USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 970 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 18 GLN : amide:sc= -1.92 K(o=-3.1,f=-2.5) USER MOD Set 1.2: B 18 GLN : amide:sc= -1.18 K(o=-3.1,f=-5.6) USER MOD Set 2.1: B 10 ASN : amide:sc= -1.64 K(o=-2,f=-4.9!) USER MOD Set 2.2: B 49 TYR OH : rot -50:sc= -0.397 USER MOD Set 3.1: A 52 CYS SG : rot -179:sc= 0.0814 USER MOD Set 3.2: B 34 GLN : amide:sc= -1.52! C(o=-1.4!,f=-1.2!) USER MOD Set 4.1: A 3 LYS NZ :NH3+ -162:sc= 0.926 (180deg=0) USER MOD Set 4.2: A 7 THR OG1 : rot 90:sc= 1.55 USER MOD Set 5.1: A 1 MET CE :methyl 139:sc= 0 (180deg=0) USER MOD Set 5.2: A 2 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 1 MET N :NH3+ -144:sc= -3.19! (180deg=-6.24!) USER MOD Single : A 4 GLN : amide:sc= -3.68! C(o=-3.7!,f=-4.3!) USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= 0.251 (180deg=-1.41) USER MOD Single : A 10 ASN : amide:sc= -2.74! C(o=-2.7!,f=-4.4!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 91:sc= 1.41 USER MOD Single : A 19 THR OG1 : rot -170:sc= -0.0523 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= -2.17 (180deg=-5.95!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 34 GLN : amide:sc= -3.76! K(o=-3.8!,f=-2) USER MOD Single : A 38 CYS SG : rot -27:sc= -2.53 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 42 HIS : no HD1:sc= -1.99 K(o=-2,f=-5.2!) USER MOD Single : A 44 HIS : no HE2:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 51 SER OG : rot 91:sc= 0.811 USER MOD Single : A 62 ASN : amide:sc= -5.29! C(o=-5.3!,f=-5!) USER MOD Single : B 1 MET CE :methyl -177:sc= 0 (180deg=-0.00866) USER MOD Single : B 1 MET N :NH3+ -140:sc= -0.432! (180deg=-5.38!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0.088 USER MOD Single : B 3 LYS NZ :NH3+ 164:sc= -0.0463 (180deg=-0.475) USER MOD Single : B 4 GLN : amide:sc= -0.162 K(o=-0.16,f=-6.9!) USER MOD Single : B 6 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.294) USER MOD Single : B 7 THR OG1 : rot 91:sc= 0.394 USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 SER OG : rot 180:sc= 0.032 USER MOD Single : B 19 THR OG1 : rot 91:sc= 0.969 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.137 USER MOD Single : B 25 LYS NZ :NH3+ -131:sc= -2.3! (180deg=-5.06!) USER MOD Single : B 27 ASN : amide:sc= -0.603 K(o=-0.6,f=-0.049) USER MOD Single : B 38 CYS SG : rot 110:sc= -1.69 USER MOD Single : B 40 SER OG : rot 180:sc= 0.0265 USER MOD Single : B 42 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-5.9!) USER MOD Single : B 44 HIS : no HE2:sc= -0.892 K(o=-0.89,f=-2.7!) USER MOD Single : B 51 SER OG : rot -162:sc= 1.06 USER MOD Single : B 52 CYS SG : rot -62:sc= 0.543 USER MOD Single : B 62 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.889 -0.142 -0.587 1.00 3.37 N ATOM 2 CA MET A 1 -22.019 -0.807 0.101 1.00 3.57 C ATOM 3 C MET A 1 -22.368 -1.985 -0.797 1.00 3.47 C ATOM 4 O MET A 1 -22.235 -3.141 -0.442 1.00 4.06 O ATOM 5 CB MET A 1 -23.234 0.138 0.211 1.00 3.97 C ATOM 6 CG MET A 1 -24.235 -0.411 1.228 1.00 4.33 C ATOM 7 SD MET A 1 -24.955 -2.042 0.917 1.00 4.83 S ATOM 8 CE MET A 1 -26.183 -1.536 -0.312 1.00 5.37 C ATOM 0 H1 MET A 1 -20.220 0.225 0.120 1.00 3.37 H new ATOM 0 H2 MET A 1 -20.404 -0.828 -1.200 1.00 3.37 H new ATOM 0 H3 MET A 1 -21.249 0.645 -1.165 1.00 3.37 H new ATOM 0 HA MET A 1 -21.757 -1.104 1.117 1.00 3.57 H new ATOM 0 HB2 MET A 1 -22.905 1.132 0.513 1.00 3.97 H new ATOM 0 HB3 MET A 1 -23.713 0.242 -0.763 1.00 3.97 H new ATOM 0 HG2 MET A 1 -23.740 -0.444 2.199 1.00 4.33 H new ATOM 0 HG3 MET A 1 -25.053 0.305 1.311 1.00 4.33 H new ATOM 0 HE1 MET A 1 -26.221 -2.273 -1.114 1.00 5.37 H new ATOM 0 HE2 MET A 1 -27.162 -1.464 0.161 1.00 5.37 H new ATOM 0 HE3 MET A 1 -25.907 -0.566 -0.724 1.00 5.37 H new ATOM 20 N THR A 2 -22.804 -1.618 -1.961 1.00 2.92 N ATOM 21 CA THR A 2 -23.224 -2.575 -3.004 1.00 2.99 C ATOM 22 C THR A 2 -21.990 -3.294 -3.578 1.00 2.72 C ATOM 23 O THR A 2 -20.991 -3.467 -2.906 1.00 2.84 O ATOM 24 CB THR A 2 -23.946 -1.743 -4.041 1.00 3.22 C ATOM 25 OG1 THR A 2 -24.513 -0.709 -3.246 1.00 3.49 O ATOM 26 CG2 THR A 2 -25.164 -2.499 -4.594 1.00 4.02 C ATOM 0 H THR A 2 -22.889 -0.641 -2.243 1.00 2.92 H new ATOM 0 HA THR A 2 -23.878 -3.360 -2.626 1.00 2.99 H new ATOM 0 HB THR A 2 -23.286 -1.452 -4.858 1.00 3.22 H new ATOM 0 HG1 THR A 2 -25.015 -0.093 -3.820 1.00 3.49 H new ATOM 0 HG21 THR A 2 -25.668 -1.882 -5.338 1.00 4.02 H new ATOM 0 HG22 THR A 2 -24.835 -3.430 -5.057 1.00 4.02 H new ATOM 0 HG23 THR A 2 -25.854 -2.722 -3.780 1.00 4.02 H new ATOM 34 N LYS A 3 -22.089 -3.700 -4.813 1.00 2.63 N ATOM 35 CA LYS A 3 -20.943 -4.401 -5.443 1.00 2.60 C ATOM 36 C LYS A 3 -20.024 -3.392 -6.116 1.00 2.17 C ATOM 37 O LYS A 3 -18.830 -3.590 -6.183 1.00 2.07 O ATOM 38 CB LYS A 3 -21.489 -5.416 -6.475 1.00 3.03 C ATOM 39 CG LYS A 3 -20.329 -6.236 -7.070 1.00 3.61 C ATOM 40 CD LYS A 3 -19.902 -5.598 -8.393 1.00 3.98 C ATOM 41 CE LYS A 3 -18.603 -6.261 -8.864 1.00 4.65 C ATOM 42 NZ LYS A 3 -18.035 -5.505 -10.013 1.00 4.95 N ATOM 0 H LYS A 3 -22.909 -3.577 -5.407 1.00 2.63 H new ATOM 0 HA LYS A 3 -20.366 -4.931 -4.685 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -22.209 -6.081 -5.998 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -22.019 -4.890 -7.269 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -19.490 -6.262 -6.375 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -20.640 -7.268 -7.232 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -20.683 -5.724 -9.142 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -19.754 -4.526 -8.264 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -17.883 -6.292 -8.046 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -18.797 -7.293 -9.157 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -17.349 -6.103 -10.517 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -18.801 -5.234 -10.663 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -17.558 -4.649 -9.664 1.00 4.95 H new ATOM 56 N GLN A 4 -20.601 -2.334 -6.606 1.00 2.02 N ATOM 57 CA GLN A 4 -19.793 -1.303 -7.319 1.00 1.74 C ATOM 58 C GLN A 4 -18.652 -0.824 -6.447 1.00 1.34 C ATOM 59 O GLN A 4 -17.502 -0.909 -6.818 1.00 1.25 O ATOM 60 CB GLN A 4 -20.672 -0.089 -7.689 1.00 1.87 C ATOM 61 CG GLN A 4 -21.767 -0.475 -8.704 1.00 2.66 C ATOM 62 CD GLN A 4 -22.816 -1.359 -8.026 1.00 3.34 C ATOM 63 OE1 GLN A 4 -22.797 -2.569 -8.148 1.00 3.63 O ATOM 64 NE2 GLN A 4 -23.744 -0.800 -7.299 1.00 4.09 N ATOM 0 H GLN A 4 -21.600 -2.136 -6.545 1.00 2.02 H new ATOM 0 HA GLN A 4 -19.395 -1.761 -8.225 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -21.135 0.315 -6.789 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -20.047 0.700 -8.108 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -22.238 0.423 -9.103 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -21.323 -1.004 -9.548 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -23.766 0.214 -7.192 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -24.447 -1.377 -6.838 1.00 4.09 H new ATOM 73 N GLU A 5 -19.016 -0.327 -5.310 1.00 1.21 N ATOM 74 CA GLU A 5 -17.991 0.165 -4.363 1.00 0.96 C ATOM 75 C GLU A 5 -17.005 -0.969 -4.104 1.00 0.95 C ATOM 76 O GLU A 5 -15.815 -0.746 -4.035 1.00 0.82 O ATOM 77 CB GLU A 5 -18.633 0.579 -3.027 1.00 1.13 C ATOM 78 CG GLU A 5 -19.897 1.427 -3.256 1.00 1.56 C ATOM 79 CD GLU A 5 -21.118 0.523 -3.276 1.00 1.97 C ATOM 80 OE1 GLU A 5 -20.916 -0.655 -3.488 1.00 2.53 O ATOM 81 OE2 GLU A 5 -22.198 1.037 -3.066 1.00 2.36 O ATOM 0 H GLU A 5 -19.981 -0.239 -4.993 1.00 1.21 H new ATOM 0 HA GLU A 5 -17.492 1.034 -4.792 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.888 -0.311 -2.452 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -17.914 1.146 -2.435 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -19.996 2.172 -2.466 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -19.818 1.970 -4.198 1.00 1.56 H new ATOM 88 N LYS A 6 -17.500 -2.169 -3.963 1.00 1.22 N ATOM 89 CA LYS A 6 -16.536 -3.276 -3.713 1.00 1.36 C ATOM 90 C LYS A 6 -15.578 -3.355 -4.894 1.00 1.20 C ATOM 91 O LYS A 6 -14.422 -3.692 -4.735 1.00 1.18 O ATOM 92 CB LYS A 6 -17.258 -4.627 -3.578 1.00 1.75 C ATOM 93 CG LYS A 6 -18.045 -4.688 -2.252 1.00 2.49 C ATOM 94 CD LYS A 6 -18.720 -6.067 -2.144 1.00 2.98 C ATOM 95 CE LYS A 6 -19.420 -6.189 -0.772 1.00 3.67 C ATOM 96 NZ LYS A 6 -20.441 -5.118 -0.598 1.00 3.78 N ATOM 0 H LYS A 6 -18.487 -2.424 -4.007 1.00 1.22 H new ATOM 0 HA LYS A 6 -16.006 -3.073 -2.783 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -17.938 -4.768 -4.418 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -16.532 -5.439 -3.615 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -17.375 -4.527 -1.407 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -18.794 -3.897 -2.220 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -19.446 -6.193 -2.947 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -17.978 -6.857 -2.258 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -19.895 -7.167 -0.687 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -18.680 -6.124 0.025 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -20.278 -4.626 0.304 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -20.368 -4.438 -1.382 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -21.391 -5.541 -0.594 1.00 3.78 H new ATOM 110 N THR A 7 -16.077 -3.045 -6.054 1.00 1.23 N ATOM 111 CA THR A 7 -15.198 -3.093 -7.238 1.00 1.25 C ATOM 112 C THR A 7 -14.143 -2.003 -7.026 1.00 0.98 C ATOM 113 O THR A 7 -12.999 -2.163 -7.398 1.00 0.93 O ATOM 114 CB THR A 7 -16.058 -2.827 -8.481 1.00 1.53 C ATOM 115 OG1 THR A 7 -17.182 -3.682 -8.308 1.00 1.77 O ATOM 116 CG2 THR A 7 -15.371 -3.365 -9.746 1.00 1.82 C ATOM 0 H THR A 7 -17.042 -2.765 -6.228 1.00 1.23 H new ATOM 0 HA THR A 7 -14.707 -4.056 -7.376 1.00 1.25 H new ATOM 0 HB THR A 7 -16.264 -1.762 -8.584 1.00 1.53 H new ATOM 0 HG1 THR A 7 -17.882 -3.206 -7.815 1.00 1.77 H new ATOM 0 HG21 THR A 7 -15.999 -3.165 -10.614 1.00 1.82 H new ATOM 0 HG22 THR A 7 -14.407 -2.872 -9.874 1.00 1.82 H new ATOM 0 HG23 THR A 7 -15.219 -4.440 -9.648 1.00 1.82 H new ATOM 124 N ALA A 8 -14.529 -0.908 -6.432 1.00 0.87 N ATOM 125 CA ALA A 8 -13.504 0.150 -6.213 1.00 0.79 C ATOM 126 C ALA A 8 -12.468 -0.420 -5.255 1.00 0.62 C ATOM 127 O ALA A 8 -11.301 -0.086 -5.316 1.00 0.70 O ATOM 128 CB ALA A 8 -14.118 1.397 -5.572 1.00 0.81 C ATOM 0 H ALA A 8 -15.472 -0.703 -6.100 1.00 0.87 H new ATOM 0 HA ALA A 8 -13.070 0.437 -7.171 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -13.343 2.150 -5.426 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -14.894 1.797 -6.225 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -14.554 1.133 -4.609 1.00 0.81 H new ATOM 134 N LEU A 9 -12.919 -1.276 -4.384 1.00 0.59 N ATOM 135 CA LEU A 9 -11.964 -1.873 -3.413 1.00 0.73 C ATOM 136 C LEU A 9 -11.005 -2.745 -4.206 1.00 0.60 C ATOM 137 O LEU A 9 -9.904 -3.002 -3.769 1.00 0.61 O ATOM 138 CB LEU A 9 -12.729 -2.725 -2.392 1.00 1.09 C ATOM 139 CG LEU A 9 -12.146 -2.497 -0.971 1.00 1.65 C ATOM 140 CD1 LEU A 9 -12.464 -1.080 -0.459 1.00 1.96 C ATOM 141 CD2 LEU A 9 -12.765 -3.520 -0.007 1.00 2.37 C ATOM 0 H LEU A 9 -13.888 -1.584 -4.302 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.421 -1.098 -2.871 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -13.787 -2.463 -2.407 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -12.658 -3.779 -2.659 1.00 1.09 H new ATOM 0 HG LEU A 9 -11.064 -2.615 -1.020 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -12.043 -0.950 0.538 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -12.030 -0.343 -1.135 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -13.544 -0.942 -0.417 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -12.361 -3.367 0.994 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -13.847 -3.391 0.015 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -12.527 -4.529 -0.345 1.00 2.37 H new ATOM 153 N ASN A 10 -11.423 -3.190 -5.357 1.00 0.60 N ATOM 154 CA ASN A 10 -10.487 -4.037 -6.150 1.00 0.63 C ATOM 155 C ASN A 10 -9.285 -3.201 -6.508 1.00 0.57 C ATOM 156 O ASN A 10 -8.196 -3.714 -6.648 1.00 0.57 O ATOM 157 CB ASN A 10 -11.084 -4.518 -7.475 1.00 0.76 C ATOM 158 CG ASN A 10 -12.125 -5.607 -7.220 1.00 1.34 C ATOM 159 OD1 ASN A 10 -12.183 -6.589 -7.935 1.00 1.67 O ATOM 160 ND2 ASN A 10 -12.959 -5.490 -6.224 1.00 2.15 N ATOM 0 H ASN A 10 -12.338 -3.014 -5.773 1.00 0.60 H new ATOM 0 HA ASN A 10 -10.250 -4.906 -5.536 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -11.544 -3.681 -8.000 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -10.294 -4.904 -8.120 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -13.652 -6.218 -6.051 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -12.918 -4.670 -5.618 1.00 2.15 H new ATOM 167 N MET A 11 -9.511 -1.928 -6.650 1.00 0.60 N ATOM 168 CA MET A 11 -8.366 -1.059 -7.004 1.00 0.65 C ATOM 169 C MET A 11 -7.404 -1.136 -5.834 1.00 0.62 C ATOM 170 O MET A 11 -6.213 -1.301 -6.007 1.00 0.68 O ATOM 171 CB MET A 11 -8.838 0.383 -7.193 1.00 0.77 C ATOM 172 CG MET A 11 -7.688 1.214 -7.770 1.00 1.18 C ATOM 173 SD MET A 11 -8.015 2.967 -8.076 1.00 1.98 S ATOM 174 CE MET A 11 -8.823 2.790 -9.686 1.00 2.42 C ATOM 0 H MET A 11 -10.413 -1.464 -6.540 1.00 0.60 H new ATOM 0 HA MET A 11 -7.896 -1.379 -7.934 1.00 0.65 H new ATOM 0 HB2 MET A 11 -9.697 0.413 -7.863 1.00 0.77 H new ATOM 0 HB3 MET A 11 -9.163 0.801 -6.240 1.00 0.77 H new ATOM 0 HG2 MET A 11 -6.842 1.141 -7.087 1.00 1.18 H new ATOM 0 HG3 MET A 11 -7.379 0.758 -8.710 1.00 1.18 H new ATOM 0 HE1 MET A 11 -9.110 3.773 -10.059 1.00 2.42 H new ATOM 0 HE2 MET A 11 -8.134 2.322 -10.389 1.00 2.42 H new ATOM 0 HE3 MET A 11 -9.712 2.169 -9.580 1.00 2.42 H new ATOM 184 N ALA A 12 -7.962 -1.018 -4.664 1.00 0.58 N ATOM 185 CA ALA A 12 -7.107 -1.072 -3.447 1.00 0.62 C ATOM 186 C ALA A 12 -6.416 -2.421 -3.404 1.00 0.56 C ATOM 187 O ALA A 12 -5.298 -2.544 -2.948 1.00 0.57 O ATOM 188 CB ALA A 12 -7.952 -0.926 -2.178 1.00 0.67 C ATOM 0 H ALA A 12 -8.960 -0.888 -4.497 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.385 -0.256 -3.489 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.304 -0.969 -1.303 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.474 0.031 -2.197 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.680 -1.736 -2.130 1.00 0.67 H new ATOM 194 N ARG A 13 -7.112 -3.406 -3.887 1.00 0.53 N ATOM 195 CA ARG A 13 -6.530 -4.767 -3.872 1.00 0.50 C ATOM 196 C ARG A 13 -5.273 -4.747 -4.716 1.00 0.49 C ATOM 197 O ARG A 13 -4.298 -5.386 -4.379 1.00 0.51 O ATOM 198 CB ARG A 13 -7.501 -5.769 -4.478 1.00 0.51 C ATOM 199 CG ARG A 13 -7.040 -7.199 -4.174 1.00 0.61 C ATOM 200 CD ARG A 13 -7.835 -8.131 -5.089 1.00 1.07 C ATOM 201 NE ARG A 13 -9.244 -7.661 -5.095 1.00 1.86 N ATOM 202 CZ ARG A 13 -9.927 -7.707 -6.213 1.00 2.52 C ATOM 203 NH1 ARG A 13 -9.452 -7.061 -7.258 1.00 3.08 N ATOM 204 NH2 ARG A 13 -11.049 -8.392 -6.232 1.00 3.15 N ATOM 0 H ARG A 13 -8.047 -3.328 -4.287 1.00 0.53 H new ATOM 0 HA ARG A 13 -6.316 -5.059 -2.844 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.501 -5.608 -4.075 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.564 -5.620 -5.556 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.970 -7.305 -4.352 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.215 -7.446 -3.127 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -7.423 -8.119 -6.098 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -7.776 -9.159 -4.732 1.00 1.07 H new ATOM 0 HE ARG A 13 -9.674 -7.307 -4.241 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -8.576 -6.544 -7.183 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -9.960 -7.078 -8.142 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -11.368 -8.871 -5.390 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -11.600 -8.444 -7.089 1.00 3.15 H new ATOM 218 N PHE A 14 -5.315 -4.021 -5.795 1.00 0.52 N ATOM 219 CA PHE A 14 -4.112 -3.986 -6.667 1.00 0.54 C ATOM 220 C PHE A 14 -2.963 -3.343 -5.933 1.00 0.57 C ATOM 221 O PHE A 14 -1.833 -3.751 -6.095 1.00 0.59 O ATOM 222 CB PHE A 14 -4.369 -3.173 -7.919 1.00 0.62 C ATOM 223 CG PHE A 14 -5.618 -3.675 -8.645 1.00 1.17 C ATOM 224 CD1 PHE A 14 -6.015 -5.002 -8.607 1.00 2.02 C ATOM 225 CD2 PHE A 14 -6.366 -2.767 -9.359 1.00 1.81 C ATOM 226 CE1 PHE A 14 -7.152 -5.404 -9.282 1.00 2.69 C ATOM 227 CE2 PHE A 14 -7.500 -3.168 -10.033 1.00 2.50 C ATOM 228 CZ PHE A 14 -7.896 -4.486 -9.994 1.00 2.71 C ATOM 0 H PHE A 14 -6.110 -3.463 -6.106 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.875 -5.015 -6.938 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -4.493 -2.122 -7.657 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -3.507 -3.236 -8.583 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -5.435 -5.723 -8.049 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -6.062 -1.731 -9.392 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -7.459 -6.439 -9.252 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -8.078 -2.447 -10.592 1.00 2.50 H new ATOM 0 HZ PHE A 14 -8.786 -4.800 -10.519 1.00 2.71 H new ATOM 238 N ILE A 15 -3.279 -2.355 -5.150 1.00 0.58 N ATOM 239 CA ILE A 15 -2.197 -1.672 -4.404 1.00 0.63 C ATOM 240 C ILE A 15 -1.527 -2.721 -3.539 1.00 0.59 C ATOM 241 O ILE A 15 -0.321 -2.862 -3.508 1.00 0.62 O ATOM 242 CB ILE A 15 -2.810 -0.567 -3.533 1.00 0.69 C ATOM 243 CG1 ILE A 15 -3.631 0.365 -4.444 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.686 0.213 -2.843 1.00 0.82 C ATOM 245 CD1 ILE A 15 -4.189 1.540 -3.634 1.00 0.93 C ATOM 0 H ILE A 15 -4.222 -1.997 -4.997 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.470 -1.214 -5.075 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.458 -0.993 -2.767 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -3.005 0.738 -5.255 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -4.449 -0.191 -4.903 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -2.116 0.999 -2.223 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -1.104 -0.464 -2.218 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -1.037 0.659 -3.597 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -4.767 2.191 -4.289 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.832 1.161 -2.839 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -3.365 2.104 -3.197 1.00 0.93 H new ATOM 257 N ARG A 16 -2.356 -3.444 -2.851 1.00 0.58 N ATOM 258 CA ARG A 16 -1.799 -4.480 -1.962 1.00 0.58 C ATOM 259 C ARG A 16 -1.052 -5.519 -2.778 1.00 0.55 C ATOM 260 O ARG A 16 -0.027 -6.018 -2.362 1.00 0.56 O ATOM 261 CB ARG A 16 -2.944 -5.127 -1.194 1.00 0.60 C ATOM 262 CG ARG A 16 -2.362 -6.211 -0.301 1.00 0.82 C ATOM 263 CD ARG A 16 -2.624 -7.585 -0.923 1.00 1.04 C ATOM 264 NE ARG A 16 -4.095 -7.761 -1.063 1.00 1.57 N ATOM 265 CZ ARG A 16 -4.536 -8.676 -1.890 1.00 2.08 C ATOM 266 NH1 ARG A 16 -4.142 -8.605 -3.147 1.00 2.68 N ATOM 267 NH2 ARG A 16 -5.339 -9.608 -1.419 1.00 2.60 N ATOM 0 H ARG A 16 -3.373 -3.364 -2.866 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.096 -4.031 -1.260 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.469 -4.383 -0.596 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.672 -5.553 -1.884 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.290 -6.056 -0.175 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -2.810 -6.158 0.691 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -2.138 -7.660 -1.896 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -2.205 -8.372 -0.296 1.00 1.04 H new ATOM 0 HE ARG A 16 -4.744 -7.183 -0.528 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -3.516 -7.856 -3.444 1.00 2.68 H new ATOM 0 HH12 ARG A 16 -4.463 -9.299 -3.822 1.00 2.68 H new ATOM 0 HH21 ARG A 16 -5.602 -9.604 -0.433 1.00 2.60 H new ATOM 0 HH22 ARG A 16 -5.698 -10.333 -2.040 1.00 2.60 H new ATOM 281 N SER A 17 -1.563 -5.837 -3.927 1.00 0.57 N ATOM 282 CA SER A 17 -0.855 -6.855 -4.730 1.00 0.60 C ATOM 283 C SER A 17 0.502 -6.275 -5.110 1.00 0.56 C ATOM 284 O SER A 17 1.478 -6.990 -5.210 1.00 0.55 O ATOM 285 CB SER A 17 -1.700 -7.153 -5.951 1.00 0.68 C ATOM 286 OG SER A 17 -2.971 -7.440 -5.377 1.00 0.72 O ATOM 0 H SER A 17 -2.414 -5.449 -4.334 1.00 0.57 H new ATOM 0 HA SER A 17 -0.699 -7.785 -4.184 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.744 -6.303 -6.632 1.00 0.68 H new ATOM 0 HB3 SER A 17 -1.310 -7.998 -6.519 1.00 0.68 H new ATOM 0 HG SER A 17 -3.497 -6.615 -5.317 1.00 0.72 H new ATOM 292 N GLN A 18 0.541 -4.990 -5.314 1.00 0.57 N ATOM 293 CA GLN A 18 1.852 -4.394 -5.674 1.00 0.57 C ATOM 294 C GLN A 18 2.757 -4.607 -4.473 1.00 0.51 C ATOM 295 O GLN A 18 3.940 -4.831 -4.614 1.00 0.51 O ATOM 296 CB GLN A 18 1.731 -2.886 -5.927 1.00 0.65 C ATOM 297 CG GLN A 18 3.072 -2.375 -6.466 1.00 0.91 C ATOM 298 CD GLN A 18 3.077 -0.847 -6.432 1.00 1.11 C ATOM 299 OE1 GLN A 18 4.125 -0.232 -6.455 1.00 1.80 O ATOM 300 NE2 GLN A 18 1.949 -0.194 -6.375 1.00 1.05 N ATOM 0 H GLN A 18 -0.248 -4.347 -5.250 1.00 0.57 H new ATOM 0 HA GLN A 18 2.236 -4.856 -6.584 1.00 0.57 H new ATOM 0 HB2 GLN A 18 0.934 -2.685 -6.642 1.00 0.65 H new ATOM 0 HB3 GLN A 18 1.471 -2.367 -5.005 1.00 0.65 H new ATOM 0 HG2 GLN A 18 3.892 -2.767 -5.865 1.00 0.91 H new ATOM 0 HG3 GLN A 18 3.227 -2.729 -7.485 1.00 0.91 H new ATOM 0 HE21 GLN A 18 1.065 -0.703 -6.355 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.951 0.826 -6.350 1.00 1.05 H new ATOM 309 N THR A 19 2.185 -4.535 -3.307 1.00 0.48 N ATOM 310 CA THR A 19 3.036 -4.718 -2.110 1.00 0.44 C ATOM 311 C THR A 19 3.698 -6.100 -2.173 1.00 0.43 C ATOM 312 O THR A 19 4.764 -6.298 -1.622 1.00 0.46 O ATOM 313 CB THR A 19 2.145 -4.578 -0.882 1.00 0.46 C ATOM 314 OG1 THR A 19 1.300 -3.466 -1.169 1.00 0.56 O ATOM 315 CG2 THR A 19 2.974 -4.120 0.330 1.00 0.48 C ATOM 0 H THR A 19 1.195 -4.363 -3.135 1.00 0.48 H new ATOM 0 HA THR A 19 3.829 -3.972 -2.062 1.00 0.44 H new ATOM 0 HB THR A 19 1.638 -5.520 -0.673 1.00 0.46 H new ATOM 0 HG1 THR A 19 0.805 -3.215 -0.362 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.324 -4.024 1.200 1.00 0.48 H new ATOM 0 HG22 THR A 19 3.752 -4.855 0.537 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.434 -3.156 0.113 1.00 0.48 H new ATOM 323 N LEU A 20 3.065 -7.025 -2.838 1.00 0.45 N ATOM 324 CA LEU A 20 3.701 -8.362 -2.920 1.00 0.51 C ATOM 325 C LEU A 20 5.006 -8.150 -3.663 1.00 0.53 C ATOM 326 O LEU A 20 6.040 -8.645 -3.272 1.00 0.57 O ATOM 327 CB LEU A 20 2.829 -9.339 -3.720 1.00 0.57 C ATOM 328 CG LEU A 20 3.515 -10.724 -3.828 1.00 0.69 C ATOM 329 CD1 LEU A 20 3.727 -11.348 -2.433 1.00 1.31 C ATOM 330 CD2 LEU A 20 2.617 -11.652 -4.660 1.00 1.25 C ATOM 0 H LEU A 20 2.168 -6.919 -3.311 1.00 0.45 H new ATOM 0 HA LEU A 20 3.843 -8.783 -1.925 1.00 0.51 H new ATOM 0 HB2 LEU A 20 1.857 -9.446 -3.238 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.647 -8.939 -4.718 1.00 0.57 H new ATOM 0 HG LEU A 20 4.489 -10.599 -4.301 1.00 0.69 H new ATOM 0 HD11 LEU A 20 4.210 -12.319 -2.539 1.00 1.31 H new ATOM 0 HD12 LEU A 20 4.358 -10.692 -1.833 1.00 1.31 H new ATOM 0 HD13 LEU A 20 2.763 -11.474 -1.940 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.086 -12.632 -4.745 1.00 1.25 H new ATOM 0 HD22 LEU A 20 1.648 -11.755 -4.171 1.00 1.25 H new ATOM 0 HD23 LEU A 20 2.478 -11.228 -5.655 1.00 1.25 H new ATOM 342 N THR A 21 4.917 -7.402 -4.721 1.00 0.59 N ATOM 343 CA THR A 21 6.131 -7.147 -5.525 1.00 0.70 C ATOM 344 C THR A 21 7.200 -6.479 -4.652 1.00 0.63 C ATOM 345 O THR A 21 8.387 -6.647 -4.859 1.00 0.69 O ATOM 346 CB THR A 21 5.697 -6.268 -6.679 1.00 0.85 C ATOM 347 OG1 THR A 21 4.435 -6.825 -7.031 1.00 0.87 O ATOM 348 CG2 THR A 21 6.581 -6.518 -7.910 1.00 1.02 C ATOM 0 H THR A 21 4.062 -6.960 -5.060 1.00 0.59 H new ATOM 0 HA THR A 21 6.578 -8.065 -5.907 1.00 0.70 H new ATOM 0 HB THR A 21 5.720 -5.211 -6.412 1.00 0.85 H new ATOM 0 HG1 THR A 21 4.054 -6.323 -7.781 1.00 0.87 H new ATOM 0 HG21 THR A 21 6.254 -5.877 -8.729 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.619 -6.292 -7.665 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.499 -7.562 -8.211 1.00 1.02 H new ATOM 356 N LEU A 22 6.768 -5.723 -3.684 1.00 0.54 N ATOM 357 CA LEU A 22 7.790 -5.075 -2.825 1.00 0.52 C ATOM 358 C LEU A 22 8.454 -6.155 -2.006 1.00 0.45 C ATOM 359 O LEU A 22 9.629 -6.074 -1.722 1.00 0.49 O ATOM 360 CB LEU A 22 7.148 -4.059 -1.872 1.00 0.59 C ATOM 361 CG LEU A 22 7.007 -2.664 -2.526 1.00 0.89 C ATOM 362 CD1 LEU A 22 8.394 -2.003 -2.604 1.00 1.71 C ATOM 363 CD2 LEU A 22 6.439 -2.770 -3.954 1.00 1.25 C ATOM 0 H LEU A 22 5.792 -5.531 -3.457 1.00 0.54 H new ATOM 0 HA LEU A 22 8.508 -4.548 -3.454 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.165 -4.418 -1.567 1.00 0.59 H new ATOM 0 HB3 LEU A 22 7.752 -3.977 -0.968 1.00 0.59 H new ATOM 0 HG LEU A 22 6.323 -2.071 -1.918 1.00 0.89 H new ATOM 0 HD11 LEU A 22 8.303 -1.019 -3.064 1.00 1.71 H new ATOM 0 HD12 LEU A 22 8.804 -1.897 -1.599 1.00 1.71 H new ATOM 0 HD13 LEU A 22 9.060 -2.624 -3.204 1.00 1.71 H new ATOM 0 HD21 LEU A 22 6.352 -1.773 -4.386 1.00 1.25 H new ATOM 0 HD22 LEU A 22 7.107 -3.374 -4.567 1.00 1.25 H new ATOM 0 HD23 LEU A 22 5.455 -3.238 -3.920 1.00 1.25 H new ATOM 375 N LEU A 23 7.692 -7.144 -1.644 1.00 0.43 N ATOM 376 CA LEU A 23 8.305 -8.224 -0.835 1.00 0.44 C ATOM 377 C LEU A 23 9.399 -8.838 -1.674 1.00 0.48 C ATOM 378 O LEU A 23 10.481 -9.095 -1.191 1.00 0.52 O ATOM 379 CB LEU A 23 7.287 -9.311 -0.510 1.00 0.53 C ATOM 380 CG LEU A 23 7.945 -10.421 0.332 1.00 0.73 C ATOM 381 CD1 LEU A 23 8.279 -9.873 1.734 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.949 -11.581 0.449 1.00 1.05 C ATOM 0 H LEU A 23 6.702 -7.251 -1.865 1.00 0.43 H new ATOM 0 HA LEU A 23 8.681 -7.812 0.101 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.446 -8.881 0.035 1.00 0.53 H new ATOM 0 HB3 LEU A 23 6.887 -9.733 -1.432 1.00 0.53 H new ATOM 0 HG LEU A 23 8.867 -10.763 -0.139 1.00 0.73 H new ATOM 0 HD11 LEU A 23 8.745 -10.658 2.330 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.966 -9.032 1.642 1.00 1.08 H new ATOM 0 HD13 LEU A 23 7.363 -9.541 2.223 1.00 1.08 H new ATOM 0 HD21 LEU A 23 7.391 -12.382 1.042 1.00 1.05 H new ATOM 0 HD22 LEU A 23 6.038 -11.231 0.934 1.00 1.05 H new ATOM 0 HD23 LEU A 23 6.709 -11.956 -0.546 1.00 1.05 H new ATOM 394 N GLU A 24 9.066 -9.052 -2.913 1.00 0.57 N ATOM 395 CA GLU A 24 10.046 -9.664 -3.839 1.00 0.71 C ATOM 396 C GLU A 24 11.352 -8.898 -3.796 1.00 0.67 C ATOM 397 O GLU A 24 12.361 -9.376 -3.328 1.00 0.69 O ATOM 398 CB GLU A 24 9.540 -9.614 -5.265 1.00 0.90 C ATOM 399 CG GLU A 24 8.181 -10.265 -5.402 1.00 1.37 C ATOM 400 CD GLU A 24 7.706 -9.980 -6.825 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.475 -9.362 -7.545 1.00 1.84 O ATOM 402 OE2 GLU A 24 6.597 -10.391 -7.109 1.00 1.83 O ATOM 0 H GLU A 24 8.158 -8.829 -3.322 1.00 0.57 H new ATOM 0 HA GLU A 24 10.191 -10.698 -3.526 1.00 0.71 H new ATOM 0 HB2 GLU A 24 9.481 -8.576 -5.594 1.00 0.90 H new ATOM 0 HB3 GLU A 24 10.251 -10.116 -5.921 1.00 0.90 H new ATOM 0 HG2 GLU A 24 8.245 -11.338 -5.222 1.00 1.37 H new ATOM 0 HG3 GLU A 24 7.481 -9.860 -4.671 1.00 1.37 H new ATOM 409 N LYS A 25 11.275 -7.702 -4.292 1.00 0.67 N ATOM 410 CA LYS A 25 12.484 -6.851 -4.369 1.00 0.72 C ATOM 411 C LYS A 25 13.187 -6.688 -3.032 1.00 0.68 C ATOM 412 O LYS A 25 14.381 -6.867 -2.948 1.00 0.75 O ATOM 413 CB LYS A 25 12.055 -5.489 -4.924 1.00 0.81 C ATOM 414 CG LYS A 25 11.354 -5.721 -6.292 1.00 0.95 C ATOM 415 CD LYS A 25 12.374 -6.177 -7.351 1.00 1.36 C ATOM 416 CE LYS A 25 11.722 -7.254 -8.247 1.00 1.57 C ATOM 417 NZ LYS A 25 11.326 -8.443 -7.451 1.00 1.86 N ATOM 0 H LYS A 25 10.421 -7.275 -4.650 1.00 0.67 H new ATOM 0 HA LYS A 25 13.211 -7.334 -5.022 1.00 0.72 H new ATOM 0 HB2 LYS A 25 11.378 -4.992 -4.229 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.921 -4.838 -5.046 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.573 -6.473 -6.184 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.868 -4.802 -6.619 1.00 0.95 H new ATOM 0 HD2 LYS A 25 12.694 -5.328 -7.955 1.00 1.36 H new ATOM 0 HD3 LYS A 25 13.265 -6.578 -6.868 1.00 1.36 H new ATOM 0 HE2 LYS A 25 10.846 -6.837 -8.744 1.00 1.57 H new ATOM 0 HE3 LYS A 25 12.420 -7.552 -9.029 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 11.812 -9.285 -7.820 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 11.591 -8.298 -6.456 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 10.297 -8.579 -7.519 1.00 1.86 H new ATOM 431 N LEU A 26 12.469 -6.357 -2.005 1.00 0.65 N ATOM 432 CA LEU A 26 13.171 -6.186 -0.706 1.00 0.67 C ATOM 433 C LEU A 26 13.844 -7.494 -0.329 1.00 0.65 C ATOM 434 O LEU A 26 14.911 -7.507 0.247 1.00 0.73 O ATOM 435 CB LEU A 26 12.158 -5.792 0.365 1.00 0.68 C ATOM 436 CG LEU A 26 11.563 -4.406 0.008 1.00 0.80 C ATOM 437 CD1 LEU A 26 10.366 -4.127 0.919 1.00 1.21 C ATOM 438 CD2 LEU A 26 12.611 -3.298 0.227 1.00 1.22 C ATOM 0 H LEU A 26 11.461 -6.201 -2.001 1.00 0.65 H new ATOM 0 HA LEU A 26 13.926 -5.404 -0.789 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.365 -6.538 0.427 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.638 -5.755 1.343 1.00 0.68 H new ATOM 0 HG LEU A 26 11.258 -4.414 -1.039 1.00 0.80 H new ATOM 0 HD11 LEU A 26 9.942 -3.153 0.674 1.00 1.21 H new ATOM 0 HD12 LEU A 26 9.610 -4.899 0.774 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.692 -4.129 1.959 1.00 1.21 H new ATOM 0 HD21 LEU A 26 12.177 -2.331 -0.028 1.00 1.22 H new ATOM 0 HD22 LEU A 26 12.921 -3.292 1.272 1.00 1.22 H new ATOM 0 HD23 LEU A 26 13.477 -3.486 -0.408 1.00 1.22 H new ATOM 450 N ASN A 27 13.208 -8.573 -0.669 1.00 0.60 N ATOM 451 CA ASN A 27 13.803 -9.891 -0.324 1.00 0.66 C ATOM 452 C ASN A 27 15.028 -10.129 -1.188 1.00 0.68 C ATOM 453 O ASN A 27 16.004 -10.708 -0.760 1.00 0.79 O ATOM 