USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1614 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: B 66 ASN : amide:sc= -5.86! C(o=-8.1!,f=-6.3!) USER MOD Set 1.2: B 69 SER OG : rot -112:sc= -2.21 USER MOD Set 2.1: B 32 SER OG : rot -100:sc= -1.21! USER MOD Set 2.2: B 67 GLN : amide:sc= -9.47! C(o=-11!,f=-9.6!) USER MOD Set 3.1: A 15 THR OG1 : rot -142:sc= 0.909 USER MOD Set 3.2: B 15 THR OG1 : rot 139:sc= 1.06 USER MOD Set 4.1: A 85 LYS NZ :NH3+ -111:sc= -5.52! (180deg=-6.76!) USER MOD Set 4.2: B 7 THR OG1 : rot 121:sc= 1.07 USER MOD Set 5.1: A 32 SER OG : rot -100:sc= -1.3 USER MOD Set 5.2: A 67 GLN : amide:sc= -11.5! C(o=-13!,f=-12!) USER MOD Set 6.1: A 66 ASN : amide:sc= -5.13 K(o=-6.8,f=-4.8!) USER MOD Set 6.2: A 69 SER OG : rot -116:sc= -1.68 USER MOD Set 7.1: A 7 THR OG1 : rot 131:sc= 1.1 USER MOD Set 7.2: B 85 LYS NZ :NH3+ -97:sc= -5.09! (180deg=-5.49!) USER MOD Single : A 1 MET CE :methyl 147:sc= -1.59 (180deg=-5.22!) USER MOD Single : A 1 MET N :NH3+ -151:sc= -3.94! (180deg=-6.06!) USER MOD Single : A 5 THR OG1 : rot 96:sc= -0.825! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -75:sc= 0.59 USER MOD Single : A 22 THR OG1 : rot -75:sc= 1.04 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= -0.0308 (180deg=-0.225) USER MOD Single : A 34 ASN : amide:sc= -2.15 K(o=-2.1,f=-5.4!) USER MOD Single : A 36 ASN : amide:sc= -1.75! C(o=-1.8!,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -101:sc= -2.66! USER MOD Single : A 44 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.81) USER MOD Single : A 45 GLN : amide:sc= -12.8! C(o=-13!,f=-16!) USER MOD Single : A 48 HIS : no HE2:sc= -7.45! C(o=-7.4!,f=-8.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= -0.506 (180deg=-1.67!) USER MOD Single : A 62 THR OG1 : rot 53:sc= -0.616 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00505 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -1.41 (180deg=-2.39!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 147:sc= -1.15 (180deg=-3.79!) USER MOD Single : B 1 MET N :NH3+ -153:sc= -3.66! (180deg=-5.64!) USER MOD Single : B 5 THR OG1 : rot 97:sc= -0.35 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.591 USER MOD Single : B 22 THR OG1 : rot -77:sc= 0.769 USER MOD Single : B 30 LYS NZ :NH3+ -170:sc=-0.00574 (180deg=-0.15) USER MOD Single : B 34 ASN : amide:sc= -2.74! C(o=-2.7!,f=-5.5!) USER MOD Single : B 36 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -91:sc= -2.52! USER MOD Single : B 44 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.9) USER MOD Single : B 45 GLN : amide:sc= -12.8! C(o=-13!,f=-17!) USER MOD Single : B 48 HIS : no HE2:sc= -7.74! C(o=-7.7!,f=-8.8!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 145:sc= -0.422 (180deg=-1.6!) USER MOD Single : B 62 THR OG1 : rot 52:sc= 0.0117 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 170:sc= -0.609! (180deg=-1.14!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.866 4.166 -2.096 1.00 0.64 N ATOM 2 CA MET A 1 -18.284 5.463 -2.528 1.00 0.59 C ATOM 3 C MET A 1 -17.008 5.245 -3.328 1.00 0.60 C ATOM 4 O MET A 1 -16.667 4.118 -3.680 1.00 0.61 O ATOM 5 CB MET A 1 -17.966 6.357 -1.322 1.00 0.57 C ATOM 6 CG MET A 1 -19.044 7.408 -1.018 1.00 0.61 C ATOM 7 SD MET A 1 -20.738 6.782 -1.133 1.00 0.96 S ATOM 8 CE MET A 1 -21.681 8.241 -0.704 1.00 1.17 C ATOM 0 H1 MET A 1 -19.898 4.260 -2.009 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.644 3.434 -2.800 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.464 3.894 -1.176 1.00 0.64 H new ATOM 0 HA MET A 1 -19.028 5.956 -3.154 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.830 5.727 -0.443 1.00 0.57 H new ATOM 0 HB3 MET A 1 -17.018 6.865 -1.500 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.880 7.801 -0.015 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.928 8.242 -1.710 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.622 8.240 -1.254 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.886 8.240 0.367 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.110 9.133 -0.963 1.00 1.17 H new ATOM 20 N ALA A 2 -16.329 6.343 -3.634 1.00 0.62 N ATOM 21 CA ALA A 2 -15.079 6.295 -4.378 1.00 0.65 C ATOM 22 C ALA A 2 -13.893 6.694 -3.510 1.00 0.62 C ATOM 23 O ALA A 2 -14.053 7.277 -2.439 1.00 0.72 O ATOM 24 CB ALA A 2 -15.151 7.184 -5.607 1.00 0.73 C ATOM 0 H ALA A 2 -16.627 7.284 -3.376 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.930 5.263 -4.697 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -14.206 7.133 -6.149 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.959 6.845 -6.255 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -15.339 8.213 -5.301 1.00 0.73 H new ATOM 30 N ALA A 3 -12.701 6.345 -3.972 1.00 0.73 N ATOM 31 CA ALA A 3 -11.479 6.673 -3.258 1.00 0.76 C ATOM 32 C ALA A 3 -11.066 8.117 -3.508 1.00 0.66 C ATOM 33 O ALA A 3 -10.268 8.397 -4.401 1.00 0.81 O ATOM 34 CB ALA A 3 -10.364 5.730 -3.674 1.00 1.06 C ATOM 0 H ALA A 3 -12.556 5.833 -4.842 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.668 6.556 -2.191 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.452 5.984 -3.133 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.650 4.704 -3.442 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -10.189 5.824 -4.746 1.00 1.06 H new ATOM 40 N GLU A 4 -11.615 9.033 -2.717 1.00 0.63 N ATOM 41 CA GLU A 4 -11.283 10.443 -2.857 1.00 0.75 C ATOM 42 C GLU A 4 -9.841 10.679 -2.411 1.00 0.74 C ATOM 43 O GLU A 4 -8.915 10.366 -3.159 1.00 0.85 O ATOM 44 CB GLU A 4 -12.278 11.309 -2.082 1.00 0.97 C ATOM 45 CG GLU A 4 -13.534 11.687 -2.867 1.00 1.44 C ATOM 46 CD GLU A 4 -13.969 10.630 -3.868 1.00 2.42 C ATOM 47 OE1 GLU A 4 -13.959 9.436 -3.515 1.00 3.03 O ATOM 48 OE2 GLU A 4 -14.300 10.998 -5.012 1.00 3.20 O ATOM 0 H GLU A 4 -12.287 8.825 -1.978 1.00 0.63 H new ATOM 0 HA GLU A 4 -11.360 10.734 -3.905 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -12.576 10.778 -1.178 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.775 12.222 -1.764 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -14.349 11.869 -2.166 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.354 12.623 -3.396 1.00 1.44 H new ATOM 55 N THR A 5 -9.624 11.223 -1.215 1.00 0.69 N ATOM 56 CA THR A 5 -8.262 11.441 -0.757 1.00 0.74 C ATOM 57 C THR A 5 -7.644 10.175 -0.112 1.00 0.61 C ATOM 58 O THR A 5 -7.770 9.082 -0.663 1.00 0.78 O ATOM 59 CB THR A 5 -8.179 12.636 0.195 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.002 13.705 -0.286 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.729 13.084 0.300 1.00 1.09 C ATOM 0 H THR A 5 -10.354 11.513 -0.564 1.00 0.69 H new ATOM 0 HA THR A 5 -7.669 11.669 -1.643 1.00 0.74 H new ATOM 0 HB THR A 5 -8.539 12.347 1.182 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.875 13.670 0.157 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.659 13.936 0.977 1.00 1.09 H new ATOM 0 HG22 THR A 5 -6.122 12.264 0.685 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.365 13.373 -0.686 1.00 1.09 H new ATOM 69 N LEU A 6 -6.998 10.314 1.061 1.00 0.54 N ATOM 70 CA LEU A 6 -6.329 9.208 1.726 1.00 0.50 C ATOM 71 C LEU A 6 -7.314 8.287 2.423 1.00 0.49 C ATOM 72 O LEU A 6 -7.830 8.620 3.489 1.00 0.56 O ATOM 73 CB LEU A 6 -5.370 9.769 2.781 1.00 0.61 C ATOM 74 CG LEU A 6 -3.967 10.159 2.310 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.902 11.649 2.034 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.930 9.782 3.356 1.00 1.07 C ATOM 0 H LEU A 6 -6.932 11.199 1.564 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.797 8.635 0.966 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.834 10.649 3.226 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.267 9.027 3.573 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.750 9.617 1.390 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -2.899 11.914 1.700 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -4.623 11.907 1.258 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.137 12.198 2.945 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.938 10.067 3.004 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.148 10.303 4.288 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.960 8.706 3.526 1.00 1.07 H new ATOM 88 N THR A 7 -7.575 7.130 1.835 1.00 0.50 N ATOM 89 CA THR A 7 -8.473 6.183 2.463 1.00 0.54 C ATOM 90 C THR A 7 -7.883 5.747 3.780 1.00 0.48 C ATOM 91 O THR A 7 -6.698 5.933 4.019 1.00 0.54 O ATOM 92 CB THR A 7 -8.731 4.935 1.598 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.815 4.904 0.498 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.163 4.904 1.082 1.00 0.83 C ATOM 0 H THR A 7 -7.185 6.831 0.941 1.00 0.50 H new ATOM 0 HA THR A 7 -9.429 6.688 2.601 1.00 0.54 H new ATOM 0 HB THR A 7 -8.578 4.055 2.223 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.401 4.018 0.442 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.312 4.011 0.475 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.853 4.889 1.925 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.350 5.790 0.475 1.00 0.83 H new ATOM 102 N GLU A 8 -8.708 5.143 4.621 1.00 0.45 N ATOM 103 CA GLU A 8 -8.263 4.666 5.936 1.00 0.44 C ATOM 104 C GLU A 8 -6.868 4.041 5.863 1.00 0.41 C ATOM 105 O GLU A 8 -6.112 4.062 6.835 1.00 0.42 O ATOM 106 CB GLU A 8 -9.237 3.643 6.510 1.00 0.50 C ATOM 107 CG GLU A 8 -10.697 4.043 6.407 1.00 0.52 C ATOM 108 CD GLU A 8 -10.972 5.410 7.002 1.00 1.09 C ATOM 109 OE1 GLU A 8 -10.798 6.416 6.283 1.00 1.67 O ATOM 110 OE2 GLU A 8 -11.359 5.474 8.188 1.00 1.94 O ATOM 0 H GLU A 8 -9.693 4.968 4.422 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.228 5.537 6.591 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.095 2.694 5.993 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -8.992 3.474 7.559 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.997 4.040 5.359 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.310 3.299 6.916 1.00 0.52 H new ATOM 117 N LEU A 9 -6.542 3.486 4.701 1.00 0.41 N ATOM 118 CA LEU A 9 -5.253 2.858 4.474 1.00 0.40 C ATOM 119 C LEU A 9 -4.112 3.804 4.824 1.00 0.38 C ATOM 120 O LEU A 9 -3.008 3.370 5.151 1.00 0.39 O ATOM 121 CB LEU A 9 -5.167 2.453 3.007 1.00 0.45 C ATOM 122 CG LEU A 9 -6.424 1.787 2.428 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.072 0.904 1.249 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.181 0.997 3.486 1.00 0.92 C ATOM 0 H LEU A 9 -7.165 3.461 3.894 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.161 1.981 5.115 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.943 3.341 2.416 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.327 1.769 2.886 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.082 2.582 2.079 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.978 0.443 0.856 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.604 1.506 0.470 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.380 0.126 1.571 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.064 0.541 3.037 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.535 0.217 3.889 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.487 1.666 4.290 1.00 0.92 H new ATOM 136 N GLU A 10 -4.388 5.099 4.764 1.00 0.38 N ATOM 137 CA GLU A 10 -3.390 6.103 5.092 1.00 0.39 C ATOM 138 C GLU A 10 -2.843 5.843 6.486 1.00 0.38 C ATOM 139 O GLU A 10 -1.648 5.985 6.731 1.00 0.40 O ATOM 140 CB GLU A 10 -3.996 7.491 5.004 1.00 0.46 C ATOM 141 CG GLU A 10 -5.382 7.573 5.598 1.00 0.45 C ATOM 142 CD GLU A 10 -5.477 8.570 6.737 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.839 9.640 6.643 1.00 1.27 O ATOM 144 OE2 GLU A 10 -6.190 8.282 7.720 1.00 1.16 O ATOM 0 H GLU A 10 -5.295 5.478 4.491 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.570 6.043 4.377 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.345 8.198 5.518 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -4.037 7.797 3.959 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -6.090 7.851 4.818 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.676 6.587 5.959 1.00 0.45 H new ATOM 151 N ALA A 11 -3.728 5.453 7.400 1.00 0.39 N ATOM 152 CA ALA A 11 -3.316 5.136 8.759 1.00 0.39 C ATOM 153 C ALA A 11 -2.232 4.076 8.718 1.00 0.36 C ATOM 154 O ALA A 11 -1.346 4.033 9.571 1.00 0.39 O ATOM 155 CB ALA A 11 -4.501 4.656 9.584 1.00 0.42 C ATOM 0 H ALA A 11 -4.727 5.350 7.223 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.924 6.036 9.232 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.170 4.425 10.596 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.260 5.438 9.620 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.924 3.761 9.127 1.00 0.42 H new ATOM 161 N ALA A 12 -2.317 3.217 7.706 1.00 0.33 N ATOM 162 CA ALA A 12 -1.335 2.168 7.515 1.00 0.33 C ATOM 163 C ALA A 12 -0.024 2.775 7.040 1.00 0.33 C ATOM 164 O ALA A 12 1.051 2.225 7.278 1.00 0.34 O ATOM 165 CB ALA A 12 -1.843 1.134 6.520 1.00 0.34 C ATOM 0 H ALA A 12 -3.060 3.232 7.007 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.165 1.663 8.466 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.092 0.355 6.390 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.765 0.690 6.895 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.036 1.616 5.561 1.00 0.34 H new ATOM 171 N ILE A 13 -0.123 3.923 6.365 1.00 0.36 N ATOM 172 CA ILE A 13 1.058 4.621 5.876 1.00 0.40 C ATOM 173 C ILE A 13 2.068 4.787 7.019 1.00 0.39 C ATOM 174 O ILE A 13 3.276 4.844 6.801 1.00 0.42 O ATOM 175 CB ILE A 13 0.691 6.000 5.247 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.635 6.319 4.083 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.710 7.137 6.271 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.042 6.670 4.518 1.00 2.05 C ATOM 0 H ILE A 13 -1.007 4.383 6.148 1.00 0.36 H new ATOM 0 HA ILE A 13 1.511 4.022 5.086 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.331 5.921 4.877 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.675 5.460 3.414 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.223 7.150 3.510 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.447 8.074 5.779 1.00 0.99 H new ATOM 0 HG22 ILE A 13 -0.011 6.927 7.061 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.707 7.221 6.703 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.652 6.883 3.640 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.015 7.548 5.163 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.474 5.832 5.065 1.00 2.05 H new ATOM 190 N GLU A 14 1.535 4.855 8.241 1.00 0.39 N ATOM 191 CA GLU A 14 2.348 5.010 9.440 1.00 0.42 C ATOM 192 C GLU A 14 3.165 3.754 9.718 1.00 0.38 C ATOM 193 O GLU A 14 4.309 3.841 10.166 1.00 0.46 O ATOM 194 CB GLU A 14 1.457 5.327 10.642 1.00 0.46 C ATOM 195 CG GLU A 14 0.724 6.653 10.523 1.00 0.79 C ATOM 196 CD GLU A 14 1.669 7.834 10.435 1.00 1.46 C ATOM 197 OE1 GLU A 14 2.042 8.376 11.497 1.00 2.02 O ATOM 198 OE2 GLU A 14 2.037 8.217 9.305 1.00 2.25 O ATOM 0 H GLU A 14 0.533 4.804 8.422 1.00 0.39 H new ATOM 0 HA GLU A 14 3.039 5.837 9.274 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.726 4.527 10.763 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.069 5.339 11.544 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.088 6.634 9.638 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.068 6.780 11.384 1.00 0.79 H new ATOM 205 N THR A 15 2.585 2.587 9.459 1.00 0.30 N ATOM 206 CA THR A 15 3.299 1.337 9.686 1.00 0.28 C ATOM 207 C THR A 15 4.384 1.153 8.634 1.00 0.29 C ATOM 208 O THR A 15 5.552 0.933 8.949 1.00 0.35 O ATOM 209 CB THR A 15 2.356 0.123 9.636 1.00 0.28 C ATOM 210 OG1 THR A 15 1.321 0.253 10.617 1.00 0.29 O ATOM 211 CG2 THR A 15 3.123 -1.169 9.876 1.00 0.32 C ATOM 0 H THR A 15 1.637 2.481 9.097 1.00 0.30 H new ATOM 0 HA THR A 15 3.741 1.396 10.681 1.00 0.28 H new ATOM 0 HB THR A 15 1.908 0.088 8.643 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.130 -0.625 11.009 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.435 -2.013 9.836 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.887 -1.287 9.108 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.597 -1.134 10.857 1.00 0.32 H new ATOM 219 N VAL A 16 3.973 1.257 7.379 1.00 0.27 N ATOM 220 CA VAL A 16 4.869 1.109 6.243 1.00 0.28 C ATOM 221 C VAL A 16 5.962 2.172 6.242 1.00 0.30 C ATOM 222 O VAL A 16 7.093 1.908 5.834 1.00 0.36 O ATOM 223 CB VAL A 16 4.073 1.204 4.934 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.369 2.541 4.846 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.978 1.000 3.729 1.00 0.33 C ATOM 0 H VAL A 16 3.005 1.447 7.119 1.00 0.27 H new ATOM 0 HA VAL A 16 5.344 0.131 6.325 1.00 0.28 H new ATOM 0 HB VAL A 16 3.325 0.411 4.931 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.808 2.596 3.913 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.685 2.648 5.688 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.107 3.343 4.874 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.389 1.072 2.815 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.753 1.766 3.722 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.442 0.015 3.785 1.00 0.33 H new ATOM 235 N VAL A 17 5.624 3.372 6.696 1.00 0.31 N ATOM 236 CA VAL A 17 6.588 4.463 6.725 1.00 0.33 C ATOM 237 C VAL A 17 7.588 4.297 7.871 1.00 0.30 C ATOM 238 O VAL A 17 8.758 4.659 7.747 1.00 0.32 O ATOM 239 CB VAL A 17 5.895 5.835 6.853 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.271 6.012 8.228 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.880 6.958 6.561 1.00 0.50 C ATOM 0 H VAL A 17 4.697 3.613 7.047 1.00 0.31 H new ATOM 0 HA VAL A 17 7.123 4.426 5.776 1.00 0.33 H new ATOM 0 HB VAL A 17 5.093 5.876 6.117 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.791 6.989 8.287 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.528 5.232 8.394 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.046 5.943 8.991 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.375 7.919 6.656 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.706 6.911 7.270 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.266 6.849 5.547 1.00 0.50 H new ATOM 251 N SER A 18 7.114 3.743 8.986 1.00 0.33 N ATOM 252 CA SER A 18 7.947 3.550 10.173 1.00 0.40 C ATOM 253 C SER A 18 8.826 2.295 10.112 1.00 0.44 C ATOM 254 O SER A 18 9.807 2.185 10.842 1.00 0.59 O ATOM 255 CB SER A 18 7.063 3.489 11.420 1.00 0.51 C ATOM 256 OG SER A 18 7.839 3.276 12.586 1.00 1.32 O ATOM 0 H SER A 18 6.153 3.418 9.093 1.00 0.33 H new ATOM 0 HA SER A 18 8.622 4.405 10.215 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.502 4.419 11.518 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.333 2.686 11.313 1.00 0.51 H new ATOM 0 HG SER A 18 7.251 3.243 13.369 1.00 1.32 H new ATOM 262 N THR A 19 8.467 1.333 9.284 1.00 0.37 N ATOM 263 CA THR A 19 9.251 0.102 9.196 1.00 0.44 C ATOM 264 C THR A 19 10.452 0.184 8.246 1.00 0.46 C ATOM 265 O THR A 19 11.580 0.453 8.657 1.00 0.54 O ATOM 266 CB THR A 19 8.368 -1.096 8.794 1.00 0.45 C ATOM 267 OG1 THR A 19 7.770 -0.864 7.512 1.00 0.42 O ATOM 268 CG2 THR A 19 7.281 -1.341 9.832 1.00 0.49 C ATOM 0 H THR A 19 7.653 1.371 8.670 1.00 0.37 H new ATOM 0 HA THR A 19 9.650 -0.043 10.200 1.00 0.44 H new ATOM 0 HB THR A 19 9.003 -1.981 8.739 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.042 -0.214 7.603 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.671 -2.191 9.526 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.741 -1.553 10.797 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.652 -0.455 9.916 1.00 0.49 H new ATOM 276 N PHE A 20 10.170 -0.053 6.977 1.00 0.45 N ATOM 277 CA PHE A 20 11.169 -0.105 5.912 1.00 0.54 C ATOM 278 C PHE A 20 11.528 1.277 5.417 1.00 0.52 C ATOM 279 O PHE A 20 12.670 1.554 5.052 1.00 0.64 O ATOM 280 CB PHE A 20 10.582 -0.964 4.787 1.00 0.60 C ATOM 281 CG PHE A 20 11.198 -0.786 3.433 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.549 -0.991 3.227 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.405 -0.424 2.361 1.00 1.60 C ATOM 284 CE1 PHE A 20 13.098 -0.832 1.970 1.00 1.37 C ATOM 285 CE2 PHE A 20 10.945 -0.264 1.106 1.00 1.77 C ATOM 286 CZ PHE A 20 12.291 -0.466 0.910 1.00 1.18 C ATOM 0 H PHE A 20 9.220 -0.219 6.646 1.00 0.45 H new ATOM 0 HA PHE A 20 12.096 -0.541 6.284 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.675 -2.012 5.071 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.516 -0.748 4.710 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.180 -1.278 4.055 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.347 -0.265 2.510 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.155 -0.993 1.816 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.314 0.019 0.277 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.718 -0.338 -0.074 1.00 1.18 H new ATOM 296 N PHE A 21 10.536 2.127 5.405 1.00 0.44 N ATOM 297 CA PHE A 21 10.691 3.485 4.952 1.00 0.47 C ATOM 298 C PHE A 21 11.540 4.287 5.904 1.00 0.49 C ATOM 299 O PHE A 21 12.041 5.355 5.550 1.00 0.62 O ATOM 300 CB PHE A 21 9.301 4.075 4.771 1.00 0.48 C ATOM 301 CG PHE A 21 8.522 3.425 3.634 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.113 2.448 2.834 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.202 3.775 3.366 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.409 1.844 1.814 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.501 3.167 2.344 1.00 1.13 C ATOM 306 CZ PHE A 21 7.101 2.200 1.571 1.00 0.54 C ATOM 0 H PHE A 21 9.591 1.896 5.711 1.00 0.44 H new ATOM 0 HA PHE A 21 11.219 3.511 3.999 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.741 3.962 5.699 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.388 5.144 4.579 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.138 2.160 3.016 1.00 1.39 H new ATOM 0 HD2 PHE A 21 6.720 4.533 3.966 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.884 1.090 1.204 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.477 3.452 2.150 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.548 1.722 0.776 1.00 0.54 H new ATOM 316 N THR A 22 11.709 3.784 7.113 1.00 0.47 N ATOM 317 CA THR A 22 12.565 4.478 8.056 1.00 0.54 C ATOM 318 C THR A 22 14.015 4.286 7.652 1.00 0.49 C ATOM 319 O THR A 22 14.889 5.050 8.060 1.00 0.54 O ATOM 320 CB THR A 22 12.370 4.008 9.485 1.00 0.66 C ATOM 321 OG1 THR A 22 12.555 2.607 9.535 1.00 0.66 O ATOM 322 CG2 THR A 22 10.995 4.408 9.974 1.00 0.81 C ATOM 0 H THR A 22 11.280 2.925 7.458 1.00 0.47 H new ATOM 0 HA THR A 22 12.292 5.533 8.026 1.00 0.54 H new ATOM 0 HB THR A 22 13.102 4.477 10.143 1.00 0.66 H new ATOM 0 HG1 THR A 22 11.771 2.160 9.154 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.861 4.068 11.001 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.896 5.493 9.935 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.236 3.952 9.338 1.00 0.81 H new ATOM 330 N PHE A 23 14.272 3.252 6.844 1.00 0.49 N ATOM 331 CA PHE A 23 15.623 3.017 6.365 1.00 0.51 C ATOM 332 C PHE A 23 16.031 4.225 5.522 1.00 0.44 C ATOM 333 O PHE A 23 17.210 4.548 5.407 1.00 0.45 O ATOM 334 CB PHE A 23 15.710 1.655 5.621 1.00 0.68 C ATOM 335 CG PHE A 23 16.093 1.688 4.167 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.255 2.319 3.738 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.298 1.059 3.231 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.609 2.321 2.413 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.646 1.065 1.900 1.00 1.88 C ATOM 340 CZ PHE A 23 16.806 1.697 1.493 1.00 1.82 C ATOM 0 H PHE A 23 13.575 2.583 6.518 1.00 0.49 H new ATOM 0 HA PHE A 23 16.335 2.928 7.186 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.432 1.029 6.146 1.00 0.68 H new ATOM 0 HB3 PHE A 23 14.741 1.163 5.704 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.888 2.815 4.459 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.395 0.558 3.546 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.517 2.812 2.095 1.00 1.93 H new ATOM 0 HE2 PHE A 23 15.013 0.576 1.174 1.00 1.88 H new ATOM 0 HZ PHE A 23 17.080 1.699 0.448 1.00 1.82 H new ATOM 350 N ALA A 24 15.029 4.932 4.978 1.00 0.50 N ATOM 351 CA ALA A 24 15.260 6.145 4.197 1.00 0.58 C ATOM 352 C ALA A 24 16.288 7.007 4.898 1.00 0.60 C ATOM 353 O ALA A 24 17.202 7.563 4.286 1.00 0.65 O ATOM 354 CB ALA A 24 13.953 6.912 4.069 1.00 0.71 C ATOM 0 H ALA A 24 14.045 4.677 5.069 1.00 0.50 H new ATOM 0 HA ALA A 24 15.627 5.881 3.205 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.119 7.819 3.487 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.213 6.289 3.567 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.589 7.179 5.061 1.00 0.71 H new ATOM 360 N GLY A 25 16.111 7.094 6.207 1.00 0.68 N ATOM 361 CA GLY A 25 17.012 7.850 7.053 1.00 0.81 C ATOM 362 C GLY A 25 18.474 7.608 6.705 1.00 0.71 C ATOM 363 O GLY A 25 19.325 8.474 6.906 1.00 0.80 O ATOM 0 H GLY A 25 15.344 6.645 6.707 1.00 0.68 H new ATOM 0 HA2 GLY A 25 16.790 8.913 6.958 1.00 0.81 H new ATOM 0 HA3 GLY A 25 16.840 7.580 8.095 1.00 0.81 H new ATOM 367 N ARG A 26 18.751 6.421 6.175 1.00 0.60 N ATOM 368 CA ARG A 26 20.103 6.032 5.786 1.00 0.59 C ATOM 369 C ARG A 26 20.777 7.090 4.921 1.00 0.57 C ATOM 370 O ARG A 26 21.996 7.260 4.975 1.00 0.71 O ATOM 371 CB ARG A 26 20.063 4.706 5.032 1.00 0.61 C ATOM 372 CG ARG A 26 20.096 3.497 5.949 1.00 1.17 C ATOM 373 CD ARG A 26 21.503 2.938 6.073 1.00 0.97 C ATOM 374 NE ARG A 26 22.475 3.966 6.438 1.00 1.55 N ATOM 375 CZ ARG A 26 23.634 3.709 7.037 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.976 2.461 7.328 1.00 