 1.00 0.00 N ATOM 759 CA THR A 51 32.263 -1.132 -12.047 1.00 0.00 C ATOM 760 C THR A 51 31.137 -0.590 -11.178 1.00 0.00 C ATOM 761 O THR A 51 31.346 0.323 -10.383 1.00 0.00 O ATOM 762 CB THR A 51 33.078 -2.175 -11.288 1.00 0.00 C ATOM 763 OG1 THR A 51 33.013 -1.907 -9.905 1.00 0.00 O ATOM 764 CG2 THR A 51 34.532 -2.120 -11.749 1.00 0.00 C ATOM 0 H THR A 51 33.637 0.402 -11.697 1.00 0.00 H new ATOM 0 HA THR A 51 31.820 -1.603 -12.925 1.00 0.00 H new ATOM 0 HB THR A 51 32.672 -3.167 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.535 -2.578 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.114 -2.865 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.583 -2.327 -12.818 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.939 -1.128 -11.552 1.00 0.00 H new ATOM 772 N LEU A 52 29.939 -1.158 -11.333 1.00 0.00 N ATOM 773 CA LEU A 52 28.786 -0.732 -10.564 1.00 0.00 C ATOM 774 C LEU A 52 28.118 -1.940 -9.923 1.00 0.00 C ATOM 775 O LEU A 52 27.811 -2.917 -10.603 1.00 0.00 O ATOM 776 CB LEU A 52 27.810 0.004 -11.478 1.00 0.00 C ATOM 777 CG LEU A 52 26.487 0.210 -10.747 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.760 0.690 -9.325 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.655 1.255 -11.486 1.00 0.00 C ATOM 0 H LEU A 52 29.750 -1.916 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 52 29.103 -0.054 -9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.228 0.966 -11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.648 -0.568 -12.391 1.00 0.00 H new ATOM 0 HG LEU A 52 25.940 -0.732 -10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.815 0.837 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.354 -0.056 -8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 52 27.307 1.632 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.709 1.403 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.202 2.197 -11.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.459 0.912 -12.502 1.00 0.00 H new ATOM 791 N GLU A 53 27.892 -1.871 -8.609 1.00 0.00 N ATOM 792 CA GLU A 53 27.262 -2.958 -7.886 1.00 0.00 C ATOM 793 C GLU A 53 25.939 -2.489 -7.295 1.00 0.00 C ATOM 794 O GLU A 53 25.872 -1.430 -6.676 1.00 0.00 O ATOM 795 CB GLU A 53 28.201 -3.449 -6.788 1.00 0.00 C ATOM 796 CG GLU A 53 27.914 -4.918 -6.494 1.00 0.00 C ATOM 797 CD GLU A 53 28.742 -5.407 -5.314 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.742 -4.694 -4.287 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.358 -6.485 -5.461 1.00 0.00 O ATOM 0 H GLU A 53 28.140 -1.068 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 53 27.059 -3.783 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.238 -3.325 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.066 -2.853 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.854 -5.050 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.138 -5.520 -7.375 1.00 0.00 H new ATOM 806 N THR A 54 24.885 -3.284 -7.489 1.00 0.00 N ATOM 807 CA THR A 54 23.574 -2.948 -6.973 1.00 0.00 C ATOM 808 C THR A 54 22.948 -4.167 -6.311 1.00 0.00 C ATOM 809 O THR A 54 22.875 -5.236 -6.913 1.00 0.00 O ATOM 810 CB THR A 54 22.694 -2.442 -8.113 1.00 0.00 C ATOM 811 OG1 THR A 54 23.272 -1.284 -8.673 1.00 0.00 O ATOM 812 CG2 THR A 54 21.306 -2.109 -7.576 1.00 0.00 C ATOM 0 H THR A 54 24.923 -4.165 -8.002 1.00 0.00 H new ATOM 0 HA THR A 54 23.667 -2.162 -6.224 1.00 0.00 H new ATOM 0 HB THR A 54 22.611 -3.214 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.527 -1.462 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.678 -1.748 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.859 -3.004 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 54 21.387 -1.337 -6.811 1.00 0.00 H new ATOM 820 N ILE A 55 22.495 -4.003 -5.066 1.00 0.00 N ATOM 821 CA ILE A 55 21.878 -5.084 -4.325 1.00 0.00 C ATOM 822 C ILE A 55 21.258 -4.544 -3.044 1.00 0.00 C ATOM 823 O ILE A 55 21.581 -3.437 -2.616 1.00 0.00 O ATOM 824 CB ILE A 55 22.924 -6.150 -4.013 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.300 -5.499 -3.913 1.00 0.00 C ATOM 826 CG2 ILE A 55 22.934 -7.193 -5.127 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.244 -4.341 -2.922 1.00 0.00 C ATOM 0 H ILE A 55 22.549 -3.122 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 55 21.088 -5.535 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 55 22.681 -6.632 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.039 -6.233 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.616 -5.139 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.681 -7.955 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.951 -7.658 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.177 -6.711 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.227 -3.876 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.518 -3.604 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.947 -4.715 -1.942 1.00 0.00 H new ATOM 839 N CYS A 56 20.367 -5.327 -2.432 1.00 0.00 N ATOM 840 CA CYS A 56 19.708 -4.924 -1.205 1.00 0.00 C ATOM 841 C CYS A 56 20.650 -5.126 -0.027 1.00 0.00 C ATOM 842 O CYS A 56 20.642 -6.179 0.606 1.00 0.00 O ATOM 843 CB CYS A 56 18.431 -5.738 -1.023 1.00 0.00 C ATOM 844 SG CYS A 56 17.012 -4.765 -0.462 1.00 0.00 S ATOM 0 H CYS A 56 20.090 -6.247 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 56 19.444 -3.868 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.179 -6.216 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.620 -6.535 -0.303 1.00 0.00 H new ATOM 849 N HIS A 57 21.466 -4.111 0.269 1.00 0.00 N ATOM 850 CA HIS A 57 22.408 -4.186 1.368 1.00 0.00 C ATOM 851 C HIS A 57 22.062 -3.142 2.421 1.00 0.00 C ATOM 852 O HIS A 57 21.523 -2.085 2.099 1.00 0.00 O ATOM 853 CB HIS A 57 23.823 -3.970 0.839 1.00 0.00 C ATOM 854 CG HIS A 57 24.821 -3.722 1.936 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.234 -2.498 2.389 1.00 0.00 N flip ATOM 856 CD2 HIS A 57 25.484 -4.684 2.663 1.00 0.00 C flip ATOM 857 CE1 HIS A 57 26.164 -2.713 3.411 1.00 0.00 C flip ATOM 858 NE2 HIS A 57 26.280 -4.046 3.539 1.00 0.00 N flip ATOM 0 H HIS A 57 21.487 -3.229 -0.244 1.00 0.00 H new ATOM 0 HA HIS A 57 22.352 -5.171 1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.130 -4.845 0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.825 -3.123 0.153 1.00 0.00 H new ATOM 0 HD1 HIS A 57 24.920 -1.591 2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 