USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 903 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 123 ASN : amide:sc= -7.53! C(o=-8.3!,f=-11!) USER MOD Set 1.2: B 126 GLN :FLIP amide:sc= -1.18 F(o=-12!,f=-8.3) USER MOD Set 1.3: B 155 GLN :FLIP amide:sc= 0.414 F(o=-15!,f=-8.3) USER MOD Set 2.1: B 121 ASN :FLIP amide:sc= -1.35 F(o=-5.6!,f=-2.7) USER MOD Set 2.2: B 152 ASN :FLIP amide:sc= -1.34 F(o=-4.6!,f=-2.7) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.615 K(o=-1.3,f=-7!) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -0.648 F(o=-3.3!,f=-1.3) USER MOD Set 4.1: A 23 ASN :FLIP amide:sc= -5.11! C(o=-14!,f=-12!) USER MOD Set 4.2: A 26 GLN : amide:sc= -5.88! C(o=-12!,f=-18!) USER MOD Set 4.3: A 55 GLN : amide:sc= -1.02 K(o=-12,f=-17!) USER MOD Set 5.1: A 18 HIS : no HE2:sc= -0.371 K(o=-1.8,f=-11!) USER MOD Set 5.2: B 110 GLN : amide:sc= -1.47 X(o=-1.8,f=-1.4) USER MOD Single : A 1 VAL N :NH3+ -178:sc= -0.671 (180deg=-0.683) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.208 F(o=-1.9!,f=-0.21) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.2!) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0357 (180deg=-0.235) USER MOD Single : A 9 GLN : amide:sc= -4.24! C(o=-4.2!,f=-6!) USER MOD Single : A 10 GLN : amide:sc=-0.00475 K(o=-0.0048,f=-0.87) USER MOD Single : A 11 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.54) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 21 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 28 ASN :FLIP amide:sc= -7.39! C(o=-10!,f=-7.4!) USER MOD Single : A 32 GLN :FLIP amide:sc= -4.31! C(o=-5.1!,f=-4.3!) USER MOD Single : A 33 SER OG : rot 140:sc= -0.489 USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= -0.171 (180deg=-1.57!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 107:sc= 1.18 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= -0.0684 (180deg=-0.41) USER MOD Single : A 52 ASN : amide:sc= -2.01 K(o=-2,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0164 (180deg=-0.166) USER MOD Single : B 103 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : B 104 LYS NZ :NH3+ -154:sc= 0.545 (180deg=0.0276) USER MOD Single : B 106 ASN : amide:sc=-0.000925 X(o=-0.00092,f=0) USER MOD Single : B 107 LYS NZ :NH3+ -127:sc= -0.752 (180deg=-2.45!) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 68:sc= 0.981 USER MOD Single : B 118 THR OG1 : rot -16:sc= 1.11 USER MOD Single : B 132 SER OG : rot 15:sc= 0.184 USER MOD Single : B 133 SER OG : rot 160:sc= -0.141 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.12) USER MOD Single : B 141 SER OG : rot 140:sc= -1.43! USER MOD Single : B 143 ASN :FLIP amide:sc= -0.0244 F(o=-1.8!,f=-0.024) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -15.070 -8.793 4.506 1.00 6.84 N ATOM 2 CA VAL A 1 -15.582 -9.975 5.244 1.00 6.39 C ATOM 3 C VAL A 1 -14.556 -11.103 5.259 1.00 5.45 C ATOM 4 O VAL A 1 -14.594 -11.976 6.128 1.00 5.57 O ATOM 5 CB VAL A 1 -16.893 -10.496 4.625 1.00 7.06 C ATOM 6 CG1 VAL A 1 -18.009 -9.478 4.801 1.00 7.37 C ATOM 7 CG2 VAL A 1 -16.695 -10.829 3.153 1.00 7.36 C ATOM 0 H1 VAL A 1 -15.775 -8.029 4.541 1.00 6.84 H new ATOM 0 H2 VAL A 1 -14.185 -8.467 4.944 1.00 6.84 H new ATOM 0 H3 VAL A 1 -14.891 -9.053 3.515 1.00 6.84 H new ATOM 0 HA VAL A 1 -15.774 -9.651 6.267 1.00 6.39 H new ATOM 0 HB VAL A 1 -17.179 -11.410 5.146 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -18.927 -9.864 4.357 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -18.169 -9.294 5.863 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -17.732 -8.546 4.309 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -17.632 -11.195 2.734 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -16.383 -9.933 2.616 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -15.928 -11.597 3.054 1.00 7.36 H new ATOM 19 N ASP A 2 -13.641 -11.079 4.295 1.00 4.87 N ATOM 20 CA ASP A 2 -12.606 -12.102 4.201 1.00 4.23 C ATOM 21 C ASP A 2 -11.588 -11.957 5.329 1.00 3.33 C ATOM 22 O ASP A 2 -11.053 -12.948 5.828 1.00 3.72 O ATOM 23 CB ASP A 2 -11.902 -12.024 2.845 1.00 5.03 C ATOM 24 CG ASP A 2 -12.857 -12.231 1.687 1.00 5.73 C ATOM 25 OD1 ASP A 2 -13.471 -11.239 1.239 1.00 6.23 O ATOM 26 OD2 ASP A 2 -12.993 -13.384 1.228 1.00 6.07 O ATOM 0 H ASP A 2 -13.595 -10.364 3.569 1.00 4.87 H new ATOM 0 HA ASP A 2 -13.086 -13.076 4.296 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -11.419 -11.052 2.745 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -11.115 -12.777 2.803 1.00 5.03 H new ATOM 31 N ASN A 3 -11.328 -10.711 5.723 1.00 2.66 N ATOM 32 CA ASN A 3 -10.385 -10.417 6.800 1.00 2.31 C ATOM 33 C ASN A 3 -8.993 -10.960 6.502 1.00 1.47 C ATOM 34 O ASN A 3 -8.190 -11.168 7.411 1.00 2.12 O ATOM 35 CB ASN A 3 -10.896 -10.989 8.120 1.00 2.82 C ATOM 36 CG ASN A 3 -11.886 -10.065 8.804 1.00 3.16 C ATOM 37 OD1 ASN A 3 -11.686 -8.760 8.644 1.00 3.78 O flip ATOM 38 ND2 ASN A 3 -12.816 -10.516 9.473 1.00 3.18 N flip ATOM 0 H ASN A 3 -11.760 -9.885 5.309 1.00 2.66 H new ATOM 0 HA ASN A 3 -10.308 -9.333 6.879 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -11.370 -11.953 7.936 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -10.052 -11.170 8.786 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -12.933 -11.525 9.570 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -13.470 -9.881 9.931 1.00 3.18 H new ATOM 45 N LYS A 4 -8.712 -11.181 5.224 1.00 0.80 N ATOM 46 CA LYS A 4 -7.407 -11.684 4.800 1.00 1.31 C ATOM 47 C LYS A 4 -6.298 -10.713 5.196 1.00 1.28 C ATOM 48 O LYS A 4 -5.113 -11.018 5.061 1.00 2.13 O ATOM 49 CB LYS A 4 -7.389 -11.893 3.287 1.00 2.13 C ATOM 50 CG LYS A 4 -8.402 -12.916 2.794 1.00 2.28 C ATOM 51 CD LYS A 4 -8.106 -14.310 3.333 1.00 3.10 C ATOM 52 CE LYS A 4 -6.806 -14.866 2.772 1.00 3.72 C ATOM 53 NZ LYS A 4 -6.498 -16.216 3.322 1.00 4.09 N ATOM 0 H LYS A 4 -9.369 -11.020 4.461 1.00 0.80 H new ATOM 0 HA LYS A 4 -7.232 -12.637 5.298 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -7.582 -10.939 2.796 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -6.391 -12.210 2.986 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -9.403 -12.613 3.100 