2.01 N ATOM 377 NH2 ARG A 26 24.457 4.704 7.342 1.00 2.82 N ATOM 0 H ARG A 26 18.047 5.703 6.003 1.00 0.60 H new ATOM 0 HA ARG A 26 20.689 5.927 6.699 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.159 4.668 4.424 1.00 0.61 H new ATOM 0 HB3 ARG A 26 20.910 4.659 4.348 1.00 0.61 H new ATOM 0 HG2 ARG A 26 19.725 3.775 6.935 1.00 1.17 H new ATOM 0 HG3 ARG A 26 19.429 2.726 5.563 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.513 2.148 6.824 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.796 2.483 5.127 1.00 0.97 H new ATOM 0 HE ARG A 26 22.252 4.937 6.221 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.349 1.692 7.092 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.866 2.270 7.788 1.00 2.01 H new ATOM 0 HH21 ARG A 26 24.200 5.665 7.117 1.00 2.82 H new ATOM 0 HH22 ARG A 26 25.346 4.508 7.802 1.00 2.82 H new ATOM 391 N GLU A 27 19.988 7.800 4.127 1.00 0.50 N ATOM 392 CA GLU A 27 20.530 8.831 3.253 1.00 0.58 C ATOM 393 C GLU A 27 20.626 10.161 3.993 1.00 0.80 C ATOM 394 O GLU A 27 19.736 10.520 4.763 1.00 1.27 O ATOM 395 CB GLU A 27 19.662 8.982 2.002 1.00 0.98 C ATOM 396 CG GLU A 27 19.535 7.700 1.193 1.00 0.85 C ATOM 397 CD GLU A 27 20.874 7.176 0.711 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.332 7.617 -0.364 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.464 6.323 1.408 1.00 1.78 O ATOM 0 H GLU A 27 18.976 7.682 4.070 1.00 0.50 H new ATOM 0 HA GLU A 27 21.532 8.531 2.947 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.667 9.316 2.298 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.084 9.762 1.368 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.049 6.938 1.802 1.00 0.85 H new ATOM 0 HG3 GLU A 27 18.889 7.880 0.333 1.00 0.85 H new ATOM 406 N GLY A 28 21.718 10.882 3.754 1.00 1.33 N ATOM 407 CA GLY A 28 21.939 12.158 4.412 1.00 1.88 C ATOM 408 C GLY A 28 20.709 13.039 4.460 1.00 1.36 C ATOM 409 O GLY A 28 19.847 12.869 5.322 1.00 1.58 O ATOM 0 H GLY A 28 22.459 10.602 3.111 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.285 11.977 5.430 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.737 12.691 3.894 1.00 1.88 H new ATOM 413 N ARG A 29 20.629 13.987 3.532 1.00 1.16 N ATOM 414 CA ARG A 29 19.503 14.914 3.476 1.00 1.06 C ATOM 415 C ARG A 29 18.176 14.189 3.683 1.00 1.13 C ATOM 416 O ARG A 29 18.111 12.961 3.613 1.00 1.73 O ATOM 417 CB ARG A 29 19.491 15.654 2.132 1.00 1.38 C ATOM 418 CG ARG A 29 18.311 16.601 1.963 1.00 1.78 C ATOM 419 CD ARG A 29 18.399 17.387 0.666 1.00 2.37 C ATOM 420 NE ARG A 29 19.574 18.252 0.627 1.00 2.89 N ATOM 421 CZ ARG A 29 20.088 18.746 -0.493 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.534 18.453 -1.663 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.156 19.530 -0.446 1.00 4.31 N ATOM 0 H ARG A 29 21.331 14.134 2.807 1.00 1.16 H new ATOM 0 HA ARG A 29 19.625 15.636 4.283 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.417 16.220 2.031 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.476 14.922 1.325 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.382 16.031 1.980 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.276 17.292 2.805 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.431 16.695 -0.175 1.00 2.37 H new ATOM 0 HD3 ARG A 29 17.500 17.992 0.547 1.00 2.37 H new ATOM 0 HE ARG A 29 20.026 18.490 1.510 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.713 17.848 -1.702 1.00 3.91 H new ATOM 0 HH12 ARG A 29 19.929 18.832 -2.524 1.00 3.91 H new ATOM 0 HH21 ARG A 29 21.585 19.755 0.452 1.00 4.31 H new ATOM 0 HH22 ARG A 29 21.549 19.908 -1.308 1.00 4.31 H new ATOM 437 N LYS A 30 17.121 14.953 3.936 1.00 1.04 N ATOM 438 CA LYS A 30 15.804 14.378 4.141 1.00 1.47 C ATOM 439 C LYS A 30 15.001 14.438 2.848 1.00 1.32 C ATOM 440 O LYS A 30 13.915 15.013 2.801 1.00 1.64 O ATOM 441 CB LYS A 30 15.060 15.120 5.252 1.00 2.03 C ATOM 442 CG LYS A 30 15.852 15.241 6.544 1.00 2.65 C ATOM 443 CD LYS A 30 16.200 13.876 7.119 1.00 3.51 C ATOM 444 CE LYS A 30 16.954 14.004 8.431 1.00 4.01 C ATOM 445 NZ LYS A 30 18.239 14.738 8.265 1.00 4.77 N ATOM 0 H LYS A 30 17.155 15.970 4.003 1.00 1.04 H new ATOM 0 HA LYS A 30 15.924 13.336 4.439 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.802 16.119 4.900 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.123 14.603 5.458 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.768 15.802 6.359 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.274 15.807 7.274 1.00 2.65 H new ATOM 0 HD2 LYS A 30 15.287 13.302 7.277 1.00 3.51 H new ATOM 0 HD3 LYS A 30 16.805 13.321 6.402 1.00 3.51 H new ATOM 0 HE2 LYS A 30 16.331 14.524 9.158 1.00 4.01 H new ATOM 0 HE3 LYS A 30 17.153 13.011 8.834 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 18.814 14.630 9.125 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 18.757 14.351 7.451 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 18.044 15.747 8.104 1.00 4.77 H new ATOM 459 N GLY A 31 15.566 13.857 1.795 1.00 0.95 N ATOM 460 CA GLY A 31 14.895 13.807 0.509 1.00 0.88 C ATOM 461 C GLY A 31 14.323 12.450 0.262 1.00 0.80 C ATOM 462 O GLY A 31 13.116 12.299 0.218 1.00 0.85 O ATOM 0 H GLY A 31 16.486 13.416 1.810 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.100 14.553 0.479 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.599 14.060 -0.284 1.00 0.88 H new ATOM 466 N SER A 32 15.165 11.448 0.071 1.00 0.74 N ATOM 467 CA SER A 32 14.632 10.126 -0.152 1.00 0.71 C ATOM 468 C SER A 32 15.456 9.000 0.440 1.00 0.70 C ATOM 469 O SER A 32 16.525 9.194 1.020 1.00 0.74 O ATOM 470 CB SER A 32 14.369 9.903 -1.640 1.00 0.68 C ATOM 471 OG SER A 32 14.837 8.641 -2.091 1.00 1.10 O ATOM 0 H SER A 32 16.182 11.523 0.066 1.00 0.74 H new ATOM 0 HA SER A 32 13.689 10.091 0.394 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.299 9.980 -1.832 1.00 0.68 H new ATOM 0 HB3 SER A 32 14.854 10.693 -2.214 1.00 0.68 H new ATOM 0 HG SER A 32 15.700 8.754 -2.542 1.00 1.10 H new ATOM 477 N LEU A 33 14.901 7.813 0.263 1.00 0.72 N ATOM 478 CA LEU A 33 15.495 6.571 0.691 1.00 0.74 C ATOM 479 C LEU A 33 16.210 5.991 -0.488 1.00 0.56 C ATOM 480 O LEU A 33 15.841 6.283 -1.627 1.00 0.52 O ATOM 481 CB LEU A 33 14.419 5.589 1.115 1.00 0.99 C ATOM 482 CG LEU A 33 14.850 4.138 1.272 1.00 1.19 C ATOM 483 CD1 LEU A 33 14.090 3.513 2.422 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.599 3.381 -0.034 1.00 1.69 C ATOM 0 H LEU A 33 13.999 7.690 -0.196 1.00 0.72 H new ATOM 0 HA LEU A 33 16.166 6.752 1.531 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.004 5.927 2.065 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.613 5.628 0.382 1.00 0.99 H new ATOM 0 HG LEU A 33 15.916 4.087 1.493 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.396 2.473 2.538 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.306 4.059 3.340 1.00 1.93 H new ATOM 0 HD13 LEU A 33 13.020 3.556 2.217 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.909 2.342 0.082 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.537 3.418 -0.278 1.00 1.69 H new ATOM 0 HD23 LEU A 33 15.172 3.843 -0.838 1.00 1.69 H new ATOM 496 N ASN A 34 17.223 5.179 -0.260 1.00 0.57 N ATOM 497 CA ASN A 34 17.929 4.633 -1.388 1.00 0.47 C ATOM 498 C ASN A 34 17.854 3.110 -1.388 1.00 0.41 C ATOM 499 O ASN A 34 16.759 2.553 -1.449 1.00 0.56 O ATOM 500 CB ASN A 34 19.356 5.169 -1.375 1.00 0.56 C ATOM 501 CG ASN A 34 20.075 4.956 -2.694 1.00 1.37 C ATOM 502 OD1 ASN A 34 19.453 4.926 -3.756 1.00 2.12 O ATOM 503 ND2 ASN A 34 21.393 4.807 -2.631 1.00 2.11 N ATOM 0 H ASN A 34 17.562 4.895 0.659 1.00 0.57 H new ATOM 0 HA ASN A 34 17.463 4.948 -2.321 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.337 6.234 -1.144 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.916 4.680 -0.578 1.00 0.56 H new ATOM 0 HD21 ASN A 34 21.931 4.661 -3.485 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.867 4.839 -1.729 1.00 2.11 H new ATOM 510 N ILE A 35 18.993 2.432 -1.370 1.00 0.54 N ATOM 511 CA ILE A 35 18.995 0.994 -1.347 1.00 0.54 C ATOM 512 C ILE A 35 20.114 0.453 -0.477 1.00 0.56 C ATOM 513 O ILE A 35 20.715 -0.573 -0.786 1.00 0.63 O ATOM 514 CB ILE A 35 19.054 0.376 -2.758 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.774 1.303 -3.744 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.642 0.075 -3.241 1.00 0.66 C ATOM 517 CD1 ILE A 35 21.140 1.748 -3.277 1.00 1.05 C ATOM 0 H ILE A 35 19.918 2.861 -1.371 1.00 0.54 H new ATOM 0 HA ILE A 35 18.043 0.696 -0.907 1.00 0.54 H new ATOM 0 HB ILE A 35 19.624 -0.552 -2.706 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.877 0.791 -4.701 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.155 2.183 -3.918 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.684 -0.362 -4.239 1.00 0.66 H new ATOM 0 HG22 ILE A 35 17.165 -0.627 -2.557 1.00 0.66 H new ATOM 0 HG23 ILE A 35 17.064 0.999 -3.274 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.586 2.401 -4.027 1.00 1.05 H new ATOM 0 HD12 ILE A 35 21.044 2.289 -2.336 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.777 0.875 -3.130 1.00 1.05 H new ATOM 529 N ASN A 36 20.393 1.159 0.611 1.00 0.59 N ATOM 530 CA ASN A 36 21.418 0.732 1.545 1.00 0.63 C ATOM 531 C ASN A 36 20.831 -0.329 2.445 1.00 0.59 C ATOM 532 O ASN A 36 21.257 -1.481 2.416 1.00 0.59 O ATOM 533 CB ASN A 36 21.945 1.907 2.369 1.00 0.70 C ATOM 534 CG ASN A 36 23.184 1.538 3.162 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.092 1.003 4.267 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.352 1.823 2.600 1.00 1.89 N ATOM 0 H ASN A 36 19.923 2.028 0.865 1.00 0.59 H new ATOM 0 HA ASN A 36 22.264 0.326 0.991 1.00 0.63 H new ATOM 0 HB2 ASN A 36 22.175 2.740 1.705 1.00 0.70 H new ATOM 0 HB3 ASN A 36 21.167 2.248 3.051 1.00 0.70 H new ATOM 0 HD21 ASN A 36 25.220 1.598 3.086 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.382 2.267 1.682 1.00 1.89 H new ATOM 543 N GLU A 37 19.855 0.050 3.258 1.00 0.57 N ATOM 544 CA GLU A 37 19.213 -0.941 4.098 1.00 0.56 C ATOM 545 C GLU A 37 18.231 -1.742 3.263 1.00 0.50 C ATOM 546 O GLU A 37 17.840 -2.838 3.656 1.00 0.52 O ATOM 547 CB GLU A 37 18.543 -0.335 5.326 1.00 0.66 C ATOM 548 CG GLU A 37 19.529 0.189 6.350 1.00 0.75 C ATOM 549 CD GLU A 37 18.849 0.756 7.581 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.587 -0.018 8.525 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.580 1.977 7.601 1.00 1.29 O ATOM 0 H GLU A 37 19.502 1.003 3.351 1.00 0.57 H new ATOM 0 HA GLU A 37 19.985 -1.605 4.487 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.890 0.479 5.011 1.00 0.66 H new ATOM 0 HB3 GLU A 37 17.909 -1.088 5.794 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.199 -0.617 6.649 1.00 0.75 H new ATOM 0 HG3 GLU A 37 20.146 0.962 5.892 1.00 0.75 H new ATOM 558 N PHE A 38 17.828 -1.213 2.091 1.00 0.46 N ATOM 559 CA PHE A 38 16.958 -1.970 1.212 1.00 0.42 C ATOM 560 C PHE A 38 17.608 -3.330 0.988 1.00 0.45 C ATOM 561 O PHE A 38 16.938 -4.335 0.791 1.00 0.45 O ATOM 562 CB PHE A 38 16.779 -1.243 -0.131 1.00 0.43 C ATOM 563 CG PHE A 38 15.653 -1.752 -0.981 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.614 -3.062 -1.422 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.626 -0.902 -1.337 1.00 1.30 C ATOM 566 CE1 PHE A 38 14.566 -3.514 -2.201 1.00 1.21 C ATOM 567 CE2 PHE A 38 13.574 -1.345 -2.116 1.00 1.32 C ATOM 568 CZ PHE A 38 13.544 -2.654 -2.548 1.00 0.45 C ATOM 0 H PHE A 38 18.090 -0.288 1.750 1.00 0.46 H new ATOM 0 HA PHE A 38 15.971 -2.081 1.661 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.616 -0.183 0.065 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.707 -1.323 -0.697 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.412 -3.739 -1.155 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.645 0.125 -1.002 1.00 1.30 H new ATOM 0 HE1 PHE A 38 14.547 -4.540 -2.538 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.777 -0.668 -2.386 1.00 1.32 H new ATOM 0 HZ PHE A 38 12.723 -3.005 -3.156 1.00 0.45 H new ATOM 578 N LYS A 39 18.942 -3.343 1.087 1.00 0.49 N ATOM 579 CA LYS A 39 19.710 -4.556 0.910 1.00 0.53 C ATOM 580 C LYS A 39 19.320 -5.619 1.909 1.00 0.53 C ATOM 581 O LYS A 39 19.652 -6.790 1.756 1.00 0.56 O ATOM 582 CB LYS A 39 21.200 -4.258 0.978 1.00 0.61 C ATOM 583 CG LYS A 39 21.587 -3.109 0.082 1.00 0.67 C ATOM 584 CD LYS A 39 22.441 -3.563 -1.091 1.00 0.71 C ATOM 585 CE LYS A 39 23.759 -4.161 -0.626 1.00 1.47 C ATOM 586 NZ LYS A 39 24.630 -4.542 -1.773 1.00 1.80 N ATOM 0 H LYS A 39 19.504 -2.516 1.290 1.00 0.49 H new ATOM 0 HA LYS A 39 19.482 -4.951 -0.080 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.477 -4.025 2.006 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.761 -5.147 0.690 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.686 -2.622 -0.292 1.00 0.67 H new ATOM 0 HG3 LYS A 39 22.134 -2.365 0.662 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.893 -4.301 -1.677 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.637 -2.716 -1.748 1.00 0.71 H new ATOM 0 HE2 LYS A 39 24.282 -3.442 0.004 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.563 -5.040 -0.011 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.519 -4.946 -1.415 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.141 -5.247 -2.361 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.839 -3.699 -2.345 1.00 1.80 H new ATOM 600 N GLU A 40 18.655 -5.192 2.949 1.00 0.52 N ATOM 601 CA GLU A 40 18.159 -6.112 3.954 1.00 0.56 C ATOM 602 C GLU A 40 16.837 -6.719 3.474 1.00 0.54 C ATOM 603 O GLU A 40 16.350 -7.698 4.037 1.00 0.60 O ATOM 604 CB GLU A 40 17.979 -5.408 5.309 1.00 0.60 C ATOM 605 CG GLU A 40 16.702 -4.590 5.423 1.00 1.09 C ATOM 606 CD GLU A 40 15.881 -4.958 6.644 1.00 1.91 C ATOM 607 OE1 GLU A 40 16.099 -4.348 7.712 1.00 2.43 O ATOM 608 OE2 GLU A 40 15.020 -5.856 6.531 1.00 2.62 O ATOM 0 H GLU A 40 18.440 -4.211 3.128 1.00 0.52 H new ATOM 0 HA GLU A 40 18.889 -6.909 4.097 1.00 0.56 H new ATOM 0 HB2 GLU A 40 17.988 -6.158 6.099 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.833 -4.753 5.482 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.956 -3.531 5.466 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.099 -4.737 4.527 1.00 1.09 H new ATOM 615 N LEU A 41 16.253 -6.113 2.427 1.00 0.49 N ATOM 616 CA LEU A 41 14.993 -6.584 1.883 1.00 0.50 C ATOM 617 C LEU A 41 15.134 -7.977 1.302 1.00 0.55 C ATOM 618 O LEU A 41 15.049 -8.938 2.040 1.00 0.62 O ATOM 619 CB LEU A 41 14.432 -5.614 0.832 1.00 0.46 C ATOM 620 CG LEU A 41 14.127 -4.190 1.315 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.017 -3.573 0.484 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.764 -4.162 2.797 1.00 0.66 C ATOM 0 H LEU A 41 16.641 -5.299 1.950 1.00 0.49 H new ATOM 0 HA LEU A 41 14.282 -6.628 2.708 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.145 -5.551 0.010 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.515 -6.042 0.427 1.00 0.46 H new ATOM 0 HG LEU A 41 15.033 -3.598 1.187 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.814 -2.563 0.841 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.324 -3.534 -0.561 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.115 -4.178 0.575 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.555 -3.136 3.101 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.881 -4.778 2.967 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.596 -4.552 3.383 1.00 0.66 H new ATOM 634 N ALA A 42 15.381 -8.091 -0.012 1.00 0.55 N ATOM 635 CA ALA A 42 15.503 -9.389 -0.669 1.00 0.61 C ATOM 636 C ALA A 42 16.182 -10.418 0.221 1.00 0.67 C ATOM 637 O ALA A 42 15.775 -11.569 0.274 1.00 0.74 O ATOM 638 CB ALA A 42 16.280 -9.243 -1.938 1.00 0.65 C ATOM 0 H ALA A 42 15.499 -7.294 -0.637 1.00 0.55 H new ATOM 0 HA ALA A 42 14.494 -9.743 -0.882 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.368 -10.214 -2.424 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.764 -8.550 -2.603 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.275 -8.858 -1.713 1.00 0.65 H new ATOM 644 N THR A 43 17.184 -9.966 0.957 1.00 0.66 N ATOM 645 CA THR A 43 17.932 -10.815 1.851 1.00 0.73 C ATOM 646 C THR A 43 17.007 -11.490 2.867 1.00 0.78 C ATOM 647 O THR A 43 16.861 -12.710 2.871 1.00 0.86 O ATOM 648 CB THR A 43 18.993 -9.975 2.577 1.00 0.72 C ATOM 649 OG1 THR A 43 18.502 -8.642 2.789 1.00 0.66 O ATOM 650 CG2 THR A 43 20.288 -9.920 1.780 1.00 0.75 C ATOM 0 H THR A 43 17.498 -8.995 0.947 1.00 0.66 H new ATOM 0 HA THR A 43 18.419 -11.598 1.269 1.00 0.73 H new ATOM 0 HB THR A 43 19.199 -10.447 3.538 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.883 -8.042 2.114 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.021 -9.319 2.318 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.676 -10.930 1.645 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.096 -9.472 0.805 1.00 0.75 H new ATOM 658 N GLN A 44 16.405 -10.688 3.738 1.00 0.77 N ATOM 659 CA GLN A 44 15.472 -11.185 4.733 1.00 0.85 C ATOM 660 C GLN A 44 14.156 -11.560 4.065 1.00 0.85 C ATOM 661 O GLN A 44 13.462 -12.488 4.481 1.00 0.94 O ATOM 662 CB GLN A 44 15.247 -10.113 5.806 1.00 0.88 C ATOM 663 CG GLN A 44 16.479 -9.836 6.650 1.00 1.54 C ATOM 664 CD GLN A 44 16.988 -11.072 7.366 1.00 2.05 C ATOM 665 OE1 GLN A 44 16.216 -11.964 7.716 1.00 2.54 O ATOM 666 NE2 GLN A 44 18.297 -11.130 7.583 1.00 2.75 N ATOM 0 H GLN A 44 16.552 -9.679 3.772 1.00 0.77 H new ATOM 0 HA GLN A 44 15.884 -12.075 5.208 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.930 -9.188 5.324 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.432 -10.428 6.458 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.269 -9.439 6.013 1.00 1.54 H new ATOM 0 HG3 GLN A 44 16.245 -9.066 7.385 1.00 1.54 H new ATOM 0 HE21 GLN A 44 18.899 -10.367 7.275 1.00 2.75 H new ATOM 0 HE22 GLN A 44 18.700 -11.938 8.058 1.00 2.75 H new ATOM 675 N GLN A 45 13.838 -10.819 3.020 1.00 0.78 N ATOM 676 CA GLN A 45 12.643 -11.030 2.230 1.00 0.83 C ATOM 677 C GLN A 45 12.674 -12.407 1.631 1.00 0.79 C ATOM 678 O GLN A 45 11.633 -13.042 1.460 1.00 0.80 O ATOM 679 CB GLN A 45 12.585 -9.999 1.117 1.00 0.93 C ATOM 680 CG GLN A 45 12.308 -8.600 1.600 1.00 0.97 C ATOM 681 CD GLN A 45 10.846 -8.300 1.572 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.104 -8.670 2.476 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.433 -7.626 0.515 1.00 1.43 N ATOM 0 H GLN A 45 14.412 -10.042 2.693 1.00 0.78 H new ATOM 0 HA GLN A 45 11.765 -10.930 2.868 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.532 -10.006 0.577 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.811 -10.288 0.406 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.687 -8.481 2.615 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.841 -7.884 0.974 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.100 -7.346 -0.204 1.00 1.43 H new ATOM 0 HE22 GLN A 45 9.447 -7.385 0.417 1.00 1.43 H new ATOM 692 N LEU A 46 13.885 -12.869 1.292 1.00 0.78 N ATOM 693 CA LEU A 46 14.056 -14.206 0.737 1.00 0.78 C ATOM 694 C LEU A 46 13.211 -15.160 1.570 1.00 0.74 C ATOM 695 O LEU A 46 12.116 -15.517 1.139 1.00 0.75 O ATOM 696 CB LEU A 46 15.534 -14.637 0.692 1.00 0.83 C ATOM 697 CG LEU A 46 16.314 -14.300 -0.594 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.572 -15.152 -0.676 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.450 -14.514 -1.827 1.00 1.30 C ATOM 0 H LEU A 46 14.750 -12.338 1.393 1.00 0.78 H new ATOM 0 HA LEU A 46 13.724 -14.218 -0.301 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.049 -14.174 1.534 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.579 -15.715 0.845 1.00 0.83 H new ATOM 0 HG LEU A 46 16.597 -13.248 -0.559 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.118 -14.908 -1.587 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.204 -14.952 0.190 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.297 -16.207 -0.689 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.024 -14.269 -2.721 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.134 -15.556 -1.873 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.572 -13.870 -1.772 1.00 1.30 H new ATOM 711 N PRO A 47 13.643 -15.575 2.782 1.00 0.78 N ATOM 712 CA PRO A 47 12.772 -16.414 3.572 1.00 0.80 C ATOM 713 C PRO A 47 11.728 -15.594 4.311 1.00 0.77 C ATOM 714 O PRO A 47 11.953 -15.124 5.427 1.00 0.81 O ATOM 715 CB PRO A 47 13.734 -17.035 4.586 1.00 0.90 C ATOM 716 CG PRO A 47 14.841 -16.048 4.726 1.00 0.95 C ATOM 717 CD PRO A 47 14.954 -15.352 3.398 1.00 0.90 C ATOM 0 HA PRO A 47 12.223 -17.134 2.965 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.240 -17.211 5.541 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.106 -17.998 4.237 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.628 -15.335 5.522 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.775 -16.546 4.985 1.00 0.95 H new ATOM 0 HD2 PRO A 47 15.165 -14.289 3.518 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.758 -15.770 2.793 1.00 0.90 H new ATOM 725 N HIS A 48 10.585 -15.427 3.662 1.00 0.73 N ATOM 726 CA HIS A 48 9.428 -14.788 4.258 1.00 0.74 C ATOM 727 C HIS A 48 8.501 -15.888 4.742 1.00 0.83 C ATOM 728 O HIS A 48 8.781 -17.064 4.507 1.00 0.91 O ATOM 729 CB HIS A 48 8.725 -13.819 3.280 1.00 0.73 C ATOM 730 CG HIS A 48 7.578 -13.107 3.906 1.00 0.98 C ATOM 731 ND1 HIS A 48 7.734 -12.119 4.850 1.00 1.87 N ATOM 732 CD2 HIS A 48 6.245 -13.283 3.758 1.00 1.34 C ATOM 733 CE1 HIS A 48 6.547 -11.717 5.259 1.00 2.04 C ATOM 734 NE2 HIS A 48 5.625 -12.407 4.612 1.00 1.61 N ATOM 0 H HIS A 48 10.436 -15.734 2.701 1.00 0.73 H new ATOM 0 HA HIS A 48 9.738 -14.165 5.097 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.447 -13.088 2.917 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.372 -14.377 2.413 1.00 0.73 H new ATOM 0 HD1 HIS A 48 8.627 -11.755 5.181 1.00 1.87 H new ATOM 0 HD2 HIS A 48 5.760 -13.982 3.093 1.00 1.34 H new ATOM 0 HE1 HIS A 48 6.360 -10.952 5.998 1.00 2.04 H new ATOM 743 N LEU A 49 7.412 -15.554 5.414 1.00 0.88 N ATOM 744 CA LEU A 49 6.466 -16.588 5.784 1.00 1.00 C ATOM 745 C LEU A 49 5.919 -17.180 4.481 1.00 0.98 C ATOM 746 O LEU A 49 6.332 -18.259 4.058 1.00 1.02 O ATOM 747 CB LEU A 49 5.344 -16.022 6.664 1.00 1.10 C ATOM 748 CG LEU A 49 4.292 -17.036 7.122 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.432 -16.444 8.228 1.00 2.02 C ATOM 750 CD2 LEU A 49 3.424 -17.476 5.953 1.00 2.44 C ATOM 0 H LEU A 49 7.167 -14.608 5.706 1.00 0.88 H new ATOM 0 HA LEU A 49 6.951 -17.363 6.377 1.00 1.00 H new ATOM 0 HB2 LEU A 49 5.793 -15.566 7.547 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.841 -15.226 6.115 1.00 1.10 H new ATOM 0 HG LEU A 49 4.808 -17.912 7.514 1.00 1.62 H new ATOM 0 HD11 LEU A 49 2.689 -17.177 8.543 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.062 -16.179 9.077 1.00 2.02 H new ATOM 0 HD13 LEU A 49 2.927 -15.551 7.858 1.00 2.02 H new ATOM 0 HD21 LEU A 49 2.683 -18.196 6.301 1.00 2.44 H new ATOM 0 HD22 LEU A 49 2.916 -16.609 5.530 1.00 2.44 H new ATOM 0 HD23 LEU A 49 4.049 -17.938 5.189 1.00 2.44 H new ATOM 762 N LEU A 50 4.988 -16.463 3.849 1.00 0.98 N ATOM 763 CA LEU A 50 4.436 -16.876 2.559 1.00 1.01 C ATOM 764 C LEU A 50 5.343 -16.385 1.422 1.00 0.92 C ATOM 765 O LEU A 50 4.878 -15.760 0.468 1.00 1.01 O ATOM 766 CB LEU A 50 3.018 -16.329 2.376 1.00 1.11 C ATOM 767 CG LEU A 50 2.912 -14.808 2.242 1.00 1.60 C ATOM 768 CD1 LEU A 50 1.779 -14.440 1.300 1.00 1.97 C ATOM 769 CD2 LEU A 50 2.698 -14.162 3.603 1.00 2.25 C ATOM 0 H LEU A 50 4.600 -15.592 4.211 1.00 0.98 H new ATOM 0 HA LEU A 50 4.388 -17.965 2.534 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.583 -16.786 1.487 1.00 1.11 H new ATOM 0 HB3 LEU A 50 2.413 -16.645 3.226 1.00 1.11 H new ATOM 0 HG LEU A 50 3.848 -14.434 1.828 1.00 1.60 H new ATOM 0 HD11 LEU A 50 1.715 -13.355 1.214 1.00 1.97 H new ATOM 0 HD12 LEU A 50 1.968 -14.871 0.317 1.00 1.97 H new ATOM 0 HD13 LEU A 50 0.839 -14.829 1.692 1.00 1.97 H new ATOM 0 HD21 LEU A 50 2.625 -13.081 3.485 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.777 -14.542 4.045 1.00 2.25 H new ATOM 0 HD23 LEU A 50 3.538 -14.400 4.255 1.00 2.25 H new ATOM 781 N LYS A 51 6.635 -16.684 1.528 1.00 0.85 N ATOM 782 CA LYS A 51 7.630 -16.247 0.555 1.00 0.81 C ATOM 783 C LYS A 51 7.142 -16.309 -0.891 1.00 0.88 C ATOM 784 O LYS A 51 6.299 -17.125 -1.262 1.00 1.03 O ATOM 785 CB LYS A 51 8.912 -17.073 0.710 1.00 0.97 C ATOM 786 CG LYS A 51 9.947 -16.833 -0.388 1.00 1.23 C ATOM 787 CD LYS A 51 11.028 -17.908 -0.415 1.00 2.11 C ATOM 788 CE LYS A 51 11.668 -18.116 0.945 1.00 2.68 C ATOM 789 NZ LYS A 51 11.860 -19.558 1.255 1.00 3.58 N ATOM 0 H LYS A 51 7.021 -17.237 2.293 1.00 0.85 H new ATOM 0 HA LYS A 51 7.828 -15.197 0.768 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.363 -16.845 1.676 1.00 0.97 H new ATOM 0 HB3 LYS A 51 8.650 -18.131 0.722 1.00 0.97 H new ATOM 0 HG2 LYS A 51 9.446 -16.802 -1.355 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.412 -15.858 -0.238 1.00 1.23 H new ATOM 0 HD2 LYS A 51 10.594 -18.848 -0.757 1.00 2.11 H new ATOM 0 HD3 LYS A 51 11.796 -17.630 -1.137 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.632 -17.607 0.974 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.044 -17.660 1.713 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 12.300 -19.656 2.192 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 10.938 -20.039 1.253 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 12.477 -19.988 0.537 1.00 3.58 H new ATOM 803 N ASP A 52 7.713 -15.408 -1.685 1.00 0.92 N ATOM 804 CA ASP A 52 7.437 -15.300 -3.113 1.00 1.17 C ATOM 805 C ASP A 52 8.691 -15.651 -3.925 1.00 1.23 C ATOM 806 O ASP A 52 8.617 -15.830 -5.139 1.00 1.47 O ATOM 807 CB ASP A 52 6.972 -13.882 -3.464 1.00 1.29 C ATOM 808 CG ASP A 52 6.728 -13.706 -4.950 1.00 1.87 C ATOM 809 OD1 ASP A 52 7.698 -13.412 -5.681 1.00 2.35 O ATOM 810 OD2 ASP A 52 5.567 -13.863 -5.384 1.00 2.61 O ATOM 0 H ASP A 52 8.390 -14.723 -1.349 1.00 0.92 H new ATOM 0 HA ASP A 52 6.642 -16.003 -3.363 1.00 1.17 H new ATOM 0 HB2 ASP A 52 6.055 -13.658 -2.919 1.00 1.29 H new ATOM 0 HB3 ASP A 52 7.723 -13.164 -3.134 1.00 1.29 H new ATOM 815 N VAL A 53 9.846 -15.671 -3.238 1.00 1.13 N ATOM 816 CA VAL A 53 11.139 -16.024 -3.824 1.00 1.26 C ATOM 817 C VAL A 53 11.508 -15.114 -4.976 1.00 1.24 C ATOM 818 O VAL A 53 11.527 -15.517 -6.140 1.00 1.48 O ATOM 819 CB VAL A 53 11.238 -17.513 -4.244 1.00 1.57 C ATOM 820 CG1 VAL A 53 10.175 -17.906 -5.259 1.00 2.17 C ATOM 821 CG2 VAL A 53 12.627 -17.820 -4.781 1.00 1.91 C ATOM 0 H VAL A 53 9.902 -15.438 -2.247 1.00 1.13 H new ATOM 0 HA VAL A 53 11.867 -15.875 -3.026 1.00 1.26 H new ATOM 0 HB VAL A 53 11.058 -18.110 -3.350 1.00 1.57 H new ATOM 0 HG11 VAL A 53 10.291 -18.958 -5.518 1.00 2.17 H new ATOM 0 HG12 VAL A 53 9.186 -17.744 -4.831 1.00 2.17 H new ATOM 0 HG13 VAL A 53 10.286 -17.297 -6.156 1.00 2.17 H new ATOM 0 HG21 VAL A 53 12.681 -18.869 -5.072 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.829 -17.192 -5.649 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.369 -17.619 -4.008 1.00 1.91 H new ATOM 831 N GLY A 54 11.805 -13.874 -4.625 1.00 1.06 N ATOM 832 CA GLY A 54 12.195 -12.892 -5.607 1.00 1.11 C ATOM 833 C GLY A 54 13.497 -13.257 -6.283 1.00 1.14 C ATOM 834 O GLY A 54 14.093 -14.292 -5.987 1.00 1.24 O ATOM 0 H GLY A 54 11.782 -13.529 -3.665 1.00 1.06 H new ATOM 0 HA2 GLY A 54 11.410 -12.798 -6.358 1.00 1.11 H new ATOM 0 HA3 GLY A 54 12.296 -11.919 -5.127 1.00 1.11 H new ATOM 838 N SER A 55 13.937 -12.404 -7.192 1.00 1.18 N ATOM 839 CA SER A 55 15.170 -12.632 -7.931 1.00 1.25 C ATOM 840 C SER A 55 16.402 -12.237 -7.124 1.00 1.11 C ATOM 841 O SER A 55 16.334 -11.377 -6.250 1.00 1.10 O ATOM 842 CB SER A 55 15.144 -11.838 -9.230 1.00 1.41 C ATOM 843 OG SER A 55 14.724 -12.643 -10.317 1.00 1.61 O ATOM 0 H SER A 55 13.455 -11.540 -7.438 1.00 1.18 H new ATOM 0 HA SER A 55 15.234 -13.700 -8.140 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.472 -10.986 -9.125 1.00 1.41 H new ATOM 0 HB3 SER A 55 16.137 -11.437 -9.434 1.00 1.41 H new ATOM 0 HG SER A 55 14.715 -12.107 -11.137 1.00 1.61 H new ATOM 849 N LEU A 56 17.530 -12.871 -7.427 1.00 1.15 N ATOM 850 CA LEU A 56 18.785 -12.569 -6.748 1.00 1.10 C ATOM 851 C LEU A 56 19.414 -11.313 -7.349 1.00 0.98 C ATOM 852 O LEU A 56 19.472 -10.265 -6.709 1.00 0.97 O ATOM 853 CB LEU A 56 19.754 -13.747 -6.866 1.00 1.28 C ATOM 854 CG LEU A 56 19.253 -15.059 -6.261 1.00 2.03 C ATOM 855 CD1 LEU A 56 20.300 -16.152 -6.413 1.00 2.61 C ATOM 856 CD2 LEU A 56 18.896 -14.865 -4.795 1.00 2.83 C ATOM 0 H LEU A 56 17.601 -13.598 -8.139 1.00 1.15 H new ATOM 0 HA LEU A 56 18.577 -12.394 -5.692 1.00 1.10 H new ATOM 0 HB2 LEU A 56 19.975 -13.912 -7.921 1.00 1.28 H new ATOM 0 HB3 LEU A 56 20.692 -13.476 -6.382 1.00 1.28 H new ATOM 0 HG LEU A 56 18.356 -15.366 -6.799 1.00 2.03 H new ATOM 0 HD11 LEU A 56 19.925 -17.078 -5.977 1.00 2.61 H new ATOM 0 HD12 LEU A 56 20.511 -16.309 -7.471 1.00 2.61 H new ATOM 0 HD13 LEU A 56 21.215 -15.853 -5.901 1.00 2.61 H new ATOM 0 HD21 LEU A 56 18.541 -15.808 -4.379 1.00 2.83 H new ATOM 0 HD22 LEU A 56 19.778 -14.535 -4.246 1.00 2.83 H new ATOM 0 HD23 LEU A 56 18.112 -14.112 -4.708 1.00 2.83 H new ATOM 868 N ASP A 57 19.881 -11.418 -8.590 1.00 1.00 N ATOM 869 CA ASP A 57 20.484 -10.274 -9.269 1.00 1.01 C ATOM 870 C ASP A 57 19.550 -9.084 -9.209 1.00 0.95 C ATOM 871 O ASP A 57 19.982 -7.940 -9.071 1.00 0.96 O ATOM 872 CB ASP A 57 20.782 -10.581 -10.729 1.00 1.15 C ATOM 873 CG ASP A 57 19.764 -11.514 -11.357 1.00 1.69 C ATOM 874 OD1 ASP A 57 18.729 -11.019 -11.850 1.00 2.48 O ATOM 875 OD2 ASP A 57 20.003 -12.740 -11.357 1.00 2.20 O ATOM 0 H ASP A 57 19.854 -12.275 -9.142 1.00 1.00 H new ATOM 0 HA ASP A 57 21.420 -10.051 -8.758 1.00 1.01 H new ATOM 0 HB2 ASP A 57 20.809 -9.648 -11.293 1.00 1.15 H new ATOM 0 HB3 ASP A 57 21.773 -11.028 -10.806 1.00 1.15 H new ATOM 880 N GLU A 58 18.259 -9.370 -9.324 1.00 0.94 N ATOM 881 CA GLU A 58 17.238 -8.337 -9.266 1.00 0.95 C ATOM 882 C GLU A 58 17.471 -7.459 -8.051 1.00 0.87 C ATOM 883 O GLU A 58 17.086 -6.294 -8.023 1.00 0.90 O ATOM 884 CB GLU A 58 15.845 -8.964 -9.197 1.00 0.98 C ATOM 885 CG GLU A 58 14.732 -7.939 -9.073 1.00 1.43 C ATOM 886 CD GLU A 58 13.355 -8.573 -9.048 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.786 -8.801 -10.136 1.00 2.42 O ATOM 888 OE2 GLU A 58 12.844 -8.840 -7.939 1.00 2.29 O ATOM 0 H GLU A 58 17.895 -10.313 -9.458 1.00 0.94 H new ATOM 0 HA GLU A 58 17.300 -7.730 -10.169 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.679 -9.564 -10.092 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.801 -9.643 -8.345 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.877 -7.359 -8.162 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.791 -7.241 -9.908 1.00 1.43 H new ATOM 895 N LYS A 59 18.107 -8.044 -7.042 1.00 0.81 N ATOM 896 CA LYS A 59 18.418 -7.325 -5.830 1.00 0.76 C ATOM 897 C LYS A 59 19.457 -6.246 -6.106 1.00 0.80 C ATOM 898 O LYS A 59 19.417 -5.172 -5.512 1.00 0.79 O ATOM 899 CB LYS A 59 18.903 -8.299 -4.755 1.00 0.75 C ATOM 900 CG LYS A 59 17.941 -9.458 -4.529 1.00 0.75 C ATOM 901 CD LYS A 59 18.500 -10.499 -3.567 1.00 1.14 C ATOM 902 CE LYS A 59 19.934 -10.890 -3.895 1.00 1.95 C ATOM 903 NZ LYS A 59 20.462 -11.901 -2.940 1.00 2.67 N ATOM 0 H LYS A 59 18.414 -9.017 -7.048 1.00 0.81 H new ATOM 0 HA LYS A 59 17.516 -6.834 -5.464 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.878 -8.693 -5.042 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.041 -7.759 -3.818 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.999 -9.074 -4.137 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.718 -9.933 -5.484 1.00 0.75 H new ATOM 0 HD2 LYS A 59 18.457 -10.108 -2.550 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.870 -11.388 -3.594 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.980 -11.288 -4.909 1.00 1.95 H new ATOM 0 HE3 LYS A 59 20.567 -10.003 -3.872 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 21.441 -12.142 -3.196 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 20.442 -11.512 -1.976 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 19.873 -12.757 -2.980 1.00 2.67 H new ATOM 917 N MET A 60 20.384 -6.537 -7.016 1.00 0.86 N ATOM 918 CA MET A 60 21.418 -5.582 -7.382 1.00 0.92 C ATOM 919 C MET A 60 20.881 -4.563 -8.379 1.00 0.96 C ATOM 920 O MET A 60 21.364 -3.433 -8.457 1.00 1.01 O ATOM 921 CB MET A 60 22.636 -6.299 -7.966 1.00 1.00 C ATOM 922 CG MET A 60 23.294 -7.270 -6.999 1.00 1.00 C ATOM 923 SD MET A 60 24.724 -8.101 -7.717 1.00 1.73 S ATOM 924 CE MET A 60 25.229 -9.146 -6.353 1.00 2.31 C ATOM 0 H MET A 60 20.437 -7.427 -7.511 1.00 0.86 H new ATOM 0 HA MET A 60 21.726 -5.056 -6.478 1.00 0.92 H new ATOM 0 HB2 MET A 60 22.333 -6.841 -8.862 1.00 1.00 H new ATOM 0 HB3 MET A 60 23.370 -5.556 -8.277 1.00 1.00 H new ATOM 0 HG2 MET A 60 23.603 -6.731 -6.103 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.564 -8.016 -6.686 1.00 1.00 H new ATOM 0 HE1 MET A 60 26.106 -9.725 -6.643 1.00 2.31 H new ATOM 0 HE2 MET A 60 25.473 -8.526 -5.491 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.416 -9.824 -6.094 1.00 2.31 H new ATOM 934 N LYS A 61 19.890 -4.984 -9.145 1.00 0.97 N ATOM 935 CA LYS A 61 19.253 -4.130 -10.134 1.00 1.02 C ATOM 936 C LYS A 61 18.239 -3.237 -9.447 1.00 0.96 C ATOM 937 O LYS A 61 18.207 -2.023 -9.656 1.00 0.92 O ATOM 938 CB LYS A 61 18.574 -4.996 -11.197 1.00 1.08 C ATOM 939 CG LYS A 61 17.561 -4.257 -12.054 1.00 1.55 C ATOM 940 CD LYS A 61 16.910 -5.185 -13.069 1.00 2.07 C ATOM 941 CE LYS A 61 15.733 -4.518 -13.762 1.00 2.59 C ATOM 942 NZ LYS A 61 14.566 -4.369 -12.850 1.00 3.16 N ATOM 0 H LYS A 61 19.504 -5.927 -9.100 1.00 0.97 H new ATOM 0 HA LYS A 61 20.001 -3.504 -10.621 1.00 1.02 H new ATOM 0 HB2 LYS A 61 19.340 -5.421 -11.846 1.00 1.08 H new ATOM 0 HB3 LYS A 61 18.075 -5.830 -10.704 1.00 1.08 H new ATOM 0 HG2 LYS A 61 16.794 -3.818 -11.416 1.00 1.55 H new ATOM 0 HG3 LYS A 61 18.053 -3.435 -12.574 1.00 1.55 H new ATOM 0 HD2 LYS A 61 17.648 -5.487 -13.813 1.00 2.07 H new ATOM 0 HD3 LYS A 61 16.572 -6.093 -12.569 1.00 2.07 H new ATOM 0 HE2 LYS A 61 16.035 -3.537 -14.128 1.00 2.59 H new ATOM 0 HE3 LYS A 61 15.442 -5.107 -14.632 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 14.086 -3.467 -13.044 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 13.902 -5.154 -13.005 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 14.893 -4.381 -11.863 1.00 3.16 H new ATOM 956 N THR A 62 17.409 -3.859 -8.625 1.00 0.98 N ATOM 957 CA THR A 62 16.392 -3.142 -7.885 1.00 0.96 C ATOM 958 C THR A 62 17.009 -1.980 -7.114 1.00 0.86 C ATOM 959 O THR A 62 16.322 -1.022 -6.765 1.00 0.84 O ATOM 960 CB THR A 62 15.642 -4.073 -6.913 1.00 1.02 C ATOM 961 OG1 THR A 62 14.994 -5.124 -7.642 1.00 1.12 O ATOM 962 CG2 THR A 62 14.610 -3.300 -6.106 1.00 1.05 C ATOM 0 H THR A 62 17.423 -4.865 -8.455 1.00 0.98 H new ATOM 0 HA THR A 62 15.675 -2.752 -8.608 1.00 0.96 H new ATOM 0 HB THR A 62 16.370 -4.502 -6.225 1.00 1.02 H new ATOM 0 HG1 THR A 62 15.647 -5.572 -8.220 1.00 1.12 H new ATOM 0 HG21 THR A 62 14.095 -3.980 -5.428 1.00 1.05 H new ATOM 0 HG22 THR A 62 15.108 -2.521 -5.529 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.886 -2.844 -6.782 1.00 1.05 H new ATOM 970 N LEU A 63 18.312 -2.073 -6.850 1.00 0.86 N ATOM 971 CA LEU A 63 19.025 -1.016 -6.145 1.00 0.84 C ATOM 972 C LEU A 63 18.706 0.340 -6.768 1.00 0.80 C ATOM 973 O LEU A 63 18.311 1.282 -6.083 1.00 0.89 O ATOM 974 CB LEU A 63 20.532 -1.267 -6.195 1.00 0.95 C ATOM 975 CG LEU A 63 21.165 -1.697 -4.874 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.714 -3.094 -4.491 1.00 1.05 C ATOM 977 CD2 LEU A 63 22.682 -1.626 -4.962 1.00 1.40 C ATOM 0 H LEU A 63 18.892 -2.869 -7.115 1.00 0.86 H new ATOM 0 HA LEU A 63 18.701 -1.015 -5.104 1.00 0.84 H new ATOM 0 HB2 LEU A 63 20.731 -2.036 -6.942 1.00 0.95 H new ATOM 0 HB3 LEU A 63 21.024 -0.356 -6.536 1.00 0.95 H new ATOM 0 HG LEU A 63 20.834 -1.009 -4.096 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.177 -3.380 -3.547 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.630 -3.109 -4.382 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.011 -3.798 -5.268 1.00 1.05 H new ATOM 0 HD21 LEU A 63 23.116 -1.936 -4.012 1.00 1.40 H new ATOM 0 HD22 LEU A 63 23.032 -2.288 -5.754 1.00 1.40 H new ATOM 0 HD23 LEU A 63 22.986 -0.603 -5.184 1.00 1.40 H new ATOM 989 N ASP A 64 18.882 0.420 -8.080 1.00 0.79 N ATOM 990 CA ASP A 64 18.609 1.648 -8.812 1.00 0.82 C ATOM 991 C ASP A 64 17.113 1.799 -9.075 1.00 0.82 C ATOM 992 O ASP A 64 16.550 2.879 -8.891 1.00 0.89 O ATOM 993 CB ASP A 64 19.389 1.662 -10.128 1.00 0.91 C ATOM 994 CG ASP A 64 19.019 2.831 -11.020 1.00 1.35 C ATOM 995 OD1 ASP A 64 19.587 3.927 -10.830 1.00 1.99 O ATOM 996 OD2 ASP A 64 18.161 2.649 -11.910 1.00 2.05 O ATOM 0 H ASP A 64 19.213 -0.352 -8.659 1.00 0.79 H new ATOM 0 HA ASP A 64 18.933 2.493 -8.204 1.00 0.82 H new ATOM 0 HB2 ASP A 64 20.457 1.700 -9.911 1.00 0.91 H new ATOM 0 HB3 ASP A 64 19.205 0.730 -10.663 1.00 0.91 H new ATOM 1001 N VAL A 65 16.473 0.716 -9.505 1.00 0.82 N ATOM 1002 CA VAL A 65 15.041 0.743 -9.779 1.00 0.87 C ATOM 1003 C VAL A 65 14.273 1.213 -8.548 1.00 0.77 C ATOM 1004 O VAL A 65 13.566 2.220 -8.597 1.00 0.82 O ATOM 1005 CB VAL A 65 14.517 -0.637 -10.221 1.00 0.95 C ATOM 1006 CG1 VAL A 65 13.025 -0.576 -10.506 1.00 1.06 C ATOM 1007 CG2 VAL A 65 15.280 -1.125 -11.444 1.00 1.07 C ATOM 0 H VAL A 65 16.920 -0.186 -9.670 1.00 0.82 H new ATOM 0 HA VAL A 65 14.881 1.444 -10.598 1.00 0.87 H new ATOM 0 HB VAL A 65 14.678 -1.346 -9.409 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.673 -1.560 -10.817 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.495 -0.269 -9.605 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.836 0.145 -11.301 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.899 -2.101 -11.745 1.00 1.07 H new ATOM 0 HG22 VAL A 65 15.148 -0.416 -12.262 1.00 1.07 H new ATOM 0 HG23 VAL A 65 16.340 -1.208 -11.203 1.00 1.07 H new ATOM 1017 N ASN A 66 14.413 0.479 -7.443 1.00 0.72 N ATOM 1018 CA ASN A 66 13.748 0.844 -6.187 1.00 0.68 C ATOM 1019 C ASN A 66 14.551 1.884 -5.409 1.00 0.57 C ATOM 1020 O ASN A 66 14.497 1.915 -4.183 1.00 0.57 O ATOM 1021 CB ASN A 66 13.548 -0.370 -5.286 1.00 0.82 C ATOM 1022 CG ASN A 66 12.366 -1.242 -5.681 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.758 -1.890 -4.829 1.00 1.51 O ATOM 1024 ND2 ASN A 66 12.028 -1.271 -6.967 1.00 1.10 N ATOM 0 H ASN A 66 14.978 -0.369 -7.390 1.00 0.72 H new ATOM 0 HA ASN A 66 12.780 1.259 -6.466 1.00 0.68 H new ATOM 0 HB2 ASN A 66 14.455 -0.975 -5.301 1.00 0.82 H new ATOM 0 HB3 ASN A 66 13.409 -0.030 -4.260 1.00 0.82 H new ATOM 0 HD21 ASN A 66 11.242 -1.843 -7.275 1.00 1.10 H new ATOM 0 HD22 ASN A 66 12.555 -0.721 -7.645 1.00 1.10 H new ATOM 1031 N GLN A 67 15.291 2.735 -6.102 1.00 0.62 N ATOM 1032 CA GLN A 67 16.085 3.748 -5.448 1.00 0.68 C ATOM 1033 C GLN A 67 15.192 4.569 -4.562 1.00 0.61 C ATOM 1034 O GLN A 67 15.330 4.621 -3.340 1.00 0.66 O ATOM 1035 CB GLN A 67 16.685 4.667 -6.504 1.00 0.88 C ATOM 1036 CG GLN A 67 17.366 5.866 -5.920 1.00 0.74 C ATOM 1037 CD GLN A 67 16.481 7.075 -5.800 1.00 1.15 C ATOM 1038 OE1 GLN A 67 16.349 7.858 -6.741 1.00 1.97 O ATOM 1039 NE2 GLN A 67 15.908 7.255 -4.612 1.00 1.36 N ATOM 0 H GLN A 67 15.354 2.739 -7.120 1.00 0.62 H new ATOM 0 HA GLN A 67 16.874 3.276 -4.863 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.402 4.104 -7.102 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.896 4.998 -7.180 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.748 5.609 -4.932 1.00 0.74 H new ATOM 0 HG3 GLN A 67 18.227 6.119 -6.539 1.00 0.74 H new ATOM 0 HE21 GLN A 67 16.052 6.573 -3.868 1.00 1.36 H new ATOM 0 HE22 GLN A 67 15.325 8.075 -4.446 1.00 1.36 H new ATOM 1048 N ASP A 68 14.274 5.207 -5.241 1.00 0.59 N ATOM 1049 CA ASP A 68 13.285 6.070 -4.627 1.00 0.62 C ATOM 1050 C ASP A 68 12.134 5.255 -4.040 1.00 0.59 C ATOM 1051 O ASP A 68 11.106 5.831 -3.696 1.00 0.66 O ATOM 1052 CB ASP A 68 12.713 7.049 -5.664 1.00 0.74 C ATOM 1053 CG ASP A 68 13.749 7.948 -6.303 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.259 8.856 -5.615 1.00 1.51 O ATOM 1055 OD2 ASP A 68 14.050 7.745 -7.497 1.00 1.62 O ATOM 0 H ASP A 68 14.187 5.143 -6.255 1.00 0.59 H new ATOM 0 HA ASP A 68 13.781 6.620 -3.828 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.210 6.480 -6.446 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.956 7.669 -5.184 1.00 0.74 H new ATOM 1060 N SER A 69 12.305 3.924 -3.888 1.00 0.56 N ATOM 1061 CA SER A 69 11.229 3.077 -3.354 1.00 0.59 C ATOM 1062 C SER A 69 10.628 3.744 -2.140 1.00 0.63 C ATOM 1063 O SER A 69 9.449 3.588 -1.838 1.00 0.75 O ATOM 1064 CB SER A 69 11.734 1.683 -2.989 1.00 0.68 C ATOM 1065 OG SER A 69 11.388 0.745 -3.993 1.00 1.75 O ATOM 0 H SER A 69 13.163 3.425 -4.124 1.00 0.56 H new ATOM 0 HA SER A 69 10.471 2.957 -4.129 1.00 0.59 H new ATOM 0 HB2 SER A 69 12.816 1.705 -2.862 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.308 1.375 -2.034 1.00 0.68 H new ATOM 0 HG SER A 69 10.772 0.080 -3.621 1.00 1.75 H new ATOM 1071 N GLU A 70 11.475 4.491 -1.457 1.00 0.64 N ATOM 1072 CA GLU A 70 11.059 5.259 -0.310 1.00 0.76 C ATOM 1073 C GLU A 70 11.667 6.631 -0.379 1.00 0.78 C ATOM 1074 O GLU A 70 12.697 6.853 -1.016 1.00 0.81 O ATOM 1075 CB GLU A 70 11.446 4.610 1.005 1.00 0.85 C ATOM 1076 CG GLU A 70 11.360 5.574 2.194 1.00 1.33 C ATOM 1077 CD GLU A 70 9.946 6.012 2.498 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.009 5.394 1.965 1.00 2.88 O ATOM 1079 OE2 GLU A 70 9.776 6.977 3.271 1.00 2.72 O ATOM 0 H GLU A 70 12.465 4.579 -1.684 1.00 0.64 H new ATOM 0 HA GLU A 70 9.971 5.313 -0.339 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.794 3.756 1.188 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.463 4.225 0.929 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.783 5.093 3.076 1.00 1.33 H new ATOM 0 HG3 GLU A 70 11.970 6.453 1.987 1.00 1.33 H new ATOM 1086 N LEU A 71 10.981 7.560 0.224 1.00 0.79 N ATOM 1087 CA LEU A 71 11.447 8.895 0.247 1.00 0.83 C ATOM 1088 C LEU A 71 11.018 9.686 1.458 1.00 0.81 C ATOM 1089 O LEU A 71 10.198 9.259 2.271 1.00 0.86 O ATOM 1090 CB LEU A 71 11.036 9.605 -0.993 1.00 0.99 C ATOM 1091 CG LEU A 71 9.553 9.557 -1.254 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.111 8.111 -1.500 1.00 1.89 C ATOM 1093 CD2 LEU A 71 8.788 10.204 -0.122 1.00 1.26 C ATOM 0 H LEU A 71 10.095 7.405 0.705 1.00 0.79 H new ATOM 0 HA LEU A 71 12.533 8.824 0.305 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.351 10.646 -0.926 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.560 9.167 -1.843 1.00 0.99 H new ATOM 0 HG LEU A 71 9.329 10.129 -2.154 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.038 8.086 -1.688 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.640 7.711 -2.365 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.340 7.506 -0.623 1.00 1.89 H new ATOM 0 HD21 LEU A 71 7.719 10.158 -0.332 1.00 1.26 H new ATOM 0 HD22 LEU A 71 8.998 9.676 0.808 1.00 1.26 H new ATOM 0 HD23 LEU A 71 9.094 11.246 -0.025 1.00 1.26 H new ATOM 1105 N ARG A 72 11.616 10.846 1.546 1.00 0.77 N ATOM 1106 CA ARG A 72 11.339 11.823 2.562 1.00 0.79 C ATOM 1107 C ARG A 72 10.639 13.023 1.914 1.00 0.68 C ATOM 1108 O ARG A 72 9.919 13.771 2.573 1.00 0.75 O ATOM 1109 CB ARG A 72 12.656 12.283 3.171 1.00 0.91 C ATOM 1110 CG ARG A 72 13.684 11.179 3.300 1.00 1.00 C ATOM 1111 CD ARG A 72 13.084 9.938 3.929 1.00 1.06 C ATOM 1112 NE ARG A 72 12.162 10.269 5.015 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.267 9.419 5.508 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.156 8.199 5.001 1.00 1.56 N ATOM 1115 NH2 ARG A 72 10.476 9.790 6.506 1.00 1.42 N ATOM 0 H ARG A 72 12.335 11.145 0.887 1.00 0.77 H new ATOM 0 HA ARG A 72 10.702 11.394 3.335 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.070 13.083 2.558 1.00 0.91 H new ATOM 0 HB3 ARG A 72 12.463 12.705 4.157 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.083 10.934 2.316 1.00 1.00 H new ATOM 0 HG3 ARG A 72 14.521 11.528 3.905 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.557 9.364 3.167 1.00 1.06 H new ATOM 0 HD3 ARG A 72 13.883 9.302 4.312 1.00 1.06 H new ATOM 0 HE ARG A 72 12.208 11.205 5.417 1.00 1.30 H new ATOM 0 HH11 ARG A 72 11.759 7.910 4.230 1.00 1.56 H new ATOM 0 HH12 ARG A 72 10.468 7.549 5.382 1.00 1.56 H new ATOM 0 HH21 ARG A 72 10.554 10.729 6.896 1.00 1.42 H new ATOM 0 HH22 ARG A 72 9.790 9.136 6.883 1.00 1.42 H new ATOM 1129 N PHE A 73 10.856 13.183 0.598 1.00 0.60 N ATOM 1130 CA PHE A 73 10.299 14.291 -0.155 1.00 0.57 C ATOM 1131 C PHE A 73 9.083 13.905 -1.019 1.00 0.51 C ATOM 1132 O PHE A 73 8.101 13.389 -0.496 1.00 0.63 O ATOM 1133 CB PHE A 73 11.390 14.996 -0.982 1.00 0.64 C ATOM 1134 CG PHE A 73 12.290 14.115 -1.826 1.00 0.58 C ATOM 1135 CD1 PHE A 73 11.978 12.793 -2.131 1.00 1.24 C ATOM 1136 CD2 PHE A 73 13.464 14.646 -2.337 1.00 1.36 C ATOM 1137 CE1 PHE A 73 12.820 12.033 -2.921 1.00 1.31 C ATOM 1138 CE2 PHE A 73 14.307 13.888 -3.123 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.985 12.582 -3.416 1.00 0.86 C ATOM 0 H PHE A 73 11.422 12.544 0.039 1.00 0.60 H new ATOM 0 HA PHE A 73 9.914 14.998 0.580 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.904 15.715 -1.642 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.019 15.566 -0.298 1.00 0.64 H new ATOM 0 HD1 PHE A 73 11.068 12.356 -1.746 1.00 1.24 H new ATOM 0 HD2 PHE A 73 13.723 15.671 -2.116 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.566 11.009 -3.151 1.00 1.31 H new ATOM 0 HE2 PHE A 73 15.219 14.319 -3.508 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.643 11.988 -4.032 1.00 0.86 H new ATOM 1149 N SER A 74 9.150 14.107 -2.344 1.00 0.48 N ATOM 1150 CA SER A 74 7.978 13.861 -3.190 1.00 0.46 C ATOM 1151 C SER A 74 8.021 12.566 -3.953 1.00 0.42 C ATOM 1152 O SER A 74 7.141 12.295 -4.768 1.00 0.47 O ATOM 1153 CB SER A 74 7.763 15.004 -4.177 1.00 0.60 C ATOM 1154 OG SER A 74 8.998 15.475 -4.689 1.00 1.01 O ATOM 0 H SER A 74 9.980 14.431 -2.840 1.00 0.48 H new ATOM 0 HA SER A 74 7.145 13.793 -2.490 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.131 14.666 -4.998 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.235 15.820 -3.684 1.00 0.60 H new ATOM 0 HG SER A 74 8.833 16.206 -5.320 1.00 1.01 H new ATOM 1160 N GLU A 75 9.005 11.760 -3.692 1.00 0.43 N ATOM 1161 CA GLU A 75 9.097 10.492 -4.382 1.00 0.42 C ATOM 1162 C GLU A 75 8.011 9.521 -3.886 1.00 0.42 C ATOM 1163 O GLU A 75 7.872 8.431 -4.430 1.00 0.55 O ATOM 1164 CB GLU A 75 10.473 9.876 -4.127 1.00 0.44 C ATOM 1165 CG GLU A 75 11.529 10.155 -5.157 1.00 0.60 C ATOM 1166 CD GLU A 75 11.180 9.625 -6.533 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.332 8.714 -6.621 1.00 1.42 O ATOM 1168 OE2 GLU A 75 11.759 10.120 -7.523 1.00 1.60 O ATOM 0 H GLU A 75 9.749 11.945 -3.019 1.00 0.43 H new ATOM 0 HA GLU A 75 8.953 10.666 -5.448 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.834 10.233 -3.162 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.354 8.796 -4.043 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.690 11.231 -5.220 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.470 9.711 -4.832 1.00 0.60 H new ATOM 1175 N TYR A 76 7.259 9.918 -2.825 1.00 0.38 N ATOM 1176 CA TYR A 76 6.230 9.054 -2.192 1.00 0.38 C ATOM 1177 C TYR A 76 5.435 8.229 -3.173 1.00 0.39 C ATOM 1178 O TYR A 76 4.888 7.193 -2.808 1.00 0.43 O ATOM 1179 CB TYR A 76 5.300 9.853 -1.274 1.00 0.40 C ATOM 1180 CG TYR A 76 5.658 9.798 0.201 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.446 8.778 0.719 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.251 10.804 1.067 1.00 1.22 C ATOM 1183 CE1 TYR A 76 6.821 8.750 2.027 1.00 1.30 C ATOM 1184 CE2 TYR A 76 5.616 10.781 2.401 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.406 9.752 2.878 1.00 0.49 C ATOM 1186 OH TYR A 76 6.784 9.733 4.201 1.00 0.55 O ATOM 0 H TYR A 76 7.348 10.836 -2.389 1.00 0.38 H new ATOM 0 HA TYR A 76 6.792 8.345 -1.584 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.303 10.895 -1.595 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.282 9.483 -1.400 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.771 7.983 0.064 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.642 11.614 0.695 1.00 1.22 H new ATOM 0 HE1 TYR A 76 7.441 7.946 2.397 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.285 11.564 3.067 1.00 1.25 H new ATOM 0 HH TYR A 76 6.407 10.512 4.660 1.00 0.55 H new ATOM 1196 N TRP A 77 5.380 8.651 -4.407 1.00 0.39 N ATOM 1197 CA TRP A 77 4.691 7.876 -5.417 1.00 0.43 C ATOM 1198 C TRP A 77 5.395 6.527 -5.602 1.00 0.45 C ATOM 1199 O TRP A 77 4.881 5.651 -6.291 1.00 0.49 O ATOM 1200 CB TRP A 77 4.682 8.620 -6.741 1.00 0.44 C ATOM 1201 CG TRP A 77 6.063 8.876 -7.230 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.980 7.941 -7.597 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.694 10.145 -7.379 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.148 8.550 -7.964 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.998 9.908 -7.846 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.280 11.457 -7.167 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.893 10.944 -8.104 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.164 12.484 -7.418 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.459 12.224 -7.884 1.00 0.55 C ATOM 0 H TRP A 77 5.798 9.519 -4.741 1.00 0.39 H new ATOM 0 HA TRP A 77 3.663 7.715 -5.091 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.134 8.039 -7.483 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.155 9.567 -6.624 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.811 6.874 -7.598 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.994 8.072 -8.275 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.282 11.667 -6.812 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.892 10.745 -8.464 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.853 13.505 -7.253 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.129 13.050 -8.074 1.00 0.55 H new ATOM 1220 N ARG A 78 6.588 6.362 -5.001 1.00 0.43 N ATOM 1221 CA ARG A 78 7.319 5.117 -5.122 1.00 0.47 C ATOM 1222 C ARG A 78 6.739 4.093 -4.165 1.00 0.49 C ATOM 1223 O ARG A 78 6.570 2.929 -4.526 1.00 0.61 O ATOM 1224 CB ARG A 78 8.812 5.349 -4.888 1.00 0.50 C ATOM 1225 CG ARG A 78 9.507 5.905 -6.105 1.00 0.60 C ATOM 1226 CD ARG A 78 9.385 4.963 -7.292 1.00 0.77 C ATOM 1227 NE ARG A 78 9.559 3.566 -6.902 1.00 1.48 N ATOM 1228 CZ ARG A 78 9.088 2.540 -7.603 1.00 1.75 C ATOM 1229 NH1 ARG A 78 8.438 2.752 -8.740 1.00 1.37 N ATOM 1230 NH2 ARG A 78 9.268 1.299 -7.171 1.00 2.82 N ATOM 0 H ARG A 78 7.050 7.075 -4.436 1.00 0.43 H new ATOM 0 HA ARG A 78 7.215 4.725 -6.134 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.943 6.037 -4.053 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.282 4.408 -4.603 