57 25.384 -5.753 2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.685 -1.959 3.983 1.00 0.00 H new ATOM 866 N ASP A 58 22.374 -3.441 3.684 1.00 0.00 N ATOM 867 CA ASP A 58 22.095 -2.532 4.777 1.00 0.00 C ATOM 868 C ASP A 58 23.238 -1.539 4.925 1.00 0.00 C ATOM 869 O ASP A 58 24.404 -1.930 4.937 1.00 0.00 O ATOM 870 CB ASP A 58 21.900 -3.329 6.064 1.00 0.00 C ATOM 871 CG ASP A 58 20.431 -3.369 6.461 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.728 -2.389 6.133 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.039 -4.378 7.086 1.00 0.00 O ATOM 0 H ASP A 58 22.822 -4.312 3.967 1.00 0.00 H new ATOM 0 HA ASP A 58 21.181 -1.976 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.272 -4.345 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.486 -2.880 6.866 1.00 0.00 H new ATOM 878 N PRO A 59 22.904 -0.252 5.037 1.00 0.00 N ATOM 879 CA PRO A 59 23.855 0.828 5.186 1.00 0.00 C ATOM 880 C PRO A 59 24.456 0.790 6.585 1.00 0.00 C ATOM 881 O PRO A 59 24.821 1.826 7.135 1.00 0.00 O ATOM 882 CB PRO A 59 23.038 2.101 4.977 1.00 0.00 C ATOM 883 CG PRO A 59 21.651 1.699 5.473 1.00 0.00 C ATOM 884 CD PRO A 59 21.545 0.243 5.026 1.00 0.00 C ATOM 0 HA PRO A 59 24.684 0.763 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.443 2.939 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 59 23.021 2.403 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.563 1.798 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.868 2.316 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.910 -0.332 5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 59 21.105 0.166 4.032 1.00 0.00 H new ATOM 892 N GLN A 60 24.555 -0.411 7.161 1.00 0.00 N ATOM 893 CA GLN A 60 25.107 -0.578 8.490 1.00 0.00 C ATOM 894 C GLN A 60 26.553 -1.046 8.394 1.00 0.00 C ATOM 895 O GLN A 60 27.410 -0.583 9.143 1.00 0.00 O ATOM 896 CB GLN A 60 24.263 -1.583 9.267 1.00 0.00 C ATOM 897 CG GLN A 60 24.347 -1.274 10.759 1.00 0.00 C ATOM 898 CD GLN A 60 23.014 -1.535 11.444 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.564 -0.729 12.257 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.381 -2.663 11.114 1.00 0.00 N ATOM 0 H GLN A 60 24.256 -1.280 6.718 1.00 0.00 H new ATOM 0 HA GLN A 60 25.090 0.376 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.226 -1.538 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.616 -2.596 9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 60 25.122 -1.887 11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.637 -0.233 10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.795 -3.300 10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.483 -2.888 11.542 1.00 0.00 H new ATOM 909 N LYS A 61 26.821 -1.969 7.469 1.00 0.00 N ATOM 910 CA LYS A 61 28.159 -2.494 7.281 1.00 0.00 C ATOM 911 C LYS A 61 28.950 -1.578 6.360 1.00 0.00 C ATOM 912 O LYS A 61 28.373 -0.871 5.535 1.00 0.00 O ATOM 913 CB LYS A 61 28.074 -3.902 6.698 1.00 0.00 C ATOM 914 CG LYS A 61 26.939 -4.666 7.376 1.00 0.00 C ATOM 915 CD LYS A 61 25.674 -4.554 6.531 1.00 0.00 C ATOM 916 CE LYS A 61 24.482 -5.076 7.327 1.00 0.00 C ATOM 917 NZ LYS A 61 24.575 -6.532 7.523 1.00 0.00 N ATOM 0 H LYS A 61 26.122 -2.364 6.841 1.00 0.00 H new ATOM 0 HA LYS A 61 28.672 -2.541 8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.902 -3.852 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.018 -4.426 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.215 -5.713 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.760 -4.263 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.507 -3.516 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.788 -5.125 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 61 24.440 -4.577 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.557 -4.834 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.713 -6.875 7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.677 -7.001 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.402 -6.750 8.115 1.00 0.00 H new ATOM 931 N ARG A 62 30.278 -1.590 6.502 1.00 0.00 N ATOM 932 CA ARG A 62 31.142 -0.761 5.687 1.00 0.00 C ATOM 933 C ARG A 62 31.546 -1.518 4.429 1.00 0.00 C ATOM 934 O ARG A 62 32.258 -2.516 4.504 1.00 0.00 O ATOM 935 CB ARG A 62 32.373 -0.362 6.495 1.00 0.00 C ATOM 936 CG ARG A 62 32.144 1.006 7.131 1.00 0.00 C ATOM 937 CD ARG A 62 30.911 0.949 8.028 1.00 0.00 C ATOM 938 NE ARG A 62 31.173 1.582 9.321 1.00 0.00 N ATOM 939 CZ ARG A 62 30.289 2.386 9.927 1.00 0.00 C ATOM 940 NH1 ARG A 62 29.105 2.636 9.352 1.00 0.00 N ATOM 941 NH2 ARG A 62 30.587 2.938 11.112 1.00 0.00 N ATOM 0 H ARG A 62 30.771 -2.171 7.180 1.00 0.00 H new ATOM 0 HA ARG A 62 30.610 0.143 5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.571 -1.105 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 62 33.251 -0.332 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 62 33.018 1.299 7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 62 32.009 1.761 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.076 1.449 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.616 -0.089 8.181 1.00 0.00 H new ATOM 0 HE ARG A 62 32.066 1.404 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 62 28.876 2.214 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 62 28.433 3.248 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 62 31.487 2.746 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 62 29.914 3.550 11.573 1.00 0.00 H new ATOM 955 N LEU A 63 31.087 -1.038 3.270 1.00 0.00 N ATOM 956 CA LEU A 63 31.402 -1.669 2.004 1.00 0.00 C ATOM 957 C LEU A 63 32.511 -0.898 1.303 1.00 0.00 C ATOM 958 O LEU A 63 32.484 0.330 1.257 1.00 0.00 O ATOM 959 CB LEU A 63 30.147 -1.720 1.136 1.00 0.00 C ATOM 960 CG LEU A 63 30.505 -2.265 -0.243 1.00 0.00 C ATOM 961 CD1 LEU A 63 30.384 -3.787 -0.236 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.551 -1.683 -1.284 1.00 0.00 C ATOM 0 H LEU A 63 30.495 -0.211 3.192 1.00 0.00 H new ATOM 0 HA LEU A 63 31.750 -2.687 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.393 -2.353 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.715 -0.724 1.044 1.00 0.00 H new ATOM 0 HG LEU A 63 31.528 -1.983 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.640 -4.177 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 63 31.065 -4.203 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 63 29.361 -4.070 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.807 -2.072 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.527 -1.964 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.637 -0.596 -1.289 1.00 0.00 H new ATOM 974 N TYR A 64 33.489 -1.622 0.756 1.00 0.00 N ATOM 975 CA TYR A 64 34.601 -1.004 0.063 1.00 0.00 C ATOM 976 C TYR A 64 35.215 0.081 0.938 1.00 0.00 C ATOM 977 O TYR A 64 35.863 0.996 0.435 1.00 0.00 O ATOM 978 CB TYR A 64 34.113 -0.418 -1.259 1.00 0.00 C ATOM 979 CG TYR A 64 33.357 -1.409 -2.113 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.944 -2.635 -2.449 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.069 -1.100 -2.568 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.243 -3.552 -3.241 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.369 -2.017 -3.360 1.00 0.00 C ATOM 984 CZ TYR A 64 31.955 -3.243 -3.697 1.00 0.00 C ATOM 985 OH TYR A 64 31.272 -4.137 -4.468 1.00 0.00 O ATOM 0 H TYR A 64 33.526 -2.641 0.784 1.00 0.00 H new ATOM 0 HA TYR A 64 35.366 -1.752 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.470 0.438 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.970 -0.045 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.937 -2.873 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.616 -0.155 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.695 -4.498 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.376 -1.779 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 64 30.314 -3.933 -4.435 1.00 0.00 H new ATOM 995 N GLY A 65 35.011 -0.025 2.253 1.00 0.00 N ATOM 996 CA GLY A 65 35.546 0.946 3.187 1.00 0.00 C ATOM 997 C GLY A 65 34.651 2.176 3.239 1.00 0.00 C ATOM 998 O GLY A 65 35.077 3.241 3.679 1.00 0.00 O ATOM 0 H GLY A 65 34.477 -0.778 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.624 0.502 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.554 1.233 2.887 1.00 0.00 H new ATOM 1002 N HIS A 66 33.404 2.026 2.786 1.00 0.00 N ATOM 1003 CA HIS A 66 32.458 3.123 2.780 1.00 0.00 C ATOM 1004 C HIS A 66 31.255 2.777 3.647 1.00 0.00 C ATOM 1005 O HIS A 66 30.723 1.672 3.564 1.00 0.00 O ATOM 1006 CB HIS A 66 32.024 3.414 1.346 1.00 0.00 C ATOM 1007 CG HIS A 66 33.186 3.495 0.395 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.502 3.712 0.736 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.125 3.366 -0.966 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.216 3.713 -0.403 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.422 3.506 -1.468 1.00 0.00 N ATOM 0 H HIS A 66 33.034 1.149 2.419 1.00 0.00 H new ATOM 0 HA HIS A 66 32.931 4.015 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.340 2.634 1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.473 4.354 1.321 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.868 3.847 1.679 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.233 3.188 -1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.285 3.860 -0.456 1.00 0.00 H new ATOM 1019 N MET A 67 30.827 3.728 4.482 1.00 0.00 N ATOM 1020 CA MET A 67 29.692 3.517 5.359 1.00 0.00 C ATOM 1021 C MET A 67 28.539 4.416 4.938 1.00 0.00 C ATOM 1022 O MET A 67 28.595 5.630 5.118 1.00 0.00 O ATOM 1023 CB MET A 67 30.104 3.806 6.800 1.00 0.00 C ATOM 1024 CG MET A 67 30.611 5.242 6.905 1.00 0.00 C ATOM 1025 SD MET A 67 31.602 5.564 8.385 1.00 0.00 S ATOM 1026 CE MET A 67 33.133 4.729 7.895 1.00 0.00 C ATOM 0 H MET A 67 31.256 4.650 4.563 1.00 0.00 H new ATOM 0 HA MET A 67 29.362 2.481 5.289 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.256 3.658 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.882 3.110 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 67 31.209 5.471 6.023 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.757 5.920 6.897 1.00 0.00 H new ATOM 0 HE1 MET A 67 33.445 4.047 8.686 1.00 0.00 H new ATOM 0 HE2 MET A 67 32.963 4.166 6.977 1.00 0.00 H new ATOM 0 HE3 MET A 67 33.914 5.470 7.726 1.00 0.00 H new ATOM 1036 N LEU A 68 27.488 3.815 4.374 1.00 0.00 N ATOM 1037 CA LEU A 68 26.327 4.559 3.931 1.00 0.00 C ATOM 1038 C LEU A 68 25.587 5.128 5.134 1.00 0.00 C ATOM 1039 O LEU A 68 25.672 4.583 6.233 1.00 0.00 O ATOM 1040 CB LEU A 68 25.414 3.643 3.120 1.00 0.00 C ATOM 1041 CG LEU A 68 26.257 2.816 2.152 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.632 1.432 1.991 1.00 0.00 C ATOM 1043 CD2 LEU A 68 26.305 3.513 0.796 1.00 0.00 C ATOM 0 H LEU A 68 27.426 2.809 4.217 1.00 0.00 H new ATOM 0 HA LEU A 68 26.643 5.388 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.855 2.986 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.683 4.235 2.569 1.00 0.00 H new ATOM 0 HG LEU A 68 27.269 2.716 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.232 0.840 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.597 0.934 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.620 1.533 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.907 2.923 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.294 3.613 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.749 4.502 0.911 1.00 0.00 H new ATOM 1055 N ASP A 69 24.859 6.227 4.924 1.00 0.00 N ATOM 1056 CA ASP A 69 24.111 6.863 5.989 1.00 0.00 C ATOM 1057 C ASP A 69 23.008 7.728 5.397 1.00 0.00 C ATOM 1058 O ASP A 69 23.046 8.951 5.512 1.00 0.00 O ATOM 1059 CB ASP A 69 25.057 7.703 6.842 1.00 0.00 C ATOM 1060 CG ASP A 69 25.458 6.955 8.106 1.00 0.00 C ATOM 1061 OD1 ASP A 69 24.540 6.422 8.765 1.00 0.00 O ATOM 1062 OD2 ASP A 69 26.675 6.929 8.388 1.00 0.00 O ATOM 0 H ASP A 69 24.777 6.690 4.019 1.00 0.00 H new ATOM 0 HA ASP A 69 23.651 6.103 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 69 25.947 7.954 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.575 8.643 7.109 1.00 0.00 H new ATOM 1067 N ASP A 70 22.023 7.090 4.761 1.00 0.00 N ATOM 1068 CA ASP A 70 20.916 7.802 4.154 1.00 0.00 C ATOM 1069 C ASP A 70 19.966 6.813 3.496 1.00 0.00 C ATOM 1070 O ASP A 70 19.785 6.838 2.281 1.00 0.00 O ATOM 1071 CB ASP A 70 21.454 8.798 3.131 1.00 0.00 C ATOM 1072 CG ASP A 70 20.647 10.089 3.151 1.00 0.00 C ATOM 1073 OD1 ASP A 70 20.816 10.849 4.130 1.00 0.00 O ATOM 1074 OD2 ASP A 70 19.876 10.292 2.189 1.00 0.00 O ATOM 0 H ASP A 70 21.977 6.076 4.657 1.00 0.00 H new ATOM 0 HA ASP A 70 20.366 8.349 4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.500 9.016 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.417 8.357 2.135 1.00 0.00 H new ATOM 1079 N SER A 71 19.356 5.941 4.303 