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -8.395 -12.939 1.704 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -8.047 -14.275 4.421 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -8.928 -14.980 3.080 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -6.874 -14.923 1.686 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -5.989 -14.184 3.005 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -5.605 -16.561 2.916 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -6.408 -16.157 4.356 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -7.266 -16.874 3.078 1.00 4.09 H new ATOM 67 N PHE A 5 -6.701 -9.541 5.674 1.00 0.53 N ATOM 68 CA PHE A 5 -5.761 -8.509 6.099 1.00 0.42 C ATOM 69 C PHE A 5 -5.228 -8.821 7.492 1.00 0.40 C ATOM 70 O PHE A 5 -5.371 -8.027 8.422 1.00 0.49 O ATOM 71 CB PHE A 5 -6.439 -7.136 6.093 1.00 0.34 C ATOM 72 CG PHE A 5 -7.187 -6.835 4.825 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.505 -6.594 3.644 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.574 -6.794 4.814 1.00 0.35 C ATOM 75 CE1 PHE A 5 -7.190 -6.318 2.475 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.264 -6.519 3.648 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.572 -6.278 2.479 1.00 0.40 C ATOM 0 H PHE A 5 -7.682 -9.280 5.778 1.00 0.53 H new ATOM 0 HA PHE A 5 -4.926 -8.492 5.398 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.130 -7.079 6.934 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.683 -6.367 6.249 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.425 -6.622 3.636 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.121 -6.979 5.727 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.646 -6.134 1.560 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.344 -6.493 3.652 1.00 0.39 H new ATOM 0 HZ PHE A 5 -9.109 -6.058 1.568 1.00 0.40 H new ATOM 87 N ASN A 6 -4.614 -9.990 7.621 1.00 0.35 N ATOM 88 CA ASN A 6 -4.058 -10.443 8.886 1.00 0.37 C ATOM 89 C ASN A 6 -2.955 -9.512 9.391 1.00 0.37 C ATOM 90 O ASN A 6 -2.753 -8.421 8.858 1.00 0.36 O ATOM 91 CB ASN A 6 -3.521 -11.860 8.717 1.00 0.36 C ATOM 92 CG ASN A 6 -4.413 -12.898 9.367 1.00 0.97 C ATOM 93 OD1 ASN A 6 -5.064 -12.631 10.377 1.00 1.73 O ATOM 94 ND2 ASN A 6 -4.450 -14.092 8.787 1.00 1.69 N ATOM 0 H ASN A 6 -4.488 -10.649 6.852 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.852 -10.433 9.633 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -3.422 -12.084 7.655 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.522 -11.921 9.150 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -5.034 -14.831 9.178 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -3.894 -14.270 7.951 1.00 1.69 H new ATOM 101 N LYS A 7 -2.242 -9.956 10.425 1.00 0.40 N ATOM 102 CA LYS A 7 -1.170 -9.163 11.018 1.00 0.43 C ATOM 103 C LYS A 7 0.010 -9.026 10.062 1.00 0.40 C ATOM 104 O LYS A 7 0.401 -7.915 9.703 1.00 0.38 O ATOM 105 CB LYS A 7 -0.707 -9.796 12.333 1.00 0.52 C ATOM 106 CG LYS A 7 0.306 -8.957 13.098 1.00 0.58 C ATOM 107 CD LYS A 7 -0.273 -7.614 13.525 1.00 0.60 C ATOM 108 CE LYS A 7 -1.424 -7.782 14.507 1.00 1.39 C ATOM 109 NZ LYS A 7 -1.002 -8.494 15.745 1.00 1.90 N ATOM 0 H LYS A 7 -2.389 -10.862 10.869 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.563 -8.166 11.219 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.576 -9.967 12.968 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.270 -10.772 12.121 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.639 -9.505 13.979 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.185 -8.791 12.475 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.510 -7.009 13.983 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.621 -7.072 12.646 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -1.822 -6.802 14.770 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -2.231 -8.336 14.028 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -1.733 -8.382 16.476 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.872 -9.505 15.537 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 -0.105 -8.093 16.087 1.00 1.90 H new ATOM 123 N GLU A 8 0.575 -10.159 9.656 1.00 0.43 N ATOM 124 CA GLU A 8 1.713 -10.163 8.740 1.00 0.43 C ATOM 125 C GLU A 8 1.387 -9.396 7.466 1.00 0.37 C ATOM 126 O GLU A 8 2.259 -8.760 6.874 1.00 0.39 O ATOM 127 CB GLU A 8 2.117 -11.598 8.399 1.00 0.47 C ATOM 128 CG GLU A 8 2.512 -12.422 9.612 1.00 0.52 C ATOM 129 CD GLU A 8 2.801 -13.869 9.266 1.00 1.03 C ATOM 130 OE1 GLU A 8 3.964 -14.179 8.936 1.00 1.80 O ATOM 131 OE2 GLU A 8 1.863 -14.692 9.323 1.00 0.95 O ATOM 0 H GLU A 8 0.264 -11.086 9.946 1.00 0.43 H new ATOM 0 HA GLU A 8 2.548 -9.668 9.236 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.287 -12.089 7.891 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.951 -11.575 7.698 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.394 -11.980 10.075 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.711 -12.382 10.350 1.00 0.52 H new ATOM 138 N GLN A 9 0.129 -9.459 7.043 1.00 0.34 N ATOM 139 CA GLN A 9 -0.304 -8.760 5.843 1.00 0.33 C ATOM 140 C GLN A 9 -0.230 -7.251 6.053 1.00 0.30 C ATOM 141 O GLN A 9 0.032 -6.493 5.119 1.00 0.32 O ATOM 142 CB GLN A 9 -1.729 -9.169 5.484 1.00 0.36 C ATOM 143 CG GLN A 9 -2.037 -9.044 4.005 1.00 0.38 C ATOM 144 CD GLN A 9 -3.176 -8.084 3.725 1.00 0.73 C ATOM 145 OE1 GLN A 9 -3.385 -7.120 4.460 1.00 1.44 O ATOM 146 NE2 GLN A 9 -3.921 -8.347 2.658 1.00 0.50 N ATOM 0 H GLN A 9 -0.606 -9.987 7.514 1.00 0.34 H new ATOM 0 HA GLN A 9 0.360 -9.032 5.022 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -1.892 -10.201 5.796 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.429 -8.551 6.047 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.144 -8.706 3.479 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -2.289 -10.027 3.606 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.711 -9.158 2.077 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -4.704 -7.738 2.420 1.00 0.50 H new ATOM 155 N GLN A 10 -0.461 -6.826 7.293 1.00 0.27 N ATOM 156 CA GLN A 10 -0.419 -5.412 7.643 1.00 0.25 C ATOM 157 C GLN A 10 1.022 -4.929 7.759 1.00 0.23 C ATOM 158 O GLN A 10 1.373 -3.868 7.245 1.00 0.26 O ATOM 