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.077 6.873 -6.361 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.560 6.074 -5.879 1.00 0.60 H new ATOM 0 HD2 ARG A 78 8.407 5.091 -7.757 1.00 0.77 H new ATOM 0 HD3 ARG A 78 10.131 5.226 -8.042 1.00 0.77 H new ATOM 0 HE ARG A 78 10.071 3.367 -6.043 1.00 1.48 H new ATOM 0 HH11 ARG A 78 8.299 3.704 -9.078 1.00 1.37 H new ATOM 0 HH12 ARG A 78 8.078 1.963 -9.276 1.00 1.37 H new ATOM 0 HH21 ARG A 78 9.769 1.130 -6.299 1.00 2.82 H new ATOM 0 HH22 ARG A 78 8.905 0.513 -7.711 1.00 2.82 H new ATOM 1244 N LEU A 79 6.430 4.517 -2.936 1.00 0.43 N ATOM 1245 CA LEU A 79 5.796 3.609 -1.988 1.00 0.46 C ATOM 1246 C LEU A 79 4.536 3.042 -2.616 1.00 0.47 C ATOM 1247 O LEU A 79 4.093 1.942 -2.286 1.00 0.53 O ATOM 1248 CB LEU A 79 5.384 4.313 -0.697 1.00 0.55 C ATOM 1249 CG LEU A 79 6.182 5.543 -0.315 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.732 6.025 1.052 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.651 5.216 -0.318 1.00 0.89 C ATOM 0 H LEU A 79 6.604 5.459 -2.585 1.00 0.43 H new ATOM 0 HA LEU A 79 6.523 2.833 -1.749 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.336 4.599 -0.784 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.452 3.595 0.120 1.00 0.55 H new ATOM 0 HG LEU A 79 6.011 6.340 -1.039 1.00 0.63 H new ATOM 0 HD11 LEU A 79 6.303 6.910 1.332 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.671 6.273 1.019 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.898 5.238 1.788 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.222 6.103 -0.043 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.848 4.420 0.400 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.949 4.888 -1.314 1.00 0.89 H new ATOM 1263 N ILE A 80 3.969 3.813 -3.538 1.00 0.46 N ATOM 1264 CA ILE A 80 2.745 3.439 -4.210 1.00 0.49 C ATOM 1265 C ILE A 80 2.733 1.962 -4.619 1.00 0.49 C ATOM 1266 O ILE A 80 1.839 1.214 -4.222 1.00 0.51 O ATOM 1267 CB ILE A 80 2.461 4.403 -5.405 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.971 4.737 -5.481 1.00 0.60 C ATOM 1269 CG2 ILE A 80 2.932 3.841 -6.735 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.643 5.805 -6.503 1.00 1.16 C ATOM 0 H ILE A 80 4.350 4.712 -3.835 1.00 0.46 H new ATOM 0 HA ILE A 80 1.924 3.548 -3.501 1.00 0.49 H new ATOM 0 HB ILE A 80 3.032 5.312 -5.216 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.416 3.831 -5.723 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.630 5.067 -4.500 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.709 4.553 -7.530 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.007 3.666 -6.696 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.418 2.901 -6.935 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.431 5.991 -6.503 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.171 6.725 -6.250 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.953 5.469 -7.493 1.00 1.16 H new ATOM 1282 N GLY A 81 3.712 1.546 -5.407 1.00 0.48 N ATOM 1283 CA GLY A 81 3.785 0.156 -5.809 1.00 0.49 C ATOM 1284 C GLY A 81 4.424 -0.709 -4.734 1.00 0.43 C ATOM 1285 O GLY A 81 4.476 -1.933 -4.860 1.00 0.43 O ATOM 0 H GLY A 81 4.454 2.142 -5.774 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.782 -0.213 -6.025 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.360 0.074 -6.731 1.00 0.49 H new ATOM 1289 N GLU A 82 4.908 -0.065 -3.671 1.00 0.41 N ATOM 1290 CA GLU A 82 5.574 -0.768 -2.575 1.00 0.39 C ATOM 1291 C GLU A 82 4.575 -1.342 -1.594 1.00 0.33 C ATOM 1292 O GLU A 82 4.553 -2.540 -1.341 1.00 0.34 O ATOM 1293 CB GLU A 82 6.496 0.173 -1.837 1.00 0.43 C ATOM 1294 CG GLU A 82 7.656 0.678 -2.682 1.00 0.46 C ATOM 1295 CD GLU A 82 8.978 0.601 -1.945 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.158 1.362 -0.973 1.00 1.47 O ATOM 1297 OE2 GLU A 82 9.827 -0.227 -2.336 1.00 1.39 O ATOM 0 H GLU A 82 4.851 0.946 -3.546 1.00 0.41 H new ATOM 0 HA GLU A 82 6.145 -1.587 -3.013 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.920 1.026 -1.479 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.892 -0.335 -0.958 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.718 0.091 -3.598 1.00 0.46 H new ATOM 0 HG3 GLU A 82 7.466 1.710 -2.977 1.00 0.46 H new ATOM 1304 N LEU A 83 3.744 -0.475 -1.022 1.00 0.34 N ATOM 1305 CA LEU A 83 2.727 -0.921 -0.074 1.00 0.35 C ATOM 1306 C LEU A 83 1.908 -2.042 -0.695 1.00 0.35 C ATOM 1307 O LEU A 83 1.164 -2.737 -0.006 1.00 0.43 O ATOM 1308 CB LEU A 83 1.823 0.246 0.345 1.00 0.43 C ATOM 1309 CG LEU A 83 2.467 1.291 1.268 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.556 2.065 0.543 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.408 2.246 1.801 1.00 1.31 C ATOM 0 H LEU A 83 3.754 0.530 -1.196 1.00 0.34 H new ATOM 0 HA LEU A 83 3.220 -1.297 0.823 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.472 0.751 -0.555 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.944 -0.161 0.845 1.00 0.43 H new ATOM 0 HG LEU A 83 2.926 0.766 2.106 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.994 2.798 1.221 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.329 1.375 0.205 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.126 2.578 -0.317 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.877 2.982 2.454 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.925 2.756 0.967 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.662 1.685 2.364 1.00 1.31 H new ATOM 1323 N ALA A 84 1.997 -2.169 -2.015 1.00 0.34 N ATOM 1324 CA ALA A 84 1.341 -3.246 -2.710 1.00 0.37 C ATOM 1325 C ALA A 84 2.153 -4.531 -2.614 1.00 0.41 C ATOM 1326 O ALA A 84 1.579 -5.610 -2.535 1.00 0.48 O ATOM 1327 CB ALA A 84 1.121 -2.881 -4.158 1.00 0.42 C ATOM 0 H ALA A 84 2.520 -1.533 -2.617 1.00 0.34 H new ATOM 0 HA ALA A 84 0.374 -3.414 -2.236 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.624 -3.705 -4.670 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.498 -1.989 -4.218 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.082 -2.685 -4.634 1.00 0.42 H new ATOM 1333 N LYS A 85 3.494 -4.420 -2.630 1.00 0.42 N ATOM 1334 CA LYS A 85 4.371 -5.601 -2.526 1.00 0.51 C ATOM 1335 C LYS A 85 3.819 -6.568 -1.504 1.00 0.50 C ATOM 1336 O LYS A 85 3.612 -7.748 -1.784 1.00 0.67 O ATOM 1337 CB LYS A 85 5.802 -5.201 -2.141 1.00 0.62 C ATOM 1338 CG LYS A 85 6.790 -5.269 -3.293 1.00 1.18 C ATOM 1339 CD LYS A 85 7.360 -3.898 -3.657 1.00 1.42 C ATOM 1340 CE LYS A 85 7.943 -3.153 -2.455 1.00 1.55 C ATOM 1341 NZ LYS A 85 8.846 -3.999 -1.630 1.00 2.69 N ATOM 0 H LYS A 85 3.991 -3.533 -2.713 1.00 0.42 H new ATOM 0 HA LYS A 85 4.403 -6.082 -3.504 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.791 -4.186 -1.744 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.148 -5.853 -1.339 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.607 -5.940 -3.028 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.297 -5.697 -4.166 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.137 -4.023 -4.411 1.00 1.42 H new ATOM 0 HD3 LYS A 85 6.574 -3.292 -4.106 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.493 -2.280 -2.807 1.00 1.55 H new ATOM 0 HE3 LYS A 85 7.128 -2.786 -1.832 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 8.399 -4.190 -0.711 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 9.025 -4.898 -2.122 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.747 -3.501 -1.480 1.00 2.69 H new ATOM 1355 N GLU A 86 3.569 -6.050 -0.324 1.00 0.45 N ATOM 1356 CA GLU A 86 3.001 -6.845 0.736 1.00 0.45 C ATOM 1357 C GLU A 86 1.700 -7.485 0.268 1.00 0.44 C ATOM 1358 O GLU A 86 1.469 -8.678 0.466 1.00 0.46 O ATOM 1359 CB GLU A 86 2.731 -5.964 1.947 1.00 0.48 C ATOM 1360 CG GLU A 86 1.855 -4.794 1.630 1.00 0.98 C ATOM 1361 CD GLU A 86 1.695 -3.840 2.798 1.00 2.08 C ATOM 1362 OE1 GLU A 86 0.870 -4.126 3.690 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.398 -2.807 2.821 1.00 2.61 O ATOM 0 H GLU A 86 3.751 -5.078 -0.075 1.00 0.45 H new ATOM 0 HA GLU A 86 3.706 -7.630 1.009 1.00 0.45 H new ATOM 0 HB2 GLU A 86 2.262 -6.562 2.728 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.679 -5.604 2.347 1.00 0.48 H new ATOM 0 HG2 GLU A 86 2.273 -4.253 0.781 1.00 0.98 H new ATOM 0 HG3 GLU A 86 0.873 -5.155 1.325 1.00 0.98 H new ATOM 1370 N VAL A 87 0.852 -6.672 -0.358 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.432 -7.140 -0.852 1.00 0.46 C ATOM 1372 C VAL A 87 -0.321 -7.829 -2.206 1.00 0.47 C ATOM 1373 O VAL A 87 -1.329 -8.214 -2.798 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.452 -5.986 -0.948 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.853 -6.521 -1.182 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.409 -5.119 0.302 1.00 0.81 C ATOM 0 H VAL A 87 1.036 -5.684 -0.533 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.783 -7.874 -0.126 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.179 -5.365 -1.801 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.554 -5.689 -1.246 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.875 -7.087 -2.113 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.137 -7.172 -0.355 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.137 -4.313 0.211 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.648 -5.727 1.175 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.411 -4.696 0.417 1.00 0.81 H new ATOM 1386 N ARG A 88 0.893 -7.987 -2.698 1.00 0.50 N ATOM 1387 CA ARG A 88 1.094 -8.633 -3.986 1.00 0.52 C ATOM 1388 C ARG A 88 1.034 -10.148 -3.855 1.00 0.50 C ATOM 1389 O ARG A 88 0.170 -10.795 -4.444 1.00 0.59 O ATOM 1390 CB ARG A 88 2.422 -8.190 -4.589 1.00 0.56 C ATOM 1391 CG ARG A 88 2.613 -8.645 -6.023 1.00 0.67 C ATOM 1392 CD ARG A 88 3.888 -8.077 -6.621 1.00 1.33 C ATOM 1393 NE ARG A 88 3.892 -6.618 -6.616 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.957 -5.882 -6.919 1.00 2.72 C ATOM 1395 NH1 ARG A 88 6.099 -6.469 -7.248 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.879 -4.559 -6.892 1.00 3.50 N ATOM 0 H ARG A 88 1.748 -7.682 -2.233 1.00 0.50 H new ATOM 0 HA ARG A 88 0.288 -8.330 -4.655 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.486 -7.103 -4.549 1.00 0.56 H new ATOM 0 HB3 ARG A 88 3.237 -8.580 -3.980 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.646 -9.734 -6.059 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.758 -8.332 -6.622 1.00 0.67 H new ATOM 0 HD2 ARG A 88 4.747 -8.444 -6.059 1.00 1.33 H new ATOM 0 HD3 ARG A 88 4.000 -8.436 -7.644 1.00 1.33 H new ATOM 0 HE ARG A 88 3.029 -6.135 -6.366 1.00 1.83 H new ATOM 0 HH11 ARG A 88 6.162 -7.487 -7.269 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.915 -5.903 -7.480 1.00 3.25 H new ATOM 0 HH21 ARG A 88 4.001 -4.105 -6.639 1.00 3.50 H new ATOM 0 HH22 ARG A 88 5.696 -3.995 -7.125 1.00 3.50 H new ATOM 1410 N LYS A 89 1.949 -10.709 -3.081 1.00 0.47 N ATOM 1411 CA LYS A 89 1.969 -12.149 -2.867 1.00 0.49 C ATOM 1412 C LYS A 89 0.808 -12.524 -1.972 1.00 0.49 C ATOM 1413 O LYS A 89 0.243 -13.612 -2.076 1.00 0.55 O ATOM 1414 CB LYS A 89 3.295 -12.634 -2.265 1.00 0.56 C ATOM 1415 CG LYS A 89 3.654 -12.064 -0.886 1.00 0.70 C ATOM 1416 CD LYS A 89 4.193 -10.626 -0.920 1.00 1.55 C ATOM 1417 CE LYS A 89 5.019 -10.340 -2.168 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.742 -9.042 -2.091 1.00 3.29 N ATOM 0 H LYS A 89 2.683 -10.195 -2.593 1.00 0.47 H new ATOM 0 HA LYS A 89 1.873 -12.641 -3.835 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.261 -13.721 -2.190 1.00 0.56 H new ATOM 0 HB3 LYS A 89 4.098 -12.387 -2.959 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.768 -12.093 -0.251 1.00 0.70 H new ATOM 0 HG3 LYS A 89 4.400 -12.709 -0.422 1.00 0.70 H new ATOM 0 HD2 LYS A 89 3.358 -9.927 -0.874 1.00 1.55 H new ATOM 0 HD3 LYS A 89 4.805 -10.450 -0.035 1.00 1.55 H new ATOM 0 HE2 LYS A 89 5.739 -11.145 -2.315 1.00 2.44 H new ATOM 0 HE3 LYS A 89 4.364 -10.336 -3.039 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 6.558 -9.061 -2.735 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.101 -8.271 -2.367 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 6.073 -8.886 -1.117 1.00 3.29 H new ATOM 1432 N GLU A 90 0.460 -11.596 -1.093 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.653 -11.776 -0.191 1.00 0.52 C ATOM 1434 C GLU A 90 -1.954 -11.934 -0.979 1.00 0.55 C ATOM 1435 O GLU A 90 -2.958 -12.404 -0.445 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.733 -10.583 0.765 1.00 0.55 C ATOM 1437 CG GLU A 90 0.221 -10.689 1.939 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.206 -11.738 2.945 1.00 1.26 C ATOM 1439 OE1 GLU A 90 0.099 -12.929 2.728 1.00 1.97 O ATOM 1440 OE2 GLU A 90 -0.843 -11.368 3.954 1.00 1.95 O ATOM 0 H GLU A 90 0.943 -10.703 -0.990 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.503 -12.684 0.393 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.518 -9.669 0.212 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.752 -10.496 1.141 1.00 0.55 H new ATOM 0 HG2 GLU A 90 1.219 -10.929 1.571 1.00 0.62 H new ATOM 0 HG3 GLU A 90 0.289 -9.721 2.436 1.00 0.62 H new ATOM 1447 N LYS A 91 -1.928 -11.548 -2.259 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.105 -11.658 -3.111 1.00 0.61 C ATOM 1449 C LYS A 91 -3.657 -13.076 -3.084 1.00 0.63 C ATOM 1450 O LYS A 91 -4.851 -13.290 -2.875 1.00 0.70 O ATOM 1451 CB LYS A 91 -2.778 -11.232 -4.549 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.042 -12.282 -5.366 1.00 0.61 C ATOM 1453 CD LYS A 91 -1.764 -11.782 -6.775 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.180 -12.876 -7.654 1.00 0.70 C ATOM 1455 NZ LYS A 91 -0.938 -12.399 -9.044 1.00 1.38 N ATOM 0 H LYS A 91 -1.106 -11.159 -2.721 1.00 0.54 H new ATOM 0 HA LYS A 91 -3.870 -10.985 -2.722 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -3.707 -10.978 -5.059 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.174 -10.325 -4.517 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.103 -12.537 -4.875 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.636 -13.195 -5.411 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -2.688 -11.413 -7.219 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.072 -10.941 -6.733 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.243 -13.228 -7.222 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.861 -13.727 -7.675 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -0.540 -13.173 -9.612 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -1.836 -12.087 -9.465 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.269 -11.603 -9.026 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.774 -14.035 -3.302 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.154 -15.445 -3.309 1.00 0.66 C ATOM 1471 C ALA A 92 -3.243 -16.030 -1.904 1.00 0.64 C ATOM 1472 O ALA A 92 -3.806 -17.103 -1.716 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.193 -16.243 -4.171 1.00 0.75 C ATOM 0 H ALA A 92 -1.784 -13.866 -3.478 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.154 -15.512 -3.738 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.487 -17.293 -4.168 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.218 -15.862 -5.192 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.183 -16.148 -3.773 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.642 -15.368 -0.925 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.729 -15.848 0.454 1.00 0.66 C ATOM 1481 C LEU A 93 -4.019 -15.382 1.094 1.00 0.59 C ATOM 1482 O LEU A 93 -4.529 -16.020 2.015 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.543 -15.399 1.293 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.307 -16.286 2.514 1.00 0.82 C ATOM 1485 CD1 LEU A 93 -0.251 -17.338 2.213 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.909 -15.447 3.719 1.00 0.95 C ATOM 0 H LEU A 93 -2.099 -14.514 -1.051 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.714 -16.937 0.417 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.646 -15.397 0.673 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.705 -14.373 1.622 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.239 -16.798 2.753 1.00 0.82 H new ATOM 0 HD11 LEU A 93 -0.096 -17.961 3.094 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.584 -17.961 1.383 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.685 -16.848 1.946 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.746 -16.098 4.578 1.00 0.95 H new ATOM 0 HD22 LEU A 93 0.009 -14.903 3.496 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.705 -14.738 3.947 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.551 -14.264 0.608 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.796 -13.751 1.147 1.00 0.52 C ATOM 1500 C GLY A 94 -6.823 -14.838 1.303 1.00 0.52 C ATOM 1501 O GLY A 94 -7.618 -14.828 2.241 1.00 0.57 O ATOM 0 H GLY A 94 -4.145 -13.708 -0.144 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.609 -13.285 2.114 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.185 -12.974 0.489 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.814 -15.769 0.360 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.743 -16.879 0.396 1.00 0.57 C ATOM 1507 C ILE A 95 -7.437 -17.801 1.549 1.00 0.61 C ATOM 1508 O ILE A 95 -7.078 -18.958 1.352 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.728 -17.688 -0.905 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.302 -17.959 -1.361 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.475 -16.931 -1.963 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.193 -19.060 -2.392 1.00 1.68 C ATOM 0 H ILE A 95 -6.175 -15.774 -0.435 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.735 -16.446 0.523 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.211 -18.649 -0.730 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.882 -17.042 -1.775 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.697 -18.224 -0.494 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.468 -17.501 -2.892 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.504 -16.775 -1.640 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.996 -15.966 -2.126 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.148 -19.197 -2.669 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.582 -19.989 -1.975 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -6.770 -18.789 -3.276 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.561 -17.282 2.755 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.318 -18.088 3.921 1.00 0.74 C ATOM 1526 C ARG A 96 -8.439 -19.118 4.054 1.00 0.82 C ATOM 1527 O ARG A 96 -8.306 -20.101 4.782 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.205 -17.230 5.178 1.00 0.84 C ATOM 1529 CG ARG A 96 -6.375 -15.969 5.002 1.00 1.65 C ATOM 1530 CD ARG A 96 -4.891 -16.293 5.024 1.00 2.45 C ATOM 1531 NE ARG A 96 -4.488 -16.899 6.290 1.00 2.91 N ATOM 1532 CZ ARG A 96 -3.295 -17.447 6.499 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -2.391 -17.460 5.529 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -3.005 -17.983 7.677 1.00 4.48 N ATOM 0 H ARG A 96 -7.826 -16.316 2.946 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.365 -18.604 3.806 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -8.207 -16.949 5.503 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.768 -17.831 5.976 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.633 -15.487 4.059 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -6.609 -15.260 5.796 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.655 -16.972 4.204 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -4.317 -15.381 4.858 1.00 2.45 H new ATOM 0 HE ARG A 96 -5.160 -16.902 7.057 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -2.611 -17.049 4.622 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -1.476 -17.881 5.690 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -3.698 -17.975 8.425 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -2.089 -18.403 7.835 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.553 -18.882 3.341 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.665 -19.818 3.350 1.00 0.95 C ATOM 1550 C LYS A 97 -10.390 -20.911 2.323 1.00 0.94 C ATOM 1551 O LYS A 97 -10.879 -20.856 1.195 1.00 0.98 O ATOM 1552 CB LYS A 97 -12.003 -19.127 3.012 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.994 -17.600 3.084 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.634 -17.100 4.472 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.310 -15.613 4.462 1.00 1.85 C ATOM 1556 NZ LYS A 97 -11.016 -15.100 5.829 1.00 2.92 N ATOM 0 H LYS A 97 -9.697 -18.056 2.760 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.753 -20.236 4.353 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.301 -19.424 2.006 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.767 -19.501 3.694 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.280 -17.207 2.360 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.976 -17.218 2.804 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.463 -17.288 5.154 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.777 -17.658 4.850 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.452 -15.433 3.814 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.150 -15.061 4.040 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -10.800 -14.084 5.779 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.844 -15.249 6.441 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.199 -15.609 6.222 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.595 -21.898 2.717 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.248 -22.998 1.824 1.00 1.06 C ATOM 1572 C LYS A 98 -9.888 -24.303 2.289 1.00 1.22 C ATOM 1573 O LYS A 98 -11.020 -24.596 1.848 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.725 -23.152 1.738 1.00 1.08 C ATOM 1575 CG LYS A 98 -7.037 -22.028 0.971 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.546 -22.285 0.821 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.867 -21.159 0.058 1.00 2.00 C ATOM 1578 NZ LYS A 98 -3.396 -21.361 -0.041 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.254 -25.021 3.089 1.00 1.70 O ATOM 0 H LYS A 98 -9.179 -21.960 3.646 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.635 -22.766 0.832 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.316 -23.195 2.747 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.491 -24.103 1.259 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.491 -21.928 -0.015 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -7.194 -21.083 1.491 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.091 -22.386 1.806 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.388 -23.229 0.299 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -5.292 -21.092 -0.943 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -5.070 -20.210 0.555 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.972 -20.571 -0.568 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.986 -21.400 0.914 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.201 -22.254 -0.538 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.879 -4.168 -2.126 1.00 0.65 N ATOM 1595 CA MET B 1 18.286 -5.460 -2.558 1.00 0.59 C ATOM 1596 C MET B 1 17.003 -5.237 -3.342 1.00 0.59 C ATOM 1597 O MET B 1 16.666 -4.110 -3.697 1.00 0.60 O ATOM 1598 CB MET B 1 17.983 -6.339 -1.343 1.00 0.58 C ATOM 1599 CG MET B 1 19.056 -7.380 -1.035 1.00 0.60 C ATOM 1600 SD MET B 1 20.746 -6.765 -1.220 1.00 0.94 S ATOM 1601 CE MET B 1 21.688 -8.218 -0.762 1.00 1.18 C ATOM 0 H1 MET B 1 19.908 -4.277 -2.018 1.00 0.65 H new ATOM 0 H2 MET B 1 18.681 -3.439 -2.841 1.00 0.65 H new ATOM 0 H3 MET B 1 18.464 -3.882 -1.216 1.00 0.65 H new ATOM 0 HA MET B 1 19.012 -5.959 -3.200 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.853 -5.699 -0.470 1.00 0.58 H new ATOM 0 HB3 MET B 1 17.034 -6.850 -1.507 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.919 -7.738 -0.014 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.917 -8.237 -1.694 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.615 -8.247 -1.335 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.921 -8.180 0.302 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.103 -9.113 -0.974 1.00 1.18 H new ATOM 1613 N ALA B 2 16.313 -6.332 -3.637 1.00 0.61 N ATOM 1614 CA ALA B 2 15.055 -6.272 -4.363 1.00 0.64 C ATOM 1615 C ALA B 2 13.872 -6.671 -3.482 1.00 0.62 C ATOM 1616 O ALA B 2 14.039 -7.288 -2.431 1.00 0.71 O ATOM 1617 CB ALA B 2 15.110 -7.150 -5.604 1.00 0.72 C ATOM 0 H ALA B 2 16.607 -7.275 -3.382 1.00 0.61 H new ATOM 0 HA ALA B 2 14.905 -5.237 -4.669 1.00 0.64 H new ATOM 0 HB1 ALA B 2 14.159 -7.091 -6.134 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.911 -6.806 -6.258 1.00 0.72 H new ATOM 0 HB3 ALA B 2 15.299 -8.183 -5.311 1.00 0.72 H new ATOM 1623 N ALA B 3 12.678 -6.286 -3.916 1.00 0.73 N ATOM 1624 CA ALA B 3 11.446 -6.606 -3.205 1.00 0.75 C ATOM 1625 C ALA B 3 11.048 -8.057 -3.461 1.00 0.65 C ATOM 1626 O ALA B 3 10.245 -8.335 -4.351 1.00 0.81 O ATOM 1627 CB ALA B 3 10.338 -5.683 -3.674 1.00 1.04 C ATOM 0 H ALA B 3 12.536 -5.744 -4.769 1.00 0.73 H new ATOM 0 HA ALA B 3 11.608 -6.470 -2.136 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.417 -5.922 -3.143 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.616 -4.649 -3.472 1.00 1.04 H new ATOM 0 HB3 ALA B 3 10.184 -5.814 -4.745 1.00 1.04 H new ATOM 1633 N GLU B 4 11.618 -8.982 -2.696 1.00 0.62 N ATOM 1634 CA GLU B 4 11.302 -10.395 -2.867 1.00 0.75 C ATOM 1635 C GLU B 4 9.861 -10.662 -2.426 1.00 0.74 