1.00 0.00 N ATOM 1080 CA SER A 71 18.427 4.951 3.794 1.00 0.00 C ATOM 1081 C SER A 71 16.998 5.395 4.067 1.00 0.00 C ATOM 1082 O SER A 71 16.051 4.672 3.763 1.00 0.00 O ATOM 1083 CB SER A 71 18.711 3.604 4.453 1.00 0.00 C ATOM 1084 OG SER A 71 19.275 3.815 5.728 1.00 0.00 O ATOM 0 H SER A 71 19.495 5.907 5.313 1.00 0.00 H new ATOM 0 HA SER A 71 18.553 4.848 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.789 3.029 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.393 3.021 3.834 1.00 0.00 H new ATOM 0 HG SER A 71 19.164 3.008 6.272 1.00 0.00 H new ATOM 1090 N SER A 72 16.843 6.591 4.640 1.00 0.00 N ATOM 1091 CA SER A 72 15.532 7.126 4.947 1.00 0.00 C ATOM 1092 C SER A 72 15.154 8.186 3.923 1.00 0.00 C ATOM 1093 O SER A 72 14.046 8.718 3.956 1.00 0.00 O ATOM 1094 CB SER A 72 15.540 7.713 6.356 1.00 0.00 C ATOM 1095 OG SER A 72 16.356 8.863 6.380 1.00 0.00 O ATOM 0 H SER A 72 17.618 7.202 4.898 1.00 0.00 H new ATOM 0 HA SER A 72 14.791 6.328 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.525 7.967 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.912 6.975 7.067 1.00 0.00 H new ATOM 0 HG SER A 72 16.361 9.242 7.284 1.00 0.00 H new ATOM 1101 N SER A 73 16.078 8.493 3.011 1.00 0.00 N ATOM 1102 CA SER A 73 15.837 9.484 1.982 1.00 0.00 C ATOM 1103 C SER A 73 15.285 8.810 0.734 1.00 0.00 C ATOM 1104 O SER A 73 15.698 7.706 0.386 1.00 0.00 O ATOM 1105 CB SER A 73 17.138 10.219 1.671 1.00 0.00 C ATOM 1106 OG SER A 73 16.842 11.498 1.155 1.00 0.00 O ATOM 0 H SER A 73 17.002 8.063 2.971 1.00 0.00 H new ATOM 0 HA SER A 73 15.101 10.208 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.742 10.310 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.726 9.651 0.950 1.00 0.00 H new ATOM 0 HG SER A 73 17.677 11.972 0.956 1.00 0.00 H new ATOM 1112 N GLU A 74 14.350 9.480 0.058 1.00 0.00 N ATOM 1113 CA GLU A 74 13.749 8.944 -1.147 1.00 0.00 C ATOM 1114 C GLU A 74 14.757 8.975 -2.288 1.00 0.00 C ATOM 1115 O GLU A 74 14.820 8.048 -3.091 1.00 0.00 O ATOM 1116 CB GLU A 74 12.507 9.757 -1.501 1.00 0.00 C ATOM 1117 CG GLU A 74 11.331 8.813 -1.734 1.00 0.00 C ATOM 1118 CD GLU A 74 10.160 9.551 -2.367 1.00 0.00 C ATOM 1119 OE1 GLU A 74 9.879 10.677 -1.902 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.569 8.975 -3.306 1.00 0.00 O ATOM 0 H GLU A 74 13.997 10.397 0.332 1.00 0.00 H new ATOM 0 HA GLU A 74 13.454 7.908 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.274 10.454 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.692 10.353 -2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.641 7.992 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.020 8.373 -0.787 1.00 0.00 H new ATOM 1127 N GLN A 75 15.548 10.049 -2.355 1.00 0.00 N ATOM 1128 CA GLN A 75 16.547 10.198 -3.394 1.00 0.00 C ATOM 1129 C GLN A 75 17.912 9.783 -2.862 1.00 0.00 C ATOM 1130 O GLN A 75 18.335 10.243 -1.804 1.00 0.00 O ATOM 1131 CB GLN A 75 16.571 11.647 -3.872 1.00 0.00 C ATOM 1132 CG GLN A 75 15.404 11.889 -4.825 1.00 0.00 C ATOM 1133 CD GLN A 75 15.687 13.072 -5.739 1.00 0.00 C ATOM 1134 OE1 GLN A 75 16.364 12.929 -6.755 1.00 0.00 O ATOM 1135 NE2 GLN A 75 15.166 14.247 -5.374 1.00 0.00 N ATOM 0 H GLN A 75 15.509 10.826 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 75 16.297 9.555 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.504 12.323 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.515 11.860 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.227 10.996 -5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.495 12.075 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.610 14.316 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.324 15.075 -5.948 1.00 0.00 H new ATOM 1144 N CYS A 76 18.601 8.909 -3.601 1.00 0.00 N ATOM 1145 CA CYS A 76 19.911 8.437 -3.201 1.00 0.00 C ATOM 1146 C CYS A 76 20.987 9.220 -3.940 1.00 0.00 C ATOM 1147 O CYS A 76 20.952 9.323 -5.164 1.00 0.00 O ATOM 1148 CB CYS A 76 20.026 6.945 -3.502 1.00 0.00 C ATOM 1149 SG CYS A 76 21.208 6.071 -2.445 1.00 0.00 S ATOM 0 H CYS A 76 18.264 8.518 -4.481 1.00 0.00 H new ATOM 0 HA CYS A 76 20.047 8.590 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.044 6.485 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.321 6.816 -4.543 1.00 0.00 H new ATOM 1154 N VAL A 77 21.945 9.772 -3.193 1.00 0.00 N ATOM 1155 CA VAL A 77 23.024 10.543 -3.778 1.00 0.00 C ATOM 1156 C VAL A 77 24.339 9.795 -3.613 1.00 0.00 C ATOM 1157 O VAL A 77 24.690 9.388 -2.507 1.00 0.00 O ATOM 1158 CB VAL A 77 23.092 11.912 -3.108 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.813 11.788 -1.769 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.855 12.881 -4.007 1.00 0.00 C ATOM 0 H VAL A 77 21.988 9.694 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 77 22.840 10.684 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 77 22.081 12.286 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.862 12.766 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.270 11.096 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.823 11.414 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.904 13.859 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.865 12.506 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.341 12.970 -4.964 1.00 0.00 H new ATOM 1170 N MET A 78 25.067 9.613 -4.718 1.00 0.00 N ATOM 1171 CA MET A 78 26.336 8.914 -4.687 1.00 0.00 C ATOM 1172 C MET A 78 27.365 9.741 -3.931 1.00 0.00 C ATOM 1173 O MET A 78 27.676 10.864 -4.323 1.00 0.00 O ATOM 1174 CB MET A 78 26.802 8.647 -6.116 1.00 0.00 C ATOM 1175 CG MET A 78 26.232 7.316 -6.597 1.00 0.00 C ATOM 1176 SD MET A 78 26.541 5.933 -5.469 1.00 0.00 S ATOM 1177 CE MET A 78 26.842 4.628 -6.685 1.00 0.00 C ATOM 0 H MET A 78 24.791 9.944 -5.642 1.00 0.00 H new ATOM 0 HA MET A 78 26.217 7.961 -4.171 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.475 9.453 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.891 8.624 -6.156 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.157 7.423 -6.739 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.660 7.080 -7.571 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.272 3.739 -6.414 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.531 4.971 -7.672 1.00 0.00 H new ATOM 0 HE3 MET A 78 27.905 4.386 -6.703 1.00 0.00 H new ATOM 1187 N LYS A 79 27.896 9.182 -2.841 1.00 0.00 N ATOM 1188 CA LYS A 79 28.886 9.869 -2.036 1.00 0.00 C ATOM 