159 CB GLN A 10 -1.162 -5.173 8.960 1.00 0.26 C ATOM 160 CG GLN A 10 -1.336 -3.703 9.302 1.00 0.26 C ATOM 161 CD GLN A 10 -1.928 -3.490 10.682 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.722 -4.295 11.590 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.668 -2.400 10.844 1.00 0.89 N ATOM 0 H GLN A 10 -0.680 -7.445 8.074 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.910 -4.846 6.851 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.144 -5.643 8.904 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.619 -5.664 9.768 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.369 -3.204 9.245 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -1.981 -3.235 8.558 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -2.812 -1.760 10.063 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.093 -2.202 11.750 1.00 0.89 H new ATOM 172 N ASN A 11 1.851 -5.719 8.433 1.00 0.24 N ATOM 173 CA ASN A 11 3.256 -5.379 8.612 1.00 0.23 C ATOM 174 C ASN A 11 3.965 -5.308 7.264 1.00 0.21 C ATOM 175 O ASN A 11 4.785 -4.422 7.028 1.00 0.22 O ATOM 176 CB ASN A 11 3.943 -6.411 9.508 1.00 0.27 C ATOM 177 CG ASN A 11 3.278 -6.534 10.867 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.712 -5.572 11.385 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.346 -7.725 11.452 1.00 0.82 N ATOM 0 H ASN A 11 1.573 -6.600 8.865 1.00 0.24 H new ATOM 0 HA ASN A 11 3.313 -4.401 9.090 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.933 -7.382 9.013 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.988 -6.133 9.642 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.919 -7.869 12.367 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.826 -8.495 10.986 1.00 0.82 H new ATOM 186 N ALA A 12 3.640 -6.249 6.383 1.00 0.19 N ATOM 187 CA ALA A 12 4.239 -6.298 5.054 1.00 0.18 C ATOM 188 C ALA A 12 3.924 -5.036 4.257 1.00 0.15 C ATOM 189 O ALA A 12 4.825 -4.395 3.716 1.00 0.20 O ATOM 190 CB ALA A 12 3.756 -7.533 4.307 1.00 0.22 C ATOM 0 H ALA A 12 2.963 -6.990 6.566 1.00 0.19 H new ATOM 0 HA ALA A 12 5.321 -6.355 5.172 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.209 -7.559 3.316 1.00 0.22 H new ATOM 0 HB2 ALA A 12 4.041 -8.428 4.860 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.671 -7.498 4.209 1.00 0.22 H new ATOM 196 N PHE A 13 2.644 -4.687 4.190 1.00 0.13 N ATOM 197 CA PHE A 13 2.205 -3.502 3.460 1.00 0.11 C ATOM 198 C PHE A 13 2.973 -2.260 3.913 1.00 0.11 C ATOM 199 O PHE A 13 3.490 -1.507 3.089 1.00 0.15 O ATOM 200 CB PHE A 13 0.696 -3.306 3.653 1.00 0.14 C ATOM 201 CG PHE A 13 0.179 -1.954 3.237 1.00 0.12 C ATOM 202 CD1 PHE A 13 0.143 -0.898 4.138 1.00 0.13 C ATOM 203 CD2 PHE A 13 -0.287 -1.743 1.949 1.00 0.12 C ATOM 204 CE1 PHE A 13 -0.342 0.339 3.758 1.00 0.13 C ATOM 205 CE2 PHE A 13 -0.775 -0.508 1.566 1.00 0.11 C ATOM 206 CZ PHE A 13 -0.802 0.533 2.472 1.00 0.11 C ATOM 0 H PHE A 13 1.889 -5.210 4.634 1.00 0.13 H new ATOM 0 HA PHE A 13 2.413 -3.649 2.400 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.168 -4.072 3.085 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.454 -3.465 4.704 1.00 0.14 H new ATOM 0 HD1 PHE A 13 0.498 -1.045 5.147 1.00 0.13 H new ATOM 0 HD2 PHE A 13 -0.269 -2.554 1.236 1.00 0.12 H new ATOM 0 HE1 PHE A 13 -0.361 1.153 4.467 1.00 0.13 H new ATOM 0 HE2 PHE A 13 -1.135 -0.358 0.559 1.00 0.11 H new ATOM 0 HZ PHE A 13 -1.183 1.499 2.174 1.00 0.11 H new ATOM 216 N TYR A 14 3.048 -2.057 5.225 1.00 0.11 N ATOM 217 CA TYR A 14 3.752 -0.905 5.783 1.00 0.13 C ATOM 218 C TYR A 14 5.237 -0.930 5.423 1.00 0.13 C ATOM 219 O TYR A 14 5.771 0.050 4.904 1.00 0.17 O ATOM 220 CB TYR A 14 3.591 -0.867 7.304 1.00 0.16 C ATOM 221 CG TYR A 14 2.224 -0.408 7.770 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.651 0.758 7.273 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.513 -1.132 8.718 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.412 1.186 7.710 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.272 -0.711 9.156 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.272 0.448 8.650 1.00 0.33 C ATOM 227 OH TYR A 14 -1.506 0.873 9.088 1.00 0.42 O ATOM 0 H TYR A 14 2.631 -2.674 5.922 1.00 0.11 H new ATOM 0 HA TYR A 14 3.310 -0.008 5.350 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.784 -1.862 7.704 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.348 -0.203 7.722 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.183 1.338 6.534 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.937 -2.040 9.120 1.00 0.26 H new ATOM 0 HE1 TYR A 14 -0.018 2.095 7.316 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.268 -1.288 9.892 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.854 0.240 9.750 1.00 0.42 H new ATOM 237 N GLU A 15 5.897 -2.051 5.706 1.00 0.11 N ATOM 238 CA GLU A 15 7.322 -2.198 5.416 1.00 0.12 C ATOM 239 C GLU A 15 7.637 -1.841 3.967 1.00 0.12 C ATOM 240 O GLU A 15 8.670 -1.235 3.681 1.00 0.19 O ATOM 241 CB GLU A 15 7.782 -3.626 5.717 1.00 0.13 C ATOM 242 CG GLU A 15 7.838 -3.944 7.202 1.00 0.19 C ATOM 243 CD GLU A 15 8.335 -5.349 7.482 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.565 -5.533 7.590 1.00 1.08 O ATOM 245 OE2 GLU A 15 7.494 -6.265 7.593 1.00 2.16 O ATOM 0 H GLU A 15 5.468 -2.871 6.136 1.00 0.11 H new ATOM 0 HA GLU A 15 7.864 -1.504 6.059 1.00 0.12 H new ATOM 0 HB2 GLU A 15 7.106 -4.328 5.228 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.770 -3.780 5.283 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.491 -3.226 7.699 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.844 -3.822 7.633 1.00 0.19 H new ATOM 252 N ILE A 16 6.747 -2.218 3.055 1.00 0.10 N ATOM 253 CA ILE A 16 6.939 -1.926 1.639 1.00 0.09 C ATOM 254 C ILE A 16 6.893 -0.422 1.391 1.00 0.12 C ATOM 255 O ILE A 16 7.575 0.096 0.505 1.00 0.16 O ATOM 256 CB ILE A 16 5.875 -2.630 0.771 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.044 -4.149 0.866 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.972 -2.168 -0.679 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.935 -4.931 0.197 1.00 0.14 C ATOM 0 H ILE A 16 5.888 -2.725 3.270 1.00 0.10 H new ATOM 0 HA ILE A 16 7.920 -2.306 1.356 1.00 0.09 H new ATOM 0 HB ILE A 16 