C ATOM 1636 O GLU B 4 8.931 -10.352 -3.171 1.00 0.86 O ATOM 1637 CB GLU B 4 12.313 -11.264 -2.110 1.00 0.97 C ATOM 1638 CG GLU B 4 13.542 -11.655 -2.928 1.00 1.45 C ATOM 1639 CD GLU B 4 13.955 -10.600 -3.940 1.00 2.42 C ATOM 1640 OE1 GLU B 4 13.941 -9.405 -3.591 1.00 3.02 O ATOM 1641 OE2 GLU B 4 14.272 -10.974 -5.087 1.00 3.20 O ATOM 0 H GLU B 4 12.294 -8.782 -1.959 1.00 0.62 H new ATOM 0 HA GLU B 4 11.379 -10.662 -3.921 1.00 0.75 H new ATOM 0 HB2 GLU B 4 12.640 -10.728 -1.219 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.813 -12.171 -1.771 1.00 0.97 H new ATOM 0 HG2 GLU B 4 14.375 -11.844 -2.251 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.339 -12.589 -3.451 1.00 1.45 H new ATOM 1648 N THR B 5 9.650 -11.230 -1.237 1.00 0.70 N ATOM 1649 CA THR B 5 8.290 -11.473 -0.782 1.00 0.75 C ATOM 1650 C THR B 5 7.671 -10.211 -0.134 1.00 0.62 C ATOM 1651 O THR B 5 7.805 -9.115 -0.680 1.00 0.79 O ATOM 1652 CB THR B 5 8.217 -12.676 0.173 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.054 -13.737 -0.301 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.777 -13.153 0.274 1.00 1.08 C ATOM 0 H THR B 5 10.384 -11.521 -0.591 1.00 0.70 H new ATOM 0 HA THR B 5 7.698 -11.716 -1.664 1.00 0.75 H new ATOM 0 HB THR B 5 8.568 -12.373 1.159 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.921 -13.697 0.153 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.723 -14.006 0.951 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.152 -12.346 0.657 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.422 -13.450 -0.713 1.00 1.08 H new ATOM 1662 N LEU B 6 7.023 -10.349 1.036 1.00 0.54 N ATOM 1663 CA LEU B 6 6.365 -9.233 1.697 1.00 0.50 C ATOM 1664 C LEU B 6 7.365 -8.308 2.376 1.00 0.49 C ATOM 1665 O LEU B 6 7.913 -8.651 3.422 1.00 0.56 O ATOM 1666 CB LEU B 6 5.400 -9.774 2.759 1.00 0.60 C ATOM 1667 CG LEU B 6 3.998 -10.172 2.285 1.00 0.75 C ATOM 1668 CD1 LEU B 6 3.927 -11.663 2.019 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.957 -9.786 3.323 1.00 1.07 C ATOM 0 H LEU B 6 6.947 -11.234 1.538 1.00 0.54 H new ATOM 0 HA LEU B 6 5.831 -8.663 0.936 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.861 -10.646 3.223 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.293 -9.018 3.537 1.00 0.60 H new ATOM 0 HG LEU B 6 3.790 -9.639 1.357 1.00 0.75 H new ATOM 0 HD11 LEU B 6 2.924 -11.925 1.684 1.00 1.15 H new ATOM 0 HD12 LEU B 6 4.649 -11.930 1.247 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.157 -12.207 2.935 1.00 1.15 H new ATOM 0 HD21 LEU B 6 1.967 -10.076 2.971 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.172 -10.297 4.261 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.984 -8.708 3.482 1.00 1.07 H new ATOM 1681 N THR B 7 7.577 -7.124 1.808 1.00 0.50 N ATOM 1682 CA THR B 7 8.491 -6.166 2.411 1.00 0.53 C ATOM 1683 C THR B 7 7.896 -5.704 3.725 1.00 0.48 C ATOM 1684 O THR B 7 6.707 -5.890 3.960 1.00 0.55 O ATOM 1685 CB THR B 7 8.744 -4.943 1.499 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.781 -4.922 0.441 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.163 -4.949 0.914 1.00 0.80 C ATOM 0 H THR B 7 7.135 -6.810 0.944 1.00 0.50 H new ATOM 0 HA THR B 7 9.452 -6.656 2.564 1.00 0.53 H new ATOM 0 HB THR B 7 8.643 -4.046 2.110 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.273 -4.085 0.478 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.299 -4.073 0.280 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.891 -4.926 1.725 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.308 -5.852 0.321 1.00 0.80 H new ATOM 1695 N GLU B 8 8.718 -5.105 4.578 1.00 0.46 N ATOM 1696 CA GLU B 8 8.266 -4.641 5.893 1.00 0.45 C ATOM 1697 C GLU B 8 6.868 -4.023 5.826 1.00 0.41 C ATOM 1698 O GLU B 8 6.108 -4.063 6.794 1.00 0.42 O ATOM 1699 CB GLU B 8 9.251 -3.622 6.469 1.00 0.50 C ATOM 1700 CG GLU B 8 10.710 -4.038 6.350 1.00 0.52 C ATOM 1701 CD GLU B 8 10.981 -5.397 6.966 1.00 1.09 C ATOM 1702 OE1 GLU B 8 10.809 -6.414 6.259 1.00 1.67 O ATOM 1703 OE2 GLU B 8 11.363 -5.446 8.154 1.00 1.94 O ATOM 0 H GLU B 8 9.704 -4.927 4.386 1.00 0.46 H new ATOM 0 HA GLU B 8 8.221 -5.513 6.546 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.112 -2.669 5.958 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.015 -3.458 7.520 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.994 -4.057 5.298 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.338 -3.291 6.836 1.00 0.52 H new ATOM 1710 N LEU B 9 6.546 -3.453 4.673 1.00 0.41 N ATOM 1711 CA LEU B 9 5.247 -2.833 4.447 1.00 0.40 C ATOM 1712 C LEU B 9 4.110 -3.779 4.797 1.00 0.38 C ATOM 1713 O LEU B 9 3.003 -3.347 5.111 1.00 0.40 O ATOM 1714 CB LEU B 9 5.143 -2.413 2.981 1.00 0.46 C ATOM 1715 CG LEU B 9 6.412 -1.771 2.397 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.070 -0.897 1.212 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.177 -0.971 3.449 1.00 0.93 C ATOM 0 H LEU B 9 7.175 -3.407 3.871 1.00 0.41 H new ATOM 0 HA LEU B 9 5.162 -1.960 5.095 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.890 -3.290 2.385 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.317 -1.709 2.878 1.00 0.46 H new ATOM 0 HG LEU B 9 7.062 -2.579 2.061 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.982 -0.452 0.813 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.593 -1.501 0.440 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.388 -0.107 1.527 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.067 -0.533 2.997 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.539 -0.177 3.837 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.472 -1.631 4.265 1.00 0.93 H new ATOM 1729 N GLU B 10 4.389 -5.072 4.746 1.00 0.38 N ATOM 1730 CA GLU B 10 3.388 -6.071 5.079 1.00 0.39 C ATOM 1731 C GLU B 10 2.859 -5.825 6.479 1.00 0.38 C ATOM 1732 O GLU B 10 1.668 -5.978 6.737 1.00 0.40 O ATOM 1733 CB GLU B 10 3.982 -7.465 4.963 1.00 0.45 C ATOM 1734 CG GLU B 10 5.382 -7.558 5.537 1.00 0.45 C ATOM 1735 CD GLU B 10 5.483 -8.558 6.673 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.787 -9.593 6.616 1.00 1.26 O ATOM 1737 OE2 GLU B 10 6.256 -8.304 7.620 1.00 1.16 O ATOM 0 H GLU B 10 5.297 -5.452 4.478 1.00 0.38 H new ATOM 0 HA GLU B 10 2.557 -5.994 4.377 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.335 -8.174 5.479 1.00 0.45 H new ATOM 0 HB3 GLU B 10 4.004 -7.759 3.914 1.00 0.45 H new ATOM 0 HG2 GLU B 10 6.077 -7.841 4.746 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.690 -6.575 5.895 1.00 0.45 H new ATOM 1744 N ALA B 11 3.748 -5.432 7.386 1.00 0.39 N ATOM 1745 CA ALA B 11 3.342 -5.128 8.749 1.00 0.39 C ATOM 1746 C ALA B 11 2.259 -4.065 8.715 1.00 0.36 C ATOM 1747 O ALA B 11 1.386 -4.013 9.582 1.00 0.39 O ATOM 1748 CB ALA B 11 4.532 -4.659 9.574 1.00 0.42 C ATOM 0 H ALA B 11 4.745 -5.318 7.202 1.00 0.39 H new ATOM 0 HA ALA B 11 2.950 -6.030 9.220 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.206 -4.437 10.590 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.289 -5.443 9.599 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.955 -3.761 9.124 1.00 0.42 H new ATOM 1754 N ALA B 12 2.329 -3.214 7.694 1.00 0.33 N ATOM 1755 CA ALA B 12 1.347 -2.165 7.507 1.00 0.32 C ATOM 1756 C ALA B 12 0.034 -2.768 7.030 1.00 0.33 C ATOM 1757 O ALA B 12 -1.039 -2.216 7.269 1.00 0.34 O ATOM 1758 CB ALA B 12 1.856 -1.124 6.519 1.00 0.34 C ATOM 0 H ALA B 12 3.061 -3.236 6.984 1.00 0.33 H new ATOM 0 HA ALA B 12 1.176 -1.665 8.461 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.104 -0.345 6.392 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.777 -0.682 6.899 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.052 -1.600 5.558 1.00 0.34 H new ATOM 1764 N ILE B 13 0.130 -3.913 6.350 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.052 -4.606 5.860 1.00 0.40 C ATOM 1766 C ILE B 13 -2.056 -4.781 7.005 1.00 0.39 C ATOM 1767 O ILE B 13 -3.266 -4.846 6.791 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.685 -5.982 5.220 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.636 -6.300 4.060 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.693 -7.123 6.239 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.038 -6.662 4.501 1.00 2.05 C ATOM 0 H ILE B 13 1.013 -4.374 6.130 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.509 -4.002 5.076 1.00 0.40 H new ATOM 0 HB ILE B 13 0.334 -5.897 4.842 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.685 -5.437 3.396 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.223 -7.125 3.480 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.431 -8.057 5.742 1.00 0.99 H new ATOM 0 HG22 ILE B 13 0.033 -6.914 7.025 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.687 -7.212 6.678 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.652 -6.873 3.625 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.002 -7.544 5.140 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.471 -5.830 5.055 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.519 -4.847 8.226 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.329 -5.007 9.425 1.00 0.42 C ATOM 1785 C GLU B 14 -3.155 -3.756 9.707 1.00 0.38 C ATOM 1786 O GLU B 14 -4.298 -3.851 10.151 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.436 -5.324 10.625 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.702 -6.650 10.506 1.00 0.79 C ATOM 1789 CD GLU B 14 -1.647 -7.832 10.420 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -2.018 -8.374 11.482 1.00 2.02 O ATOM 1791 OE2 GLU B 14 -2.017 -8.216 9.290 1.00 2.25 O ATOM 0 H GLU B 14 -0.516 -4.791 8.405 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.016 -5.836 9.257 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.706 -4.524 10.745 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.046 -5.336 11.528 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.067 -6.632 9.620 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.045 -6.776 11.367 1.00 0.79 H new ATOM 1798 N THR B 15 -2.581 -2.580 9.457 1.00 0.30 N ATOM 1799 CA THR B 15 -3.293 -1.344 9.686 1.00 0.28 C ATOM 1800 C THR B 15 -4.392 -1.159 8.644 1.00 0.28 C ATOM 1801 O THR B 15 -5.557 -0.943 8.973 1.00 0.34 O ATOM 1802 CB THR B 15 -2.342 -0.137 9.644 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.328 -0.276 10.648 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.104 1.162 9.863 1.00 0.32 C ATOM 0 H THR B 15 -1.633 -2.467 9.099 1.00 0.30 H new ATOM 0 HA THR B 15 -3.740 -1.402 10.678 1.00 0.28 H new ATOM 0 HB THR B 15 -1.876 -0.105 8.659 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.465 0.013 10.284 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.409 2.001 9.829 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.854 1.280 9.081 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.595 1.136 10.836 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.995 -1.258 7.385 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.901 -1.112 6.253 1.00 0.28 C ATOM 1814 C VAL B 16 -5.972 -2.195 6.242 1.00 0.30 C ATOM 1815 O VAL B 16 -7.103 -1.951 5.822 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.097 -1.178 4.942 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.374 -2.508 4.838 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.993 -0.968 3.735 1.00 0.33 C ATOM 0 H VAL B 16 -3.029 -1.443 7.116 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.399 -0.147 6.346 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.361 -0.374 4.956 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.809 -2.543 3.907 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.692 -2.618 5.681 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.101 -3.320 4.852 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.396 -1.020 2.825 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.759 -1.743 3.711 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.469 0.010 3.801 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.621 -3.387 6.705 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.575 -4.485 6.734 1.00 0.33 C ATOM 1830 C VAL B 17 -7.568 -4.319 7.882 1.00 0.30 C ATOM 1831 O VAL B 17 -8.738 -4.685 7.765 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.876 -5.854 6.855 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.249 -6.030 8.228 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.857 -6.978 6.562 1.00 0.50 C ATOM 0 H VAL B 17 -4.693 -3.616 7.062 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.112 -4.456 5.786 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.075 -5.892 6.117 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.763 -7.004 8.284 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.510 -5.246 8.394 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.023 -5.966 8.992 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.348 -7.938 6.652 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.681 -6.936 7.274 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.246 -6.867 5.550 1.00 0.50 H new ATOM 1844 N SER B 18 -7.089 -3.758 8.988 1.00 0.33 N ATOM 1845 CA SER B 18 -7.915 -3.555 10.174 1.00 0.40 C ATOM 1846 C SER B 18 -8.787 -2.295 10.094 1.00 0.44 C ATOM 1847 O SER B 18 -9.787 -2.185 10.798 1.00 0.59 O ATOM 1848 CB SER B 18 -7.029 -3.485 11.418 1.00 0.51 C ATOM 1849 OG SER B 18 -7.803 -3.276 12.586 1.00 1.32 O ATOM 0 H SER B 18 -6.127 -3.434 9.088 1.00 0.33 H new ATOM 0 HA SER B 18 -8.591 -4.408 10.234 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.461 -4.410 11.516 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.306 -2.677 11.308 1.00 0.51 H new ATOM 0 HG SER B 18 -7.212 -3.237 13.367 1.00 1.32 H new ATOM 1855 N THR B 19 -8.399 -1.330 9.275 1.00 0.37 N ATOM 1856 CA THR B 19 -9.171 -0.094 9.169 1.00 0.45 C ATOM 1857 C THR B 19 -10.349 -0.169 8.199 1.00 0.46 C ATOM 1858 O THR B 19 -11.475 -0.474 8.590 1.00 0.53 O ATOM 1859 CB THR B 19 -8.287 1.109 8.793 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.671 0.901 7.513 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.218 1.345 9.849 1.00 0.49 C ATOM 0 H THR B 19 -7.570 -1.372 8.682 1.00 0.37 H new ATOM 0 HA THR B 19 -9.582 0.047 10.169 1.00 0.45 H new ATOM 0 HB THR B 19 -8.925 1.991 8.739 1.00 0.45 H new ATOM 0 HG1 THR B 19 -7.114 1.675 7.288 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.606 2.200 9.562 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.693 1.545 10.809 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.588 0.459 9.933 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.070 0.113 6.933 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.093 0.160 5.896 1.00 0.53 C ATOM 1871 C PHE B 20 -11.460 -1.219 5.395 1.00 0.53 C ATOM 1872 O PHE B 20 -12.575 -1.458 4.939 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.547 1.027 4.764 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.180 0.829 3.421 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.533 1.028 3.226 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.397 0.451 2.349 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -13.094 0.848 1.979 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -10.948 0.268 1.103 1.00 1.77 C ATOM 1879 CZ PHE B 20 -12.297 0.465 0.915 1.00 1.18 C ATOM 0 H PHE B 20 -9.129 0.316 6.596 1.00 0.45 H new ATOM 0 HA PHE B 20 -12.012 0.583 6.302 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.662 2.073 5.047 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.478 0.837 4.671 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.156 1.327 4.056 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -9.338 0.297 2.491 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.152 1.006 1.834 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.324 -0.030 0.274 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.733 0.321 -0.062 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.514 -2.108 5.470 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.707 -3.448 5.010 1.00 0.47 C ATOM 1891 C PHE B 21 -11.559 -4.267 5.956 1.00 0.49 C ATOM 1892 O PHE B 21 -12.071 -5.323 5.582 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.330 -4.063 4.783 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.551 -3.415 3.664 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.125 -2.434 2.866 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.236 -3.776 3.417 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.404 -1.837 1.856 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.518 -3.178 2.413 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.097 -2.204 1.631 1.00 0.53 C ATOM 0 H PHE B 21 -9.587 -1.923 5.852 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.265 -3.440 4.073 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.753 -3.990 5.705 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.448 -5.124 4.564 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.148 -2.136 3.039 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -6.770 -4.539 4.023 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.865 -1.080 1.239 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.494 -3.472 2.235 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.528 -1.730 0.845 1.00 0.53 H new ATOM 1909 N THR B 22 -11.715 -3.791 7.174 1.00 0.48 N ATOM 1910 CA THR B 22 -12.561 -4.479 8.124 1.00 0.54 C ATOM 1911 C THR B 22 -14.015 -4.306 7.721 1.00 0.48 C ATOM 1912 O THR B 22 -14.884 -5.075 8.131 1.00 0.53 O ATOM 1913 CB THR B 22 -12.339 -3.972 9.546 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.424 -2.540 9.581 1.00 0.66 O ATOM 1915 CG2 THR B 22 -10.979 -4.430 10.025 1.00 0.81 C ATOM 0 H THR B 22 -11.273 -2.942 7.525 1.00 0.48 H new ATOM 0 HA THR B 22 -12.300 -5.537 8.113 1.00 0.54 H new ATOM 0 HB THR B 22 -13.110 -4.375 10.202 1.00 0.65 H new ATOM 0 HG1 THR B 22 -11.596 -2.154 9.226 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.812 -4.072 11.041 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.937 -5.519 10.012 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.208 -4.029 9.367 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.271 -3.283 6.907 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.606 -3.038 6.400 1.00 0.51 C ATOM 1925 C PHE B 23 -16.020 -4.248 5.568 1.00 0.44 C ATOM 1926 O PHE B 23 -17.198 -4.582 5.481 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.611 -1.697 5.625 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.054 -1.714 4.182 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.217 -2.355 3.766 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.287 -1.059 3.238 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.595 -2.341 2.444 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.661 -1.046 1.914 1.00 1.88 C ATOM 1933 CZ PHE B 23 -16.817 -1.689 1.518 1.00 1.83 C ATOM 0 H PHE B 23 -13.568 -2.616 6.589 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.344 -2.928 7.194 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.255 -1.002 6.164 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -14.601 -1.288 5.660 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.830 -2.870 4.491 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.384 -0.551 3.543 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.501 -2.841 2.134 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -15.051 -0.533 1.185 1.00 1.88 H new ATOM 0 HZ PHE B 23 -17.110 -1.679 0.479 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.023 -4.936 5.003 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.256 -6.150 4.220 1.00 0.59 C ATOM 1945 C ALA B 24 -16.317 -7.019 4.885 1.00 0.61 C ATOM 1946 O ALA B 24 -17.277 -7.456 4.250 1.00 0.67 O ATOM 1947 CB ALA B 24 -13.953 -6.924 4.094 1.00 0.71 C ATOM 0 H ALA B 24 -14.041 -4.669 5.075 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.613 -5.872 3.228 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.123 -7.829 3.511 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.209 -6.304 3.594 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.593 -7.194 5.087 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.120 -7.266 6.176 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.072 -8.042 6.955 1.00 0.85 C ATOM 1955 C GLY B 25 -18.519 -7.709 6.619 1.00 0.74 C ATOM 1956 O GLY B 25 -19.404 -8.551 6.767 1.00 0.82 O ATOM 0 H GLY B 25 -15.310 -6.939 6.702 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -16.898 -9.104 6.780 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -16.899 -7.861 8.016 1.00 0.85 H new ATOM 1960 N ARG B 26 -18.760 -6.473 6.174 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.105 -6.034 5.800 1.00 0.59 C ATOM 1962 C ARG B 26 -20.799 -7.080 4.944 1.00 0.58 C ATOM 1963 O ARG B 26 -22.009 -7.287 5.047 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.037 -4.715 5.037 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.085 -3.501 5.943 1.00 1.18 C ATOM 1966 CD ARG B 26 -21.498 -2.952 6.049 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.464 -3.979 6.435 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.617 -3.722 7.049 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.959 -2.474 7.343 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -24.435 -4.718 7.362 1.00 2.82 N ATOM 0 H ARG B 26 -18.040 -5.759 6.064 1.00 0.61 H new ATOM 0 HA ARG B 26 -20.679 -5.894 6.716 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.118 -4.688 4.451 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -20.866 -4.667 4.331 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -19.721 -3.769 6.935 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -19.420 -2.729 5.557 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.518 -2.144 6.781 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.791 -2.522 5.091 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.241 -4.951 6.221 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.337 -1.704 7.098 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.844 -2.285 7.813 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -24.180 -5.679 7.132 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -25.319 -4.523 7.832 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.019 -7.731 4.101 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.547 -8.783 3.233 1.00 0.57 C ATOM 1986 C GLU B 27 -20.609 -10.118 3.978 1.00 0.80 C ATOM 1987 O GLU B 27 -19.704 -10.466 4.736 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.674 -8.934 1.987 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.543 -7.658 1.177 1.00 0.85 C ATOM 1990 CD GLU B 27 -20.883 -7.136 0.694 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.337 -7.576 -0.383 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.477 -6.289 1.394 1.00 1.79 O ATOM 0 H GLU B 27 -19.020 -7.555 3.994 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.555 -8.498 2.933 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.681 -9.267 2.288 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.093 -9.715 1.353 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.057 -6.894 1.784 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -18.897 -7.841 0.318 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.695 -10.855 3.748 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.900 -12.137 4.405 1.00 1.87 C ATOM 2001 C GLY B 28 -20.663 -13.008 4.450 1.00 1.35 C ATOM 2002 O GLY B 28 -19.795 -12.821 5.301 1.00 1.58 O ATOM 0 H GLY B 28 -22.444 -10.583 3.111 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.246 -11.961 5.424 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.694 -12.676 3.888 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.589 -13.974 3.534 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.456 -14.896 3.478 1.00 1.06 C ATOM 2008 C ARG B 29 -18.134 -14.163 3.682 1.00 1.14 C ATOM 2009 O ARG B 29 -18.073 -12.936 3.599 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.433 -15.640 2.134 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.266 -16.613 1.982 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.358 -17.394 0.681 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.538 -18.256 0.640 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.056 -18.744 -0.483 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.505 -18.449 -1.653 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.127 -19.525 -0.438 1.00 4.30 N ATOM 0 H ARG B 29 -21.300 -14.138 2.821 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.579 -15.617 4.286 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.368 -16.189 2.018 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.391 -14.909 1.327 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.326 -16.063 2.011 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.256 -17.306 2.824 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.388 -16.698 -0.158 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -17.461 -18.001 0.559 1.00 2.36 H new ATOM 0 HE ARG B 29 -19.989 -18.497 1.523 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.683 -17.847 -1.692 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -19.904 -18.824 -2.514 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -21.555 -19.752 0.459 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -21.523 -19.898 -1.301 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.082 -14.921 3.943 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.766 -14.344 4.144 1.00 1.49 C ATOM 2032 C LYS B 30 -14.974 -14.418 2.849 1.00 1.34 