1189 C LYS A 79 30.284 9.541 -2.544 1.00 0.00 C ATOM 1190 O LYS A 79 30.504 8.483 -3.129 1.00 0.00 O ATOM 1191 CB LYS A 79 28.731 9.454 -0.576 1.00 0.00 C ATOM 1192 CG LYS A 79 27.753 10.396 0.119 1.00 0.00 C ATOM 1193 CD LYS A 79 28.310 10.793 1.483 1.00 0.00 C ATOM 1194 CE LYS A 79 27.671 12.104 1.934 1.00 0.00 C ATOM 1195 NZ LYS A 79 28.477 12.752 2.979 1.00 0.00 N ATOM 0 H LYS A 79 27.650 8.252 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 79 28.737 10.946 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.370 8.427 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.698 9.482 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 79 27.591 11.284 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 79 26.785 9.909 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.108 10.008 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.393 10.905 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.568 12.775 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.667 11.912 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 28.021 13.641 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.554 12.119 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.427 12.955 2.609 1.00 0.00 H new ATOM 1209 N GLU A 80 31.230 10.455 -2.318 1.00 0.00 N ATOM 1210 CA GLU A 80 32.599 10.258 -2.752 1.00 0.00 C ATOM 1211 C GLU A 80 33.489 9.974 -1.550 1.00 0.00 C ATOM 1212 O GLU A 80 33.769 10.868 -0.755 1.00 0.00 O ATOM 1213 CB GLU A 80 33.078 11.499 -3.498 1.00 0.00 C ATOM 1214 CG GLU A 80 33.057 12.699 -2.556 1.00 0.00 C ATOM 1215 CD GLU A 80 32.699 13.974 -3.307 1.00 0.00 C ATOM 1216 OE1 GLU A 80 33.488 14.345 -4.202 1.00 0.00 O ATOM 1217 OE2 GLU A 80 31.643 14.552 -2.972 1.00 0.00 O ATOM 0 H GLU A 80 31.064 11.338 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 80 32.650 9.402 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.087 11.340 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.438 11.688 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.334 12.527 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.033 12.812 -2.084 1.00 0.00 H new ATOM 1224 N LYS A 81 33.934 8.722 -1.420 1.00 0.00 N ATOM 1225 CA LYS A 81 34.789 8.326 -0.319 1.00 0.00 C ATOM 1226 C LYS A 81 36.222 8.168 -0.807 1.00 0.00 C ATOM 1227 O LYS A 81 36.458 7.954 -1.994 1.00 0.00 O ATOM 1228 CB LYS A 81 34.275 7.020 0.280 1.00 0.00 C ATOM 1229 CG LYS A 81 33.223 7.328 1.343 1.00 0.00 C ATOM 1230 CD LYS A 81 32.227 8.345 0.793 1.00 0.00 C ATOM 1231 CE LYS A 81 30.864 8.124 1.443 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.549 9.205 2.389 1.00 0.00 N ATOM 0 H LYS A 81 33.711 7.969 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 81 34.773 9.096 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 81 33.845 6.393 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.100 6.460 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.704 6.414 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.701 7.720 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.577 9.358 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.147 8.243 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.094 8.074 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.857 7.167 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.536 9.177 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.109 9.081 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 30.779 10.123 1.957 1.00 0.00 H new ATOM 1246 N LYS A 82 37.183 8.273 0.115 1.00 0.00 N ATOM 1247 CA LYS A 82 38.585 8.141 -0.225 1.00 0.00 C ATOM 1248 C LYS A 82 38.814 6.842 -0.985 1.00 0.00 C ATOM 1249 O LYS A 82 38.837 5.767 -0.390 1.00 0.00 O ATOM 1250 CB LYS A 82 39.421 8.176 1.050 1.00 0.00 C ATOM 1251 CG LYS A 82 38.774 7.286 2.108 1.00 0.00 C ATOM 1252 CD LYS A 82 39.754 6.192 2.524 1.00 0.00 C ATOM 1253 CE LYS A 82 38.992 5.060 3.207 1.00 0.00 C ATOM 1254 NZ LYS A 82 39.618 4.703 4.490 1.00 0.00 N ATOM 0 H LYS A 82 37.005 8.450 1.104 1.00 0.00 H new ATOM 0 HA LYS A 82 38.887 8.970 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.435 7.834 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.499 9.199 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.489 7.882 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 82 37.861 6.840 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.284 5.813 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.505 6.600 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.958 5.362 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.968 4.187 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 39.082 3.931 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 40.597 4.394 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 39.618 5.532 5.119 1.00 0.00 H new ATOM 1268 N ASP A 83 38.983 6.944 -2.304 1.00 0.00 N ATOM 1269 CA ASP A 83 39.208 5.781 -3.139 1.00 0.00 C ATOM 1270 C ASP A 83 40.509 5.945 -3.911 1.00 0.00 C ATOM 1271 O ASP A 83 40.612 6.804 -4.784 1.00 0.00 O ATOM 1272 CB ASP A 83 38.031 5.606 -4.094 1.00 0.00 C ATOM 1273 CG ASP A 83 36.716 5.541 -3.331 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.671 4.779 -2.341 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.779 6.255 -3.752 1.00 0.00 O ATOM 0 H ASP A 83 38.967 7.828 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 83 39.288 4.891 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.005 6.435 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.163 4.694 -4.677 1.00 0.00 H new ATOM 1280 N ASP A 84 41.506 5.118 -3.586 1.00 0.00 N ATOM 1281 CA ASP A 84 42.793 5.176 -4.248 1.00 0.00 C ATOM 1282 C ASP A 84 42.813 4.210 -5.424 1.00 0.00 C ATOM 1283 O ASP A 84 42.474 3.038 -5.275 1.00 0.00 O ATOM 1284 CB ASP A 84 43.895 4.832 -3.249 1.00 0.00 C ATOM 1285 CG ASP A 84 43.984 5.885 -2.154 1.00 0.00 C ATOM 1286 OD1 ASP A 84 42.912 6.231 -1.610 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.122 6.326 -1.881 1.00 0.00 O ATOM 0 H ASP A 84 41.437 4.401 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 84 42.965 6.183 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.697 3.856 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.851 4.759 -3.767 1.00 0.00 H new ATOM 1292 N GLY A 85 43.209 4.706 -6.599 1.00 0.00 N ATOM 1293 CA GLY A 85 43.267 3.883 -7.791 1.00 0.00 C ATOM 1294 C GLY A 85 42.010 4.075 -8.627 1.00 0.00 C ATOM 1295 O GLY A 85 