454 CB ASN A 27 12.781 -10.984 -0.575 1.00 0.76 C ATOM 455 CG ASN A 27 13.458 -12.333 -0.377 1.00 1.02 C ATOM 456 OD1 ASN A 27 14.036 -12.613 0.655 1.00 1.70 O ATOM 457 ND2 ASN A 27 13.404 -13.202 -1.345 1.00 1.70 N ATOM 0 H ASN A 27 12.316 -8.604 -1.163 1.00 0.60 H new ATOM 0 HA ASN A 27 14.093 -9.901 0.727 1.00 0.66 H new ATOM 0 HB2 ASN A 27 11.939 -10.879 0.109 1.00 0.76 H new ATOM 0 HB3 ASN A 27 12.383 -10.905 -1.586 1.00 0.76 H new ATOM 0 HD21 ASN A 27 13.846 -14.115 -1.236 1.00 1.70 H new ATOM 0 HD22 ASN A 27 12.920 -12.970 -2.212 1.00 1.70 H new ATOM 464 N GLU A 28 14.950 -9.667 -2.401 1.00 0.70 N ATOM 465 CA GLU A 28 16.086 -9.850 -3.338 1.00 0.83 C ATOM 466 C GLU A 28 17.228 -8.952 -2.894 1.00 0.86 C ATOM 467 O GLU A 28 18.380 -9.210 -3.176 1.00 0.97 O ATOM 468 CB GLU A 28 15.601 -9.479 -4.729 1.00 1.00 C ATOM 469 CG GLU A 28 14.552 -10.514 -5.132 1.00 1.12 C ATOM 470 CD GLU A 28 13.651 -9.941 -6.217 1.00 1.86 C ATOM 471 OE1 GLU A 28 14.020 -8.944 -6.813 1.00 2.24 O ATOM 472 OE2 GLU A 28 12.610 -10.540 -6.399 1.00 2.61 O ATOM 0 H GLU A 28 14.146 -9.169 -2.784 1.00 0.70 H new ATOM 0 HA GLU A 28 16.444 -10.880 -3.347 1.00 0.83 H new ATOM 0 HB2 GLU A 28 15.174 -8.476 -4.733 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.430 -9.475 -5.437 1.00 1.00 H new ATOM 0 HG2 GLU A 28 15.041 -11.419 -5.493 1.00 1.12 H new ATOM 0 HG3 GLU A 28 13.956 -10.798 -4.265 1.00 1.12 H new ATOM 479 N LEU A 29 16.870 -7.910 -2.204 1.00 0.84 N ATOM 480 CA LEU A 29 17.905 -6.965 -1.717 1.00 0.98 C ATOM 481 C LEU A 29 18.375 -7.407 -0.344 1.00 1.03 C ATOM 482 O LEU A 29 19.008 -6.637 0.352 1.00 1.19 O ATOM 483 CB LEU A 29 17.301 -5.556 -1.651 1.00 1.02 C ATOM 484 CG LEU A 29 17.475 -4.813 -3.004 1.00 1.07 C ATOM 485 CD1 LEU A 29 17.096 -5.687 -4.220 1.00 1.79 C ATOM 486 CD2 LEU A 29 16.545 -3.589 -2.994 1.00 1.43 C ATOM 0 H LEU A 29 15.909 -7.673 -1.957 1.00 0.84 H new ATOM 0 HA LEU A 29 18.759 -6.954 -2.394 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.242 -5.622 -1.401 1.00 1.02 H new ATOM 0 HB3 LEU A 29 17.782 -4.987 -0.855 1.00 1.02 H new ATOM 0 HG LEU A 29 18.526 -4.542 -3.103 1.00 1.07 H new ATOM 0 HD11 LEU A 29 17.238 -5.115 -5.137 1.00 1.79 H new ATOM 0 HD12 LEU A 29 17.730 -6.573 -4.243 1.00 1.79 H new ATOM 0 HD13 LEU A 29 16.052 -5.990 -4.139 1.00 1.79 H new ATOM 0 HD21 LEU A 29 16.647 -3.047 -3.934 1.00 1.43 H new ATOM 0 HD22 LEU A 29 15.513 -3.917 -2.874 1.00 1.43 H new ATOM 0 HD23 LEU A 29 16.815 -2.933 -2.166 1.00 1.43 H new ATOM 498 N ASP A 30 18.047 -8.627 -0.006 1.00 0.98 N ATOM 499 CA ASP A 30 18.437 -9.212 1.315 1.00 1.11 C ATOM 500 C ASP A 30 18.086 -8.216 2.403 1.00 1.16 C ATOM 501 O ASP A 30 18.737 -8.091 3.420 1.00 1.63 O ATOM 502 CB ASP A 30 19.946 -9.492 1.361 1.00 1.35 C ATOM 503 CG ASP A 30 20.280 -10.270 2.641 1.00 1.82 C ATOM 504 OD1 ASP A 30 19.421 -11.027 3.067 1.00 2.45 O ATOM 505 OD2 ASP A 30 21.385 -10.065 3.117 1.00 2.23 O ATOM 0 H ASP A 30 17.513 -9.258 -0.603 1.00 0.98 H new ATOM 0 HA ASP A 30 17.904 -10.152 1.462 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.248 -10.065 0.484 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.502 -8.555 1.336 1.00 1.35 H new ATOM 510 N ALA A 31 17.031 -7.504 2.151 1.00 0.84 N ATOM 511 CA ALA A 31 16.585 -6.493 3.139 1.00 0.87 C ATOM 512 C ALA A 31 15.584 -7.215 4.004 1.00 0.76 C ATOM 513 O ALA A 31 14.427 -6.851 4.017 1.00 0.75 O ATOM 514 CB ALA A 31 15.904 -5.325 2.435 1.00 0.89 C ATOM 0 H ALA A 31 16.460 -7.577 1.309 1.00 0.84 H new ATOM 0 HA ALA A 31 17.419 -6.086 3.710 1.00 0.87 H new ATOM 0 HB1 ALA A 31 15.583 -4.592 3.175 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.605 -4.859 1.743 1.00 0.89 H new ATOM 0 HB3 ALA A 31 15.037 -5.688 1.884 1.00 0.89 H new ATOM 520 N ASP A 32 16.074 -8.212 4.687 1.00 0.85 N ATOM 521 CA ASP A 32 15.208 -9.035 5.580 1.00 0.87 C ATOM 522 C ASP A 32 14.281 -8.187 6.404 1.00 0.79 C ATOM 523 O ASP A 32 13.079 -8.325 6.353 1.00 0.74 O ATOM 524 CB ASP A 32 16.034 -9.840 6.554 1.00 1.11 C ATOM 525 CG ASP A 32 15.055 -10.400 7.583 1.00 2.05 C ATOM 526 OD1 ASP A 32 14.209 -11.169 7.162 1.00 2.83 O ATOM 527 OD2 ASP A 32 15.218 -10.019 8.730 1.00 2.57 O ATOM 0 H ASP A 32 17.053 -8.496 4.664 1.00 0.85 H new ATOM 0 HA ASP A 32 14.638 -9.685 4.916 1.00 0.87 H new ATOM 0 HB2 ASP A 32 16.564 -10.644 6.043 1.00 1.11 H new ATOM 0 HB3 ASP A 32 16.788 -9.216 7.034 1.00 1.11 H new ATOM 532 N GLU A 33 14.879 -7.316 7.154 1.00 0.86 N ATOM 533 CA GLU A 33 14.048 -6.443 8.014 1.00 0.90 C ATOM 534 C GLU A 33 12.965 -5.733 7.214 1.00 0.78 C ATOM 535 O GLU A 33 11.798 -5.813 7.540 1.00 0.79 O ATOM 536 CB GLU A 33 14.944 -5.413 8.693 1.00 1.07 C ATOM 537 CG GLU A 33 16.177 -5.130 7.822 1.00 1.58 C ATOM 538 CD GLU A 33 16.923 -3.954 8.436 1.00 1.74 C ATOM 539 OE1 GLU A 33 16.232 -3.083 8.938 1.00 2.15 O ATOM 540 OE2 GLU A 33 18.137 -3.996 8.363 1.00 2.11 O ATOM 0 H GLU A 33 15.887 -7.171 7.210 1.00 0.86 H new ATOM 0 HA GLU A 33 13.555 -7.066 8.760 1.00 0.90 H new ATOM 0 HB2 GLU A 33 14.388 -4.490 8.861 1.00 1.07 H new ATOM 0 HB3 GLU A 33 15.256 -5.779 9.671 1.00 1.07 H new ATOM 0 HG2 GLU A 33 16.821 -6.008 7.775 1.00 1.58 H new ATOM 0 HG3 GLU A 33 15.877 -4.900 6.800 1.00 1.58 H new ATOM 547 N GLN A 34 13.340 -5.043 6.175 1.00 0.71 N ATOM 548 CA GLN A 34 12.264 -4.357 5.417 1.00 0.67 C ATOM 549 C GLN A 34 11.351 -5.380 4.767 1.00 0.57 C ATOM 550 O GLN A 34 10.240 -5.053 4.402 1.00 0.53 O ATOM 551 CB GLN A 34 12.813 -3.470 4.287 1.00 0.72 C ATOM 552 CG GLN A 34 13.447 -2.188 4.833 1.00 0.88 C ATOM 553 CD GLN A 34 14.916 -2.444 5.146 1.00 1.49 C ATOM 554 OE1 GLN A 34 15.732 -2.508 4.249 1.00 2.26 O ATOM 555 NE2 GLN A 34 15.297 -2.592 6.381 1.00 1.80 N ATOM 0 H GLN A 34 14.293 -4.927 5.832 1.00 0.71 H new ATOM 0 HA GLN A 34 11.732 -3.738 6.139 1.00 0.67 H new ATOM 0 HB2 GLN A 34 13.554 -4.027 3.714 1.00 0.72 H new ATOM 0 HB3 GLN A 34 12.006 -3.214 3.601 1.00 0.72 H new ATOM 0 HG2 GLN A 34 13.354 -1.384 4.103 1.00 0.88 H new ATOM 0 HG3 GLN A 34 12.923 -1.864 5.732 1.00 0.88 H new ATOM 0 HE21 GLN A 34 14.613 -2.539 7.136 1.00 1.80 H new ATOM 0 HE22 GLN A 34 16.280 -2.761 6.595 1.00 1.80 H new ATOM 564 N ALA A 35 11.818 -6.588 4.629 1.00 0.58 N ATOM 565 CA ALA A 35 10.941 -7.596 3.988 1.00 0.56 C ATOM 566 C ALA A 35 9.847 -7.878 4.988 1.00 0.56 C ATOM 567 O ALA A 35 8.696 -7.928 4.619 1.00 0.54 O ATOM 568 CB ALA A 35 11.695 -8.902 3.696 1.00 0.65 C ATOM 0 H ALA A 35 12.740 -6.912 4.923 1.00 0.58 H new ATOM 0 HA ALA A 35 10.565 -7.221 3.036 1.00 0.56 H new ATOM 0 HB1 ALA A 35 11.018 -9.616 3.226 1.00 0.65 H new ATOM 0 HB2 ALA A 35 12.530 -8.698 3.025 1.00 0.65 H new ATOM 0 HB3 ALA A 35 12.073 -9.320 4.629 1.00 0.65 H new ATOM 574 N ASP A 36 10.220 -8.053 6.224 1.00 0.62 N ATOM 575 CA ASP A 36 9.183 -8.329 7.263 1.00 0.67 C ATOM 576 C ASP A 36 8.170 -7.218 7.267 1.00 0.60 C ATOM 577 O ASP A 36 6.975 -7.425 7.195 1.00 0.62 O ATOM 578 CB ASP A 36 9.768 -8.371 8.654 1.00 0.79 C ATOM 579 CG ASP A 36 8.594 -8.162 9.609 1.00 1.21 C ATOM 580 OD1 ASP A 36 7.769 -9.058 9.658 1.00 1.67 O ATOM 581 OD2 ASP A 36 8.587 -7.113 10.233 1.00 1.65 O ATOM 0 H ASP A 36 11.183 -8.018 6.559 1.00 0.62 H new ATOM 0 HA ASP A 36 8.743 -9.295 7.017 1.00 0.67 H new ATOM 0 HB2 ASP A 36 10.259 -9.326 8.842 1.00 0.79 H new ATOM 0 HB3 ASP A 36 10.521 -7.594 8.785 1.00 0.79 H new ATOM 586 N ILE A 37 8.694 -6.035 7.358 1.00 0.55 N ATOM 587 CA ILE A 37 7.789 -4.873 7.372 1.00 0.52 C ATOM 588 C ILE A 37 6.957 -4.938 6.099 1.00 0.47 C ATOM 589 O ILE A 37 5.805 -4.557 6.093 1.00 0.50 O ATOM 590 CB ILE A 37 8.629 -3.580 7.415 1.00 0.53 C ATOM 591 CG1 ILE A 37 9.576 -3.577 8.644 1.00 0.68 C ATOM 592 CG2 ILE A 37 7.705 -2.349 7.463 1.00 0.57 C ATOM 593 CD1 ILE A 37 8.791 -3.596 9.963 1.00 1.12 C ATOM 0 H ILE A 37 9.691 -5.828 7.422 1.00 0.55 H new ATOM 0 HA ILE A 37 7.136 -4.880 8.245 1.00 0.52 H new ATOM 0 HB ILE A 37 9.236 -3.538 6.511 1.00 0.53 H new ATOM 0 HG12 ILE A 37 10.234 -4.445 8.599 1.00 0.68 H new ATOM 0 HG13 ILE A 37 10.212 -2.693 8.611 1.00 0.68 H new ATOM 0 HG21 ILE A 37 8.309 -1.442 7.493 1.00 0.57 H new ATOM 0 HG22 ILE A 37 7.072 -2.334 6.576 1.00 0.57 H new ATOM 0 HG23 ILE A 37 7.079 -2.398 8.354 1.00 0.57 H new ATOM 0 HD11 ILE A 37 9.488 -3.593 10.801 1.00 1.12 H new ATOM 0 HD12 ILE A 37 8.152 -2.714 10.019 1.00 1.12 H new ATOM 0 HD13 ILE A 37 8.174 -4.494 10.007 1.00 1.12 H new ATOM 605 N CYS A 38 7.547 -5.422 5.044 1.00 0.45 N ATOM 606 CA CYS A 38 6.768 -5.484 3.785 1.00 0.47 C ATOM 607 C CYS A 38 5.703 -6.551 3.906 1.00 0.50 C ATOM 608 O CYS A 38 4.655 -6.400 3.319 1.00 0.57 O ATOM 609 CB CYS A 38 7.665 -5.830 2.600 1.00 0.48 C ATOM 610 SG CYS A 38 6.904 -5.767 0.959 1.00 0.70 S ATOM 0 H CYS A 38 8.506 -5.767 4.999 1.00 0.45 H new ATOM 0 HA CYS A 38 6.318 -4.506 3.617 1.00 0.47 H new ATOM 0 HB2 CYS A 38 8.516 -5.149 2.607 1.00 0.48 H new ATOM 0 HB3 CYS A 38 8.060 -6.834 2.754 1.00 0.48 H new ATOM 0 HG CYS A 38 5.627 -5.988 1.064 1.00 0.70 H new ATOM 616 N GLU A 39 5.973 -7.591 4.641 1.00 0.54 N ATOM 617 CA GLU A 39 4.942 -8.652 4.778 1.00 0.62 C ATOM 618 C GLU A 39 3.788 -8.020 5.520 1.00 0.58 C ATOM 619 O GLU A 39 2.672 -7.958 5.052 1.00 0.57 O ATOM 620 CB GLU A 39 5.470 -9.828 5.610 1.00 0.75 C ATOM 621 CG GLU A 39 6.660 -10.510 4.935 1.00 1.35 C ATOM 622 CD GLU A 39 6.172 -11.476 3.855 1.00 2.07 C ATOM 623 OE1 GLU A 39 5.059 -11.292 3.391 1.00 2.82 O ATOM 624 OE2 GLU A 39 6.956 -12.359 3.558 1.00 2.39 O ATOM 0 H GLU A 39 6.846 -7.751 5.144 1.00 0.54 H new ATOM 0 HA GLU A 39 4.657 -9.033 3.798 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.767 -9.472 6.596 1.00 0.75 H new ATOM 0 HB3 GLU A 39 4.672 -10.555 5.760 1.00 0.75 H new ATOM 0 HG2 GLU A 39 7.316 -9.760 4.493 1.00 1.35 H new ATOM 0 HG3 GLU A 39 7.248 -11.050 5.677 1.00 1.35 H new ATOM 631 N SER A 40 4.110 -7.557 6.685 1.00 0.63 N ATOM 632 CA SER A 40 3.093 -6.915 7.539 1.00 0.64 C ATOM 633 C SER A 40 2.372 -5.795 6.780 1.00 0.58 C ATOM 634 O SER A 40 1.203 -5.538 6.982 1.00 0.63 O ATOM 635 CB SER A 40 3.849 -6.408 8.747 1.00 0.72 C ATOM 636 OG SER A 40 4.569 -7.574 9.129 1.00 0.77 O ATOM 0 H SER A 40 5.047 -7.597 7.086 1.00 0.63 H new ATOM 0 HA SER A 40 2.305 -7.606 7.841 1.00 0.64 H new ATOM 0 HB2 SER A 40 4.511 -5.578 8.500 1.00 0.72 H new ATOM 0 HB3 SER A 40 3.181 -6.060 9.535 1.00 0.72 H new ATOM 0 HG SER A 40 5.115 -7.377 9.919 1.00 0.77 H new ATOM 642 N LEU A 41 3.097 -5.153 5.911 1.00 0.54 N ATOM 643 CA LEU A 41 2.488 -4.039 5.140 1.00 0.53 C ATOM 644 C LEU A 41 1.576 -4.625 4.090 1.00 0.50 C ATOM 645 O LEU A 41 0.533 -4.092 3.777 1.00 0.55 O ATOM 646 CB LEU A 41 3.582 -3.245 4.460 1.00 0.56 C ATOM 647 CG LEU A 41 3.034 -1.992 3.751 1.00 0.63 C ATOM 648 CD1 LEU A 41 2.430 -1.008 4.773 1.00 1.05 C ATOM 649 CD2 LEU A 41 4.201 -1.315 3.018 1.00 1.22 C ATOM 0 H LEU A 41 4.076 -5.349 5.703 1.00 0.54 H new ATOM 0 HA LEU A 41 1.925 -3.386 5.807 1.00 0.53 H new ATOM 0 HB2 LEU A 41 4.326 -2.947 5.199 1.00 0.56 H new ATOM 0 HB3 LEU A 41 4.091 -3.879 3.734 1.00 0.56 H new ATOM 0 HG LEU A 41 2.249 -2.280 3.051 1.00 0.63 H new ATOM 0 HD11 LEU A 41 2.049 -0.130 4.251 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.615 -1.494 5.308 1.00 1.05 H new ATOM 0 HD13 LEU A 41 3.199 -0.703 5.483 1.00 1.05 H new ATOM 0 HD21 LEU A 41 3.841 -0.423 2.506 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.969 -1.034 3.738 1.00 1.22 H new ATOM 0 HD23 LEU A 41 4.623 -2.006 2.289 1.00 1.22 H new ATOM 661 N HIS A 42 2.029 -5.721 3.575 1.00 0.50 N ATOM 662 CA HIS A 42 1.276 -6.432 2.510 1.00 0.53 C ATOM 663 C HIS A 42 -0.068 -6.842 3.085 1.00 0.55 C ATOM 664 O HIS A 42 -1.098 -6.631 2.478 1.00 0.63 O ATOM 665 CB HIS A 42 2.081 -7.665 2.081 1.00 0.54 C ATOM 666 CG HIS A 42 1.547 -8.310 0.803 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.695 -7.807 -0.031 1.00 0.61 N ATOM 668 CD2 HIS A 42 1.859 -9.550 0.271 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.493 -8.649 -0.995 1.00 0.64 C ATOM 670 NE2 HIS A 42 1.195 -9.745 -0.847 1.00 1.13 N ATOM 0 H HIS A 42 2.905 -6.166 3.849 1.00 0.50 H new ATOM 0 HA HIS A 42 1.120 -5.796 1.639 1.00 0.53 H new ATOM 0 HB2 HIS A 42 3.122 -7.378 1.930 1.00 0.54 H new ATOM 0 HB3 HIS A 42 2.067 -8.400 2.886 1.00 0.54 H new ATOM 0 HD2 HIS A 42 2.548 -10.255 0.711 1.00 1.21 H new ATOM 0 HE1 HIS A 42 -0.176 -8.468 -1.823 1.00 0.64 H new ATOM 0 HE2 HIS A 42 1.221 -10.561 -1.458 1.00 1.13 H new ATOM 678 N ASP A 43 -0.011 -7.417 4.253 1.00 0.56 N ATOM 679 CA ASP A 43 -1.263 -7.874 4.914 1.00 0.64 C ATOM 680 C ASP A 43 -2.156 -6.701 5.198 1.00 0.60 C ATOM 681 O ASP A 43 -3.298 -6.673 4.796 1.00 0.62 O ATOM 682 CB ASP A 43 -0.975 -8.543 6.244 1.00 0.80 C ATOM 683 CG ASP A 43 -2.322 -8.899 6.866 1.00 1.22 C ATOM 684 OD1 ASP A 43 -2.780 -9.984 6.557 1.00 1.86 O ATOM 685 OD2 ASP A 43 -2.831 -8.084 7.613 1.00 1.51 O ATOM 0 H ASP A 43 0.847 -7.590 4.777 1.00 0.56 H new ATOM 0 HA ASP A 43 -1.740 -8.581 4.235 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -0.367 -9.437 6.102 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -0.413 -7.876 6.897 1.00 0.80 H new ATOM 690 N HIS A 44 -1.596 -5.759 5.896 1.00 0.60 N ATOM 691 CA HIS A 44 -2.369 -4.545 6.263 1.00 0.63 C ATOM 692 C HIS A 44 -2.996 -3.898 5.045 1.00 0.60 C ATOM 693 O HIS A 44 -4.126 -3.457 5.062 1.00 0.68 O ATOM 694 CB HIS A 44 -1.454 -3.527 6.926 1.00 0.65 C ATOM 695 CG HIS A 44 -2.262 -2.243 7.135 1.00 1.02 C ATOM 696 ND1 HIS A 44 -1.981 -1.084 6.631 1.00 1.67 N ATOM 697 CD2 HIS A 44 -3.420 -2.028 7.866 1.00 1.54 C ATOM 698 CE1 HIS A 44 -2.872 -0.223 7.006 1.00 2.24 C ATOM 699 NE2 HIS A 44 -3.784 -0.764 7.774 1.00 2.16 N ATOM 0 H HIS A 44 -0.632 -5.777 6.230 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.158 -4.856 6.948 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.086 -3.907 7.879 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -0.582 -3.333 6.302 1.00 0.65 H new ATOM 0 HD1 HIS A 44 -1.181 -0.881 6.031 1.00 1.67 H new ATOM 0 HD2 HIS A 44 -3.947 -2.785 8.428 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -2.864 0.818 6.719 1.00 2.24 H new ATOM 707 N ALA A 45 -2.233 -3.855 3.994 1.00 0.57 N ATOM 708 CA ALA A 45 -2.761 -3.219 2.765 1.00 0.62 C ATOM 709 C ALA A 45 -3.952 -4.018 2.300 1.00 0.59 C ATOM 710 O ALA A 45 -4.900 -3.484 1.761 1.00 0.61 O ATOM 711 CB ALA A 45 -1.704 -3.221 1.665 1.00 0.70 C ATOM 0 H ALA A 45 -1.285 -4.225 3.933 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.040 -2.187 2.979 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -2.110 -2.750 0.770 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -0.828 -2.667 2.001 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -1.418 -4.248 1.437 1.00 0.70 H new ATOM 717 N ASP A 46 -3.874 -5.295 2.524 1.00 0.60 N ATOM 718 CA ASP A 46 -5.004 -6.154 2.088 1.00 0.65 C ATOM 719 C ASP A 46 -6.095 -6.034 3.116 1.00 0.65 C ATOM 720 O ASP A 46 -7.244 -6.279 2.829 