C ATOM 2033 O LYS B 30 -13.895 -15.003 2.795 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.016 -15.091 5.245 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.813 -15.238 6.531 1.00 2.66 C ATOM 2036 CD LYS B 30 -16.174 -13.884 7.118 1.00 3.51 C ATOM 2037 CE LYS B 30 -16.925 -14.026 8.432 1.00 4.01 C ATOM 2038 NZ LYS B 30 -18.212 -14.755 8.261 1.00 4.78 N ATOM 0 H LYS B 30 -17.115 -15.938 4.020 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.883 -13.303 4.444 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.744 -16.082 4.880 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.086 -14.565 5.461 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.723 -15.805 6.334 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.233 -15.808 7.257 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -15.266 -13.302 7.278 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -16.786 -13.330 6.406 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -16.301 -14.556 9.151 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -17.120 -13.037 8.847 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -18.770 -14.684 9.136 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -18.747 -14.335 7.474 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -18.019 -15.756 8.053 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.542 -13.846 1.796 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.873 -13.810 0.511 1.00 0.88 C ATOM 2054 C GLY B 31 -14.302 -12.455 0.258 1.00 0.81 C ATOM 2055 O GLY B 31 -13.096 -12.305 0.187 1.00 0.85 O ATOM 0 H GLY B 31 -16.461 -13.403 1.810 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.079 -14.556 0.487 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.577 -14.068 -0.280 1.00 0.88 H new ATOM 2059 N SER B 32 -15.147 -11.457 0.093 1.00 0.74 N ATOM 2060 CA SER B 32 -14.626 -10.131 -0.139 1.00 0.71 C ATOM 2061 C SER B 32 -15.450 -9.007 0.458 1.00 0.70 C ATOM 2062 O SER B 32 -16.514 -9.205 1.046 1.00 0.75 O ATOM 2063 CB SER B 32 -14.378 -9.908 -1.629 1.00 0.69 C ATOM 2064 OG SER B 32 -14.851 -8.647 -2.078 1.00 1.09 O ATOM 0 H SER B 32 -16.164 -11.535 0.114 1.00 0.74 H new ATOM 0 HA SER B 32 -13.679 -10.091 0.399 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.310 -9.984 -1.831 1.00 0.69 H new ATOM 0 HB3 SER B 32 -14.867 -10.699 -2.197 1.00 0.69 H new ATOM 0 HG SER B 32 -15.718 -8.762 -2.521 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.900 -7.818 0.273 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.496 -6.578 0.701 1.00 0.74 C ATOM 2072 C LEU B 33 -16.215 -6.000 -0.480 1.00 0.57 C ATOM 2073 O LEU B 33 -15.838 -6.283 -1.618 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.417 -5.598 1.125 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.844 -4.147 1.285 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -14.074 -3.521 2.428 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.604 -3.386 -0.019 1.00 1.69 C ATOM 0 H LEU B 33 -14.001 -7.693 -0.193 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.168 -6.756 1.541 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.001 -5.938 2.073 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.612 -5.638 0.391 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.909 -4.099 1.513 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.378 -2.481 2.545 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.283 -4.066 3.349 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -13.006 -3.565 2.214 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.912 -2.348 0.104 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.544 -3.422 -0.272 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -15.184 -3.845 -0.820 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.237 -5.200 -0.255 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.942 -4.654 -1.379 1.00 0.47 C ATOM 2091 C ASN B 34 -17.845 -3.137 -1.377 1.00 0.41 C ATOM 2092 O ASN B 34 -16.744 -2.590 -1.414 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.380 -5.185 -1.370 1.00 0.56 C ATOM 2094 CG ASN B 34 -20.110 -4.935 -2.677 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -19.496 -4.872 -3.742 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -21.427 -4.793 -2.601 1.00 2.12 N ATOM 0 H ASN B 34 -17.583 -4.925 0.664 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.488 -4.975 -2.316 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.365 -6.256 -1.167 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.931 -4.714 -0.556 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -21.971 -4.624 -3.447 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.895 -4.853 -1.697 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.968 -2.463 -1.375 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.968 -1.017 -1.354 1.00 0.54 C ATOM 2105 C ILE B 35 -20.081 -0.476 -0.476 1.00 0.56 C ATOM 2106 O ILE B 35 -20.680 0.551 -0.778 1.00 0.63 O ATOM 2107 CB ILE B 35 -19.046 -0.398 -2.760 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.768 -1.327 -3.741 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.638 -0.088 -3.248 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -21.127 -1.778 -3.263 1.00 1.04 C ATOM 0 H ILE B 35 -19.894 -2.890 -1.388 1.00 0.53 H new ATOM 0 HA ILE B 35 -18.010 -0.723 -0.926 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.624 0.525 -2.706 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.881 -0.815 -4.697 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.147 -2.204 -3.921 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.687 0.351 -4.244 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -17.163 0.615 -2.564 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -17.055 -1.008 -3.285 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.577 -2.432 -4.010 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -21.021 -2.319 -2.323 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.766 -0.908 -3.111 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.365 -1.192 0.606 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.383 -0.762 1.546 1.00 0.63 C ATOM 2124 C ASN B 36 -20.777 0.273 2.457 1.00 0.59 C ATOM 2125 O ASN B 36 -21.169 1.439 2.421 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.939 -1.934 2.348 1.00 0.70 C ATOM 2127 CG ASN B 36 -23.163 -1.547 3.156 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.053 -1.004 4.256 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.343 -1.828 2.614 1.00 1.90 N ATOM 0 H ASN B 36 -19.905 -2.069 0.850 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.222 -0.333 0.998 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -22.196 -2.747 1.669 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -21.167 -2.311 3.019 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -25.202 -1.593 3.112 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.390 -2.279 1.700 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.822 -0.131 3.289 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.183 0.869 4.126 1.00 0.56 C ATOM 2138 C GLU B 37 -18.206 1.692 3.297 1.00 0.50 C ATOM 2139 O GLU B 37 -17.800 2.776 3.713 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.514 0.285 5.366 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.503 -0.220 6.396 1.00 0.76 C ATOM 2142 CD GLU B 37 -18.825 -0.793 7.623 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -18.557 -0.022 8.569 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.560 -2.013 7.640 1.00 1.28 O ATOM 0 H GLU B 37 -19.490 -1.089 3.398 1.00 0.58 H new ATOM 0 HA GLU B 37 -19.970 1.522 4.504 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.861 -0.535 5.066 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -17.881 1.046 5.822 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.158 0.598 6.696 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -20.134 -0.985 5.944 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.824 1.191 2.108 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.956 1.955 1.225 1.00 0.43 C ATOM 2153 C PHE B 38 -17.608 3.316 1.013 1.00 0.45 C ATOM 2154 O PHE B 38 -16.950 4.328 0.839 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.789 1.241 -0.124 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.661 1.755 -0.969 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.619 3.070 -1.397 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.636 0.907 -1.334 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -14.570 3.528 -2.172 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -13.583 1.354 -2.108 1.00 1.32 C ATOM 2161 CZ PHE B 38 -13.549 2.669 -2.527 1.00 0.46 C ATOM 0 H PHE B 38 -18.102 0.277 1.751 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.966 2.060 1.669 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.632 0.178 0.060 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.718 1.334 -0.686 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.415 3.746 -1.122 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.657 -0.123 -1.009 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -14.549 4.557 -2.500 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.789 0.677 -2.385 1.00 1.32 H new ATOM 0 HZ PHE B 38 -12.727 3.025 -3.130 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.934 3.320 1.070 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.693 4.543 0.898 1.00 0.53 C ATOM 2173 C LYS B 39 -19.268 5.595 1.907 1.00 0.54 C ATOM 2174 O LYS B 39 -19.541 6.780 1.736 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.185 4.251 1.005 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.602 3.085 0.143 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.449 3.516 -1.043 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.759 4.146 -0.595 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.618 4.526 -1.751 1.00 1.82 N ATOM 0 H LYS B 39 -19.502 2.489 1.234 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.489 4.942 -0.096 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.439 4.041 2.044 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.749 5.137 0.712 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.713 2.567 -0.218 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.163 2.372 0.747 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.891 4.229 -1.650 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.657 2.653 -1.675 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -24.298 3.446 0.043 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.549 5.030 0.007 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.501 4.952 -1.403 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.114 5.213 -2.347 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.840 3.679 -2.312 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.630 5.153 2.978 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.133 6.069 3.982 1.00 0.57 C ATOM 2195 C GLU B 40 -16.782 6.639 3.543 1.00 0.55 C ATOM 2196 O GLU B 40 -16.212 7.489 4.227 1.00 0.61 O ATOM 2197 CB GLU B 40 -17.999 5.372 5.344 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.762 4.493 5.486 1.00 1.09 C ATOM 2199 CD GLU B 40 -15.893 4.905 6.658 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -15.044 5.805 6.481 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -16.061 4.328 7.753 1.00 2.42 O ATOM 0 H GLU B 40 -18.446 4.168 3.171 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.848 6.885 4.089 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -17.981 6.131 6.126 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -18.885 4.760 5.513 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -17.070 3.455 5.612 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.177 4.543 4.568 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.272 6.178 2.390 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.988 6.627 1.916 1.00 0.50 C ATOM 2210 C LEU B 41 -15.099 8.010 1.338 1.00 0.55 C ATOM 2211 O LEU B 41 -14.975 8.971 2.061 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.394 5.668 0.876 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.173 4.228 1.321 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.077 3.579 0.489 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.838 4.143 2.806 1.00 0.66 C ATOM 0 H LEU B 41 -16.737 5.501 1.786 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.313 6.646 2.772 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.052 5.658 0.007 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.437 6.073 0.547 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.105 3.685 1.163 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.931 2.550 0.819 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.366 3.585 -0.562 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.148 4.136 0.613 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.687 3.100 3.086 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.928 4.708 3.007 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.659 4.560 3.389 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.388 8.107 0.043 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.486 9.406 -0.632 1.00 0.62 C ATOM 2229 C ALA B 42 -16.160 10.428 0.259 1.00 0.68 C ATOM 2230 O ALA B 42 -15.747 11.574 0.346 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.263 9.265 -1.908 1.00 0.65 C ATOM 0 H ALA B 42 -15.559 7.304 -0.563 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.476 9.749 -0.855 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.330 10.234 -2.402 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.758 8.557 -2.565 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.266 8.901 -1.685 1.00 0.65 H new ATOM 2237 N THR B 43 -17.189 9.964 0.934 1.00 0.65 N ATOM 2238 CA THR B 43 -17.949 10.782 1.858 1.00 0.73 C ATOM 2239 C THR B 43 -17.035 11.485 2.866 1.00 0.78 C ATOM 2240 O THR B 43 -16.936 12.710 2.884 1.00 0.85 O ATOM 2241 CB THR B 43 -18.981 9.931 2.613 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.444 8.620 2.862 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.272 9.825 1.817 1.00 0.76 C ATOM 0 H THR B 43 -17.525 9.004 0.858 1.00 0.65 H new ATOM 0 HA THR B 43 -18.465 11.540 1.269 1.00 0.73 H new ATOM 0 HB THR B 43 -19.203 10.414 3.565 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.686 8.022 2.124 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.991 9.218 2.368 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.684 10.821 1.658 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.068 9.359 0.853 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.386 10.694 3.716 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.456 11.214 4.723 1.00 0.84 C ATOM 2253 C GLN B 44 -14.141 11.590 4.059 1.00 0.83 C ATOM 2254 O GLN B 44 -13.477 12.554 4.439 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.223 10.142 5.787 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.459 9.835 6.617 1.00 1.54 C ATOM 2257 CD GLN B 44 -16.977 11.051 7.362 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -16.209 11.940 7.730 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -18.285 11.096 7.587 1.00 2.74 N ATOM 0 H GLN B 44 -16.487 9.679 3.729 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.877 12.103 5.193 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.884 9.227 5.302 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.421 10.467 6.450 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.244 9.451 5.965 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -16.225 9.047 7.333 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -18.884 10.337 7.264 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -18.690 11.890 8.083 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.790 10.800 3.067 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.599 10.996 2.279 1.00 0.82 C ATOM 2270 C GLN B 45 -12.637 12.382 1.681 1.00 0.78 C ATOM 2271 O GLN B 45 -11.601 13.025 1.510 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.571 9.958 1.172 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.237 8.570 1.657 1.00 0.95 C ATOM 2274 CD GLN B 45 -10.762 8.302 1.548 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -9.983 8.720 2.402 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.372 7.596 0.497 1.00 1.45 N ATOM 0 H GLN B 45 -14.338 9.988 2.783 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.708 10.891 2.898 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.543 9.938 0.679 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.839 10.258 0.422 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.555 8.457 2.693 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.788 7.834 1.072 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.059 7.272 -0.184 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -9.384 7.376 0.368 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.857 12.843 1.350 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.040 14.184 0.799 1.00 0.78 C ATOM 2287 C LEU B 46 -13.208 15.138 1.638 1.00 0.74 C ATOM 2288 O LEU B 46 -12.102 15.474 1.225 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.518 14.623 0.758 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.306 14.301 -0.525 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.550 15.171 -0.611 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.442 14.492 -1.764 1.00 1.30 C ATOM 0 H LEU B 46 -14.719 12.307 1.456 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.712 14.190 -0.240 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.033 14.158 1.598 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.556 15.701 0.918 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.607 13.254 -0.482 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.098 14.933 -1.523 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.186 14.983 0.254 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.259 16.221 -0.626 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.026 14.257 -2.654 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.103 15.527 -1.815 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.578 13.829 -1.711 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.662 15.573 2.839 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.804 16.424 3.627 1.00 0.80 C ATOM 2306 C PRO B 47 -11.792 15.622 4.404 1.00 0.77 C ATOM 2307 O PRO B 47 -12.043 15.153 5.513 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.763 17.065 4.611 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.859 16.065 4.781 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.964 15.323 3.476 1.00 0.90 C ATOM 0 HA PRO B 47 -12.246 17.126 3.007 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.272 17.279 5.560 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.147 18.012 4.230 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.637 15.381 5.600 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.800 16.558 5.024 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -15.138 14.258 3.632 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.788 15.695 2.867 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.655 15.471 3.786 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.512 14.842 4.377 1.00 0.75 C ATOM 2320 C HIS B 48 -8.573 15.933 4.864 1.00 0.83 C ATOM 2321 O HIS B 48 -8.876 17.114 4.697 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.849 13.960 3.345 1.00 0.73 C ATOM 2323 CG HIS B 48 -7.656 13.225 3.878 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -7.773 12.206 4.803 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -6.326 13.405 3.689 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -6.572 11.797 5.163 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -5.674 12.506 4.503 1.00 1.59 N ATOM 0 H HIS B 48 -10.495 15.791 2.831 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.794 14.216 5.223 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.576 13.238 2.972 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.542 14.571 2.496 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -8.653 11.828 5.154 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -5.864 14.120 3.024 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -6.359 11.015 5.877 1.00 2.02 H new ATOM 2336 N LEU B 49 -7.442 15.579 5.450 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.486 16.599 5.802 1.00 1.00 C ATOM 2338 C LEU B 49 -5.946 17.180 4.489 1.00 0.98 C ATOM 2339 O LEU B 49 -6.370 18.253 4.057 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.360 16.029 6.677 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.299 17.038 7.127 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.433 16.445 8.226 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -3.438 17.475 5.952 1.00 2.44 C ATOM 0 H LEU B 49 -7.174 14.623 5.684 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.958 17.382 6.395 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -5.806 15.577 7.563 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.865 15.229 6.126 1.00 1.10 H new ATOM 0 HG LEU B 49 -4.810 17.916 7.523 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -2.685 17.175 8.534 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.058 16.184 9.080 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -2.935 15.550 7.854 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -2.691 18.191 6.295 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -2.938 16.606 5.524 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -4.067 17.941 5.194 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.010 16.466 3.861 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.456 16.877 2.568 1.00 1.01 C ATOM 2357 C LEU B 50 -5.349 16.370 1.428 1.00 0.92 C ATOM 2358 O LEU B 50 -4.863 15.766 0.472 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.033 16.339 2.391 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.921 14.818 2.254 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -1.795 14.454 1.301 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -2.693 14.174 3.614 1.00 2.24 C ATOM 0 H LEU B 50 -4.618 15.598 4.227 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.421 17.966 2.541 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.595 16.800 1.506 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -2.434 16.656 3.245 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.858 14.439 1.846 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -1.728 13.370 1.214 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -1.995 14.885 0.320 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -0.853 14.846 1.684 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -2.616 13.093 3.496 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.770 14.558 4.048 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -3.529 14.409 4.272 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.648 16.631 1.528 1.00 0.85 N ATOM 2375 CA LYS B 51 -7.615 16.163 0.545 1.00 0.80 C ATOM 2376 C LYS B 51 -7.122 16.244 -0.894 1.00 0.89 C ATOM 2377 O LYS B 51 -6.263 17.051 -1.249 1.00 1.04 O ATOM 2378 CB LYS B 51 -8.926 16.931 0.704 1.00 0.95 C ATOM 2379 CG LYS B 51 -9.914 16.793 -0.450 1.00 1.24 C ATOM 2380 CD LYS B 51 -10.980 17.881 -0.422 1.00 2.12 C ATOM 2381 CE LYS B 51 -11.621 18.032 0.946 1.00 2.68 C ATOM 2382 NZ LYS B 51 -11.755 19.462 1.343 1.00 3.58 N ATOM 0 H LYS B 51 -7.058 17.171 2.290 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.772 15.103 0.745 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.414 16.596 1.619 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -8.694 17.988 0.836 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -9.375 16.838 -1.396 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.393 15.815 -0.402 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -10.533 18.830 -0.717 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -11.751 17.649 -1.157 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.605 17.564 0.939 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.022 17.504 1.688 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -12.197 19.521 2.283 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -10.814 19.903 1.375 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -12.348 19.961 0.649 1.00 3.58 H new ATOM 2396 N ASP B 52 -7.709 15.370 -1.703 1.00 0.92 N ATOM 2397 CA ASP B 52 -7.432 15.283 -3.130 1.00 1.17 C ATOM 2398 C ASP B 52 -8.686 15.654 -3.934 1.00 1.24 C ATOM 2399 O ASP B 52 -8.615 15.845 -5.146 1.00 1.47 O ATOM 2400 CB ASP B 52 -6.974 13.869 -3.496 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.732 13.707 -4.983 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -7.701 13.418 -5.714 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -5.571 13.870 -5.416 1.00 2.61 O ATOM 0 H ASP B 52 -8.400 14.693 -1.381 1.00 0.92 H new ATOM 0 HA ASP B 52 -6.634 15.984 -3.375 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -6.058 13.635 -2.954 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -7.728 13.151 -3.173 1.00 1.29 H new ATOM 2408 N VAL B 53 -9.836 15.674 -3.239 1.00 1.14 N ATOM 2409 CA VAL B 53 -11.130 16.045 -3.804 1.00 1.27 C ATOM 2410 C VAL B 53 -11.524 15.131 -4.937 1.00 1.24 C ATOM 2411 O VAL B 53 -11.570 15.522 -6.103 1.00 1.46 O ATOM 2412 CB VAL B 53 -11.227 17.531 -4.231 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -10.181 