41.944 3.630 -9.771 1.00 0.00 O ATOM 0 H GLY A 85 43.493 5.675 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.147 4.144 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.370 2.834 -7.512 1.00 0.00 H new ATOM 1299 N GLY A 86 41.008 4.743 -8.051 1.00 0.00 N ATOM 1300 CA GLY A 86 39.759 4.990 -8.745 1.00 0.00 C ATOM 1301 C GLY A 86 38.739 5.599 -7.794 1.00 0.00 C ATOM 1302 O GLY A 86 38.929 5.587 -6.581 1.00 0.00 O ATOM 0 H GLY A 86 41.045 5.120 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 86 39.929 5.662 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.372 4.057 -9.155 1.00 0.00 H new ATOM 1306 N LEU A 87 37.650 6.135 -8.352 1.00 0.00 N ATOM 1307 CA LEU A 87 36.604 6.747 -7.556 1.00 0.00 C ATOM 1308 C LEU A 87 35.494 5.739 -7.298 1.00 0.00 C ATOM 1309 O LEU A 87 34.974 5.131 -8.231 1.00 0.00 O ATOM 1310 CB LEU A 87 36.063 7.974 -8.285 1.00 0.00 C ATOM 1311 CG LEU A 87 36.791 9.220 -7.793 1.00 0.00 C ATOM 1312 CD1 LEU A 87 36.715 9.288 -6.271 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.253 9.160 -8.228 1.00 0.00 C ATOM 0 H LEU A 87 37.477 6.153 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 87 37.011 7.062 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.200 7.861 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 87 34.992 8.072 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 87 36.321 10.106 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 87 37.236 10.179 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.671 9.332 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.184 8.402 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 87 38.774 10.051 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 87 38.723 8.273 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.307 9.113 -9.316 1.00 0.00 H new ATOM 1325 N MET A 88 35.130 5.562 -6.026 1.00 0.00 N ATOM 1326 CA MET A 88 34.086 4.629 -5.654 1.00 0.00 C ATOM 1327 C MET A 88 32.992 5.355 -4.885 1.00 0.00 C ATOM 1328 O MET A 88 33.237 5.893 -3.807 1.00 0.00 O ATOM 1329 CB MET A 88 34.685 3.507 -4.811 1.00 0.00 C ATOM 1330 CG MET A 88 36.115 3.233 -5.269 1.00 0.00 C ATOM 1331 SD MET A 88 36.419 1.513 -5.739 1.00 0.00 S ATOM 1332 CE MET A 88 36.461 0.765 -4.091 1.00 0.00 C ATOM 0 H MET A 88 35.550 6.059 -5.240 1.00 0.00 H new ATOM 0 HA MET A 88 33.644 4.197 -6.552 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.677 3.785 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 88 34.082 2.604 -4.907 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.343 3.877 -6.118 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.801 3.507 -4.468 1.00 0.00 H new ATOM 0 HE1 MET A 88 37.450 0.344 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 88 36.245 1.526 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 88 35.713 -0.026 -4.031 1.00 0.00 H new ATOM 1342 N PHE A 89 31.780 5.370 -5.443 1.00 0.00 N ATOM 1343 CA PHE A 89 30.655 6.028 -4.808 1.00 0.00 C ATOM 1344 C PHE A 89 29.628 4.991 -4.372 1.00 0.00 C ATOM 1345 O PHE A 89 29.253 4.119 -5.153 1.00 0.00 O ATOM 1346 CB PHE A 89 30.037 7.026 -5.782 1.00 0.00 C ATOM 1347 CG PHE A 89 30.879 8.261 -5.997 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.210 8.135 -6.417 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.333 9.530 -5.774 1.00 0.00 C ATOM 1350 CE1 PHE A 89 32.992 9.278 -6.615 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.116 10.674 -5.972 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.446 10.547 -6.392 1.00 0.00 C ATOM 0 H PHE A 89 31.560 4.930 -6.337 1.00 0.00 H new ATOM 0 HA PHE A 89 30.995 6.566 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.877 6.534 -6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.057 7.325 -5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.632 7.156 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.308 9.627 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.017 9.181 -6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.695 11.654 -5.801 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.051 11.429 -6.544 1.00 0.00 H new ATOM 1362 N MET A 90 29.175 5.089 -3.121 1.00 0.00 N ATOM 1363 CA MET A 90 28.197 4.161 -2.590 1.00 0.00 C ATOM 1364 C MET A 90 27.061 4.927 -1.928 1.00 0.00 C ATOM 1365 O MET A 90 27.297 5.885 -1.196 1.00 0.00 O ATOM 1366 CB MET A 90 28.875 3.230 -1.587 1.00 0.00 C ATOM 1367 CG MET A 90 29.456 4.052 -0.441 1.00 0.00 C ATOM 1368 SD MET A 90 30.803 5.155 -0.936 1.00 0.00 S ATOM 1369 CE MET A 90 29.909 6.729 -0.918 1.00 0.00 C ATOM 0 H MET A 90 29.476 5.807 -2.461 1.00 0.00 H new ATOM 0 HA MET A 90 27.781 3.564 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 90 28.156 2.507 -1.202 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.665 2.662 -2.078 1.00 0.00 H new ATOM 0 HG2 MET A 90 28.659 4.646 0.007 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.820 3.374 0.331 1.00 0.00 H new ATOM 0 HE1 MET A 90 30.623 7.553 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 90 29.276 6.798 -1.803 1.00 0.00 H new ATOM 0 HE3 MET A 90 29.289 6.785 -0.023 1.00 0.00 H new ATOM 1379 N CYS A 91 25.823 4.502 -2.191 1.00 0.00 N ATOM 1380 CA CYS A 91 24.656 5.145 -1.623 1.00 0.00 C ATOM 1381 C CYS A 91 23.610 4.098 -1.270 1.00 0.00 C ATOM 1382 O CYS A 91 23.550 3.042 -1.896 1.00 0.00 O ATOM 1383 CB CYS A 91 24.095 6.153 -2.624 1.00 0.00 C ATOM 1384 SG CYS A 91 22.797 5.485 -3.692 1.00 0.00 S ATOM 0 H CYS A 91 25.612 3.710 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 91 24.935 5.673 -0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.698 7.009 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.909 6.523 -3.247 1.00 0.00 H new ATOM 1389 N SER A 92 22.784 4.392 -0.264 1.00 0.00 N ATOM 1390 CA SER A 92 21.747 3.475 0.166 1.00 0.00 C ATOM 1391 C SER A 92 20.401 4.187 0.176 1.00 0.00 C ATOM 1392 O SER A 92 20.344 5.415 0.154 1.00 0.00 O ATOM 1393 CB SER A 92 22.085 2.939 1.553 1.00 0.00 C ATOM 1394 OG SER A 92 22.457 4.010 2.392 1.00 0.00 O ATOM 0 H SER A 92 22.820 5.263 0.265 1.00 0.00 H new ATOM 0 HA SER A 92 21.687 2.636 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.225 2.416 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.897 2.215 1.487 1.00 0.00 H new ATOM 0 HG SER A 92 21.845 4.055 3.156 1.00 0.00 H new ATOM 1400 N CYS A 93 19.316 3.411 0.211 1.00 0.00 N ATOM 1401 CA CYS A 93 17.977 3.967 0.226 1.00 0.00 C ATOM 1402 C CYS A 93 