1.00 0.65 O ATOM 721 CB ASP A 46 -4.617 -7.621 2.030 1.00 0.76 C ATOM 722 CG ASP A 46 -5.767 -8.420 1.425 1.00 0.88 C ATOM 723 OD1 ASP A 46 -6.435 -7.875 0.564 1.00 1.04 O ATOM 724 OD2 ASP A 46 -5.922 -9.550 1.845 1.00 1.45 O ATOM 0 H ASP A 46 -3.097 -5.774 2.979 1.00 0.60 H new ATOM 0 HA ASP A 46 -5.311 -5.828 1.094 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -3.715 -7.748 1.431 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -4.389 -7.989 3.030 1.00 0.76 H new ATOM 729 N GLU A 47 -5.733 -5.656 4.304 1.00 0.71 N ATOM 730 CA GLU A 47 -6.791 -5.562 5.326 1.00 0.81 C ATOM 731 C GLU A 47 -7.693 -4.392 4.961 1.00 0.75 C ATOM 732 O GLU A 47 -8.875 -4.401 5.238 1.00 0.81 O ATOM 733 CB GLU A 47 -6.142 -5.354 6.708 1.00 0.97 C ATOM 734 CG GLU A 47 -7.205 -5.439 7.807 1.00 1.17 C ATOM 735 CD GLU A 47 -7.938 -6.768 7.669 1.00 1.52 C ATOM 736 OE1 GLU A 47 -7.460 -7.729 8.242 1.00 1.97 O ATOM 737 OE2 GLU A 47 -8.945 -6.760 6.988 1.00 2.02 O ATOM 0 H GLU A 47 -4.787 -5.417 4.601 1.00 0.71 H new ATOM 0 HA GLU A 47 -7.385 -6.475 5.365 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -5.374 -6.109 6.875 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -5.648 -4.383 6.744 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -6.740 -5.363 8.790 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -7.906 -4.609 7.721 1.00 1.17 H new ATOM 744 N LEU A 48 -7.107 -3.405 4.343 1.00 0.72 N ATOM 745 CA LEU A 48 -7.926 -2.229 3.937 1.00 0.77 C ATOM 746 C LEU A 48 -9.015 -2.770 3.026 1.00 0.68 C ATOM 747 O LEU A 48 -10.121 -2.272 2.965 1.00 0.93 O ATOM 748 CB LEU A 48 -7.051 -1.226 3.172 1.00 0.85 C ATOM 749 CG LEU A 48 -7.894 -0.047 2.626 1.00 0.87 C ATOM 750 CD1 LEU A 48 -8.548 0.732 3.778 1.00 1.52 C ATOM 751 CD2 LEU A 48 -6.972 0.896 1.839 1.00 1.40 C ATOM 0 H LEU A 48 -6.116 -3.360 4.105 1.00 0.72 H new ATOM 0 HA LEU A 48 -8.348 -1.714 4.800 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -6.271 -0.844 3.831 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -6.551 -1.732 2.346 1.00 0.85 H new ATOM 0 HG LEU A 48 -8.680 -0.440 1.981 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -9.136 1.556 3.373 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -9.199 0.066 4.344 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.774 1.128 4.435 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -7.553 1.731 1.449 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -6.190 1.274 2.498 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -6.517 0.353 1.011 1.00 1.40 H new ATOM 763 N TYR A 49 -8.640 -3.801 2.331 1.00 0.59 N ATOM 764 CA TYR A 49 -9.588 -4.448 1.402 1.00 0.54 C ATOM 765 C TYR A 49 -10.351 -5.431 2.303 1.00 0.59 C ATOM 766 O TYR A 49 -11.312 -5.074 2.947 1.00 0.82 O ATOM 767 CB TYR A 49 -8.726 -5.120 0.298 1.00 0.61 C ATOM 768 CG TYR A 49 -9.528 -5.929 -0.722 1.00 0.64 C ATOM 769 CD1 TYR A 49 -10.218 -5.300 -1.734 1.00 1.29 C ATOM 770 CD2 TYR A 49 -9.556 -7.306 -0.650 1.00 1.33 C ATOM 771 CE1 TYR A 49 -10.923 -6.031 -2.663 1.00 1.32 C ATOM 772 CE2 TYR A 49 -10.259 -8.040 -1.575 1.00 1.40 C ATOM 773 CZ TYR A 49 -10.948 -7.406 -2.589 1.00 0.85 C ATOM 774 OH TYR A 49 -11.651 -8.138 -3.524 1.00 0.99 O ATOM 0 H TYR A 49 -7.712 -4.223 2.369 1.00 0.59 H new ATOM 0 HA TYR A 49 -10.300 -3.803 0.888 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -8.165 -4.348 -0.229 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -7.997 -5.777 0.772 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -10.206 -4.222 -1.799 1.00 1.29 H new ATOM 0 HD2 TYR A 49 -9.021 -7.812 0.140 1.00 1.33 H new ATOM 0 HE1 TYR A 49 -11.458 -5.525 -3.453 1.00 1.32 H new ATOM 0 HE2 TYR A 49 -10.272 -9.118 -1.508 1.00 1.40 H new ATOM 0 HH TYR A 49 -11.563 -9.094 -3.325 1.00 0.99 H new ATOM 784 N ARG A 50 -9.862 -6.632 2.307 1.00 0.71 N ATOM 785 CA ARG A 50 -10.363 -7.810 3.079 1.00 0.95 C ATOM 786 C ARG A 50 -11.543 -7.717 4.053 1.00 1.15 C ATOM 787 O ARG A 50 -12.681 -7.735 3.626 1.00 1.19 O ATOM 788 CB ARG A 50 -9.118 -8.326 3.772 1.00 1.20 C ATOM 789 CG ARG A 50 -9.226 -9.688 4.435 1.00 1.44 C ATOM 790 CD ARG A 50 -7.970 -9.792 5.326 1.00 1.54 C ATOM 791 NE ARG A 50 -6.793 -9.303 4.548 1.00 1.70 N ATOM 792 CZ ARG A 50 -5.608 -9.294 5.110 1.00 1.79 C ATOM 793 NH1 ARG A 50 -5.475 -8.760 6.305 1.00 2.21 N ATOM 794 NH2 ARG A 50 -4.613 -9.826 4.435 1.00 2.29 N ATOM 0 H ARG A 50 -9.045 -6.869 1.744 1.00 0.71 H new ATOM 0 HA ARG A 50 -10.853 -8.454 2.349 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -8.312 -8.366 3.039 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -8.824 -7.600 4.530 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.138 -9.769 5.026 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -9.253 -10.488 3.695 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -8.098 -9.199 6.231 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -7.814 -10.824 5.641 1.00 1.54 H new ATOM 0 HE ARG A 50 -6.910 -8.979 3.588 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -6.286 -8.362 6.779 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -4.561 -8.744 6.758 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -4.779 -10.225 3.511 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -3.675 -9.840 4.835 1.00 2.29 H new ATOM 808 N SER A 51 -11.270 -7.634 5.328 1.00 1.40 N ATOM 809 CA SER A 51 -12.398 -7.591 6.291 1.00 1.77 C ATOM 810 C SER A 51 -13.368 -6.490 5.929 1.00 1.70 C ATOM 811 O SER A 51 -14.556 -6.615 6.129 1.00 1.91 O ATOM 812 CB SER A 51 -11.836 -7.372 7.687 1.00 2.04 C ATOM 813 OG SER A 51 -10.936 -8.467 7.832 1.00 2.11 O ATOM 0 H SER A 51 -10.335 -7.595 5.734 1.00 1.40 H new ATOM 0 HA SER A 51 -12.944 -8.534 6.258 1.00 1.77 H new ATOM 0 HB2 SER A 51 -11.325 -6.413 7.773 1.00 2.04 H new ATOM 0 HB3 SER A 51 -12.618 -7.386 8.446 1.00 2.04 H new ATOM 0 HG SER A 51 -10.044 -8.201 7.525 1.00 2.11 H new ATOM 819 N CYS A 52 -12.874 -5.422 5.394 1.00 1.50 N ATOM 820 CA CYS A 52 -13.840 -4.365 5.039 1.00 1.60 C ATOM 821 C CYS A 52 -14.568 -4.811 3.800 1.00 1.30 C ATOM 822 O CYS A 52 -15.727 -4.498 3.667 1.00 1.42 O ATOM 823 CB CYS A 52 -13.090 -3.070 4.771 1.00 1.71 C ATOM 824 SG CYS A 52 -12.080 -2.427 6.129 1.00 2.41 S ATOM 0 H CYS A 52 -11.891 -5.238 5.194 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.549 -4.193 5.849 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.443 -3.223 3.907 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -13.816 -2.306 4.494 1.00 1.71 H new ATOM 0 HG CYS A 52 -11.523 -1.310 5.764 1.00 2.41 H new ATOM 830 N LEU A 53 -13.923 -5.528 2.925 1.00 1.00 N ATOM 831 CA LEU A 53 -14.623 -5.949 1.685 1.00 0.95 C ATOM 832 C LEU A 53 -15.879 -6.649 2.107 1.00 1.09 C ATOM 833 O LEU A 53 -16.887 -6.576 1.431 1.00 1.19 O ATOM 834 CB LEU A 53 -13.785 -6.927 0.883 1.00 0.98 C ATOM 835 CG LEU A 53 -14.561 -7.339 -0.377 1.00 1.21 C ATOM 836 CD1 LEU A 53 -14.718 -6.146 -1.339 1.00 1.56 C ATOM 837 CD2 LEU A 53 -13.818 -8.482 -1.035 1.00 1.58 C ATOM 0 H LEU A 53 -12.955 -5.837 3.013 1.00 1.00 H new ATOM 0 HA LEU A 53 -14.819 -5.075 1.064 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -12.835 -6.470 0.607 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -13.553 -7.805 1.485 1.00 0.98 H new ATOM 0 HG LEU A 53 -15.567 -7.662 -0.108 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -15.271 -6.462 -2.224 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -15.262 -5.344 -0.839 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -13.733 -5.786 -1.636 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -14.351 -8.793 -1.934 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -12.813 -8.156 -1.303 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -13.755 -9.321 -0.342 1.00 1.58 H new ATOM 849 N ALA A 54 -15.741 -7.298 3.227 1.00 1.32 N ATOM 850 CA ALA A 54 -16.887 -8.051 3.801 1.00 1.66 C ATOM 851 C ALA A 54 -18.181 -7.280 3.635 1.00 1.77 C ATOM 852 O ALA A 54 -19.041 -7.651 2.861 1.00 2.00 O ATOM 853 CB ALA A 54 -16.684 -8.260 5.271 1.00 1.85 C ATOM 0 H ALA A 54 -14.880 -7.339 3.772 1.00 1.32 H new ATOM 0 HA ALA A 54 -16.944 -9.003 3.273 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -17.530 -8.813 5.680 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -15.767 -8.826 5.435 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.607 -7.293 5.769 1.00 1.85 H new ATOM 859 N ARG A 55 -18.298 -6.215 4.368 1.00 1.75 N ATOM 860 CA ARG A 55 -19.550 -5.438 4.251 1.00 1.93 C ATOM 861 C ARG A 55 -19.362 -4.563 3.043 1.00 1.58 C ATOM 862 O ARG A 55 -20.131 -4.525 2.107 1.00 1.71 O ATOM 863 CB ARG A 55 -19.744 -4.561 5.473 1.00 2.36 C ATOM 864 CG ARG A 55 -21.215 -4.108 5.363 1.00 2.73 C ATOM 865 CD ARG A 55 -21.666 -3.376 6.618 1.00 3.04 C ATOM 866 NE ARG A 55 -20.901 -2.113 6.752 1.00 2.92 N ATOM 867 CZ ARG A 55 -20.988 -1.209 5.809 1.00 3.13 C ATOM 868 NH1 ARG A 55 -22.183 -0.844 5.407 1.00 3.41 N ATOM 869 NH2 ARG A 55 -19.878 -0.719 5.315 1.00 3.65 N ATOM 0 H ARG A 55 -17.603 -5.858 5.024 1.00 1.75 H new ATOM 0 HA ARG A 55 -20.419 -6.091 4.167 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -19.562 -5.112 6.395 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -19.061 -3.711 5.469 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -21.333 -3.456 4.498 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -21.853 -4.976 5.197 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -22.734 -3.164 6.565 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -21.509 -4.004 7.495 1.00 3.04 H new ATOM 0 HE ARG A 55 -20.313 -1.950 7.570 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -23.013 -1.263 5.828 1.00 3.41 H new ATOM 0 HH12 ARG A 55 -22.282 -0.142 4.674 1.00 3.41 H new ATOM 0 HH21 ARG A 55 -18.977 -1.043 5.666 1.00 3.65 H new ATOM 0 HH22 ARG A 55 -19.915 -0.013 4.579 1.00 3.65 H new ATOM 883 N PHE A 56 -18.272 -3.889 3.189 1.00 1.42 N ATOM 884 CA PHE A 56 -17.699 -2.907 2.252 1.00 1.63 C ATOM 885 C PHE A 56 -17.353 -1.805 3.212 1.00 2.45 C ATOM 886 O PHE A 56 -18.137 -0.910 3.441 1.00 3.11 O ATOM 887 CB PHE A 56 -18.669 -2.296 1.246 1.00 1.48 C ATOM 888 CG PHE A 56 -17.788 -1.262 0.541 1.00 1.19 C ATOM 889 CD1 PHE A 56 -16.856 -1.669 -0.389 1.00 1.30 C ATOM 890 CD2 PHE A 56 -17.896 0.079 0.838 1.00 1.63 C ATOM 891 CE1 PHE A 56 -16.044 -0.745 -1.009 1.00 1.24 C ATOM 892 CE2 PHE A 56 -17.088 1.006 0.221 1.00 1.51 C ATOM 893 CZ PHE A 56 -16.157 0.595 -0.707 1.00 0.99 C ATOM 0 H PHE A 56 -17.693 -3.999 4.022 1.00 1.42 H new ATOM 0 HA PHE A 56 -16.918 -3.367 1.647 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -19.059 -3.040 0.552 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -19.527 -1.835 1.735 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -16.762 -2.717 -0.633 1.00 1.30 H new ATOM 0 HD2 PHE A 56 -18.625 0.407 1.565 1.00 1.63 H new ATOM 0 HE1 PHE A 56 -15.315 -1.072 -1.736 1.00 1.24 H new ATOM 0 HE2 PHE A 56 -17.184 2.054 0.464 1.00 1.51 H new ATOM 0 HZ PHE A 56 -15.520 1.318 -1.195 1.00 0.99 H new ATOM 903 N GLY A 57 -16.195 -1.893 3.774 1.00 2.70 N ATOM 904 CA GLY A 57 -15.810 -0.816 4.718 1.00 3.77 C ATOM 905 C GLY A 57 -15.896 -1.371 6.122 1.00 4.43 C ATOM 906 O GLY A 57 -15.684 -0.661 7.082 1.00 4.85 O ATOM 0 H GLY A 57 -15.512 -2.637 3.631 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -14.799 -0.468 4.507 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -16.472 0.043 4.607 1.00 3.77 H new ATOM 910 N ASP A 58 -16.203 -2.639 6.184 1.00 4.82 N ATOM 911 CA ASP A 58 -16.338 -3.330 7.496 1.00 5.78 C ATOM 912 C ASP A 58 -17.479 -2.583 8.142 1.00 6.31 C ATOM 913 O ASP A 58 -18.339 -2.147 7.404 1.00 6.58 O ATOM 914 CB ASP A 58 -15.060 -3.177 8.334 1.00 6.24 C ATOM 915 CG ASP A 58 -15.050 -4.294 9.370 1.00 6.76 C ATOM 916 OD1 ASP A 58 -14.953 -5.423 8.920 1.00 7.19 O ATOM 917 OD2 ASP A 58 -15.138 -3.960 10.539 1.00 6.88 O ATOM 0 H ASP A 58 -16.368 -3.231 5.370 1.00 4.82 H new ATOM 0 HA ASP A 58 -16.507 -4.403 7.402 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -14.176 -3.237 7.699 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -15.037 -2.203 8.822 1.00 6.24 H new ATOM 922 N ASP A 59 -17.460 -2.456 9.443 1.00 6.74 N ATOM 923 CA ASP A 59 -18.534 -1.735 10.200 1.00 7.58 C ATOM 924 C ASP A 59 -19.908 -2.259 9.784 1.00 8.01 C ATOM 925 O ASP A 59 -19.998 -3.304 9.175 1.00 8.18 O ATOM 926 CB ASP A 59 -18.393 -0.195 9.927 1.00 8.09 C ATOM 927 CG ASP A 59 -19.591 0.399 9.195 1.00 8.40 C ATOM 928 OD1 ASP A 59 -19.749 0.057 8.043 1.00 8.62 O ATOM 929 OD2 ASP A 59 -20.300 1.162 9.829 1.00 8.56 O ATOM 0 H ASP A 59 -16.720 -2.835 10.034 1.00 6.74 H new ATOM 0 HA ASP A 59 -18.430 -1.911 11.271 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -18.261 0.325 10.876 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -17.492 -0.018 9.339 1.00 8.09 H new ATOM 934 N GLY A 60 -20.955 -1.557 10.111 1.00 8.32 N ATOM 935 CA GLY A 60 -22.304 -2.024 9.721 1.00 8.93 C ATOM 936 C GLY A 60 -23.075 -0.962 8.937 1.00 9.28 C ATOM 937 O GLY A 60 -23.617 -1.247 7.883 1.00 9.74 O ATOM 0 H GLY A 60 -20.931 -0.680 10.632 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -22.214 -2.926 9.116 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -22.866 -2.294 10.615 1.00 8.93 H new ATOM 941 N GLU A 61 -23.097 0.235 9.457 1.00 9.25 N ATOM 942 CA GLU A 61 -23.892 1.304 8.794 1.00 9.85 C ATOM 943 C GLU A 61 -23.135 2.208 7.827 1.00 10.44 C ATOM 944 O GLU A 61 -23.674 3.212 7.403 1.00 10.96 O ATOM 945 CB GLU A 61 -24.520 2.166 9.885 1.00 9.95 C ATOM 946 CG GLU A 61 -24.926 1.279 11.077 1.00 9.52 C ATOM 947 CD GLU A 61 -25.817 0.146 10.576 1.00 9.36 C ATOM 948 OE1 GLU A 61 -26.813 0.481 9.960 1.00 9.14 O ATOM 949 OE2 GLU A 61 -25.442 -0.984 10.842 1.00 9.60 O ATOM 0 H GLU A 61 -22.603 0.516 10.304 1.00 9.25 H new ATOM 0 HA GLU A 61 -24.622 0.786 8.173 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -23.813 2.929 10.211 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -25.393 2.687 9.493 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -24.039 0.873 11.563 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -25.455 1.871 11.823 1.00 9.52 H new ATOM 956 N ASN A 62 -21.925 1.885 7.482 1.00 10.52 N ATOM 957 CA ASN A 62 -21.221 2.790 6.525 1.00 11.24 C ATOM 958 C ASN A 62 -21.793 2.465 5.153 1.00 11.48 C ATOM 959 O ASN A 62 -22.721 1.687 5.055 1.00 11.62 O ATOM 960 CB ASN A 62 -19.716 2.512 6.543 1.00 11.72 C ATOM 961 CG ASN A 62 -18.985 3.530 5.678 1.00 12.30 C ATOM 962 OD1 ASN A 62 -19.370 4.681 5.594 1.00 12.60 O ATOM 963 ND2 ASN A 62 -17.928 3.148 5.019 1.00 12.60 N ATOM 0 H ASN A 62 -21.405 1.068 7.803 1.00 10.52 H new ATOM 0 HA ASN A 62 -21.363 3.839 6.786 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -19.342 2.557 7.566 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -19.520 1.504 6.176 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -17.424 3.814 4.433 