4.886 -2.364 1.145 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.996 -4.428 0.414 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.094 -4.434 1.917 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.213 -2.676 -1.274 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.811 -1.091 -0.729 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.961 -2.406 -1.071 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.125 -5.999 0.307 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.982 -4.682 0.664 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.898 -4.676 -0.862 1.00 0.14 H new ATOM 271 N LEU A 17 6.088 0.274 2.186 1.00 0.14 N ATOM 272 CA LEU A 17 5.955 1.720 2.067 1.00 0.19 C ATOM 273 C LEU A 17 7.173 2.427 2.657 1.00 0.18 C ATOM 274 O LEU A 17 7.563 3.500 2.197 1.00 0.26 O ATOM 275 CB LEU A 17 4.683 2.198 2.768 1.00 0.27 C ATOM 276 CG LEU A 17 3.460 2.341 1.864 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.763 1.002 1.677 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.501 3.372 2.433 1.00 0.77 C ATOM 0 H LEU A 17 5.517 -0.142 2.921 1.00 0.14 H new ATOM 0 HA LEU A 17 5.890 1.968 1.008 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.444 1.499 3.569 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.885 3.162 3.236 1.00 0.27 H new ATOM 0 HG LEU A 17 3.795 2.683 0.885 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.896 1.131 1.030 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.454 0.293 1.221 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.439 0.622 2.646 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.634 3.463 1.778 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.175 3.058 3.425 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.004 4.336 2.505 1.00 0.77 H new ATOM 290 N HIS A 18 7.772 1.814 3.675 1.00 0.16 N ATOM 291 CA HIS A 18 8.942 2.384 4.337 1.00 0.16 C ATOM 292 C HIS A 18 10.152 2.411 3.410 1.00 0.13 C ATOM 293 O HIS A 18 11.034 3.258 3.556 1.00 0.15 O ATOM 294 CB HIS A 18 9.279 1.590 5.601 1.00 0.17 C ATOM 295 CG HIS A 18 8.361 1.865 6.752 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.798 1.956 8.056 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.022 2.069 6.791 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.770 2.201 8.848 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.681 2.274 8.105 1.00 0.33 N ATOM 0 H HIS A 18 7.465 0.921 4.060 1.00 0.16 H new ATOM 0 HA HIS A 18 8.697 3.411 4.608 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.247 0.525 5.369 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.301 1.820 5.901 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.765 1.850 8.362 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.349 2.070 5.946 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.813 2.321 9.920 1.00 0.60 H new ATOM 308 N LEU A 19 10.192 1.480 2.461 1.00 0.14 N ATOM 309 CA LEU A 19 11.301 1.399 1.516 1.00 0.14 C ATOM 310 C LEU A 19 11.528 2.746 0.825 1.00 0.16 C ATOM 311 O LEU A 19 10.699 3.190 0.031 1.00 0.18 O ATOM 312 CB LEU A 19 11.033 0.307 0.478 1.00 0.12 C ATOM 313 CG LEU A 19 10.889 -1.102 1.056 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.589 -2.104 -0.047 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.148 -1.500 1.814 1.00 0.12 C ATOM 0 H LEU A 19 9.470 0.772 2.326 1.00 0.14 H new ATOM 0 HA LEU A 19 12.205 1.144 2.070 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.122 0.557 -0.066 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.847 0.306 -0.247 1.00 0.12 H new ATOM 0 HG LEU A 19 10.053 -1.103 1.756 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.490 -3.100 0.384 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.659 -1.830 -0.545 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.403 -2.101 -0.772 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.027 -2.505 2.218 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.002 -1.482 1.137 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.318 -0.799 2.631 1.00 0.12 H new ATOM 327 N PRO A 20 12.662 3.414 1.121 1.00 0.18 N ATOM 328 CA PRO A 20 12.988 4.719 0.540 1.00 0.21 C ATOM 329 C PRO A 20 13.575 4.617 -0.866 1.00 0.21 C ATOM 330 O PRO A 20 13.164 5.342 -1.772 1.00 0.23 O ATOM 331 CB PRO A 20 14.027 5.267 1.513 1.00 0.24 C ATOM 332 CG PRO A 20 14.740 4.058 2.013 1.00 0.22 C ATOM 333 CD PRO A 20 13.719 2.950 2.047 1.00 0.19 C ATOM 0 HA PRO A 20 12.104 5.346 0.421 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.711 5.955 1.017 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.557 5.817 2.328 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.573 3.799 1.359 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.156 4.234 3.005 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.147 2.002 1.722 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.330 2.796 3.053 1.00 0.19 H new ATOM 341 N ASN A 21 14.537 3.718 -1.040 1.00 0.20 N ATOM 342 CA ASN A 21 15.186 3.531 -2.333 1.00 0.21 C ATOM 343 C ASN A 21 14.195 3.034 -3.380 1.00 0.20 C ATOM 344 O ASN A 21 14.364 3.280 -4.574 1.00 0.23 O ATOM 345 CB ASN A 21 16.350 2.548 -2.203 1.00 0.21 C ATOM 346 CG ASN A 21 17.383 3.009 -1.193 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.618 4.206 -1.029 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.002 2.058 -0.503 1.00 0.26 N ATOM 0 H ASN A 21 14.885 3.107 -0.302 1.00 0.20 H new ATOM 0 HA ASN A 21 15.569 4.497 -2.660 1.00 0.21 H new ATOM 0 HB2 ASN A 21 15.967 1.571 -1.907 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.827 2.422 -3.175 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.703 2.308 0.195 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.777 1.077 -0.671 1.00 0.26 H new ATOM 355 N LEU A 22 13.159 2.334 -2.925 1.00 0.18 N ATOM 356 CA LEU A 22 12.140 1.809 -3.825 1.00 0.17 C ATOM 357 C LEU A 22 11.283 2.944 -4.370 1.00 0.20 C ATOM 358 O LEU A 22 10.866 3.830 -3.624 1.00 0.26 O ATOM 359 CB LEU A 22 11.256 0.793 -3.096 1.00 0.17 C ATOM 360 CG LEU A 22 10.465 -0.149 -4.004 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.370 -1.240 -4.558 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.294 -0.758 -3.249 1.00 0.26 