16.954 2.847 0.101 1.00 0.00 C ATOM 1403 O CYS A 93 17.079 1.979 -0.760 1.00 0.00 O ATOM 1404 CB CYS A 93 17.829 4.964 -0.920 1.00 0.00 C ATOM 1405 SG CYS A 93 18.362 4.323 -2.526 1.00 0.00 S ATOM 0 H CYS A 93 19.347 2.392 0.229 1.00 0.00 H new ATOM 0 HA CYS A 93 17.805 4.488 1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.785 5.269 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.407 5.858 -0.687 1.00 0.00 H new ATOM 1410 N THR A 94 15.937 2.867 0.967 1.00 0.00 N ATOM 1411 CA THR A 94 14.900 1.855 0.946 1.00 0.00 C ATOM 1412 C THR A 94 13.887 2.172 -0.144 1.00 0.00 C ATOM 1413 O THR A 94 12.889 1.470 -0.295 1.00 0.00 O ATOM 1414 CB THR A 94 14.223 1.794 2.313 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.078 0.976 2.233 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.813 3.201 2.740 1.00 0.00 C ATOM 0 H THR A 94 15.818 3.578 1.689 1.00 0.00 H new ATOM 0 HA THR A 94 15.342 0.882 0.729 1.00 0.00 H new ATOM 0 HB THR A 94 14.917 1.379 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.560 1.216 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.329 3.159 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.697 3.835 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.119 3.615 2.009 1.00 0.00 H new ATOM 1424 N GLY A 95 14.147 3.235 -0.909 1.00 0.00 N ATOM 1425 CA GLY A 95 13.258 3.638 -1.979 1.00 0.00 C ATOM 1426 C GLY A 95 13.292 2.615 -3.106 1.00 0.00 C ATOM 1427 O GLY A 95 14.296 1.938 -3.305 1.00 0.00 O ATOM 0 H GLY A 95 14.970 3.827 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.241 3.737 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.553 4.617 -2.358 1.00 0.00 H new ATOM 1431 N GLU A 96 12.185 2.505 -3.845 1.00 0.00 N ATOM 1432 CA GLU A 96 12.095 1.568 -4.947 1.00 0.00 C ATOM 1433 C GLU A 96 13.049 1.979 -6.059 1.00 0.00 C ATOM 1434 O GLU A 96 12.933 3.072 -6.610 1.00 0.00 O ATOM 1435 CB GLU A 96 10.657 1.524 -5.458 1.00 0.00 C ATOM 1436 CG GLU A 96 9.771 2.383 -4.561 1.00 0.00 C ATOM 1437 CD GLU A 96 10.043 3.863 -4.787 1.00 0.00 C ATOM 1438 OE1 GLU A 96 10.010 4.272 -5.968 1.00 0.00 O ATOM 1439 OE2 GLU A 96 10.278 4.558 -3.775 1.00 0.00 O ATOM 0 H GLU A 96 11.342 3.058 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 96 12.378 0.573 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.614 1.887 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.295 0.496 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.722 2.167 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.952 2.131 -3.516 1.00 0.00 H new ATOM 1446 N GLU A 97 13.997 1.098 -6.388 1.00 0.00 N ATOM 1447 CA GLU A 97 14.964 1.373 -7.432 1.00 0.00 C ATOM 1448 C GLU A 97 15.735 2.643 -7.104 1.00 0.00 C ATOM 1449 O GLU A 97 16.644 3.030 -7.837 1.00 0.00 O ATOM 1450 CB GLU A 97 14.242 1.509 -8.769 1.00 0.00 C ATOM 1451 CG GLU A 97 13.300 0.324 -8.962 1.00 0.00 C ATOM 1452 CD GLU A 97 12.646 0.367 -10.335 1.00 0.00 C ATOM 1453 OE1 GLU A 97 11.622 1.074 -10.454 1.00 0.00 O ATOM 1454 OE2 GLU A 97 13.183 -0.308 -11.241 1.00 0.00 O ATOM 0 H GLU A 97 14.108 0.188 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 97 15.675 0.549 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.680 2.442 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.966 1.548 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 97 13.854 -0.608 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.532 0.335 -8.189 1.00 0.00 H new ATOM 1461 N CYS A 98 15.370 3.294 -5.996 1.00 0.00 N ATOM 1462 CA CYS A 98 16.027 4.515 -5.575 1.00 0.00 C ATOM 1463 C CYS A 98 17.532 4.381 -5.759 1.00 0.00 C ATOM 1464 O CYS A 98 18.197 5.331 -6.165 1.00 0.00 O ATOM 1465 CB CYS A 98 15.684 4.797 -4.114 1.00 0.00 C ATOM 1466 SG CYS A 98 16.468 3.662 -2.942 1.00 0.00 S ATOM 0 H CYS A 98 14.619 2.987 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 98 15.680 5.349 -6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 98 15.983 5.817 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.603 4.743 -3.988 1.00 0.00 H new ATOM 1471 N ASN A 99 18.068 3.195 -5.460 1.00 0.00 N ATOM 1472 CA ASN A 99 19.489 2.945 -5.595 1.00 0.00 C ATOM 1473 C ASN A 99 19.872 2.911 -7.068 1.00 0.00 C ATOM 1474 O ASN A 99 20.895 3.468 -7.460 1.00 0.00 O ATOM 1475 CB ASN A 99 19.838 1.623 -4.915 1.00 0.00 C ATOM 1476 CG ASN A 99 19.761 0.468 -5.903 1.00 0.00 C ATOM 1477 OD1 ASN A 99 20.596 0.358 -6.798 1.00 0.00 O ATOM 1478 ND2 ASN A 99 18.757 -0.397 -5.737 1.00 0.00 N ATOM 0 H ASN A 99 17.530 2.396 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 99 20.050 3.747 -5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.842 1.680 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.154 1.444 -4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.659 -1.192 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.088 -0.263 -4.978 1.00 0.00 H new ATOM 1485 N ASP A 100 19.045 2.253 -7.884 1.00 0.00 N ATOM 1486 CA ASP A 100 19.299 2.149 -9.307 1.00 0.00 C ATOM 1487 C ASP A 100 19.712 3.506 -9.858 1.00 0.00 C ATOM 1488 O ASP A 100 20.368 3.583 -10.894 1.00 0.00 O ATOM 1489 CB ASP A 100 18.044 1.638 -10.010 1.00 0.00 C ATOM 1490 CG ASP A 100 17.358 2.759 -10.779 1.00 0.00 C ATOM 1491 OD1 ASP A 100 17.942 3.190 -11.796 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.263 3.164 -10.333 1.00 0.00 O ATOM 0 H ASP A 100 18.193 1.786 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 100 20.112 1.445 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.308 0.831 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.355 1.221 -9.276 1.00 0.00 H new ATOM 1497 N VAL A 101 19.327 4.578 -9.160 1.00 0.00 N ATOM 1498 CA VAL A 101 19.658 5.923 -9.582 1.00 0.00 C ATOM 1499 C VAL A 101 20.767 6.481 -8.700 1.00 0.00 C ATOM 1500 O VAL A 101 20.522 6.861 -7.558 1.00 0.00 O ATOM 1501 CB VAL A 101 18.412 6.801 -9.504 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.450 7.840 -10.620 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.168 5.932 -9.659 1.00 0.00 C ATOM 0 H VAL A 101 18.784 4.530 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 101 20.012 5.909 -10.613 1.00 0.00 H new ATOM 0 HB VAL A 101 18.384 7.307 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.560 8.467 -10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.339 8.461 -10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.478 7.336 -11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.278 6.558 -9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.196 5.426 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.140 5.190 -8.861 1.00 0.00 H new ATOM 1513 N LEU A 102 21.989 6.528 -9.235 1.00 0.00 N ATOM 1514 CA LEU A 102 23.127 7.038 -8.497 1.00 0.00 C ATOM 1515 C LEU A 102 23.390 8.486 -8.887 1.00 0.00 C ATOM 1516 O LEU A 102 23.929 8.755 -9.958 1.00 0.00 O ATOM 1517 CB LEU A 102 24.350 6.171 -8.785 1.00 0.00 C ATOM 1518 CG LEU A 102 24.148 5.430 -10.103 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.504 5.006 -10.662 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.285 4.194 -9.867 1.00 0.00 C ATOM 0 H LEU A 102 22.208 6.216 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 102 22.916 7.003 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.245 6.791 -8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.503 5.458 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 102 23.651 6.088 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.360 4.476 -11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.119 5.889 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.002 4.349 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.141 3.665 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 102 23.780 3.535 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.316 4.497 -9.470 1.00 0.00 H new ATOM 1532 N ILE A 103 23.006 9.419 -8.012 1.00 0.00 N ATOM 1533 CA ILE A 103 23.202 10.832 -8.265 1.00 0.00 C ATOM 1534 C ILE A 103 24.611 11.239 -7.856 1.00 0.00 C ATOM 1535 O ILE A 103 24.989 11.090 -6.697 1.00 0.00 O ATOM 1536 CB ILE A 103 22.160 11.635 -7.492 1.00 0.00 C ATOM 1537 CG1 ILE A 103 20.878 11.731 -8.313 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.696 13.039 -7.223 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.691 11.301 -7.455 1.00 0.00 C ATOM 0 H ILE A 103 22.556 9.211 -7.121 1.00 0.00 H new ATOM 0 HA ILE A 103 23.082 11.036 -9.329 1.00 0.00 H new ATOM 0 HB ILE A 103 21.949 11.138 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.735 12.753 -8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 103 20.951 11.097 -9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.952 13.613 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.612 12.972 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.907 13.535 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.775 11.369 -8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.835 10.272 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.615 11.954 -6.585 1.00 0.00 H new ATOM 1551 N PHE A 104 25.387 11.754 -8.812 1.00 0.00 N ATOM 1552 CA PHE A 104 26.747 12.179 -8.544 1.00 0.00 C ATOM 1553 C PHE A 104 26.823 13.699 -8.545 1.00 0.00 C ATOM 1554 O PHE A 104 26.607 14.334 -9.575 1.00 0.00 O ATOM 1555 CB PHE A 104 27.679 11.589 -9.598 1.00 0.00 C ATOM 1556 CG PHE A 104 27.614 10.082 -9.687 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.504 9.463 -10.273 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.665 9.307 -9.183 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.445 8.067 -10.356 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.606 7.911 -9.266 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.497 7.290 -9.854 1.00 0.00 C ATOM 0 H PHE A 104 25.088 11.884 -9.779 1.00 0.00 H new ATOM 0 HA PHE A 104 27.058 11.822 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.429 12.013 -10.570 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.703 11.888 -9.374 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.693 10.062 -10.661 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.521 9.786 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.588 7.589 -10.807 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.416 7.312 -8.876 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.453 6.213 -9.920 1.00 0.00 H new ATOM 1571 N SER A 105 27.133 14.282 -7.385 1.00 0.00 N ATOM 1572 CA SER A 105 27.238 15.722 -7.258 1.00 0.00 C ATOM 1573 C SER A 105 28.498 16.082 -6.485 1.00 0.00 C ATOM 1574 O SER A 105 28.966 15.304 -5.658 1.00 0.00 O ATOM 1575 CB SER A 105 25.997 16.261 -6.551 1.00 0.00 C ATOM 1576 OG SER A 105 26.150 16.114 -5.157 1.00 0.00 O ATOM 0 H SER A 105 27.315 13.770 -6.522 1.00 0.00 H new ATOM 0 HA SER A 105 27.302 16.174 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.849 17.311 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.111 15.724 -6.889 1.00 0.00 H new ATOM 0 HG SER A 105 25.271 16.152 -4.726 1.00 0.00 H new ATOM 1582 N ALA A 106 29.047 17.268 -6.757 1.00 0.00 N ATOM 1583 CA ALA A 106 30.248 17.727 -6.089 1.00 0.00 C ATOM 1584 C ALA A 106 29.904 18.855 -5.127 1.00 0.00 C ATOM 1585 O ALA A 106 30.761 19.669 -4.791 1.00 0.00 O ATOM 1586 CB ALA A 106 31.262 18.193 -7.130 1.00 0.00 C ATOM 0 H ALA A 106 28.670 17.925 -7.440 1.00 0.00 H new ATOM 0 HA ALA A 106 30.686 16.909 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.166 18.539 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.509 17.364 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.836 19.010 -7.713 1.00 0.00 H new ATOM 1592 N ILE A 107 28.646 18.900 -4.684 1.00 0.00 N ATOM 1593 CA ILE A 107 28.194 19.925 -3.764 1.00 0.00 C ATOM 1594 C ILE A 107 28.487 19.497 -2.332 1.00 0.00 C ATOM 1595 O ILE A 107 29.190 18.515 -2.109 1.00 0.00 O ATOM 1596 CB ILE A 107 26.700 20.164 -3.963 1.00 0.00 C ATOM 1597 CG1 ILE A 107 25.925 18.915 -3.551 1.00 0.00 C ATOM 1598 CG2 ILE A 107 26.425 20.471 -5.433 1.00 0.00 C ATOM 1599 CD1 ILE A 107 24.551 19.319 -3.026 1.00 0.00 C ATOM 1600 OXT ILE A 107 27.983 20.186 -1.420 1.00 0.00 O ATOM 0 H ILE A 107 27.925 18.231 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 107 28.726 20.856 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 107 26.383 21.007 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 107 25.818 18.243 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 107 26.474 18.370 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 107 25.358 20.642 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 107 26.978 21.363 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 107 26.743 19.628 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 107 23.997 18.427 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 107 24.669 19.974 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 107 24.003 19.845 -3.808 1.00 0.00 H new TER 1612 ILE A 107