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -17.605 2.183 5.089 1.00 12.60 H new ATOM 970 N LEU A 63 -21.262 3.045 4.117 1.00 11.67 N ATOM 971 CA LEU A 63 -21.787 2.753 2.765 1.00 12.09 C ATOM 972 C LEU A 63 -21.052 1.524 2.253 1.00 12.33 C ATOM 973 O LEU A 63 -20.495 1.684 1.188 1.00 12.50 O ATOM 974 CB LEU A 63 -21.516 3.926 1.797 1.00 12.49 C ATOM 975 CG LEU A 63 -22.195 5.262 2.211 1.00 12.64 C ATOM 976 CD1 LEU A 63 -23.703 5.052 2.444 1.00 12.78 C ATOM 977 CD2 LEU A 63 -21.549 5.894 3.463 1.00 12.96 C ATOM 978 OXT LEU A 63 -21.078 0.510 2.931 1.00 12.46 O ATOM 0 H LEU A 63 -20.488 3.708 4.151 1.00 11.67 H new ATOM 0 HA LEU A 63 -22.864 2.595 2.818 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -20.440 4.084 1.728 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -21.862 3.648 0.801 1.00 12.49 H new ATOM 0 HG LEU A 63 -22.048 5.958 1.385 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -24.162 5.998 2.733 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -24.166 4.690 1.526 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -23.850 4.320 3.238 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -22.062 6.824 3.707 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -21.631 5.203 4.302 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -20.497 6.101 3.265 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 21.234 0.908 -0.256 1.00 3.37 N ATOM 992 CA MET B 1 22.392 1.622 0.330 1.00 3.57 C ATOM 993 C MET B 1 22.692 2.671 -0.709 1.00 3.47 C ATOM 994 O MET B 1 22.767 3.854 -0.440 1.00 4.06 O ATOM 995 CB MET B 1 23.615 0.717 0.475 1.00 3.97 C ATOM 996 CG MET B 1 23.265 -0.497 1.341 1.00 4.33 C ATOM 997 SD MET B 1 24.618 -1.639 1.706 1.00 4.83 S ATOM 998 CE MET B 1 24.691 -2.448 0.088 1.00 5.37 C ATOM 0 H1 MET B 1 20.548 0.685 0.493 1.00 3.37 H new ATOM 0 H2 MET B 1 20.781 1.511 -0.972 1.00 3.37 H new ATOM 0 H3 MET B 1 21.559 0.026 -0.701 1.00 3.37 H new ATOM 0 HA MET B 1 22.173 2.003 1.328 1.00 3.57 H new ATOM 0 HB2 MET B 1 23.954 0.388 -0.508 1.00 3.97 H new ATOM 0 HB3 MET B 1 24.437 1.272 0.926 1.00 3.97 H new ATOM 0 HG2 MET B 1 22.857 -0.137 2.286 1.00 4.33 H new ATOM 0 HG3 MET B 1 22.472 -1.055 0.843 1.00 4.33 H new ATOM 0 HE1 MET B 1 25.439 -3.240 0.111 1.00 5.37 H new ATOM 0 HE2 MET B 1 23.717 -2.876 -0.149 1.00 5.37 H new ATOM 0 HE3 MET B 1 24.961 -1.716 -0.673 1.00 5.37 H new ATOM 1010 N THR B 2 22.848 2.158 -1.885 1.00 2.92 N ATOM 1011 CA THR B 2 23.137 2.994 -3.057 1.00 2.99 C ATOM 1012 C THR B 2 21.793 3.645 -3.413 1.00 2.72 C ATOM 1013 O THR B 2 20.894 3.698 -2.595 1.00 2.84 O ATOM 1014 CB THR B 2 23.653 2.033 -4.104 1.00 3.22 C ATOM 1015 OG1 THR B 2 24.286 1.049 -3.291 1.00 3.49 O ATOM 1016 CG2 THR B 2 24.800 2.651 -4.918 1.00 4.02 C ATOM 0 H THR B 2 22.784 1.160 -2.084 1.00 2.92 H new ATOM 0 HA THR B 2 23.877 3.784 -2.929 1.00 2.99 H new ATOM 0 HB THR B 2 22.865 1.711 -4.784 1.00 3.22 H new ATOM 0 HG1 THR B 2 24.670 0.351 -3.862 1.00 3.49 H new ATOM 0 HG21 THR B 2 25.147 1.933 -5.661 1.00 4.02 H new ATOM 0 HG22 THR B 2 24.446 3.551 -5.421 1.00 4.02 H new ATOM 0 HG23 THR B 2 25.622 2.908 -4.251 1.00 4.02 H new ATOM 1024 N LYS B 3 21.679 4.124 -4.618 1.00 2.63 N ATOM 1025 CA LYS B 3 20.397 4.761 -5.009 1.00 2.60 C ATOM 1026 C LYS B 3 19.458 3.724 -5.603 1.00 2.17 C ATOM 1027 O LYS B 3 18.261 3.811 -5.444 1.00 2.07 O ATOM 1028 CB LYS B 3 20.660 5.858 -6.042 1.00 3.03 C ATOM 1029 CG LYS B 3 21.516 6.960 -5.383 1.00 3.61 C ATOM 1030 CD LYS B 3 21.730 8.095 -6.394 1.00 3.98 C ATOM 1031 CE LYS B 3 22.443 9.264 -5.679 1.00 4.65 C ATOM 1032 NZ LYS B 3 23.698 8.806 -5.010 1.00 4.95 N ATOM 0 H LYS B 3 22.403 4.103 -5.336 1.00 2.63 H new ATOM 0 HA LYS B 3 19.935 5.196 -4.123 1.00 2.60 H new ATOM 0 HB2 LYS B 3 21.176 5.445 -6.909 1.00 3.03 H new ATOM 0 HB3 LYS B 3 19.718 6.274 -6.400 1.00 3.03 H new ATOM 0 HG2 LYS B 3 21.019 7.339 -4.490 1.00 3.61 H new ATOM 0 HG3 LYS B 3 22.476 6.552 -5.065 1.00 3.61 H new ATOM 0 HD2 LYS B 3 22.328 7.745 -7.235 1.00 3.98 H new ATOM 0 HD3 LYS B 3 20.774 8.426 -6.799 1.00 3.98 H new ATOM 0 HE2 LYS B 3 22.678 10.046 -6.401 1.00 4.65 H new ATOM 0 HE3 LYS B 3 21.774 9.704 -4.940 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 24.287 9.630 -4.776 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 23.459 8.293 -4.138 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 24.222 8.176 -5.650 1.00 4.95 H new ATOM 1046 N GLN B 4 20.016 2.761 -6.278 1.00 2.02 N ATOM 1047 CA GLN B 4 19.148 1.731 -6.905 1.00 1.74 C ATOM 1048 C GLN B 4 18.182 1.096 -5.917 1.00 1.34 C ATOM 1049 O GLN B 4 17.000 0.997 -6.181 1.00 1.25 O ATOM 1050 CB GLN B 4 20.012 0.615 -7.536 1.00 1.87 C ATOM 1051 CG GLN B 4 21.219 0.239 -6.664 1.00 2.66 C ATOM 1052 CD GLN B 4 22.461 0.938 -7.224 1.00 3.34 C ATOM 1053 OE1 GLN B 4 22.619 2.140 -7.118 1.00 3.63 O ATOM 1054 NE2 GLN B 4 23.368 0.222 -7.828 1.00 4.09 N ATOM 0 H GLN B 4 21.019 2.643 -6.421 1.00 2.02 H new ATOM 0 HA GLN B 4 18.564 2.244 -7.669 1.00 1.74 H new ATOM 0 HB2 GLN B 4 19.396 -0.269 -7.698 1.00 1.87 H new ATOM 0 HB3 GLN B 4 20.363 0.942 -8.515 1.00 1.87 H new ATOM 0 HG2 GLN B 4 21.048 0.541 -5.631 1.00 2.66 H new ATOM 0 HG3 GLN B 4 21.362 -0.842 -6.661 1.00 2.66 H new ATOM 0 HE21 GLN B 4 23.243 -0.786 -7.921 1.00 4.09 H new ATOM 0 HE22 GLN B 4 24.202 0.670 -8.207 1.00 4.09 H new ATOM 1063 N GLU B 5 18.698 0.682 -4.802 1.00 1.21 N ATOM 1064 CA GLU B 5 17.812 0.045 -3.803 1.00 0.96 C ATOM 1065 C GLU B 5 16.806 1.089 -3.350 1.00 0.95 C ATOM 1066 O GLU B 5 15.669 0.778 -3.057 1.00 0.82 O ATOM 1067 CB GLU B 5 18.618 -0.432 -2.588 1.00 1.13 C ATOM 1068 CG GLU B 5 19.877 -1.201 -3.016 1.00 1.56 C ATOM 1069 CD GLU B 5 21.067 -0.284 -2.807 1.00 1.97 C ATOM 1070 OE1 GLU B 5 20.910 0.865 -3.158 1.00 2.36 O ATOM 1071 OE2 GLU B 5 22.073 -0.742 -2.302 1.00 2.53 O ATOM 0 H GLU B 5 19.681 0.755 -4.541 1.00 1.21 H new ATOM 0 HA GLU B 5 17.317 -0.819 -4.247 1.00 0.96 H new ATOM 0 HB2 GLU B 5 18.903 0.426 -1.979 1.00 1.13 H new ATOM 0 HB3 GLU B 5 17.994 -1.072 -1.964 1.00 1.13 H new ATOM 0 HG2 GLU B 5 19.988 -2.112 -2.428 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.805 -1.503 -4.061 1.00 1.56 H new ATOM 1078 N LYS B 6 17.228 2.318 -3.296 1.00 1.22 N ATOM 1079 CA LYS B 6 16.246 3.339 -2.860 1.00 1.36 C ATOM 1080 C LYS B 6 15.168 3.433 -3.920 1.00 1.20 C ATOM 1081 O LYS B 6 14.035 3.743 -3.618 1.00 1.18 O ATOM 1082 CB LYS B 6 16.916 4.704 -2.695 1.00 1.75 C ATOM 1083 CG LYS B 6 17.832 4.623 -1.471 1.00 2.49 C ATOM 1084 CD LYS B 6 18.290 6.023 -1.062 1.00 2.98 C ATOM 1085 CE LYS B 6 19.074 5.859 0.254 1.00 3.67 C ATOM 1086 NZ LYS B 6 19.436 7.163 0.874 1.00 3.78 N ATOM 0 H LYS B 6 18.166 2.649 -3.523 1.00 1.22 H new ATOM 0 HA LYS B 6 15.824 3.050 -1.898 1.00 1.36 H new ATOM 0 HB2 LYS B 6 17.489 4.960 -3.586 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.167 5.485 -2.562 1.00 1.75 H new ATOM 0 HG2 LYS B 6 17.305 4.149 -0.643 1.00 2.49 H new ATOM 0 HG3 LYS B 6 18.698 4.000 -1.696 1.00 2.49 H new ATOM 0 HD2 LYS B 6 18.917 6.467 -1.835 1.00 2.98 H new ATOM 0 HD3 LYS B 6 17.436 6.686 -0.925 1.00 2.98 H new ATOM 0 HE2 LYS B 6 18.476 5.280 0.958 1.00 3.67 H new ATOM 0 HE3 LYS B 6 19.982 5.288 0.062 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 20.423 7.130 1.200 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 19.329 7.923 0.172 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 18.810 7.348 1.683 1.00 3.78 H new ATOM 1100 N THR B 7 15.533 3.166 -5.137 1.00 1.23 N ATOM 1101 CA THR B 7 14.517 3.230 -6.203 1.00 1.25 C ATOM 1102 C THR B 7 13.579 2.046 -5.962 1.00 0.98 C ATOM 1103 O THR B 7 12.405 2.103 -6.265 1.00 0.93 O ATOM 1104 CB THR B 7 15.249 3.130 -7.524 1.00 1.53 C ATOM 1105 OG1 THR B 7 16.326 4.037 -7.325 1.00 1.77 O ATOM 1106 CG2 THR B 7 14.427 3.769 -8.653 1.00 1.82 C ATOM 0 H THR B 7 16.475 2.911 -5.433 1.00 1.23 H new ATOM 0 HA THR B 7 13.934 4.151 -6.211 1.00 1.25 H new ATOM 0 HB THR B 7 15.490 2.098 -7.780 1.00 1.53 H new ATOM 0 HG1 THR B 7 17.094 3.556 -6.953 1.00 1.77 H new ATOM 0 HG21 THR B 7 14.973 3.685 -9.593 1.00 1.82 H new ATOM 0 HG22 THR B 7 13.470 3.255 -8.742 1.00 1.82 H new ATOM 0 HG23 THR B 7 14.254 4.821 -8.426 1.00 1.82 H new ATOM 1114 N ALA B 8 14.103 0.985 -5.418 1.00 0.87 N ATOM 1115 CA ALA B 8 13.189 -0.160 -5.166 1.00 0.79 C ATOM 1116 C ALA B 8 12.227 0.366 -4.121 1.00 0.62 C ATOM 1117 O ALA B 8 11.059 0.038 -4.095 1.00 0.70 O ATOM 1118 CB ALA B 8 13.941 -1.362 -4.592 1.00 0.81 C ATOM 0 H ALA B 8 15.079 0.861 -5.147 1.00 0.87 H new ATOM 0 HA ALA B 8 12.707 -0.499 -6.083 1.00 0.79 H new ATOM 0 HB1 ALA B 8 13.242 -2.180 -4.420 1.00 0.81 H new ATOM 0 HB2 ALA B 8 14.708 -1.682 -5.297 1.00 0.81 H new ATOM 0 HB3 ALA B 8 14.410 -1.081 -3.649 1.00 0.81 H new ATOM 1124 N LEU B 9 12.761 1.191 -3.270 1.00 0.59 N ATOM 1125 CA LEU B 9 11.905 1.771 -2.210 1.00 0.73 C ATOM 1126 C LEU B 9 10.951 2.737 -2.901 1.00 0.60 C ATOM 1127 O LEU B 9 9.851 2.954 -2.439 1.00 0.61 O ATOM 1128 CB LEU B 9 12.786 2.513 -1.202 1.00 1.09 C ATOM 1129 CG LEU B 9 12.311 2.229 0.238 1.00 1.65 C ATOM 1130 CD1 LEU B 9 12.641 0.777 0.632 1.00 1.96 C ATOM 1131 CD2 LEU B 9 13.023 3.190 1.204 1.00 2.37 C ATOM 0 H LEU B 9 13.738 1.484 -3.263 1.00 0.59 H new ATOM 0 HA LEU B 9 11.349 1.004 -1.671 1.00 0.73 H new ATOM 0 HB2 LEU B 9 13.824 2.201 -1.318 1.00 1.09 H new ATOM 0 HB3 LEU B 9 12.751 3.585 -1.399 1.00 1.09 H new ATOM 0 HG LEU B 9 11.232 2.375 0.292 1.00 1.65 H new ATOM 0 HD11 LEU B 9 12.300 0.590 1.650 1.00 1.96 H new ATOM 0 HD12 LEU B 9 12.138 0.092 -0.050 1.00 1.96 H new ATOM 0 HD13 LEU B 9 13.718 0.620 0.575 1.00 1.96 H new ATOM 0 HD21 LEU B 9 12.691 2.994 2.223 1.00 2.37 H new ATOM 0 HD22 LEU B 9 14.101 3.040 1.138 1.00 2.37 H new ATOM 0 HD23 LEU B 9 12.783 4.219 0.936 1.00 2.37 H new ATOM 1143 N ASN B 10 11.365 3.309 -3.997 1.00 0.60 N ATOM 1144 CA ASN B 10 10.434 4.255 -4.680 1.00 0.63 C ATOM 1145 C ASN B 10 9.200 3.503 -5.108 1.00 0.57 C ATOM 1146 O ASN B 10 8.165 4.103 -5.314 1.00 0.57 O ATOM 1147 CB ASN B 10 11.038 4.874 -5.947 1.00 0.76 C ATOM 1148 CG ASN B 10 11.971 6.027 -5.582 1.00 1.34 C ATOM 1149 OD1 ASN B 10 12.025 7.021 -6.281 1.00 1.67 O ATOM 1150 ND2 ASN B 10 12.712 5.952 -4.512 1.00 2.15 N ATOM 0 H ASN B 10 12.274 3.171 -4.439 1.00 0.60 H new ATOM 0 HA ASN B 10 10.217 5.051 -3.968 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.588 4.115 -6.504 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.242 5.234 -6.599 1.00 0.76 H new ATOM 0 HD21 ASN B 10 13.332 6.724 -4.266 1.00 2.15 H new ATOM 0 HD22 ASN B 10 12.672 5.122 -3.921 1.00 2.15 H new ATOM 1157 N MET B 11 9.324 2.216 -5.239 1.00 0.60 N ATOM 1158 CA MET B 11 8.126 1.443 -5.644 1.00 0.65 C ATOM 1159 C MET B 11 7.169 1.528 -4.469 1.00 0.62 C ATOM 1160 O MET B 11 5.974 1.655 -4.629 1.00 0.68 O ATOM 1161 CB MET B 11 8.497 -0.012 -5.899 1.00 0.77 C ATOM 1162 CG MET B 11 9.581 -0.068 -6.977 1.00 1.18 C ATOM 1163 SD MET B 11 9.166 0.628 -8.595 1.00 1.98 S ATOM 1164 CE MET B 11 8.345 -0.839 -9.268 1.00 2.42 C ATOM 0 H MET B 11 10.178 1.679 -5.088 1.00 0.60 H new ATOM 0 HA MET B 11 7.687 1.837 -6.561 1.00 0.65 H new ATOM 0 HB2 MET B 11 8.856 -0.476 -4.980 1.00 0.77 H new ATOM 0 HB3 MET B 11 7.619 -0.574 -6.218 1.00 0.77 H new ATOM 0 HG2 MET B 11 10.461 0.453 -6.600 1.00 1.18 H new ATOM 0 HG3 MET B 11 9.864 -1.111 -7.119 1.00 1.18 H new ATOM 0 HE1 MET B 11 8.001 -0.631 -10.281 1.00 2.42 H new ATOM 0 HE2 MET B 11 9.047 -1.672 -9.287 1.00 2.42 H new ATOM 0 HE3 MET B 11 7.492 -1.098 -8.641 1.00 2.42 H new ATOM 1174 N ALA B 12 7.730 1.455 -3.296 1.00 0.58 N ATOM 1175 CA ALA B 12 6.860 1.535 -2.095 1.00 0.62 C ATOM 1176 C ALA B 12 6.243 2.915 -2.103 1.00 0.56 C ATOM 1177 O ALA B 12 5.130 3.108 -1.662 1.00 0.57 O ATOM 1178 CB ALA B 12 7.673 1.371 -0.809 1.00 0.67 C ATOM 0 H ALA B 12 8.729 1.346 -3.119 1.00 0.58 H new ATOM 0 HA ALA B 12 6.112 0.742 -2.123 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.008 1.434 0.052 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.169 0.401 -0.814 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.421 2.161 -0.748 1.00 0.67 H new ATOM 1184 N ARG B 13 6.987 3.858 -2.604 1.00 0.53 N ATOM 1185 CA ARG B 13 6.414 5.226 -2.637 1.00 0.50 C ATOM 1186 C ARG B 13 5.219 5.173 -3.572 1.00 0.49 C ATOM 1187 O ARG B 13 4.197 5.765 -3.301 1.00 0.51 O ATOM 1188 CB ARG B 13 7.393 6.251 -3.212 1.00 0.51 C ATOM 1189 CG ARG B 13 6.811 7.662 -2.994 1.00 0.61 C ATOM 1190 CD ARG B 13 7.531 8.653 -3.917 1.00 1.07 C ATOM 1191 NE ARG B 13 8.993 8.418 -3.805 1.00 1.86 N ATOM 1192 CZ ARG B 13 9.706 8.313 -4.900 1.00 2.52 C ATOM 1193 NH1 ARG B 13 9.287 7.486 -5.836 1.00 3.15 N ATOM 1194 NH2 ARG B 13 10.801 9.036 -5.009 1.00 3.08 N ATOM 0 H ARG B 13 7.930 3.749 -2.978 1.00 0.53 H new ATOM 0 HA ARG B 13 6.163 5.527 -1.620 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.364 6.162 -2.724 1.00 0.51 H new ATOM 0 HB3 ARG B 13 7.552 6.067 -4.275 1.00 0.51 H new ATOM 0 HG2 ARG B 13 5.741 7.663 -3.203 1.00 0.61 H new ATOM 0 HG3 ARG B 13 6.933 7.962 -1.953 1.00 0.61 H new ATOM 0 HD2 ARG B 13 7.203 8.519 -4.948 1.00 1.07 H new ATOM 0 HD3 ARG B 13 7.289 9.678 -3.636 1.00 1.07 H new ATOM 0 HE ARG B 13 9.436 8.339 -2.890 1.00 1.86 H new ATOM 0 HH11 ARG B 13 8.430 6.950 -5.697 1.00 3.15 H new ATOM 0 HH12 ARG B 13 9.819 7.382 -6.700 1.00 3.15 H new ATOM 0 HH21 ARG B 13 11.078 9.660 -4.251 1.00 3.08 H new ATOM 0 HH22 ARG B 13 11.373 8.972 -5.851 1.00 3.08 H new ATOM 1208 N PHE B 14 5.366 4.465 -4.657 1.00 0.52 N ATOM 1209 CA PHE B 14 4.223 4.416 -5.602 1.00 0.54 C ATOM 1210 C PHE B 14 3.031 3.811 -4.896 1.00 0.57 C ATOM 1211 O PHE B 14 1.915 4.237 -5.109 1.00 0.59 O ATOM 1212 CB PHE B 14 4.557 3.557 -6.822 1.00 0.62 C ATOM 1213 CG PHE B 14 3.342 3.563 -7.759 1.00 1.17 C ATOM 1214 CD1 PHE B 14 2.771 4.753 -8.180 1.00 1.81 C ATOM 1215 CD2 PHE B 14 2.799 2.369 -8.190 1.00 2.02 C ATOM 1216 CE1 PHE B 14 1.677 4.743 -9.020 1.00 2.50 C ATOM 1217 CE2 PHE B 14 1.705 2.357 -9.029 1.00 2.69 C ATOM 1218 CZ PHE B 14 1.142 3.545 -9.445 1.00 2.71 C ATOM 0 H PHE B 14 6.197 3.937 -4.922 1.00 0.52 H new ATOM 0 HA PHE B 14 4.004 5.430 -5.936 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.435 3.950 -7.335 1.00 0.62 H new ATOM 0 HB3 PHE B 14 4.796 2.539 -6.516 1.00 0.62 H new ATOM 0 HD1 PHE B 14 3.185 5.694 -7.849 1.00 1.81 H new ATOM 0 HD2 PHE B 14 3.235 1.435 -7.867 1.00 2.02 H new ATOM 0 HE1 PHE B 14 1.239 5.675 -9.345 1.00 2.50 H new ATOM 0 HE2 PHE B 14 1.289 1.417 -9.360 1.00 2.69 H new ATOM 0 HZ PHE B 14 0.285 3.537 -10.102 1.00 2.71 H new ATOM 1228 N ILE B 15 3.285 2.832 -4.076 1.00 0.58 N ATOM 1229 CA ILE B 15 2.149 2.220 -3.353 1.00 0.63 C ATOM 1230 C ILE B 15 1.464 3.351 -2.601 1.00 0.59 C ATOM 1231 O ILE B 15 0.257 3.465 -2.620 1.00 0.62 O ATOM 1232 CB ILE B 15 2.683 1.149 -2.378 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.209 -0.012 -3.233 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.569 