C ATOM 0 H LEU A 22 13.004 2.118 -1.940 1.00 0.18 H new ATOM 0 HA LEU A 22 12.638 1.310 -4.656 1.00 0.17 H new ATOM 0 HB2 LEU A 22 11.885 0.194 -2.437 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.555 1.335 -2.461 1.00 0.17 H new ATOM 0 HG LEU A 22 10.071 0.428 -4.841 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.790 -1.901 -5.202 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.176 -0.786 -5.135 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.793 -1.815 -3.734 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.742 -1.426 -3.911 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.666 -1.321 -2.393 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.633 0.036 -2.901 1.00 0.26 H new ATOM 374 N ASN A 23 11.020 2.917 -5.673 1.00 0.22 N ATOM 375 CA ASN A 23 10.216 3.957 -6.302 1.00 0.27 C ATOM 376 C ASN A 23 8.728 3.633 -6.204 1.00 0.24 C ATOM 377 O ASN A 23 8.342 2.621 -5.620 1.00 0.29 O ATOM 378 CB ASN A 23 10.625 4.150 -7.764 1.00 0.33 C ATOM 379 CG ASN A 23 10.571 2.866 -8.562 1.00 0.75 C ATOM 380 OD1 ASN A 23 9.440 2.624 -9.209 1.00 1.59 O flip ATOM 381 ND2 ASN A 23 11.537 2.104 -8.602 1.00 1.33 N flip ATOM 0 H ASN A 23 11.350 2.191 -6.309 1.00 0.22 H new ATOM 0 HA ASN A 23 10.398 4.889 -5.767 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.968 4.887 -8.226 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.636 4.555 -7.803 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.388 2.332 -8.087 1.00 1.33 H new ATOM 0 HD22 ASN A 23 11.487 1.245 -9.150 1.00 1.33 H new ATOM 388 N GLU A 24 7.898 4.494 -6.782 1.00 0.29 N ATOM 389 CA GLU A 24 6.451 4.307 -6.741 1.00 0.29 C ATOM 390 C GLU A 24 6.004 3.152 -7.634 1.00 0.24 C ATOM 391 O GLU A 24 5.120 2.383 -7.264 1.00 0.22 O ATOM 392 CB GLU A 24 5.743 5.595 -7.166 1.00 0.36 C ATOM 393 CG GLU A 24 6.157 6.812 -6.357 1.00 1.23 C ATOM 394 CD GLU A 24 5.497 8.088 -6.841 1.00 1.42 C ATOM 395 OE1 GLU A 24 4.352 8.361 -6.421 1.00 2.17 O ATOM 396 OE2 GLU A 24 6.125 8.816 -7.638 1.00 1.25 O ATOM 0 H GLU A 24 8.201 5.328 -7.284 1.00 0.29 H new ATOM 0 HA GLU A 24 6.179 4.061 -5.715 1.00 0.29 H new ATOM 0 HB2 GLU A 24 5.949 5.782 -8.220 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.666 5.456 -7.072 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.902 6.651 -5.310 1.00 1.23 H new ATOM 0 HG3 GLU A 24 7.240 6.926 -6.408 1.00 1.23 H new ATOM 403 N GLU A 25 6.621 3.024 -8.804 1.00 0.27 N ATOM 404 CA GLU A 25 6.254 1.964 -9.742 1.00 0.28 C ATOM 405 C GLU A 25 6.473 0.580 -9.136 1.00 0.24 C ATOM 406 O GLU A 25 5.583 -0.270 -9.177 1.00 0.30 O ATOM 407 CB GLU A 25 7.052 2.097 -11.043 1.00 0.36 C ATOM 408 CG GLU A 25 6.900 3.452 -11.717 1.00 0.91 C ATOM 409 CD GLU A 25 5.473 3.733 -12.143 1.00 1.60 C ATOM 410 OE1 GLU A 25 4.699 4.257 -11.315 1.00 2.20 O ATOM 411 OE2 GLU A 25 5.130 3.429 -13.304 1.00 2.00 O ATOM 0 H GLU A 25 7.372 3.635 -9.126 1.00 0.27 H new ATOM 0 HA GLU A 25 5.192 2.074 -9.962 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.107 1.923 -10.831 1.00 0.36 H new ATOM 0 HB3 GLU A 25 6.733 1.318 -11.736 1.00 0.36 H new ATOM 0 HG2 GLU A 25 7.232 4.233 -11.033 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.551 3.495 -12.590 1.00 0.91 H new ATOM 418 N GLN A 26 7.656 0.359 -8.573 1.00 0.18 N ATOM 419 CA GLN A 26 7.983 -0.928 -7.967 1.00 0.15 C ATOM 420 C GLN A 26 7.104 -1.196 -6.752 1.00 0.13 C ATOM 421 O GLN A 26 6.552 -2.285 -6.602 1.00 0.16 O ATOM 422 CB GLN A 26 9.461 -0.965 -7.576 1.00 0.15 C ATOM 423 CG GLN A 26 10.395 -0.817 -8.765 1.00 0.19 C ATOM 424 CD GLN A 26 11.858 -0.797 -8.370 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.217 -0.319 -7.294 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.711 -1.322 -9.242 1.00 1.59 N ATOM 0 H GLN A 26 8.403 1.052 -8.523 1.00 0.18 H new ATOM 0 HA GLN A 26 7.793 -1.712 -8.700 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.662 -0.166 -6.862 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.673 -1.907 -7.069 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.223 -1.639 -9.460 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.155 0.104 -9.296 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.368 -1.707 -10.122 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.709 -1.340 -9.032 1.00 1.59 H new ATOM 435 N ARG A 27 6.976 -0.193 -5.892 1.00 0.13 N ATOM 436 CA ARG A 27 6.164 -0.310 -4.686 1.00 0.13 C ATOM 437 C ARG A 27 4.726 -0.689 -5.027 1.00 0.14 C ATOM 438 O ARG A 27 4.181 -1.650 -4.485 1.00 0.23 O ATOM 439 CB ARG A 27 6.179 1.008 -3.913 1.00 0.14 C ATOM 440 CG ARG A 27 5.226 1.036 -2.729 1.00 0.18 C ATOM 441 CD ARG A 27 4.947 2.458 -2.278 1.00 0.41 C ATOM 442 NE ARG A 27 4.278 3.242 -3.311 1.00 1.59 N ATOM 443 CZ ARG A 27 4.692 4.443 -3.707 1.00 1.94 C ATOM 444 NH1 ARG A 27 5.783 4.981 -3.178 1.00 1.37 N ATOM 445 NH2 ARG A 27 4.017 5.105 -4.636 1.00 3.04 N ATOM 0 H ARG A 27 7.426 0.715 -6.008 1.00 0.13 H new ATOM 0 HA ARG A 27 6.591 -1.099 -4.067 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.192 1.198 -3.557 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.923 1.820 -4.593 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.290 0.549 -3.002 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.653 0.467 -1.903 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.328 2.438 -1.381 1.00 0.41 H new ATOM 0 HD3 ARG A 27 5.885 2.942 -2.007 1.00 0.41 H new ATOM 0 HE ARG A 27 3.448 2.848 -3.754 1.00 1.59 H new ATOM 0 HH11 ARG A 27 6.308 4.474 -2.465 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.097 5.902 -3.484 1.00 1.37 H new ATOM 0 HH21 ARG A 27 3.179 4.694 -5.048 1.00 3.04 H new ATOM 0 HH22 ARG A 27 4.335 6.026 -4.939 1.00 3.04 H new ATOM 459 N ASN A 28 4.121 0.078 -5.927 1.00 0.13 N ATOM 460 CA ASN A 28 2.743 -0.157 -6.344 1.00 0.15 C ATOM 461 C ASN A 28 2.553 -1.587 -6.840 1.00 0.15 C ATOM 462 O ASN A 28 1.510 -2.198 -6.608 1.00 0.21 O ATOM 463 CB ASN A 28 2.347 0.830 -7.443 1.00 0.19 C ATOM 464 CG ASN A 28 2.151 2.242 -6.924 1.00 0.20 C ATOM 465 OD1 ASN A 28 2.932 2.627 -5.920 1.00 0.26 O flip ATOM 466 ND2 ASN A 28 1.312 2.987 -7.432 1.00 0.19 N flip ATOM 0 H ASN A 28 4.567 0.873 -6.385 1.00 0.13 H new ATOM 