17.911 -5.266 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -12.625 17.839 -4.747 1.00 1.92 C ATOM 0 H VAL B 53 -9.885 15.427 -2.251 1.00 1.14 H new ATOM 0 HA VAL B 53 -11.845 15.919 -2.991 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.027 18.134 -3.345 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -10.295 18.963 -5.529 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -9.185 17.746 -4.855 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -10.312 17.298 -6.158 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -12.681 18.886 -5.044 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.843 17.206 -5.607 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.354 17.646 -3.960 1.00 1.92 H new ATOM 2424 N GLY B 54 -11.800 13.894 -4.565 1.00 1.06 N ATOM 2425 CA GLY B 54 -12.213 12.910 -5.525 1.00 1.09 C ATOM 2426 C GLY B 54 -13.509 13.295 -6.193 1.00 1.13 C ATOM 2427 O GLY B 54 -14.100 14.332 -5.893 1.00 1.23 O ATOM 0 H GLY B 54 -11.743 13.556 -3.604 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -11.436 12.789 -6.280 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -12.330 11.946 -5.031 1.00 1.09 H new ATOM 2431 N SER B 55 -13.941 12.455 -7.101 1.00 1.16 N ATOM 2432 CA SER B 55 -15.159 12.673 -7.857 1.00 1.24 C ATOM 2433 C SER B 55 -16.404 12.260 -7.078 1.00 1.10 C ATOM 2434 O SER B 55 -16.348 11.392 -6.209 1.00 1.09 O ATOM 2435 CB SER B 55 -15.043 11.859 -9.117 1.00 1.40 C ATOM 2436 OG SER B 55 -14.639 12.658 -10.217 1.00 1.62 O ATOM 0 H SER B 55 -13.455 11.591 -7.342 1.00 1.16 H new ATOM 0 HA SER B 55 -15.271 13.736 -8.072 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.323 11.054 -8.967 1.00 1.40 H new ATOM 0 HB3 SER B 55 -16.002 11.391 -9.339 1.00 1.40 H new ATOM 0 HG SER B 55 -14.571 12.100 -11.020 1.00 1.62 H new ATOM 2442 N LEU B 56 -17.531 12.884 -7.401 1.00 1.15 N ATOM 2443 CA LEU B 56 -18.789 12.569 -6.741 1.00 1.10 C ATOM 2444 C LEU B 56 -19.408 11.310 -7.340 1.00 0.98 C ATOM 2445 O LEU B 56 -19.445 10.260 -6.700 1.00 0.97 O ATOM 2446 CB LEU B 56 -19.763 13.743 -6.852 1.00 1.28 C ATOM 2447 CG LEU B 56 -19.265 15.055 -6.241 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -20.315 16.145 -6.390 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -18.904 14.856 -4.777 1.00 2.83 C ATOM 0 H LEU B 56 -17.598 13.610 -8.115 1.00 1.15 H new ATOM 0 HA LEU B 56 -18.585 12.387 -5.686 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -19.987 13.912 -7.905 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -20.699 13.466 -6.368 1.00 1.28 H new ATOM 0 HG LEU B 56 -18.369 15.367 -6.777 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -19.944 17.071 -5.950 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -20.526 16.305 -7.447 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -21.229 15.842 -5.880 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -18.552 15.798 -4.358 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -19.784 14.521 -4.228 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -18.117 14.106 -4.695 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.890 11.415 -8.575 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.498 10.272 -9.251 1.00 1.01 C ATOM 2463 C ASP B 57 -19.581 9.076 -9.201 1.00 0.95 C ATOM 2464 O ASP B 57 -20.017 7.931 -9.084 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.813 10.583 -10.706 1.00 1.15 C ATOM 2466 CG ASP B 57 -19.799 11.512 -11.343 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -18.764 11.015 -11.836 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -20.038 12.738 -11.349 1.00 2.19 O ATOM 0 H ASP B 57 -19.872 12.274 -9.126 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.428 10.051 -8.727 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -20.851 9.652 -11.271 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -21.803 11.035 -10.770 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.305 9.366 -9.293 1.00 0.94 N ATOM 2474 CA GLU B 58 -17.274 8.342 -9.248 1.00 0.95 C ATOM 2475 C GLU B 58 -17.502 7.459 -8.036 1.00 0.87 C ATOM 2476 O GLU B 58 -17.113 6.293 -8.014 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.885 8.975 -9.180 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.768 7.961 -9.003 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.392 8.599 -9.001 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.840 8.820 -10.099 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -12.868 8.875 -7.902 1.00 2.29 O ATOM 0 H GLU B 58 -17.947 10.315 -9.401 1.00 0.94 H new ATOM 0 HA GLU B 58 -17.329 7.742 -10.156 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.708 9.544 -10.093 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.857 9.684 -8.352 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.916 7.424 -8.066 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.821 7.225 -9.805 1.00 1.44 H new ATOM 2488 N LYS B 59 -18.143 8.039 -7.027 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.457 7.319 -5.817 1.00 0.76 C ATOM 2490 C LYS B 59 -19.483 6.236 -6.099 1.00 0.80 C ATOM 2491 O LYS B 59 -19.441 5.161 -5.506 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.963 8.286 -4.747 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.980 9.408 -4.470 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.524 10.456 -3.510 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.942 10.885 -3.863 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.464 11.908 -2.917 1.00 2.67 N ATOM 0 H LYS B 59 -18.453 9.011 -7.032 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.552 6.839 -5.445 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.915 8.711 -5.066 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.152 7.737 -3.825 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.064 8.986 -4.057 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.713 9.890 -5.411 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -18.510 10.058 -2.495 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.870 11.328 -3.520 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.958 11.286 -4.876 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -20.598 10.014 -3.854 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -21.431 12.173 -3.192 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -20.473 11.517 -1.953 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -19.853 12.749 -2.944 1.00 2.67 H new ATOM 2510 N MET B 60 -20.400 6.523 -7.016 1.00 0.86 N ATOM 2511 CA MET B 60 -21.435 5.558 -7.383 1.00 0.92 C ATOM 2512 C MET B 60 -20.897 4.543 -8.378 1.00 0.96 C ATOM 2513 O MET B 60 -21.374 3.411 -8.453 1.00 1.01 O ATOM 2514 CB MET B 60 -22.658 6.274 -7.959 1.00 1.00 C ATOM 2515 CG MET B 60 -23.305 7.248 -6.988 1.00 1.01 C ATOM 2516 SD MET B 60 -24.737 8.088 -7.695 1.00 1.74 S ATOM 2517 CE MET B 60 -25.228 9.133 -6.326 1.00 2.31 C ATOM 0 H MET B 60 -20.450 7.410 -7.517 1.00 0.86 H new ATOM 0 HA MET B 60 -21.738 5.026 -6.481 1.00 0.92 H new ATOM 0 HB2 MET B 60 -22.363 6.813 -8.859 1.00 1.00 H new ATOM 0 HB3 MET B 60 -23.396 5.530 -8.261 1.00 1.00 H new ATOM 0 HG2 MET B 60 -23.611 6.711 -6.090 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.569 7.990 -6.680 1.00 1.01 H new ATOM 0 HE1 MET B 60 -26.104 9.717 -6.610 1.00 2.31 H new ATOM 0 HE2 MET B 60 -25.469 8.513 -5.463 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.410 9.807 -6.071 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.912 4.964 -9.149 1.00 0.97 N ATOM 2528 CA LYS B 61 -19.280 4.103 -10.131 1.00 1.02 C ATOM 2529 C LYS B 61 -18.245 3.227 -9.447 1.00 0.96 C ATOM 2530 O LYS B 61 -18.192 2.016 -9.664 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.650 4.956 -11.231 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.571 4.251 -12.032 1.00 1.55 C ATOM 2533 CD LYS B 61 -16.925 5.188 -13.042 1.00 2.08 C ATOM 2534 CE LYS B 61 -15.747 4.533 -13.741 1.00 2.60 C ATOM 2535 NZ LYS B 61 -14.576 4.380 -12.835 1.00 3.16 N ATOM 0 H LYS B 61 -19.529 5.909 -9.113 1.00 0.97 H new ATOM 0 HA LYS B 61 -20.024 3.453 -10.591 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -19.434 5.285 -11.912 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.223 5.852 -10.780 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -16.810 3.862 -11.356 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -18.002 3.396 -12.552 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -17.665 5.491 -13.783 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -16.591 6.094 -12.536 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -16.046 3.554 -14.115 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -15.460 5.131 -14.606 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -14.074 3.498 -13.062 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -13.932 5.187 -12.961 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -14.902 4.348 -11.848 1.00 3.16 H new ATOM 2549 N THR B 62 -17.427 3.855 -8.618 1.00 0.99 N ATOM 2550 CA THR B 62 -16.400 3.146 -7.885 1.00 0.96 C ATOM 2551 C THR B 62 -17.007 1.983 -7.109 1.00 0.87 C ATOM 2552 O THR B 62 -16.315 1.029 -6.759 1.00 0.84 O ATOM 2553 CB THR B 62 -15.651 4.083 -6.921 1.00 1.03 C ATOM 2554 OG1 THR B 62 -15.011 5.121 -7.661 1.00 1.13 O ATOM 2555 CG2 THR B 62 -14.620 3.321 -6.107 1.00 1.05 C ATOM 0 H THR B 62 -17.458 4.859 -8.438 1.00 0.99 H new ATOM 0 HA THR B 62 -15.684 2.759 -8.610 1.00 0.96 H new ATOM 0 HB THR B 62 -16.376 4.516 -6.232 1.00 1.03 H new ATOM 0 HG1 THR B 62 -15.662 5.548 -8.256 1.00 1.13 H new ATOM 0 HG21 THR B 62 -14.107 4.009 -5.435 1.00 1.05 H new ATOM 0 HG22 THR B 62 -15.117 2.547 -5.523 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.895 2.860 -6.778 1.00 1.05 H new ATOM 2563 N LEU B 63 -18.308 2.072 -6.840 1.00 0.86 N ATOM 2564 CA LEU B 63 -19.017 1.016 -6.132 1.00 0.83 C ATOM 2565 C LEU B 63 -18.710 -0.338 -6.760 1.00 0.80 C ATOM 2566 O LEU B 63 -18.315 -1.285 -6.082 1.00 0.89 O ATOM 2567 CB LEU B 63 -20.520 1.282 -6.184 1.00 0.95 C ATOM 2568 CG LEU B 63 -21.158 1.693 -4.858 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.715 3.087 -4.455 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -22.675 1.615 -4.948 1.00 1.41 C ATOM 0 H LEU B 63 -18.890 2.867 -7.103 1.00 0.86 H new ATOM 0 HA LEU B 63 -18.688 1.004 -5.093 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -20.708 2.067 -6.917 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -21.019 0.383 -6.545 1.00 0.95 H new ATOM 0 HG LEU B 63 -20.824 0.997 -4.089 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.182 3.358 -3.508 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.631 3.106 -4.343 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.013 3.800 -5.224 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -23.112 1.911 -3.994 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -23.028 2.285 -5.732 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -22.974 0.593 -5.182 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.892 -0.410 -8.070 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.633 -1.634 -8.813 1.00 0.81 C ATOM 2584 C ASP B 64 -17.136 -1.803 -9.072 1.00 0.81 C ATOM 2585 O ASP B 64 -16.582 -2.885 -8.876 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.403 -1.618 -10.135 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.042 -2.784 -11.037 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -19.612 -3.879 -10.848 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -18.190 -2.602 -11.932 1.00 2.05 O ATOM 0 H ASP B 64 -19.219 0.368 -8.642 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.973 -2.480 -8.216 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -20.473 -1.642 -9.928 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -19.200 -0.683 -10.658 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.488 -0.729 -9.513 1.00 0.81 N ATOM 2595 CA VAL B 65 -15.058 -0.763 -9.794 1.00 0.87 C ATOM 2596 C VAL B 65 -14.279 -1.226 -8.568 1.00 0.77 C ATOM 2597 O VAL B 65 -13.539 -2.209 -8.624 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.535 0.619 -10.230 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -13.042 0.564 -10.517 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -15.300 1.116 -11.447 1.00 1.07 C ATOM 0 H VAL B 65 -16.930 0.174 -9.683 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.909 -1.469 -10.611 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.696 1.322 -9.412 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.694 1.550 -10.823 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.510 0.254 -9.618 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.851 -0.152 -11.316 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.918 2.093 -11.742 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -15.172 0.413 -12.270 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -16.359 1.199 -11.202 1.00 1.07 H new ATOM 2610 N ASN B 66 -14.452 -0.509 -7.461 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.777 -0.843 -6.211 1.00 0.67 C ATOM 2612 C ASN B 66 -14.498 -1.945 -5.443 1.00 0.56 C ATOM 2613 O ASN B 66 -14.259 -2.129 -4.255 1.00 0.57 O ATOM 2614 CB ASN B 66 -13.658 0.378 -5.315 1.00 0.81 C ATOM 2615 CG ASN B 66 -12.451 1.242 -5.649 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.862 1.866 -4.766 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -12.075 1.286 -6.924 1.00 1.10 N ATOM 0 H ASN B 66 -15.057 0.310 -7.405 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.785 -1.202 -6.485 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -14.564 0.978 -5.405 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -13.591 0.055 -4.276 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -11.272 1.851 -7.200 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -12.590 0.754 -7.626 1.00 1.10 H new ATOM 2624 N GLN B 67 -15.397 -2.661 -6.102 1.00 0.63 N ATOM 2625 CA GLN B 67 -16.123 -3.754 -5.470 1.00 0.68 C ATOM 2626 C GLN B 67 -15.202 -4.592 -4.607 1.00 0.61 C ATOM 2627 O GLN B 67 -15.341 -4.661 -3.386 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.696 -4.659 -6.541 1.00 0.90 C ATOM 2629 CG GLN B 67 -17.467 -5.846 -5.990 1.00 0.74 C ATOM 2630 CD GLN B 67 -16.593 -7.076 -5.813 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -16.428 -7.868 -6.740 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -16.044 -7.257 -4.610 1.00 1.44 N ATOM 0 H GLN B 67 -15.642 -2.504 -7.079 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.910 -3.321 -4.852 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.356 -4.075 -7.183 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.883 -5.025 -7.168 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.907 -5.576 -5.030 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -18.291 -6.084 -6.663 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -16.206 -6.576 -3.868 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -15.463 -8.076 -4.433 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.254 -5.223 -5.279 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.290 -6.086 -4.636 1.00 0.62 C ATOM 2643 C ASP B 68 -12.143 -5.283 -4.044 1.00 0.59 C ATOM 2644 O ASP B 68 -11.129 -5.868 -3.673 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.733 -7.098 -5.643 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.806 -7.967 -6.263 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.336 -8.852 -5.560 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -14.116 -7.764 -7.457 1.00 1.58 O ATOM 0 H ASP B 68 -14.135 -5.148 -6.289 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.800 -6.612 -3.829 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.205 -6.563 -6.433 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.002 -7.734 -5.144 1.00 0.73 H new ATOM 2653 N SER B 69 -12.295 -3.947 -3.934 1.00 0.56 N ATOM 2654 CA SER B 69 -11.224 -3.105 -3.390 1.00 0.58 C ATOM 2655 C SER B 69 -10.615 -3.770 -2.175 1.00 0.62 C ATOM 2656 O SER B 69 -9.435 -3.613 -1.881 1.00 0.74 O ATOM 2657 CB SER B 69 -11.748 -1.726 -2.994 1.00 0.66 C ATOM 2658 OG SER B 69 -11.558 -0.781 -4.032 1.00 1.74 O ATOM 0 H SER B 69 -13.136 -3.440 -4.211 1.00 0.56 H new ATOM 0 HA SER B 69 -10.470 -2.981 -4.167 1.00 0.58 H new ATOM 0 HB2 SER B 69 -12.809 -1.794 -2.752 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.237 -1.386 -2.093 1.00 0.66 H new ATOM 0 HG SER B 69 -10.891 -0.119 -3.754 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.462 -4.500 -1.474 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.045 -5.263 -0.325 1.00 0.76 C ATOM 2666 C GLU B 70 -11.660 -6.632 -0.389 1.00 0.77 C ATOM 2667 O GLU B 70 -12.695 -6.847 -1.021 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.430 -4.610 0.988 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.307 -5.561 2.183 1.00 1.33 C ATOM 2670 CD GLU B 70 -9.880 -5.971 2.463 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -8.962 -5.337 1.912 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -9.680 -6.931 3.236 1.00 2.73 O ATOM 0 H GLU B 70 -12.456 -4.577 -1.689 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.957 -5.319 -0.355 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.795 -3.740 1.155 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.456 -4.248 0.921 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.722 -5.079 3.068 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -11.906 -6.452 1.995 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.978 -7.565 0.208 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.449 -8.899 0.228 1.00 0.83 C ATOM 2681 C LEU B 71 -11.020 -9.688 1.438 1.00 0.81 C ATOM 2682 O LEU B 71 -10.198 -9.262 2.249 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.039 -9.616 -1.012 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.556 -9.567 -1.273 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.129 -8.120 -1.532 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -8.791 -10.195 -0.130 1.00 1.25 C ATOM 0 H LEU B 71 -10.090 -7.415 0.687 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.535 -8.824 0.281 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.353 -10.657 -0.941 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.564 -9.182 -1.863 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.322 -10.150 -2.164 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.056 -8.086 -1.721 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.663 -7.733 -2.400 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.364 -7.510 -0.660 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -7.722 -10.149 -0.339 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -9.004 -9.653 0.792 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -9.094 -11.236 -0.018 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.618 -10.848 1.529 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.334 -11.820 2.544 1.00 0.80 C ATOM 2700 C ARG B 72 -10.632 -13.016 1.889 1.00 0.69 C ATOM 2701 O ARG B 72 -9.932 -13.778 2.553 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.644 -12.288 3.156 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.674 -11.188 3.329 1.00 1.00 C ATOM 2704 CD ARG B 72 -13.057 -9.945 3.935 1.00 1.06 C ATOM 2705 NE ARG B 72 -12.125 -10.273 5.010 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.235 -9.418 5.504 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.139 -8.194 5.005 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -10.437 -9.790 6.495 1.00 1.42 N ATOM 0 H ARG B 72 -12.340 -11.149 0.874 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.698 -11.388 3.317 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.067 -13.072 2.527 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -12.439 -12.735 4.129 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.114 -10.944 2.362 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -14.484 -11.542 3.967 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.535 -9.383 3.160 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -13.845 -9.299 4.321 1.00 1.06 H new ATOM 0 HE ARG B 72 -12.159 -11.213 5.405 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -11.749 -7.906 4.240 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -10.455 -7.540 5.386 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -10.506 -10.733 6.879 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -9.754 -9.134 6.874 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.823 -13.159 0.564 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.263 -14.263 -0.180 1.00 0.57 C ATOM 2724 C PHE B 73 -9.035 -13.903 -1.028 1.00 0.52 C ATOM 2725 O PHE B 73 -8.028 -13.462 -0.502 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.348 -14.958 -1.026 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.266 -14.080 -1.852 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -11.965 -12.759 -2.166 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -13.445 -14.618 -2.344 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -12.822 -12.008 -2.946 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -14.304 -13.867 -3.119 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.991 -12.563 -3.422 1.00 0.87 C ATOM 0 H PHE B 73 -11.368 -12.509 -0.002 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.891 -14.963 0.568 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.852 -15.654 -1.702 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -11.967 -15.553 -0.355 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -11.052 -12.316 -1.796 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -13.695 -15.644 -2.116 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.576 -10.984 -3.184 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -15.221 -14.303 -3.487 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.660 -11.974 -4.032 1.00 0.87 H new ATOM 2742 N SER B 74 -9.144 -14.000 -2.347 1.00 0.48 N ATOM 2743 CA SER B 74 -7.966 -13.813 -3.207 1.00 0.48 C ATOM 2744 C SER B 74 -7.980 -12.526 -3.985 1.00 0.42 C ATOM 2745 O SER B 74 -7.076 -12.256 -4.773 1.00 0.46 O ATOM 2746 CB SER B 74 -7.798 -14.970 -4.191 1.00 0.63 C ATOM 2747 OG SER B 74 -9.052 -15.446 -4.648 1.00 1.03 O ATOM 0 H SER B 74 -10.012 -14.202 -2.843 1.00 0.48 H new ATOM 0 HA SER B 74 -7.125 -13.779 -2.515 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.200 -14.643 -5.041 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.252 -15.782 -3.711 1.00 0.63 H new ATOM 0 HG SER B 74 -8.912 -16.184 -5.277 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.992 -11.734 -3.770 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.092 -10.464 -4.440 1.00 0.42 C ATOM 2755 C GLU B 75 -8.009 -9.504 -3.924 1.00 0.42 C ATOM 2756 O GLU B 75 -7.860 -8.414 -4.457 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.471 -9.881 -4.135 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.537 -10.119 -5.167 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.180 -9.586 -6.540 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.339 -8.666 -6.618 1.00 1.41 O ATOM 2761 OE2 GLU B 75 -11.744 -10.086 -7.536 1.00 1.60 O ATOM 0 H GLU B 75 -9.762 -11.944 -3.135 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.955 -10.597 -5.513 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.815 -10.294 -3.186 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.364 -8.805 -3.995 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.728 -11.190 -5.240 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.464 -9.652 -4.835 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.264 -9.912 -2.861 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.255 -9.050 -2.213 1.00 0.38 C ATOM 2770 C TYR B 76 -5.470 -8.183 -3.183 1.00 0.39 C ATOM 2771 O TYR B 76 -4.972 -7.126 -2.807 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.314 -9.843 -1.298 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.676 -9.802 0.180 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.445 -8.775 0.722 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.290 -10.831 1.025 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -6.817 -8.773 2.041 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -5.652 -10.835 2.357 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.420 -9.804 2.862 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.789 -9.807 4.187 1.00 0.54 O ATOM 0 H TYR B 76 -7.349 -10.837 -2.439 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.833 -8.365 -1.592 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.302 -10.882 -1.626 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.302 -9.458 -1.420 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.756 -7.959 0.086 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -4.696 -11.644 0.634 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.418 -7.967 2.434 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.336 -11.641 3.002 1.00 1.26 H new ATOM 0 HH TYR B 76 -6.428 -10.606 4.625 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.356 -8.612 -4.416 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.674 -7.811 -5.426 1.00 0.43 C ATOM 2791 C TRP B 77 -5.382 -6.467 -5.599 1.00 0.45 C ATOM 2792 O TRP B 77 -4.860 -5.565 -6.241 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.679 -8.549 -6.752 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.067 -8.820 -7.219 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.016 -7.895 -7.545 