0.653 -1.447 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.694 -1.158 -2.348 1.00 0.93 C ATOM 0 H ILE B 15 4.206 2.440 -3.881 1.00 0.58 H new ATOM 0 HA ILE B 15 1.447 1.730 -4.027 1.00 0.63 H new ATOM 0 HB ILE B 15 3.470 1.566 -1.750 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.421 -0.367 -3.897 1.00 0.79 H new ATOM 0 HG13 ILE B 15 4.026 0.336 -3.865 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.970 -0.101 -0.769 1.00 0.82 H new ATOM 0 HG22 ILE B 15 1.179 1.490 -0.868 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.766 0.217 -2.041 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.063 -1.970 -2.974 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.498 -0.804 -1.702 1.00 0.93 H new ATOM 0 HD13 ILE B 15 2.868 -1.519 -1.735 1.00 0.93 H new ATOM 1247 N ARG B 16 2.252 4.166 -1.961 1.00 0.58 N ATOM 1248 CA ARG B 16 1.637 5.282 -1.200 1.00 0.58 C ATOM 1249 C ARG B 16 0.821 6.148 -2.153 1.00 0.55 C ATOM 1250 O ARG B 16 -0.255 6.603 -1.809 1.00 0.56 O ATOM 1251 CB ARG B 16 2.742 6.135 -0.537 1.00 0.60 C ATOM 1252 CG ARG B 16 2.072 7.236 0.277 1.00 0.82 C ATOM 1253 CD ARG B 16 3.113 8.078 1.031 1.00 1.04 C ATOM 1254 NE ARG B 16 2.394 9.107 1.843 1.00 1.57 N ATOM 1255 CZ ARG B 16 2.683 9.228 3.122 1.00 2.08 C ATOM 1256 NH1 ARG B 16 3.910 9.560 3.445 1.00 2.68 N ATOM 1257 NH2 ARG B 16 1.753 9.013 4.029 1.00 2.60 N ATOM 0 H ARG B 16 3.270 4.111 -1.932 1.00 0.58 H new ATOM 0 HA ARG B 16 0.986 4.879 -0.424 1.00 0.58 H new ATOM 0 HB2 ARG B 16 3.367 5.514 0.105 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.395 6.567 -1.295 1.00 0.60 H new ATOM 0 HG2 ARG B 16 1.490 7.878 -0.384 1.00 0.82 H new ATOM 0 HG3 ARG B 16 1.374 6.794 0.988 1.00 0.82 H new ATOM 0 HD2 ARG B 16 3.719 7.442 1.676 1.00 1.04 H new ATOM 0 HD3 ARG B 16 3.793 8.558 0.327 1.00 1.04 H new ATOM 0 HE ARG B 16 1.690 9.707 1.413 1.00 1.57 H new ATOM 0 HH11 ARG B 16 4.605 9.716 2.715 1.00 2.68 H new ATOM 0 HH12 ARG B 16 4.169 9.663 4.426 1.00 2.68 H new ATOM 0 HH21 ARG B 16 0.810 8.753 3.741 1.00 2.60 H new ATOM 0 HH22 ARG B 16 1.976 9.106 5.020 1.00 2.60 H new ATOM 1271 N SER B 17 1.339 6.356 -3.327 1.00 0.57 N ATOM 1272 CA SER B 17 0.605 7.200 -4.296 1.00 0.60 C ATOM 1273 C SER B 17 -0.753 6.588 -4.621 1.00 0.56 C ATOM 1274 O SER B 17 -1.759 7.268 -4.654 1.00 0.55 O ATOM 1275 CB SER B 17 1.440 7.311 -5.553 1.00 0.68 C ATOM 1276 OG SER B 17 2.739 7.566 -5.037 1.00 0.72 O ATOM 0 H SER B 17 2.230 5.981 -3.653 1.00 0.57 H new ATOM 0 HA SER B 17 0.432 8.188 -3.868 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.410 6.395 -6.142 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.095 8.117 -6.200 1.00 0.68 H new ATOM 0 HG SER B 17 3.374 7.656 -5.778 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.765 5.310 -4.855 1.00 0.57 N ATOM 1283 CA GLN B 18 -2.067 4.693 -5.190 1.00 0.57 C ATOM 1284 C GLN B 18 -2.971 4.855 -3.986 1.00 0.51 C ATOM 1285 O GLN B 18 -4.131 5.187 -4.114 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.877 3.219 -5.495 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.892 3.069 -6.644 1.00 0.91 C ATOM 1288 CD GLN B 18 -0.845 1.585 -6.997 1.00 1.11 C ATOM 1289 OE1 GLN B 18 -0.569 0.749 -6.161 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -1.109 1.212 -8.220 1.00 1.05 N ATOM 0 H GLN B 18 0.041 4.686 -4.830 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.503 5.171 -6.067 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -1.507 2.698 -4.612 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.832 2.764 -5.757 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -1.208 3.660 -7.503 1.00 0.91 H new ATOM 0 HG3 GLN B 18 0.096 3.429 -6.355 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -1.342 1.910 -8.927 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -1.083 0.223 -8.469 1.00 1.05 H new ATOM 1299 N THR B 19 -2.403 4.617 -2.843 1.00 0.48 N ATOM 1300 CA THR B 19 -3.193 4.742 -1.605 1.00 0.44 C ATOM 1301 C THR B 19 -3.791 6.147 -1.526 1.00 0.43 C ATOM 1302 O THR B 19 -4.868 6.321 -0.998 1.00 0.46 O ATOM 1303 CB THR B 19 -2.240 4.448 -0.452 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.716 3.172 -0.798 1.00 0.56 O ATOM 1305 CG2 THR B 19 -2.995 4.209 0.856 1.00 0.48 C ATOM 0 H THR B 19 -1.429 4.342 -2.717 1.00 0.48 H new ATOM 0 HA THR B 19 -4.030 4.045 -1.570 1.00 0.44 H new ATOM 0 HB THR B 19 -1.529 5.263 -0.315 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.903 3.286 -1.333 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.283 4.003 1.655 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.576 5.096 1.108 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.665 3.358 0.739 1.00 0.48 H new ATOM 1313 N LEU B 20 -3.098 7.121 -2.047 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.669 8.490 -1.971 1.00 0.51 C ATOM 1315 C LEU B 20 -4.929 8.501 -2.814 1.00 0.53 C ATOM 1316 O LEU B 20 -5.957 8.998 -2.407 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.686 9.514 -2.537 1.00 0.57 C ATOM 1318 CG LEU B 20 -3.263 10.947 -2.439 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -3.540 11.336 -0.972 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -2.243 11.932 -3.033 1.00 1.25 C ATOM 0 H LEU B 20 -2.192 7.034 -2.507 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.878 8.749 -0.933 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.744 9.459 -1.992 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.467 9.277 -3.578 1.00 0.57 H new ATOM 0 HG LEU B 20 -4.203 10.983 -2.989 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -3.945 12.347 -0.934 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -4.260 10.641 -0.541 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -2.611 11.295 -0.403 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -2.637 12.946 -2.970 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -1.309 11.870 -2.474 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -2.058 11.679 -4.077 1.00 1.25 H new ATOM 1332 N THR B 21 -4.801 7.943 -3.979 1.00 0.59 N ATOM 1333 CA THR B 21 -5.960 7.904 -4.893 1.00 0.70 C ATOM 1334 C THR B 21 -7.142 7.262 -4.160 1.00 0.63 C ATOM 1335 O THR B 21 -8.264 7.724 -4.240 1.00 0.69 O ATOM 1336 CB THR B 21 -5.525 7.093 -6.099 1.00 0.85 C ATOM 1337 OG1 THR B 21 -4.182 7.525 -6.280 1.00 0.87 O ATOM 1338 CG2 THR B 21 -6.254 7.569 -7.367 1.00 1.02 C ATOM 0 H THR B 21 -3.946 7.515 -4.334 1.00 0.59 H new ATOM 0 HA THR B 21 -6.281 8.894 -5.216 1.00 0.70 H new ATOM 0 HB THR B 21 -5.696 6.026 -5.953 1.00 0.85 H new ATOM 0 HG1 THR B 21 -3.789 7.058 -7.046 1.00 0.87 H new ATOM 0 HG21 THR B 21 -5.927 6.974 -8.220 1.00 1.02 H new ATOM 0 HG22 THR B 21 -7.330 7.452 -7.234 1.00 1.02 H new ATOM 0 HG23 THR B 21 -6.023 8.619 -7.547 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.862 6.206 -3.454 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.968 5.536 -2.727 1.00 0.52 C ATOM 1348 C LEU B 22 -8.384 6.375 -1.542 1.00 0.45 C ATOM 1349 O LEU B 22 -9.521 6.330 -1.133 1.00 0.49 O ATOM 1350 CB LEU B 22 -7.512 4.160 -2.228 1.00 0.59 C ATOM 1351 CG LEU B 22 -7.629 3.069 -3.332 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -9.116 2.711 -3.536 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.071 3.564 -4.681 1.00 1.25 C ATOM 0 H LEU B 22 -5.938 5.786 -3.350 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.811 5.416 -3.408 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.478 4.222 -1.888 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -8.113 3.870 -1.367 1.00 0.59 H new ATOM 0 HG LEU B 22 -7.052 2.204 -3.006 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -9.204 1.947 -4.308 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -9.530 2.332 -2.602 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -9.666 3.601 -3.842 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -7.170 2.775 -5.427 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -7.629 4.442 -5.005 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -6.019 3.825 -4.566 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.477 7.130 -1.006 1.00 0.43 N ATOM 1366 CA LEU B 23 -7.850 7.949 0.173 1.00 0.44 C ATOM 1367 C LEU B 23 -8.959 8.884 -0.264 1.00 0.48 C ATOM 1368 O LEU B 23 -10.024 8.947 0.317 1.00 0.52 O ATOM 1369 CB LEU B 23 -6.642 8.772 0.637 1.00 0.53 C ATOM 1370 CG LEU B 23 -6.948 9.518 1.952 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -6.972 8.517 3.101 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -5.836 10.549 2.206 1.00 1.05 C ATOM 0 H LEU B 23 -6.512 7.217 -1.324 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.174 7.314 0.997 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -5.784 8.115 0.780 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.369 9.490 -0.136 1.00 0.53 H new ATOM 0 HG LEU B 23 -7.914 10.019 1.881 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -7.188 9.039 4.033 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -7.744 7.770 2.916 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -6.002 8.026 3.176 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -6.041 11.084 3.134 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -4.877 10.037 2.286 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -5.801 11.258 1.379 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.646 9.588 -1.308 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.598 10.573 -1.858 1.00 0.71 C ATOM 1386 C GLU B 24 -10.867 9.900 -2.346 1.00 0.67 C ATOM 1387 O GLU B 24 -11.942 10.204 -1.886 1.00 0.69 O ATOM 1388 CB GLU B 24 -8.892 11.301 -3.004 1.00 0.90 C ATOM 1389 CG GLU B 24 -9.769 12.377 -3.617 1.00 1.37 C ATOM 1390 CD GLU B 24 -8.933 12.989 -4.730 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -8.079 13.782 -4.382 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -9.196 12.620 -5.860 1.00 1.84 O ATOM 0 H GLU B 24 -7.759 9.520 -1.808 1.00 0.57 H new ATOM 0 HA GLU B 24 -9.898 11.278 -1.083 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -7.970 11.751 -2.635 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.610 10.581 -3.772 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -10.695 11.955 -4.007 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -10.048 13.127 -2.876 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.743 8.990 -3.263 1.00 0.67 N ATOM 1400 CA LYS B 25 -11.990 8.363 -3.768 1.00 0.72 C ATOM 1401 C LYS B 25 -12.803 7.688 -2.677 1.00 0.68 C ATOM 1402 O LYS B 25 -14.014 7.724 -2.715 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.642 7.339 -4.861 1.00 0.81 C ATOM 1404 CG LYS B 25 -11.486 8.087 -6.213 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.206 8.940 -6.306 1.00 1.36 C ATOM 1406 CE LYS B 25 -10.527 10.190 -7.141 1.00 1.57 C ATOM 1407 NZ LYS B 25 -11.468 11.070 -6.398 1.00 1.86 N ATOM 0 H LYS B 25 -9.869 8.661 -3.673 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.608 9.164 -4.173 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.719 6.817 -4.609 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.425 6.584 -4.935 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -11.486 7.358 -7.023 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -12.353 8.731 -6.364 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -9.864 9.224 -5.311 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -9.401 8.369 -6.769 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -9.609 10.733 -7.366 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -10.966 9.897 -8.095 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -12.255 11.341 -7.021 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -11.840 10.561 -5.571 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -10.967 11.925 -6.082 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.160 7.086 -1.724 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.983 6.448 -0.665 1.00 0.67 C ATOM 1423 C LEU B 26 -13.692 7.581 0.046 1.00 0.65 C ATOM 1424 O LEU B 26 -14.817 7.444 0.473 1.00 0.73 O ATOM 1425 CB LEU B 26 -12.091 5.692 0.326 1.00 0.68 C ATOM 1426 CG LEU B 26 -11.533 4.417 -0.352 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -10.412 3.839 0.527 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -12.642 3.353 -0.477 1.00 1.22 C ATOM 0 H LEU B 26 -11.147 7.007 -1.630 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.684 5.729 -1.088 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.271 6.331 0.654 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.662 5.424 1.215 1.00 0.68 H new ATOM 0 HG LEU B 26 -11.159 4.676 -1.343 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -10.010 2.940 0.060 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.617 4.577 0.636 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.812 3.590 1.510 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -12.238 2.461 -0.955 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -13.013 3.096 0.515 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -13.460 3.749 -1.079 1.00 1.22 H new ATOM 1440 N ASN B 27 -12.998 8.678 0.142 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.594 9.859 0.822 1.00 0.66 C ATOM 1442 C ASN B 27 -14.840 10.269 0.061 1.00 0.68 C ATOM 1443 O ASN B 27 -15.843 10.624 0.638 1.00 0.79 O ATOM 1444 CB ASN B 27 -12.619 11.024 0.812 1.00 0.76 C ATOM 1445 CG ASN B 27 -13.113 12.065 1.799 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -13.638 13.099 1.430 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -12.948 11.811 3.064 1.00 1.70 N ATOM 0 H ASN B 27 -12.052 8.808 -0.217 1.00 0.60 H new ATOM 0 HA ASN B 27 -13.830 9.599 1.854 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -11.620 10.685 1.085 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -12.548 11.452 -0.188 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -13.261 12.484 3.764 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -12.506 10.939 3.356 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.749 10.205 -1.238 1.00 0.70 N ATOM 1455 CA GLU B 28 -15.922 10.600 -2.060 1.00 0.83 C ATOM 1456 C GLU B 28 -17.058 9.619 -1.827 1.00 0.86 C ATOM 1457 O GLU B 28 -18.215 9.956 -1.986 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.533 10.589 -3.536 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.389 11.577 -3.769 1.00 1.12 C ATOM 1460 CD GLU B 28 -13.997 11.509 -5.238 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -14.023 10.409 -5.761 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -13.682 12.550 -5.782 1.00 2.61 O ATOM 0 H GLU B 28 -13.926 9.901 -1.758 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.245 11.602 -1.776 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.228 9.586 -3.835 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.391 10.858 -4.151 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -14.699 12.588 -3.504 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -13.537 11.329 -3.136 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.710 8.418 -1.466 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.774 7.409 -1.217 1.00 0.98 C ATOM 1471 C LEU B 29 -18.180 7.475 0.242 1.00 1.03 C ATOM 1472 O LEU B 29 -18.704 6.505 0.752 1.00 1.19 O ATOM 1473 CB LEU B 29 -17.257 5.999 -1.516 1.00 1.02 C ATOM 1474 CG LEU B 29 -16.805 5.895 -2.991 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -16.204 4.499 -3.227 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -18.008 6.082 -3.938 1.00 1.43 C ATOM 0 H LEU B 29 -15.752 8.094 -1.334 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.623 7.624 -1.866 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -16.423 5.762 -0.855 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -18.040 5.267 -1.316 1.00 1.02 H new ATOM 0 HG LEU B 29 -16.068 6.672 -3.193 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -15.881 4.413 -4.264 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -15.348 4.355 -2.567 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -16.956 3.739 -3.017 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -17.672 6.006 -4.972 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -18.751 5.309 -3.740 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -18.452 7.063 -3.772 1.00 1.43 H new ATOM 1488 N ASP B 30 -17.927 8.599 0.861 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.265 8.791 2.305 1.00 1.11 C ATOM 1490 C ASP B 30 -17.675 7.643 3.095 1.00 1.16 C ATOM 1491 O ASP B 30 -18.110 7.340 4.188 1.00 1.63 O ATOM 1492 CB ASP B 30 -19.790 8.793 2.538 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.435 10.031 1.914 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -19.768 10.665 1.114 1.00 2.45 O ATOM 1495 OD2 ASP B 30 -21.574 10.275 2.278 1.00 2.23 O ATOM 0 H ASP B 30 -17.492 9.408 0.418 1.00 0.98 H new ATOM 0 HA ASP B 30 -17.861 9.752 2.622 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.229 7.893 2.107 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -19.999 8.769 3.608 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.685 7.026 2.518 1.00 0.84 N ATOM 1501 CA ALA B 31 -16.039 5.877 3.195 1.00 0.87 C ATOM 1502 C ALA B 31 -14.803 6.425 3.861 1.00 0.76 C ATOM 1503 O ALA B 31 -13.696 5.984 3.612 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.630 4.806 2.182 1.00 0.89 C ATOM 0 H ALA B 31 -16.297 7.270 1.607 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.724 5.416 3.907 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -15.158 3.973 2.703 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -16.514 4.449 1.653 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.926 5.232 1.467 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.036 7.388 4.701 1.00 0.85 N ATOM 1511 CA ASP B 32 -13.898 8.017 5.409 1.00 0.87 C ATOM 1512 C ASP B 32 -13.243 7.068 6.372 1.00 0.79 C ATOM 1513 O ASP B 32 -12.096 7.259 6.711 1.00 0.74 O ATOM 1514 CB ASP B 32 -14.353 9.234 6.195 1.00 1.11 C ATOM 1515 CG ASP B 32 -14.547 10.379 5.210 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -15.023 10.088 4.126 1.00 2.57 O ATOM 1517 OD2 ASP B 32 -14.204 11.482 5.598 1.00 2.83 O ATOM 0 H ASP B 32 -15.957 7.763 4.926 1.00 0.85 H new ATOM 0 HA ASP B 32 -13.182 8.306 4.639 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -15.283 9.022 6.722 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -13.612 9.500 6.949 1.00 1.11 H new ATOM 1522 N GLU B 33 -13.939 6.063 6.813 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.249 5.147 7.754 1.00 0.90 C ATOM 1524 C GLU B 33 -12.286 4.311 6.930 1.00 0.78 C ATOM 1525 O GLU B 33 -11.247 3.894 7.400 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.275 4.235 8.487 1.00 1.07 C ATOM 1527 CG GLU B 33 -15.653 4.182 7.818 1.00 1.58 C ATOM 1528 CD GLU B 33 -15.533 3.451 6.496 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -15.544 2.235 6.531 1.00 2.15 O ATOM 1530 OE2 GLU B 33 -15.435 4.148 5.508 1.00 2.11 O ATOM 0 H GLU B 33 -14.907 5.842 6.578 1.00 0.86 H new ATOM 0 HA GLU B 33 -12.717 5.711 8.520 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -13.871 3.224 8.544 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.393 4.589 9.511 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -16.367 3.673 8.466 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -16.032 5.191 7.657 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.632 4.074 5.701 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.689 3.285 4.884 1.00 0.67 C ATOM 1539 C GLN B 34 -10.608 4.267 4.538 1.00 0.57 C ATOM 1540 O GLN B 34 -9.473 3.895 4.335 1.00 0.53 O ATOM 1541 CB GLN B 34 -12.339 2.786 3.597 1.00 0.72 C ATOM 1542 CG GLN B 34 -13.430 1.800 3.950 1.00 0.88 C ATOM 1543 CD GLN B 34 -12.773 0.718 4.805 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -11.900 0.008 4.345 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -13.154 0.558 6.041 1.00 1.80 N ATOM 0 H GLN B 34 -13.491 4.379 5.244 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.336 2.402 5.417 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.754 3.623 3.035 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.594 2.312 2.958 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -14.235 2.291 4.496 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -13.871 1.370 3.051 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -13.886 1.152 6.430 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -12.720 -0.161 6.619 1.00 1.80 H new ATOM 1554 N ALA B 35 -10.982 5.513 4.476 1.00 0.58 N ATOM 1555 CA ALA B 35 -9.943 6.514 4.148 1.00 0.56 C ATOM 1556 C ALA B 35 -9.014 6.557 5.347 1.00 0.56 C ATOM 1557 O ALA B 35 -7.836 6.789 5.205 1.00 0.54 O ATOM 1558 CB ALA B 35 -10.553 7.902 3.943 1.00 0.65 C ATOM 0 H ALA B 35 -11.925 5.869 4.632 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.430 6.242 3.226 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -9.764 8.615 3.703 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.271 7.867 3.123 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.060 8.215 4.856 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.561 6.328 6.507 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.701 6.363 7.726 1.00 0.67 C ATOM 1566 C ASP B 36 -7.656 5.287 7.635 1.00 0.60 C ATOM 1567 O ASP B 36 -6.471 5.537 7.673 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.487 6.087 8.990 1.00 0.79 C ATOM 1569 CG ASP B 36 -8.453 5.799 10.076 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -7.847 6.766 10.502 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -8.329 4.631 10.410 1.00 1.67 O ATOM 0 H ASP B 36 -10.547 6.122 6.665 1.00 0.62 H new ATOM 0 HA ASP B 36 -8.267 7.362 7.772 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -10.106 6.943 9.259 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -10.157 5.238 8.855 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.139 4.090 7.513 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.203 2.949 7.423 1.00 0.52 C ATOM 1578 C ILE B 37 -6.304 3.178 6.210 1.00 0.47 C ATOM 1579 O ILE B 37 -5.144 2.814 6.197 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.032 1.665 7.272 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -8.990 1.567 8.483 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.092 0.444 7.254 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -9.914 0.353 8.321 1.00 1.12 C ATOM 0 H ILE B 37 -9.131 3.854 7.472 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.579 2.858 8.312 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.600 1.686 6.342 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -8.416 1.478 9.405 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.583 2.478 8.563 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -7.681 -0.467 7.147 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.400 0.530 6.416 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.529 0.404 8.187 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.586 0.290 9.177 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.499 0.460 7.408 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.314 -0.555 8.263 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.866 3.788 5.208 1.00 0.45 N ATOM 1596 CA CYS B 38 -6.064 4.029 3.984 1.00 0.47 C ATOM 1597 C CYS B 38 -5.019 5.088 4.258 1.00 0.50 C ATOM 1598 O CYS B 38 -4.001 5.099 3.603 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.966 4.506 2.845 1.00 0.48 C ATOM 1600 SG CYS B 38 -6.212 4.800 1.227 1.00 0.70 S ATOM 0 H CYS B 38 -7.829 4.124 5.183 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.581 3.095 3.696 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.757 3.768 2.715 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.444 5.433 3.164 1.00 0.48 H new ATOM 0 HG CYS B 38 -6.609 3.887 0.391 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.273 5.951 5.198 1.00 0.54 N ATOM 1607 CA GLU B 39 -4.265 7.000 5.487 1.00 0.62 C ATOM 1608 C GLU B 39 -3.192 6.246 6.250 1.00 0.58 C ATOM 1609 O GLU B 39 -2.020 6.312 5.951 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.875 8.097 6.372 1.00 0.75 C ATOM 1611 CG GLU B 39 -4.153 9.426 6.118 1.00 1.35 C ATOM 1612 CD GLU B 39 -2.664 9.252 6.411 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -2.379 8.876 7.533 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -1.900 9.502 5.495 1.00 2.82 O ATOM 0 H GLU B 39 -6.118 5.976 5.768 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.891 7.496 4.592 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.938 8.203 6.156 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -4.789 7.820 7.423 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -4.298 9.741 5.085 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -4.572 10.208 6.751 1.00 1.35 H new ATOM 1621 N SER B 40 -3.631 5.526 7.235 1.00 0.63 N ATOM 1622 CA SER B 40 -2.670 4.744 8.033 1.00 0.64 C ATOM 1623 C SER B 40 -1.820 3.897 7.085 1.00 0.58 C ATOM 1624 O SER B 40 -0.667 3.624 7.344 1.00 0.63 O ATOM 1625 CB SER B 40 -3.485 3.888 8.988 1.00 0.72 C ATOM 1626 OG SER B 40 -4.311 4.856 9.624 1.00 0.77 O ATOM 0 H SER B 40 -4.608 5.447 7.518 1.00 0.63 H new ATOM 0 HA SER B 40 -1.990 5.375 8.606 1.00 0.64 H new ATOM 0 HB2 SER B 40 -4.071 3.135 8.461 1.00 0.72 H new ATOM 0 HB3 SER B 40 -2.853 3.359 9.702 1.00 0.72 H new ATOM 0 HG SER B 40 -4.894 4.412 10.274 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.409 3.498 5.996 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.646 2.673 5.026 1.00 0.53 C ATOM 1634 C LEU B 41 -0.715 3.650 4.307 1.00 0.50 C ATOM 1635 O LEU B 41 0.453 3.387 4.102 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.630 2.037 4.034 1.00 0.56 C ATOM 1637 CG LEU B 41 -2.073 0.774 3.326 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -3.061 0.374 2.219 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -0.683 0.988 2.701 1.00 1.22 C ATOM 0 H LEU B 41 -3.374 3.704 5.738 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.084 1.870 5.502 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.545 1.772 4.563 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -2.900 2.776 3.280 1.00 0.56 H new ATOM 0 HG LEU B 41 -1.962 -0.005 4.080 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -2.692 -0.513 1.705 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -4.034 0.159 2.660 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -3.159 1.192 1.506 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -0.353 0.066 2.223 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -0.737 1.783 1.957 1.00 1.22 H new ATOM 0 HD23 LEU B 41 0.027 1.267 3.480 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.291 4.763 3.959 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.566 5.829 3.216 1.00 0.53 C ATOM 1653 C HIS B 42 0.762 6.113 3.890 1.00 0.55 C ATOM 1654 O HIS B 42 1.785 6.045 3.241 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.440 7.099 3.200 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.985 8.173 2.202 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.799 8.022 0.929 1.00 0.61 N ATOM 1658 CD2 HIS B 42 -0.692 9.511 2.427 1.00 1.21 C ATOM 1659 CE1 HIS B 42 -0.428 9.149 0.409 1.00 0.64 C ATOM 1660 NE2 HIS B 42 -0.347 10.101 1.302 1.00 1.13 N ATOM 0 H HIS B 42 -2.265 4.985 4.165 1.00 0.50 H new ATOM 0 HA HIS B 42 -0.371 5.506 2.193 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -2.466 6.815 2.966 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.449 7.531 4.201 1.00 0.54 H new ATOM 0 HD2 HIS B 42 -0.740 9.999 3.389 1.00 1.21 H new ATOM 0 HE1 HIS B 42 -0.211 9.286 -0.640 1.00 0.64 H new ATOM 0 HE2 HIS B 42 -0.079 11.075 1.160 1.00 1.13 H new ATOM 1668 N ASP B 43 0.750 6.414 5.159 1.00 0.56 N ATOM 1669 CA ASP B 43 2.073 6.711 5.780 1.00 0.64 C ATOM 1670 C ASP B 43 2.735 5.495 6.384 1.00 0.60 C ATOM 1671 O ASP B 43 3.927 5.505 6.596 1.00 0.62 O ATOM 1672 CB ASP B 43 1.946 7.747 6.886 1.00 0.80 C ATOM 1673 CG ASP B 43 3.343 8.337 7.088 1.00 1.22 C ATOM 1674 OD1 ASP B 43 3.756 9.054 6.193 1.00 1.86 O ATOM 1675 OD2 ASP B 43 3.925 8.045 8.114 1.00 1.51 O ATOM 0 H ASP B 43 -0.068 6.466 5.766 1.00 0.56 H new ATOM 0 HA ASP B 43 2.687 7.084 4.960 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.233 8.524 6.610 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.581 7.290 7.806 1.00 0.80 H new ATOM 1680 N HIS B 44 2.002 4.458 6.668 1.00 0.60 N ATOM 1681 CA HIS B 44 2.715 3.280 7.244 1.00 0.63 C ATOM 1682 C HIS B 44 3.670 2.818 6.167 1.00 0.60 C ATOM 1683 O HIS B 44 4.839 2.584 6.404 1.00 0.68 O ATOM 1684 CB HIS B 44 1.749 2.137 7.559 1.00 0.65 C ATOM 1685 CG HIS B 44 2.531 0.865 7.924 1.00 1.02 C ATOM 1686 ND1 HIS B 44 3.801 0.785 8.169 1.00 1.67 N ATOM 1687 CD2 HIS B 44 2.078 -0.437 8.068 1.00 1.54 C ATOM 1688 CE1 HIS B 44 4.117 -0.440 8.439 1.00 2.24 C ATOM 1689 NE2 HIS B 44 3.077 -1.235 8.388 1.00 2.16 N ATOM 0 H HIS B 44 0.994 4.370 6.537 1.00 0.60 H new ATOM 0 HA HIS B 44 3.213 3.555 8.174 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.096 2.420 8.384 1.00 0.65 H new ATOM 0 HB3 HIS B 44 1.109 1.944 6.698 1.00 0.65 H new ATOM 0 HD1 HIS B 44 4.453 1.569 8.152 1.00 1.67 H new ATOM 0 HD2 HIS B 44 1.053 -0.752 7.937 1.00 1.54 H new ATOM 0 HE1 HIS B 44 5.118 -0.768 8.678 1.00 2.24 H new ATOM 1697 N ALA B 45 3.128 2.701 4.992 1.00 0.57 N ATOM 1698 CA ALA B 45 3.978 2.259 3.864 1.00 0.62 C ATOM 1699 C ALA B 45 5.043 3.315 3.690 1.00 0.59 C ATOM 1700 O ALA B 45 6.148 3.035 3.271 1.00 0.61 O ATOM 1701 CB ALA B 45 3.170 2.167 2.573 1.00 0.70 C ATOM 0 H ALA B 45 2.151 2.889 4.767 1.00 0.57 H new ATOM 0 HA ALA B 45 4.396 1.274 4.073 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.819 1.840 1.760 1.00 0.70 H new ATOM 0 HB2 ALA B 45 2.360 1.450 2.701 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.754 3.146 2.334 1.00 0.70 H new ATOM 1707 N ASP B 46 4.685 4.519 4.020 1.00 0.60 N