0 HA ASN A 28 2.101 -0.007 -5.476 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.117 0.835 -8.215 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.425 0.490 -7.915 1.00 0.19 H new ATOM 0 HD21 ASN A 28 0.732 2.652 -8.202 1.00 0.19 H new ATOM 0 HD22 ASN A 28 1.197 3.939 -7.083 1.00 0.19 H new ATOM 473 N ALA A 29 3.562 -2.110 -7.526 1.00 0.12 N ATOM 474 CA ALA A 29 3.505 -3.470 -8.048 1.00 0.12 C ATOM 475 C ALA A 29 3.476 -4.480 -6.910 1.00 0.11 C ATOM 476 O ALA A 29 2.819 -5.518 -7.004 1.00 0.15 O ATOM 477 CB ALA A 29 4.686 -3.737 -8.969 1.00 0.15 C ATOM 0 H ALA A 29 4.429 -1.614 -7.734 1.00 0.12 H new ATOM 0 HA ALA A 29 2.587 -3.578 -8.625 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.627 -4.757 -9.349 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.662 -3.036 -9.804 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.616 -3.609 -8.415 1.00 0.15 H new ATOM 483 N PHE A 30 4.190 -4.172 -5.831 1.00 0.10 N ATOM 484 CA PHE A 30 4.230 -5.052 -4.672 1.00 0.10 C ATOM 485 C PHE A 30 2.921 -4.963 -3.900 1.00 0.12 C ATOM 486 O PHE A 30 2.424 -5.964 -3.387 1.00 0.18 O ATOM 487 CB PHE A 30 5.413 -4.702 -3.768 1.00 0.12 C ATOM 488 CG PHE A 30 6.733 -5.181 -4.305 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.011 -6.536 -4.398 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.696 -4.274 -4.715 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.226 -6.975 -4.888 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.913 -4.707 -5.206 1.00 0.21 C ATOM 493 CZ PHE A 30 9.168 -6.075 -5.304 1.00 0.20 C ATOM 0 H PHE A 30 4.746 -3.322 -5.737 1.00 0.10 H new ATOM 0 HA PHE A 30 4.361 -6.077 -5.019 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.453 -3.621 -3.636 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.250 -5.138 -2.782 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.270 -7.256 -4.084 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.493 -3.215 -4.650 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.433 -8.034 -4.943 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.662 -3.991 -5.512 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.107 -6.423 -5.708 1.00 0.20 H new ATOM 503 N ILE A 31 2.368 -3.755 -3.824 1.00 0.10 N ATOM 504 CA ILE A 31 1.101 -3.537 -3.139 1.00 0.11 C ATOM 505 C ILE A 31 -0.018 -4.237 -3.901 1.00 0.11 C ATOM 506 O ILE A 31 -0.962 -4.760 -3.308 1.00 0.16 O ATOM 507 CB ILE A 31 0.782 -2.029 -3.009 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.749 -1.368 -2.023 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.663 -1.813 -2.572 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.538 0.125 -1.871 1.00 0.13 C ATOM 0 H ILE A 31 2.779 -2.914 -4.229 1.00 0.10 H new ATOM 0 HA ILE A 31 1.181 -3.952 -2.134 1.00 0.11 H new ATOM 0 HB ILE A 31 0.909 -1.565 -3.987 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.640 -1.843 -1.048 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.772 -1.550 -2.354 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.862 -0.745 -2.488 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.336 -2.250 -3.310 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.826 -2.289 -1.605 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.259 0.524 -1.157 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.676 0.612 -2.836 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.527 0.315 -1.510 1.00 0.13 H new ATOM 522 N GLN A 32 0.105 -4.236 -5.226 1.00 0.08 N ATOM 523 CA GLN A 32 -0.872 -4.875 -6.094 1.00 0.09 C ATOM 524 C GLN A 32 -0.969 -6.368 -5.798 1.00 0.11 C ATOM 525 O GLN A 32 -2.036 -6.874 -5.448 1.00 0.19 O ATOM 526 CB GLN A 32 -0.481 -4.663 -7.556 1.00 0.11 C ATOM 527 CG GLN A 32 -1.672 -4.556 -8.487 1.00 0.15 C ATOM 528 CD GLN A 32 -1.332 -4.888 -9.923 1.00 0.29 C ATOM 529 OE1 GLN A 32 -2.323 -5.390 -10.653 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 -0.205 -4.693 -10.374 1.00 1.04 N flip ATOM 0 H GLN A 32 0.879 -3.795 -5.722 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.846 -4.423 -5.907 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.117 -3.755 -7.637 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.151 -5.490 -7.879 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.458 -5.227 -8.141 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.074 -3.544 -8.439 1.00 0.15 H new ATOM 0 HE21 GLN A 32 0.524 -4.306 -9.775 1.00 1.04 H new ATOM 0 HE22 GLN A 32 0.001 -4.919 -11.347 1.00 1.04 H new ATOM 539 N SER A 33 0.152 -7.067 -5.944 1.00 0.09 N ATOM 540 CA SER A 33 0.196 -8.505 -5.697 1.00 0.11 C ATOM 541 C SER A 33 -0.110 -8.820 -4.235 1.00 0.10 C ATOM 542 O SER A 33 -0.463 -9.948 -3.896 1.00 0.15 O ATOM 543 CB SER A 33 1.566 -9.066 -6.077 1.00 0.13 C ATOM 544 OG SER A 33 1.622 -10.466 -5.862 1.00 1.19 O ATOM 0 H SER A 33 1.042 -6.662 -6.232 1.00 0.09 H new ATOM 0 HA SER A 33 -0.567 -8.977 -6.316 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.774 -8.847 -7.124 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.340 -8.573 -5.489 1.00 0.13 H new ATOM 0 HG SER A 33 2.111 -10.891 -6.597 1.00 1.19 H new ATOM 550 N LEU A 34 0.032 -7.817 -3.374 1.00 0.10 N ATOM 551 CA LEU A 34 -0.238 -7.986 -1.949 1.00 0.11 C ATOM 552 C LEU A 34 -1.741 -8.040 -1.698 1.00 0.13 C ATOM 553 O LEU A 34 -2.220 -8.810 -0.865 1.00 0.18 O ATOM 554 CB LEU A 34 0.371 -6.824 -1.157 1.00 0.10 C ATOM 555 CG LEU A 34 0.943 -7.175 0.222 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.570 -5.943 0.853 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.131 -7.744 1.138 1.00 0.17 C ATOM 0 H LEU A 34 0.332 -6.879 -3.638 1.00 0.10 H new ATOM 0 HA LEU A 34 0.212 -8.922 -1.620 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.166 -6.380 -1.756 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.394 -6.059 -1.027 1.00 0.10 H new ATOM 0 HG LEU A 34 1.708 -7.940 0.087 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.974 -6.201 1.832 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.374 -5.576 0.214 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.813 -5.167 0.966 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.307 -7.983 2.107 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.924 -7.008 1.269 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.545 -8.649 0.694 1.00 0.17 H new ATOM 569 N LYS A 35 -2.475 -7.216 -2.435 1.00 0.15 N ATOM 570 CA LYS A 35 -3.923 -7.136 -2.298 1.00 0.19 C ATOM 571 C LYS A 35 -4.625 -8.321 -2.961 1.00 0.22 C ATOM 572 O LYS A 35 -5.640 -8.805 -2.461 1.00 0.31 O ATOM 573 CB LYS A 35 -4.427 -5.825 -2.905 1.00 0.23 C ATOM 574 CG LYS A 35 -5.915 -5.591 -2.714 1.00 0.23 C ATOM 575 CD LYS A 35 -6.261 -5.397 -1.248 1.00 0.24 C ATOM 576 CE LYS A 35 -7.734 -5.077 -1.060 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.606 -6.225 -1.436 1.00 0.46 N ATOM 0 H LYS A 35 -2.087 -6.589 -3.139 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.159 -7.167 -1.234 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.878 -4.995 -2.459 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.202 -5.820 -3.972 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.223 -4.713 -3.281 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.472 -6.439 -3.112 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.010 -6.300 -0.692 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.657 -4.590 -0.834 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.917 -4.808 -0.020 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.997 -4.209 -1.664 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.353 -5.897 -2.080 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.035 -6.954 -1.910 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.039 -6.627 -0.580 1.00 0.46 H new ATOM 591 N ASP A 36 -4.083 -8.785 -4.082 1.00 0.23 N ATOM 592 CA ASP A 36 -4.676 -9.906 -4.809 1.00 0.28 C ATOM 593 C ASP A 36 -4.130 -11.242 -4.315 1.00 0.25 C ATOM 594 O ASP A 36 -4.820 -12.260 -4.367 1.00 0.33 O ATOM 595 CB ASP A 36 -4.415 -9.763 -6.307 1.00 0.34 C ATOM 596 CG ASP A 36 -5.190 -10.775 -7.129 1.00 1.07 C ATOM 597 OD1 ASP A 36 -4.670 -11.890 -7.344 1.00 2.07 O ATOM 598 OD2 ASP A 36 -6.318 -10.453 -7.559 1.00 0.96 O ATOM 0 H ASP A 36 -3.237 -8.405 -4.507 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.750 -9.888 -4.625 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -4.686 -8.756 -6.626 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -3.349 -9.882 -6.500 1.00 0.34 H new ATOM 603 N ASP A 37 -2.891 -11.231 -3.840 1.00 0.20 N ATOM 604 CA ASP A 37 -2.252 -12.444 -3.341 1.00 0.22 C ATOM 605 C ASP A 37 -1.640 -12.211 -1.961 1.00 0.18 C ATOM 606 O ASP A 37 -0.420 -12.115 -1.823 1.00 0.16 O ATOM 607 CB ASP A 37 -1.176 -12.922 -4.319 1.00 0.27 C ATOM 608 CG ASP A 37 -1.759 -13.381 -5.641 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.065 -12.516 -6.488 1.00 1.29 O ATOM 610 OD2 ASP A 37 -1.909 -14.606 -5.830 1.00 0.91 O ATOM 0 H ASP A 37 -2.308 -10.396 -3.789 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.017 -13.216 -3.252 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.467 -12.114 -4.499 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.617 -13.742 -3.868 1.00 0.27 H new ATOM 615 N PRO A 38 -2.485 -12.114 -0.917 1.00 0.21 N ATOM 616 CA PRO A 38 -2.026 -11.893 0.459 1.00 0.21 C ATOM 617 C PRO A 38 -1.128 -13.019 0.965 1.00 0.21 C ATOM 618 O PRO A 38 -0.466 -12.883 1.993 1.00 0.23 O ATOM 619 CB PRO A 38 -3.324 -11.838 1.275 1.00 0.27 C ATOM 620 CG PRO A 38 -4.352 -12.493 0.419 1.00 0.30 C ATOM 621 CD PRO A 38 -3.952 -12.203 -0.999 1.00 0.26 C ATOM 0 HA PRO A 38 -1.421 -10.990 0.538 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.214 -12.359 2.226 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.601 -10.809 1.505 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.387 -13.567 0.603 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.346 -12.100 0.633 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.271 -12.994 -1.678 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.393 -11.274 -1.361 1.00 0.26 H new ATOM 629 N SER A 39 -1.114 -14.134 0.241 1.00 0.21 N ATOM 630 CA SER A 39 -0.292 -15.281 0.619 1.00 0.23 C ATOM 631 C SER A 39 1.179 -15.005 0.325 1.00 0.21 C ATOM 632 O SER A 39 2.069 -15.590 0.943 1.00 0.24 O ATOM 633 CB SER A 39 -0.749 -16.533 -0.132 1.00 0.26 C ATOM 634 OG SER A 39 -2.113 -16.816 0.128 1.00 1.37 O ATOM 0 H SER A 39 -1.661 -14.269 -0.609 1.00 0.21 H new ATOM 0 HA SER A 39 -0.409 -15.449 1.690 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.602 -16.392 -1.203 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.135 -17.383 0.165 1.00 0.26 H new ATOM 0 HG SER A 39 -2.380 -17.620 -0.365 1.00 1.37 H new ATOM 640 N GLN A 40 1.421 -14.110 -0.625 1.00 0.19 N ATOM 641 CA GLN A 40 2.777 -13.742 -1.013 1.00 0.18 C ATOM 642 C GLN A 40 3.280 -12.562 -0.186 1.00 0.16 C ATOM 643 O GLN A 40 4.380 -12.064 -0.409 1.00 0.16 O ATOM 644 CB GLN A 40 2.832 -13.399 -2.504 1.00 0.21 C ATOM 645 CG GLN A 40 2.402 -14.544 -3.407 1.00 0.27 C ATOM 646 CD GLN A 40 3.250 -15.786 -3.221 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.438 -15.701 -2.910 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.642 -16.953 -3.408 1.00 0.69 N ATOM 0 H GLN A 40 0.690 -13.623 -1.144 1.00 0.19 H new ATOM 0 HA GLN A 40 3.426 -14.597 -0.823 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.192 -12.537 -2.694 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.849 -13.105 -2.764 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.359 -14.788 -3.206 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.459 -14.222 -4.447 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.655 -16.979 -3.665 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.162 -17.823 -3.294 1.00 0.69 H new ATOM 657 N SER A 41 2.453 -12.111 0.755 1.00 0.17 N ATOM 658 CA SER A 41 2.798 -10.981 1.618 1.00 0.20 C ATOM 659 C SER A 41 4.231 -11.079 2.132 1.00 0.20 C ATOM 660 O SER A 41 4.885 -10.063 2.362 1.00 0.25 O ATOM 661 CB SER A 41 1.832 -10.903 2.801 1.00 0.23 C ATOM 662 OG SER A 41 0.552 -10.459 2.389 1.00 1.10 O ATOM 0 H SER A 41 1.534 -12.513 0.941 1.00 0.17 H new ATOM 0 HA SER A 41 2.715 -10.075 1.018 1.00 0.20 H new ATOM 0 HB2 SER A 41 1.746 -11.884 3.269 1.00 0.23 H new ATOM 0 HB3 SER A 41 2.230 -10.224 3.555 1.00 0.23 H new ATOM 0 HG SER A 41 -0.074 -11.213 