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.679 -10.100 -7.374 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.168 -8.525 -7.922 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.991 -9.882 -7.826 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.239 -11.409 -7.185 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.870 -10.930 -8.088 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.107 -12.448 -7.441 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.411 -12.206 -7.890 1.00 0.56 C ATOM 0 H TRP B 77 -5.721 -9.504 -4.752 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.647 -7.639 -5.102 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.151 -7.959 -7.501 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.138 -9.490 -6.648 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.877 -6.825 -7.510 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.024 -8.060 -8.226 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.234 -11.606 -6.843 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.876 -10.744 -8.434 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.776 -13.465 -7.293 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.068 -13.041 -8.084 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.598 -6.353 -5.065 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.346 -5.127 -5.146 1.00 0.47 C ATOM 2815 C ARG B 78 -6.756 -4.089 -4.199 1.00 0.49 C ATOM 2816 O ARG B 78 -6.659 -2.912 -4.545 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.828 -5.378 -4.866 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.567 -5.890 -6.076 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.441 -4.939 -7.253 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.546 -3.540 -6.848 1.00 1.49 N ATOM 2821 CZ ARG B 78 -9.085 -2.524 -7.574 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -8.471 -2.751 -8.728 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -9.242 -1.279 -7.147 1.00 2.83 N ATOM 0 H ARG B 78 -7.076 -7.107 -4.572 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.273 -4.732 -6.159 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.924 -6.099 -4.054 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.292 -4.452 -4.526 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.176 -6.868 -6.355 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.620 -6.026 -5.829 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -8.483 -5.101 -7.747 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -10.219 -5.163 -7.983 1.00 0.77 H new ATOM 0 HE ARG B 78 -9.998 -3.329 -5.958 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -8.351 -3.707 -9.062 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -8.119 -1.969 -9.281 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -9.716 -1.099 -6.262 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -8.889 -0.501 -7.703 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.353 -4.525 -3.002 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.727 -3.618 -2.053 1.00 0.45 C ATOM 2839 C LEU B 79 -4.467 -3.053 -2.671 1.00 0.46 C ATOM 2840 O LEU B 79 -4.045 -1.941 -2.355 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.333 -4.333 -0.763 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.163 -5.541 -0.360 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.736 -6.005 1.024 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.628 -5.197 -0.389 1.00 0.88 C ATOM 0 H LEU B 79 -6.450 -5.487 -2.676 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.447 -2.834 -1.817 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.295 -4.652 -0.856 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.372 -3.609 0.051 1.00 0.53 H new ATOM 0 HG LEU B 79 -5.997 -6.353 -1.068 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -6.329 -6.871 1.316 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.681 -6.277 1.007 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.892 -5.200 1.742 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.213 -6.070 -0.099 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.824 -4.381 0.307 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.910 -4.890 -1.396 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.871 -3.844 -3.557 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.649 -3.468 -4.237 1.00 0.48 C ATOM 2858 C ILE B 80 -2.658 -1.981 -4.636 1.00 0.48 C ATOM 2859 O ILE B 80 -1.742 -1.234 -4.292 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.411 -4.414 -5.456 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.927 -4.752 -5.564 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -2.910 -3.820 -6.771 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.623 -5.830 -6.580 1.00 1.16 C ATOM 0 H ILE B 80 -4.226 -4.763 -3.820 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.810 -3.589 -3.551 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.989 -5.321 -5.279 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.376 -3.850 -5.829 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.564 -5.072 -4.587 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.718 -4.521 -7.583 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -3.981 -3.630 -6.701 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.388 -2.884 -6.969 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.451 -6.017 -6.602 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.146 -6.746 -6.306 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.955 -5.505 -7.566 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.696 -1.564 -5.355 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.813 -0.174 -5.762 1.00 0.49 C ATOM 2877 C GLY B 81 -4.420 0.710 -4.680 1.00 0.43 C ATOM 2878 O GLY B 81 -4.403 1.936 -4.795 1.00 0.43 O ATOM 0 H GLY B 81 -4.460 -2.165 -5.664 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.826 0.207 -6.024 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.427 -0.114 -6.660 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.961 0.089 -3.630 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.597 0.813 -2.539 1.00 0.39 C ATOM 2884 C GLU B 82 -4.588 1.354 -1.561 1.00 0.33 C ATOM 2885 O GLU B 82 -4.554 2.550 -1.285 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.528 -0.106 -1.806 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.657 -0.627 -2.668 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.983 -0.581 -1.948 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.176 -1.378 -1.007 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -9.829 0.260 -2.320 1.00 1.39 O ATOM 0 H GLU B 82 -4.968 -0.925 -3.517 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.140 1.652 -2.974 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.960 -0.950 -1.414 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.948 0.421 -0.949 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.719 -0.035 -3.581 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -7.442 -1.653 -2.967 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.748 0.468 -1.027 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.724 0.890 -0.085 1.00 0.35 C ATOM 2899 C LEU B 83 -1.914 2.017 -0.701 1.00 0.34 C ATOM 2900 O LEU B 83 -1.180 2.722 -0.013 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.817 -0.275 0.314 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.460 -1.314 1.238 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.550 -2.079 0.506 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.406 -2.268 1.781 1.00 1.31 C ATOM 0 H LEU B 83 -3.759 -0.532 -1.230 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.208 1.245 0.824 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.478 -0.778 -0.592 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.931 0.127 0.806 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.916 -0.792 2.079 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.995 -2.812 1.179 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.318 -1.384 0.168 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.120 -2.591 -0.355 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.880 -2.999 2.436 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.920 -2.783 0.952 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.662 -1.705 2.345 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.018 2.145 -2.022 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.359 3.224 -2.713 1.00 0.37 C ATOM 2918 C ALA B 84 -2.152 4.525 -2.605 1.00 0.41 C ATOM 2919 O ALA B 84 -1.562 5.598 -2.533 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.149 2.871 -4.165 1.00 0.41 C ATOM 0 H ALA B 84 -2.550 1.515 -2.622 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.390 3.376 -2.237 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.650 3.697 -4.672 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.531 1.976 -4.236 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.114 2.685 -4.637 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.493 4.434 -2.602 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.349 5.631 -2.497 1.00 0.51 C ATOM 2928 C LYS B 85 -3.789 6.603 -1.498 1.00 0.50 C ATOM 2929 O LYS B 85 -3.618 7.787 -1.772 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.780 5.256 -2.103 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.771 5.285 -3.257 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.320 3.901 -3.584 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.889 3.195 -2.356 1.00 1.56 C ATOM 2934 NZ LYS B 85 -8.868 4.032 -1.615 1.00 2.69 N ATOM 0 H LYS B 85 -4.005 3.554 -2.670 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.370 6.103 -3.479 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.775 4.257 -1.668 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.123 5.940 -1.327 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.597 5.951 -3.007 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.284 5.698 -4.140 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.099 3.992 -4.341 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -6.526 3.291 -4.015 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.371 2.268 -2.666 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -7.072 2.922 -1.688 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -8.391 4.503 -0.820 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.265 4.750 -2.254 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.634 3.430 -1.252 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.493 6.074 -0.352 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.921 6.859 0.719 1.00 0.45 C ATOM 2950 C GLU B 86 -1.616 7.483 0.254 1.00 0.44 C ATOM 2951 O GLU B 86 -1.370 8.671 0.455 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.667 5.988 1.950 1.00 0.48 C ATOM 2953 CG GLU B 86 -1.897 4.722 1.641 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.724 3.821 2.845 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -0.922 4.166 3.737 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -2.387 2.764 2.893 1.00 2.60 O ATOM 0 H GLU B 86 -3.637 5.090 -0.124 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.626 7.645 0.990 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.116 6.569 2.689 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.623 5.722 2.402 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -2.415 4.172 0.855 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -0.915 4.988 1.250 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.785 6.659 -0.375 1.00 0.44 N ATOM 2964 CA VAL B 87 0.503 7.105 -0.877 1.00 0.46 C ATOM 2965 C VAL B 87 0.386 7.812 -2.231 1.00 0.46 C ATOM 2966 O VAL B 87 1.391 8.199 -2.826 1.00 0.54 O ATOM 2967 CB VAL B 87 1.484 5.927 -0.995 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.893 6.440 -1.215 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.418 5.055 0.249 1.00 0.81 C ATOM 0 H VAL B 87 -0.985 5.674 -0.548 1.00 0.44 H new ATOM 0 HA VAL B 87 0.885 7.825 -0.153 1.00 0.46 H new ATOM 0 HB VAL B 87 1.200 5.319 -1.854 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.579 5.597 -1.297 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.928 7.026 -2.133 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.188 7.067 -0.373 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.118 4.226 0.150 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.681 5.649 1.124 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.407 4.664 0.366 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.837 7.984 -2.719 1.00 0.49 N ATOM 2980 CA ARG B 88 -1.054 8.641 -4.002 1.00 0.51 C ATOM 2981 C ARG B 88 -0.987 10.154 -3.851 1.00 0.50 C ATOM 2982 O ARG B 88 -0.080 10.796 -4.376 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.396 8.205 -4.590 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.612 8.663 -6.023 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.898 8.094 -6.602 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.900 6.634 -6.602 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.963 5.898 -6.912 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -6.104 6.485 -7.242 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.883 4.575 -6.891 1.00 3.50 N ATOM 0 H ARG B 88 -1.689 7.679 -2.249 1.00 0.49 H new ATOM 0 HA ARG B 88 -0.262 8.343 -4.689 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.464 7.118 -4.551 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -3.200 8.597 -3.967 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.647 9.752 -6.057 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.767 8.352 -6.637 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -4.748 8.457 -6.024 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -4.028 8.457 -7.622 1.00 1.33 H new ATOM 0 HE ARG B 88 -3.037 6.151 -6.350 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -6.168 7.503 -7.259 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.919 5.919 -7.480 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -4.006 4.121 -6.637 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -5.699 4.011 -7.129 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.949 10.722 -3.140 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.965 12.162 -2.909 1.00 0.49 C ATOM 3005 C LYS B 89 -0.776 12.543 -2.051 1.00 0.48 C ATOM 3006 O LYS B 89 -0.190 13.614 -2.200 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.248 12.595 -2.208 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.486 11.917 -0.851 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.166 10.545 -0.941 1.00 1.55 C ATOM 3010 CE LYS B 89 -5.100 10.393 -2.139 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.758 9.058 -2.160 1.00 3.29 N ATOM 0 H LYS B 89 -2.725 10.214 -2.715 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.914 12.665 -3.875 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.222 13.675 -2.062 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -4.095 12.382 -2.861 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.529 11.802 -0.343 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -4.099 12.573 -0.233 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -3.398 9.773 -0.991 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -4.733 10.371 -0.027 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -5.861 11.173 -2.108 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -4.535 10.535 -3.061 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -6.506 9.051 -2.883 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.053 8.327 -2.384 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -6.176 8.862 -1.228 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.442 11.641 -1.147 1.00 0.47 N ATOM 3026 CA GLU B 90 0.673 11.824 -0.248 1.00 0.52 C ATOM 3027 C GLU B 90 1.975 11.964 -1.029 1.00 0.56 C ATOM 3028 O GLU B 90 2.981 12.428 -0.494 1.00 0.62 O ATOM 3029 CB GLU B 90 0.728 10.639 0.705 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.281 10.735 1.830 1.00 0.62 C ATOM 3031 CD GLU B 90 0.135 11.724 2.900 1.00 1.24 C ATOM 3032 OE1 GLU B 90 -0.152 12.926 2.740 1.00 1.93 O ATOM 3033 OE2 GLU B 90 0.754 11.296 3.897 1.00 1.93 O ATOM 0 H GLU B 90 -0.940 10.760 -1.018 1.00 0.47 H new ATOM 0 HA GLU B 90 0.540 12.741 0.325 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.552 9.721 0.144 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.730 10.567 1.128 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.248 11.031 1.422 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.413 9.751 2.281 1.00 0.62 H new ATOM 3040 N LYS B 91 1.949 11.561 -2.301 1.00 0.54 N ATOM 3041 CA LYS B 91 3.124 11.665 -3.151 1.00 0.61 C ATOM 3042 C LYS B 91 3.663 13.086 -3.125 1.00 0.63 C ATOM 3043 O LYS B 91 4.854 13.313 -2.915 1.00 0.70 O ATOM 3044 CB LYS B 91 2.792 11.240 -4.587 1.00 0.62 C ATOM 3045 CG LYS B 91 2.048 12.291 -5.397 1.00 0.61 C ATOM 3046 CD LYS B 91 1.745 11.792 -6.800 1.00 0.67 C ATOM 3047 CE LYS B 91 1.160 12.891 -7.671 1.00 0.70 C ATOM 3048 NZ LYS B 91 0.911 12.419 -9.060 1.00 1.38 N ATOM 0 H LYS B 91 1.129 11.162 -2.758 1.00 0.54 H new ATOM 0 HA LYS B 91 3.892 10.993 -2.768 1.00 0.61 H new ATOM 0 HB2 LYS B 91 3.719 10.991 -5.103 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.191 10.331 -4.554 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.118 12.551 -4.892 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.646 13.201 -5.453 1.00 0.61 H new ATOM 0 HD2 LYS B 91 2.659 11.413 -7.257 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.045 10.958 -6.747 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.226 13.243 -7.234 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.843 13.741 -7.692 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.512 13.196 -9.624 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.807 12.106 -9.486 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.240 11.625 -9.042 1.00 1.38 H new ATOM 3062 N ALA B 92 2.768 14.038 -3.341 1.00 0.60 N ATOM 3063 CA ALA B 92 3.137 15.448 -3.346 1.00 0.65 C ATOM 3064 C ALA B 92 3.225 16.023 -1.939 1.00 0.63 C ATOM 3065 O ALA B 92 3.814 17.081 -1.741 1.00 0.69 O ATOM 3066 CB ALA B 92 2.163 16.243 -4.195 1.00 0.73 C ATOM 0 H ALA B 92 1.779 13.861 -3.516 1.00 0.60 H new ATOM 0 HA ALA B 92 4.132 15.526 -3.783 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.450 17.294 -4.190 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.181 15.867 -5.218 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.157 16.140 -3.788 1.00 0.73 H new ATOM 3072 N LEU B 93 2.609 15.365 -0.965 1.00 0.62 N ATOM 3073 CA LEU B 93 2.691 15.851 0.403 1.00 0.65 C ATOM 3074 C LEU B 93 3.990 15.393 1.045 1.00 0.59 C ATOM 3075 O LEU B 93 4.507 16.039 1.957 1.00 0.63 O ATOM 3076 CB LEU B 93 1.508 15.399 1.251 1.00 0.74 C ATOM 3077 CG LEU B 93 1.283 16.265 2.492 1.00 0.81 C ATOM 3078 CD1 LEU B 93 0.243 17.337 2.212 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.876 15.415 3.687 1.00 0.95 C ATOM 0 H LEU B 93 2.060 14.515 -1.092 1.00 0.62 H new ATOM 0 HA LEU B 93 2.665 16.940 0.359 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.606 15.413 0.639 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.667 14.366 1.562 1.00 0.74 H new ATOM 0 HG LEU B 93 2.225 16.755 2.738 1.00 0.81 H new ATOM 0 HD11 LEU B 93 0.096 17.943 3.106 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.586 17.972 1.395 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.700 16.866 1.934 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.723 16.057 4.555 1.00 0.95 H new ATOM 0 HD22 LEU B 93 -0.049 14.886 3.459 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.663 14.693 3.904 1.00 0.95 H new ATOM 3091 N GLY B 94 4.519 14.265 0.563 1.00 0.53 N ATOM 3092 CA GLY B 94 5.767 13.742 1.095 1.00 0.51 C ATOM 3093 C GLY B 94 6.801 14.828 1.270 1.00 0.52 C ATOM 3094 O GLY B 94 7.593 14.802 2.212 1.00 0.57 O ATOM 0 H GLY B 94 4.105 13.708 -0.184 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.580 13.261 2.055 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.155 12.975 0.424 1.00 0.51 H new ATOM 3098 N ILE B 95 6.795 15.785 0.348 1.00 0.53 N ATOM 3099 CA ILE B 95 7.733 16.894 0.406 1.00 0.57 C ATOM 3100 C ILE B 95 7.445 17.801 1.585 1.00 0.60 C ATOM 3101 O ILE B 95 7.109 18.969 1.411 1.00 0.67 O ATOM 3102 CB ILE B 95 7.723 17.742 -0.873 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.301 17.958 -1.373 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.564 17.082 -1.931 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.184 19.058 -2.405 1.00 1.68 C ATOM 0 H ILE B 95 6.153 15.813 -0.444 1.00 0.53 H new ATOM 0 HA ILE B 95 8.718 16.440 0.517 1.00 0.57 H new ATOM 0 HB ILE B 95 8.147 18.720 -0.645 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.930 17.027 -1.802 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.659 18.196 -0.525 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.552 17.689 -2.836 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.589 16.984 -1.573 1.00 1.13 H new ATOM 0 HG23 ILE B 95 8.161 16.094 -2.152 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.144 19.156 -2.716 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.524 19.999 -1.973 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.800 18.812 -3.270 1.00 1.68 H new ATOM 3117 N ARG B 96 7.561 17.259 2.782 1.00 0.64 N ATOM 3118 CA ARG B 96 7.346 18.050 3.973 1.00 0.74 C ATOM 3119 C ARG B 96 8.451 19.100 4.077 1.00 0.82 C ATOM 3120 O ARG B 96 8.325 20.077 4.816 1.00 0.93 O ATOM 3121 CB ARG B 96 7.321 17.159 5.213 1.00 0.84 C ATOM 3122 CG ARG B 96 6.414 15.944 5.071 1.00 1.65 C ATOM 3123 CD ARG B 96 4.944 16.337 5.050 1.00 2.45 C ATOM 3124 NE ARG B 96 4.523 16.940 6.310 1.00 2.91 N ATOM 3125 CZ ARG B 96 3.318 17.465 6.510 1.00 3.85 C ATOM 3126 NH1 ARG B 96 2.419 17.459 5.535 1.00 4.47 N ATOM 3127 NH2 ARG B 96 3.012 17.994 7.686 1.00 4.48 N ATOM 0 H ARG B 96 7.801 16.282 2.953 1.00 0.64 H new ATOM 0 HA ARG B 96 6.380 18.551 3.909 1.00 0.74 H new ATOM 0 HB2 ARG B 96 8.335 16.822 5.429 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.992 17.750 6.068 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.661 15.411 4.153 1.00 1.65 H new ATOM 0 HG3 ARG B 96 6.595 15.257 5.897 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.768 17.039 4.235 1.00 2.45 H new ATOM 0 HD3 ARG B 96 4.336 15.455 4.848 1.00 2.45 H new ATOM 0 HE ARG B 96 5.191 16.960 7.081 1.00 2.91 H new ATOM 0 HH11 ARG B 96 2.651 17.051 4.629 1.00 4.47 H new ATOM 0 HH12 ARG B 96 1.495 17.862 5.691 1.00 4.47 H new ATOM 0 HH21 ARG B 96 3.701 17.998 8.438 1.00 4.48 H new ATOM 0 HH22 ARG B 96 2.087 18.397 7.839 1.00 4.48 H new ATOM 3141 N LYS B 97 9.540 18.891 3.321 1.00 0.82 N ATOM 3142 CA LYS B 97 10.648 19.833 3.310 1.00 0.94 C ATOM 3143 C LYS B 97 10.378 20.923 2.282 1.00 0.93 C ATOM 3144 O LYS B 97 10.864 20.862 1.153 1.00 0.98 O ATOM 3145 CB LYS B 97 11.987 19.143 2.981 1.00 1.07 C ATOM 3146 CG LYS B 97 11.968 17.621 3.057 1.00 1.00 C ATOM 3147 CD LYS B 97 11.628 17.132 4.454 1.00 1.56 C ATOM 3148 CE LYS B 97 11.312 15.644 4.459 1.00 1.83 C ATOM 3149 NZ LYS B 97 10.992 15.147 5.826 1.00 2.90 N ATOM 0 H LYS B 97 9.668 18.080 2.716 1.00 0.82 H new ATOM 0 HA LYS B 97 10.728 20.263 4.308 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.292 19.437 1.977 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.748 19.516 3.667 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.239 17.230 2.347 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.942 17.230 2.761 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.464 17.330 5.124 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.773 17.688 4.838 1.00 1.56 H new ATOM 0 HE2 LYS B 97 10.469 15.450 3.796 1.00 1.83 H new ATOM 0 HE3 LYS B 97 12.163 15.091 4.062 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 10.783 14.129 5.785 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.806 15.308 6.453 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.164 15.656 6.195 1.00 2.90 H new ATOM 3163 N LYS B 98 9.593 21.916 2.678 1.00 0.96 N ATOM 3164 CA LYS B 98 9.255 23.021 1.792 1.00 1.06 C ATOM 3165 C LYS B 98 9.894 24.320 2.268 1.00 1.21 C ATOM 3166 O LYS B 98 11.027 24.616 1.833 1.00 1.61 O ATOM 3167 CB LYS B 98 7.736 23.175 1.695 1.00 1.07 C ATOM 3168 CG LYS B 98 7.062 22.072 0.888 1.00 1.07 C ATOM 3169 CD LYS B 98 5.557 22.280 0.814 1.00 1.52 C ATOM 3170 CE LYS B 98 4.874 21.156 0.051 1.00 2.00 C ATOM 3171 NZ LYS B 98 3.401 21.360 -0.035 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.257 25.032 3.072 1.00 1.70 O ATOM 0 H LYS B 98 9.178 21.979 3.608 1.00 0.96 H new ATOM 0 HA LYS B 98 9.650 22.797 0.801 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.315 23.187 2.700 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.505 24.139 1.241 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.478 22.050 -0.119 1.00 1.07 H new ATOM 0 HG3 LYS B 98 7.275 21.104 1.342 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.147 22.338 1.822 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.344 23.232 0.328 1.00 1.52 H new ATOM 0 HE2 LYS B 98 5.291 21.093 -0.954 1.00 2.00 H new ATOM 0 HE3 LYS B 98 5.081 20.205 0.542 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.972 20.573 -0.562 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.999 21.395 0.923 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.203 22.255 -0.526 1.00 2.73 H new TER 3186 LYS B 98