ATOM 1708 CA ASP B 46 5.688 5.598 3.851 1.00 0.65 C ATOM 1709 C ASP B 46 6.784 5.460 4.870 1.00 0.65 C ATOM 1710 O ASP B 46 7.892 5.871 4.624 1.00 0.65 O ATOM 1711 CB ASP B 46 5.106 6.949 4.065 1.00 0.76 C ATOM 1712 CG ASP B 46 6.120 7.986 3.600 1.00 0.88 C ATOM 1713 OD1 ASP B 46 6.605 7.837 2.494 1.00 1.04 O ATOM 1714 OD2 ASP B 46 6.352 8.889 4.381 1.00 1.45 O ATOM 0 H ASP B 46 3.775 4.797 4.387 1.00 0.60 H new ATOM 0 HA ASP B 46 6.057 5.501 2.830 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.174 7.053 3.509 1.00 0.76 H new ATOM 0 HB3 ASP B 46 4.867 7.097 5.118 1.00 0.76 H new ATOM 1719 N GLU B 47 6.479 4.897 5.998 1.00 0.71 N ATOM 1720 CA GLU B 47 7.550 4.757 7.013 1.00 0.81 C ATOM 1721 C GLU B 47 8.547 3.807 6.367 1.00 0.75 C ATOM 1722 O GLU B 47 9.746 3.983 6.442 1.00 0.81 O ATOM 1723 CB GLU B 47 6.973 4.139 8.294 1.00 0.97 C ATOM 1724 CG GLU B 47 7.883 4.432 9.498 1.00 1.17 C ATOM 1725 CD GLU B 47 7.821 5.924 9.821 1.00 1.52 C ATOM 1726 OE1 GLU B 47 6.769 6.482 9.576 1.00 1.97 O ATOM 1727 OE2 GLU B 47 8.820 6.438 10.293 1.00 2.02 O ATOM 0 H GLU B 47 5.561 4.536 6.258 1.00 0.71 H new ATOM 0 HA GLU B 47 8.002 5.708 7.293 1.00 0.81 H new ATOM 0 HB2 GLU B 47 5.976 4.539 8.480 1.00 0.97 H new ATOM 0 HB3 GLU B 47 6.865 3.062 8.167 1.00 0.97 H new ATOM 0 HG2 GLU B 47 7.565 3.847 10.361 1.00 1.17 H new ATOM 0 HG3 GLU B 47 8.909 4.138 9.274 1.00 1.17 H new ATOM 1734 N LEU B 48 7.998 2.804 5.738 1.00 0.72 N ATOM 1735 CA LEU B 48 8.876 1.808 5.072 1.00 0.77 C ATOM 1736 C LEU B 48 9.599 2.521 3.944 1.00 0.68 C ATOM 1737 O LEU B 48 10.663 2.106 3.528 1.00 0.93 O ATOM 1738 CB LEU B 48 8.010 0.649 4.523 1.00 0.85 C ATOM 1739 CG LEU B 48 8.866 -0.409 3.776 1.00 0.87 C ATOM 1740 CD1 LEU B 48 9.930 -1.019 4.706 1.00 1.52 C ATOM 1741 CD2 LEU B 48 7.946 -1.536 3.276 1.00 1.40 C ATOM 0 H LEU B 48 6.995 2.634 5.658 1.00 0.72 H new ATOM 0 HA LEU B 48 9.600 1.388 5.770 1.00 0.77 H new ATOM 0 HB2 LEU B 48 7.479 0.171 5.346 1.00 0.85 H new ATOM 0 HB3 LEU B 48 7.255 1.049 3.846 1.00 0.85 H new ATOM 0 HG LEU B 48 9.368 0.082 2.942 1.00 0.87 H new ATOM 0 HD11 LEU B 48 10.514 -1.757 4.156 1.00 1.52 H new ATOM 0 HD12 LEU B 48 10.590 -0.231 5.070 1.00 1.52 H new ATOM 0 HD13 LEU B 48 9.440 -1.502 5.552 1.00 1.52 H new ATOM 0 HD21 LEU B 48 8.539 -2.284 2.750 1.00 1.40 H new ATOM 0 HD22 LEU B 48 7.446 -2.001 4.125 1.00 1.40 H new ATOM 0 HD23 LEU B 48 7.200 -1.122 2.598 1.00 1.40 H new ATOM 1753 N TYR B 49 9.006 3.577 3.466 1.00 0.59 N ATOM 1754 CA TYR B 49 9.668 4.323 2.372 1.00 0.54 C ATOM 1755 C TYR B 49 10.539 5.402 3.005 1.00 0.59 C ATOM 1756 O TYR B 49 11.671 5.135 3.329 1.00 0.82 O ATOM 1757 CB TYR B 49 8.605 4.963 1.452 1.00 0.61 C ATOM 1758 CG TYR B 49 9.340 5.771 0.385 1.00 0.64 C ATOM 1759 CD1 TYR B 49 10.187 5.136 -0.490 1.00 1.33 C ATOM 1760 CD2 TYR B 49 9.180 7.138 0.284 1.00 1.29 C ATOM 1761 CE1 TYR B 49 10.865 5.843 -1.450 1.00 1.40 C ATOM 1762 CE2 TYR B 49 9.859 7.850 -0.675 1.00 1.32 C ATOM 1763 CZ TYR B 49 10.708 7.204 -1.550 1.00 0.85 C ATOM 1764 OH TYR B 49 11.399 7.912 -2.511 1.00 0.99 O ATOM 0 H TYR B 49 8.109 3.948 3.780 1.00 0.59 H new ATOM 0 HA TYR B 49 10.279 3.653 1.767 1.00 0.54 H new ATOM 0 HB2 TYR B 49 7.986 4.194 0.990 1.00 0.61 H new ATOM 0 HB3 TYR B 49 7.939 5.606 2.027 1.00 0.61 H new ATOM 0 HD1 TYR B 49 10.321 4.067 -0.421 1.00 1.33 H new ATOM 0 HD2 TYR B 49 8.516 7.652 0.964 1.00 1.29 H new ATOM 0 HE1 TYR B 49 11.526 5.327 -2.131 1.00 1.40 H new ATOM 0 HE2 TYR B 49 9.728 8.920 -0.744 1.00 1.32 H new ATOM 0 HH TYR B 49 12.349 7.672 -2.474 1.00 0.99 H new ATOM 1774 N ARG B 50 9.978 6.567 3.165 1.00 0.71 N ATOM 1775 CA ARG B 50 10.634 7.774 3.746 1.00 0.95 C ATOM 1776 C ARG B 50 11.762 7.535 4.754 1.00 1.15 C ATOM 1777 O ARG B 50 12.927 7.702 4.444 1.00 1.19 O ATOM 1778 CB ARG B 50 9.513 8.590 4.386 1.00 1.20 C ATOM 1779 CG ARG B 50 9.997 9.885 5.036 1.00 1.44 C ATOM 1780 CD ARG B 50 9.469 9.896 6.481 1.00 1.54 C ATOM 1781 NE ARG B 50 8.021 9.548 6.485 1.00 1.70 N ATOM 1782 CZ ARG B 50 7.546 8.781 7.442 1.00 1.79 C ATOM 1783 NH1 ARG B 50 8.143 8.804 8.614 1.00 2.21 N ATOM 1784 NH2 ARG B 50 6.498 8.031 7.184 1.00 2.29 N ATOM 0 H ARG B 50 9.011 6.741 2.892 1.00 0.71 H new ATOM 0 HA ARG B 50 11.151 8.283 2.933 1.00 0.95 H new ATOM 0 HB2 ARG B 50 8.770 8.830 3.626 1.00 1.20 H new ATOM 0 HB3 ARG B 50 9.014 7.979 5.138 1.00 1.20 H new ATOM 0 HG2 ARG B 50 11.086 9.937 5.024 1.00 1.44 H new ATOM 0 HG3 ARG B 50 9.630 10.752 4.486 1.00 1.44 H new ATOM 0 HD2 ARG B 50 10.027 9.183 7.088 1.00 1.54 H new ATOM 0 HD3 ARG B 50 9.618 10.880 6.926 1.00 1.54 H new ATOM 0 HE ARG B 50 7.404 9.901 5.753 1.00 1.70 H new ATOM 0 HH11 ARG B 50 8.953 9.406 8.762 1.00 2.21 H new ATOM 0 HH12 ARG B 50 7.796 8.220 9.375 1.00 2.21 H new ATOM 0 HH21 ARG B 50 6.071 8.052 6.258 1.00 2.29 H new ATOM 0 HH22 ARG B 50 6.111 7.428 7.910 1.00 2.29 H new ATOM 1798 N SER B 51 11.370 7.161 5.937 1.00 1.40 N ATOM 1799 CA SER B 51 12.357 6.926 7.020 1.00 1.77 C ATOM 1800 C SER B 51 13.505 6.070 6.503 1.00 1.70 C ATOM 1801 O SER B 51 14.659 6.425 6.567 1.00 1.91 O ATOM 1802 CB SER B 51 11.605 6.250 8.132 1.00 2.04 C ATOM 1803 OG SER B 51 10.386 6.980 8.082 1.00 2.11 O ATOM 0 H SER B 51 10.397 7.007 6.201 1.00 1.40 H new ATOM 0 HA SER B 51 12.804 7.853 7.378 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.461 5.185 7.951 1.00 2.04 H new ATOM 0 HB3 SER B 51 12.109 6.345 9.094 1.00 2.04 H new ATOM 0 HG SER B 51 9.898 6.859 8.923 1.00 2.11 H new ATOM 1809 N CYS B 52 13.153 4.941 5.985 1.00 1.50 N ATOM 1810 CA CYS B 52 14.198 4.036 5.455 1.00 1.60 C ATOM 1811 C CYS B 52 14.881 4.670 4.265 1.00 1.30 C ATOM 1812 O CYS B 52 16.030 4.397 4.000 1.00 1.42 O ATOM 1813 CB CYS B 52 13.518 2.750 5.043 1.00 1.71 C ATOM 1814 SG CYS B 52 12.771 1.727 6.336 1.00 2.41 S ATOM 0 H CYS B 52 12.194 4.603 5.904 1.00 1.50 H new ATOM 0 HA CYS B 52 14.957 3.842 6.212 1.00 1.60 H new ATOM 0 HB2 CYS B 52 12.738 3.001 4.324 1.00 1.71 H new ATOM 0 HB3 CYS B 52 14.251 2.139 4.517 1.00 1.71 H new ATOM 0 HG CYS B 52 13.693 1.328 7.161 1.00 2.41 H new ATOM 1820 N LEU B 53 14.203 5.513 3.559 1.00 1.00 N ATOM 1821 CA LEU B 53 14.837 6.097 2.357 1.00 0.95 C ATOM 1822 C LEU B 53 16.042 6.863 2.820 1.00 1.09 C ATOM 1823 O LEU B 53 16.998 7.019 2.085 1.00 1.19 O ATOM 1824 CB LEU B 53 13.886 7.046 1.672 1.00 0.98 C ATOM 1825 CG LEU B 53 14.411 7.381 0.276 1.00 1.21 C ATOM 1826 CD1 LEU B 53 14.294 6.147 -0.638 1.00 1.56 C ATOM 1827 CD2 LEU B 53 13.602 8.553 -0.252 1.00 1.58 C ATOM 0 H LEU B 53 13.251 5.821 3.755 1.00 1.00 H new ATOM 0 HA LEU B 53 15.108 5.310 1.653 1.00 0.95 H new ATOM 0 HB2 LEU B 53 12.896 6.596 1.601 1.00 0.98 H new ATOM 0 HB3 LEU B 53 13.780 7.958 2.260 1.00 0.98 H new ATOM 0 HG LEU B 53 15.465 7.656 0.307 1.00 1.21 H new ATOM 0 HD11 LEU B 53 14.670 6.393 -1.631 1.00 1.56 H new ATOM 0 HD12 LEU B 53 14.880 5.328 -0.221 1.00 1.56 H new ATOM 0 HD13 LEU B 53 13.249 5.845 -0.710 1.00 1.56 H new ATOM 0 HD21 LEU B 53 13.953 8.817 -1.249 1.00 1.58 H new ATOM 0 HD22 LEU B 53 12.549 8.276 -0.299 1.00 1.58 H new ATOM 0 HD23 LEU B 53 13.723 9.408 0.414 1.00 1.58 H new ATOM 1839 N ALA B 54 15.925 7.307 4.036 1.00 1.32 N ATOM 1840 CA ALA B 54 17.031 8.064 4.671 1.00 1.66 C ATOM 1841 C ALA B 54 18.368 7.452 4.309 1.00 1.77 C ATOM 1842 O ALA B 54 19.165 8.008 3.581 1.00 2.00 O ATOM 1843 CB ALA B 54 16.903 8.007 6.169 1.00 1.85 C ATOM 0 H ALA B 54 15.101 7.176 4.623 1.00 1.32 H new ATOM 0 HA ALA B 54 16.975 9.093 4.316 1.00 1.66 H new ATOM 0 HB1 ALA B 54 17.720 8.566 6.626 1.00 1.85 H new ATOM 0 HB2 ALA B 54 15.951 8.445 6.470 1.00 1.85 H new ATOM 0 HB3 ALA B 54 16.945 6.969 6.499 1.00 1.85 H new ATOM 1849 N ARG B 55 18.554 6.287 4.843 1.00 1.75 N ATOM 1850 CA ARG B 55 19.823 5.560 4.628 1.00 1.93 C ATOM 1851 C ARG B 55 19.622 4.657 3.449 1.00 1.58 C ATOM 1852 O ARG B 55 20.319 4.686 2.455 1.00 1.71 O ATOM 1853 CB ARG B 55 20.081 4.778 5.865 1.00 2.36 C ATOM 1854 CG ARG B 55 21.568 4.514 6.019 1.00 2.73 C ATOM 1855 CD ARG B 55 21.881 4.385 7.528 1.00 3.04 C ATOM 1856 NE ARG B 55 21.368 5.590 8.252 1.00 2.92 N ATOM 1857 CZ ARG B 55 20.284 5.454 8.981 1.00 3.13 C ATOM 1858 NH1 ARG B 55 20.298 4.577 9.958 1.00 3.41 N ATOM 1859 NH2 ARG B 55 19.249 6.204 8.673 1.00 3.65 N ATOM 0 H ARG B 55 17.872 5.802 5.426 1.00 1.75 H new ATOM 0 HA ARG B 55 20.669 6.218 4.431 1.00 1.93 H new ATOM 0 HB2 ARG B 55 19.710 5.323 6.733 1.00 2.36 H new ATOM 0 HB3 ARG B 55 19.539 3.833 5.826 1.00 2.36 H new ATOM 0 HG2 ARG B 55 21.849 3.602 5.493 1.00 2.73 H new ATOM 0 HG3 ARG B 55 22.146 5.326 5.579 1.00 2.73 H new ATOM 0 HD2 ARG B 55 21.419 3.483 7.930 1.00 3.04 H new ATOM 0 HD3 ARG B 55 22.956 4.287 7.680 1.00 3.04 H new ATOM 0 HE ARG B 55 21.845 6.489 8.182 1.00 2.92 H new ATOM 0 HH11 ARG B 55 21.136 4.023 10.134 1.00 3.41 H new ATOM 0 HH12 ARG B 55 19.471 4.450 10.541 1.00 3.41 H new ATOM 0 HH21 ARG B 55 19.308 6.859 7.894 1.00 3.65 H new ATOM 0 HH22 ARG B 55 18.387 6.130 9.213 1.00 3.65 H new ATOM 1873 N PHE B 56 18.616 3.880 3.678 1.00 1.42 N ATOM 1874 CA PHE B 56 18.105 2.844 2.771 1.00 1.63 C ATOM 1875 C PHE B 56 17.733 1.750 3.738 1.00 2.45 C ATOM 1876 O PHE B 56 18.544 0.903 4.052 1.00 3.11 O ATOM 1877 CB PHE B 56 19.145 2.255 1.831 1.00 1.48 C ATOM 1878 CG PHE B 56 18.423 1.042 1.253 1.00 1.19 C ATOM 1879 CD1 PHE B 56 17.291 1.223 0.490 1.00 1.30 C ATOM 1880 CD2 PHE B 56 18.880 -0.236 1.513 1.00 1.63 C ATOM 1881 CE1 PHE B 56 16.613 0.136 -0.011 1.00 1.24 C ATOM 1882 CE2 PHE B 56 18.202 -1.325 1.010 1.00 1.51 C ATOM 1883 CZ PHE B 56 17.069 -1.139 0.248 1.00 0.99 C ATOM 0 H PHE B 56 18.082 3.935 4.545 1.00 1.42 H new ATOM 0 HA PHE B 56 17.322 3.251 2.131 1.00 1.63 H new ATOM 0 HB2 PHE B 56 19.436 2.962 1.054 1.00 1.48 H new ATOM 0 HB3 PHE B 56 20.055 1.971 2.360 1.00 1.48 H new ATOM 0 HD1 PHE B 56 16.934 2.221 0.284 1.00 1.30 H new ATOM 0 HD2 PHE B 56 19.768 -0.381 2.110 1.00 1.63 H new ATOM 0 HE1 PHE B 56 15.724 0.281 -0.607 1.00 1.24 H new ATOM 0 HE2 PHE B 56 18.558 -2.324 1.213 1.00 1.51 H new ATOM 0 HZ PHE B 56 16.538 -1.993 -0.147 1.00 0.99 H new ATOM 1893 N GLY B 57 16.529 1.798 4.209 1.00 2.70 N ATOM 1894 CA GLY B 57 16.125 0.709 5.136 1.00 3.77 C ATOM 1895 C GLY B 57 16.426 1.170 6.544 1.00 4.43 C ATOM 1896 O GLY B 57 15.544 1.604 7.255 1.00 4.85 O ATOM 0 H GLY B 57 15.828 2.511 4.007 1.00 2.70 H new ATOM 0 HA2 GLY B 57 15.064 0.486 5.025 1.00 3.77 H new ATOM 0 HA3 GLY B 57 16.669 -0.208 4.909 1.00 3.77 H new ATOM 1900 N ASP B 58 17.672 1.059 6.901 1.00 4.82 N ATOM 1901 CA ASP B 58 18.084 1.487 8.264 1.00 5.78 C ATOM 1902 C ASP B 58 17.678 2.942 8.394 1.00 6.31 C ATOM 1903 O ASP B 58 17.927 3.720 7.494 1.00 6.58 O ATOM 1904 CB ASP B 58 19.598 1.344 8.404 1.00 6.24 C ATOM 1905 CG ASP B 58 20.070 1.830 9.774 1.00 6.76 C ATOM 1906 OD1 ASP B 58 19.235 2.020 10.640 1.00 7.19 O ATOM 1907 OD2 ASP B 58 21.273 1.995 9.884 1.00 6.88 O ATOM 0 H ASP B 58 18.420 0.693 6.312 1.00 4.82 H new ATOM 0 HA ASP B 58 17.616 0.881 9.039 1.00 5.78 H new ATOM 0 HB2 ASP B 58 19.883 0.301 8.266 1.00 6.24 H new ATOM 0 HB3 ASP B 58 20.095 1.916 7.620 1.00 6.24 H new ATOM 1912 N ASP B 59 17.066 3.279 9.494 1.00 6.74 N ATOM 1913 CA ASP B 59 16.636 4.688 9.685 1.00 7.58 C ATOM 1914 C ASP B 59 17.427 5.198 10.869 1.00 8.01 C ATOM 1915 O ASP B 59 17.879 4.433 11.693 1.00 8.18 O ATOM 1916 CB ASP B 59 15.157 4.794 10.023 1.00 8.09 C ATOM 1917 CG ASP B 59 14.798 6.279 10.090 1.00 8.40 C ATOM 1918 OD1 ASP B 59 15.384 7.028 9.327 1.00 8.56 O ATOM 1919 OD2 ASP B 59 13.954 6.592 10.908 1.00 8.62 O ATOM 0 H ASP B 59 16.847 2.645 10.262 1.00 6.74 H new ATOM 0 HA ASP B 59 16.803 5.254 8.769 1.00 7.58 H new ATOM 0 HB2 ASP B 59 14.555 4.289 9.267 1.00 8.09 H new ATOM 0 HB3 ASP B 59 14.947 4.307 10.975 1.00 8.09 H new ATOM 1924 N GLY B 60 17.586 6.480 10.937 1.00 8.32 N ATOM 1925 CA GLY B 60 18.367 7.083 12.037 1.00 8.93 C ATOM 1926 C GLY B 60 18.088 8.545 11.803 1.00 9.28 C ATOM 1927 O GLY B 60 17.776 9.293 12.708 1.00 9.74 O ATOM 0 H GLY B 60 17.202 7.146 10.267 1.00 8.32 H new ATOM 0 HA2 GLY B 60 18.029 6.748 13.018 1.00 8.93 H new ATOM 0 HA3 GLY B 60 19.429 6.848 11.969 1.00 8.93 H new ATOM 1931 N GLU B 61 18.215 8.898 10.556 1.00 9.25 N ATOM 1932 CA GLU B 61 17.935 10.288 10.147 1.00 9.85 C ATOM 1933 C GLU B 61 16.445 10.202 9.852 1.00 10.44 C ATOM 1934 O GLU B 61 16.016 10.378 8.731 1.00 10.96 O ATOM 1935 CB GLU B 61 18.714 10.646 8.871 1.00 9.95 C ATOM 1936 CG GLU B 61 20.220 10.384 9.053 1.00 9.52 C ATOM 1937 CD GLU B 61 20.513 8.902 8.846 1.00 9.36 C ATOM 1938 OE1 GLU B 61 20.443 8.490 7.701 1.00 9.60 O ATOM 1939 OE2 GLU B 61 20.787 8.247 9.837 1.00 9.14 O ATOM 0 H GLU B 61 18.503 8.274 9.802 1.00 9.25 H new ATOM 0 HA GLU B 61 18.214 11.042 10.883 1.00 9.85 H new ATOM 0 HB2 GLU B 61 18.337 10.058 8.034 1.00 9.95 H new ATOM 0 HB3 GLU B 61 18.551 11.695 8.623 1.00 9.95 H new ATOM 0 HG2 GLU B 61 20.791 10.980 8.341 1.00 9.52 H new ATOM 0 HG3 GLU B 61 20.534 10.691 10.051 1.00 9.52 H new ATOM 1946 N ASN B 62 15.715 9.920 10.891 1.00 10.52 N ATOM 1947 CA ASN B 62 14.245 9.778 10.765 1.00 11.24 C ATOM 1948 C ASN B 62 13.644 11.045 10.227 1.00 11.48 C ATOM 1949 O ASN B 62 14.048 12.128 10.602 1.00 11.62 O ATOM 1950 CB ASN B 62 13.633 9.490 12.118 1.00 11.72 C ATOM 1951 CG ASN B 62 12.124 9.338 11.920 1.00 12.30 C ATOM 1952 OD1 ASN B 62 11.340 10.005 12.570 1.00 12.60 O ATOM 1953 ND2 ASN B 62 11.682 8.479 11.042 1.00 12.60 N ATOM 0 H ASN B 62 16.081 9.781 11.833 1.00 10.52 H new ATOM 0 HA ASN B 62 14.039 8.954 10.082 1.00 11.24 H new ATOM 0 HB2 ASN B 62 14.057 8.581 12.544 1.00 11.72 H new ATOM 0 HB3 ASN B 62 13.848 10.299 12.816 1.00 11.72 H new ATOM 0 HD21 ASN B 62 10.678 8.366 10.900 1.00 12.60 H new ATOM 0 HD22 ASN B 62 12.340 7.921 10.498 1.00 12.60 H new ATOM 1960 N LEU B 63 12.692 10.852 9.362 1.00 11.67 N ATOM 1961 CA LEU B 63 11.989 11.993 8.734 1.00 12.09 C ATOM 1962 C LEU B 63 10.547 11.642 9.008 1.00 12.33 C ATOM 1963 O LEU B 63 10.399 10.511 9.434 1.00 12.50 O ATOM 1964 CB LEU B 63 12.227 12.021 7.226 1.00 12.49 C ATOM 1965 CG LEU B 63 13.736 12.016 6.906 1.00 12.64 C ATOM 1966 CD1 LEU B 63 13.921 11.923 5.381 1.00 12.78 C ATOM 1967 CD2 LEU B 63 14.388 13.315 7.414 1.00 12.96 C ATOM 1968 OXT LEU B 63 9.701 12.484 8.778 1.00 12.46 O ATOM 0 H LEU B 63 12.368 9.933 9.060 1.00 11.67 H new ATOM 0 HA LEU B 63 12.309 12.965 9.110 1.00 12.09 H new ATOM 0 HB2 LEU B 63 11.750 11.157 6.763 1.00 12.49 H new ATOM 0 HB3 LEU B 63 11.763 12.909 6.797 1.00 12.49 H new ATOM 0 HG LEU B 63 14.207 11.164 7.397 1.00 12.64 H new ATOM 0 HD11 LEU B 63 14.985 11.919 5.143 1.00 12.78 H new ATOM 0 HD12 LEU B 63 13.463 11.004 5.014 1.00 12.78 H new ATOM 0 HD13 LEU B 63 13.446 12.780 4.904 1.00 12.78 H new ATOM 0 HD21 LEU B 63 15.453 13.302 7.183 1.00 12.96 H new ATOM 0 HD22 LEU B 63 13.922 14.171 6.926 1.00 12.96 H new ATOM 0 HD23 LEU B 63 14.251 13.393 8.493 1.00 12.96 H new TER 1980 LEU B 63