2.397 1.00 1.10 H new ATOM 668 N ALA A 42 4.711 -12.304 2.314 1.00 0.18 N ATOM 669 CA ALA A 42 6.067 -12.527 2.801 1.00 0.20 C ATOM 670 C ALA A 42 7.072 -12.531 1.653 1.00 0.17 C ATOM 671 O ALA A 42 8.212 -12.092 1.812 1.00 0.18 O ATOM 672 CB ALA A 42 6.138 -13.833 3.574 1.00 0.24 C ATOM 0 H ALA A 42 4.182 -13.157 2.132 1.00 0.18 H new ATOM 0 HA ALA A 42 6.327 -11.706 3.469 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.155 -13.989 3.933 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.456 -13.791 4.423 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.853 -14.658 2.921 1.00 0.24 H new ATOM 678 N ASN A 43 6.641 -13.027 0.499 1.00 0.16 N ATOM 679 CA ASN A 43 7.504 -13.084 -0.678 1.00 0.16 C ATOM 680 C ASN A 43 7.721 -11.691 -1.257 1.00 0.13 C ATOM 681 O ASN A 43 8.852 -11.221 -1.358 1.00 0.14 O ATOM 682 CB ASN A 43 6.895 -14.000 -1.742 1.00 0.18 C ATOM 683 CG ASN A 43 6.946 -15.467 -1.354 1.00 0.21 C ATOM 684 OD1 ASN A 43 6.874 -15.746 -0.057 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.047 -16.342 -2.214 1.00 0.71 N flip ATOM 0 H ASN A 43 5.701 -13.395 0.352 1.00 0.16 H new ATOM 0 HA ASN A 43 8.469 -13.488 -0.371 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.858 -13.710 -1.914 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.426 -13.859 -2.683 1.00 0.18 H new ATOM 0 HD21 ASN A 43 7.099 -16.085 -3.200 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.078 -17.324 -1.941 1.00 0.71 H new ATOM 692 N LEU A 44 6.625 -11.044 -1.643 1.00 0.13 N ATOM 693 CA LEU A 44 6.678 -9.700 -2.206 1.00 0.12 C ATOM 694 C LEU A 44 7.498 -8.776 -1.316 1.00 0.11 C ATOM 695 O LEU A 44 8.245 -7.929 -1.803 1.00 0.12 O ATOM 696 CB LEU A 44 5.261 -9.152 -2.371 1.00 0.12 C ATOM 697 CG LEU A 44 4.331 -10.020 -3.221 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.878 -9.675 -2.943 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.650 -9.852 -4.698 1.00 0.23 C ATOM 0 H LEU A 44 5.684 -11.432 -1.575 1.00 0.13 H new ATOM 0 HA LEU A 44 7.159 -9.749 -3.183 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.817 -9.029 -1.383 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.320 -8.161 -2.820 1.00 0.12 H new ATOM 0 HG LEU A 44 4.491 -11.064 -2.952 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.231 -10.302 -3.556 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.658 -9.848 -1.890 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.701 -8.627 -3.183 1.00 0.16 H new ATOM 0 HD21 LEU A 44 3.979 -10.476 -5.288 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.518 -8.808 -4.982 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.682 -10.151 -4.884 1.00 0.23 H new ATOM 711 N LEU A 45 7.348 -8.945 -0.006 1.00 0.12 N ATOM 712 CA LEU A 45 8.089 -8.142 0.958 1.00 0.13 C ATOM 713 C LEU A 45 9.583 -8.361 0.774 1.00 0.13 C ATOM 714 O LEU A 45 10.349 -7.413 0.608 1.00 0.15 O ATOM 715 CB LEU A 45 7.693 -8.527 2.385 1.00 0.15 C ATOM 716 CG LEU A 45 7.396 -7.362 3.334 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.289 -7.865 4.764 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.465 -6.282 3.229 1.00 0.14 C ATOM 0 H LEU A 45 6.720 -9.631 0.412 1.00 0.12 H new ATOM 0 HA LEU A 45 7.851 -7.092 0.792 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.811 -9.165 2.337 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.496 -9.125 2.815 1.00 0.15 H new ATOM 0 HG LEU A 45 6.443 -6.920 3.042 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.078 -7.028 5.429 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.483 -8.596 4.833 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.229 -8.333 5.057 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.228 -5.468 3.914 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.436 -6.704 3.489 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.497 -5.900 2.209 1.00 0.14 H new ATOM 730 N ALA A 46 9.983 -9.627 0.809 1.00 0.14 N ATOM 731 CA ALA A 46 11.382 -10.000 0.643 1.00 0.15 C ATOM 732 C ALA A 46 11.902 -9.571 -0.722 1.00 0.15 C ATOM 733 O ALA A 46 13.093 -9.307 -0.891 1.00 0.20 O ATOM 734 CB ALA A 46 11.539 -11.503 0.814 1.00 0.16 C ATOM 0 H ALA A 46 9.353 -10.417 0.952 1.00 0.14 H new ATOM 0 HA ALA A 46 11.968 -9.487 1.406 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.587 -11.776 0.689 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.205 -11.793 1.810 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.938 -12.019 0.066 1.00 0.16 H new ATOM 740 N GLU A 47 10.998 -9.501 -1.692 1.00 0.13 N ATOM 741 CA GLU A 47 11.352 -9.108 -3.050 1.00 0.15 C ATOM 742 C GLU A 47 11.458 -7.594 -3.158 1.00 0.13 C ATOM 743 O GLU A 47 12.170 -7.070 -4.016 1.00 0.17 O ATOM 744 CB GLU A 47 10.313 -9.632 -4.041 1.00 0.18 C ATOM 745 CG GLU A 47 10.336 -11.141 -4.205 1.00 0.28 C ATOM 746 CD GLU A 47 9.314 -11.636 -5.210 1.00 1.24 C ATOM 747 OE1 GLU A 47 8.166 -11.913 -4.802 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.661 -11.747 -6.405 1.00 1.09 O ATOM 0 H GLU A 47 10.009 -9.713 -1.562 1.00 0.13 H new ATOM 0 HA GLU A 47 12.322 -9.543 -3.292 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.321 -9.326 -3.710 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.482 -9.167 -5.012 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.331 -11.453 -4.522 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.147 -11.610 -3.240 1.00 0.28 H new ATOM 755 N ALA A 48 10.744 -6.896 -2.284 1.00 0.10 N ATOM 756 CA ALA A 48 10.765 -5.440 -2.275 1.00 0.10 C ATOM 757 C ALA A 48 11.976 -4.932 -1.506 1.00 0.11 C ATOM 758 O ALA A 48 12.601 -3.946 -1.892 1.00 0.12 O ATOM 759 CB ALA A 48 9.481 -4.887 -1.678 1.00 0.11 C ATOM 0 H ALA A 48 10.144 -7.315 -1.573 1.00 0.10 H new ATOM 0 HA ALA A 48 10.838 -5.091 -3.305 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.518 -3.798 -1.681 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.630 -5.223 -2.271 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.373 -5.243 -0.654 1.00 0.11 H new ATOM 765 N LYS A 49 12.289 -5.609 -0.408 1.00 0.12 N ATOM 766 CA LYS A 49 13.439 -5.256 0.410 1.00 0.14 C ATOM 767 C LYS A 49 14.718 -5.550 -0.359 1.00 0.14 C ATOM 768 O LYS A 49 15.702 -4.815 -0.266 1.00 0.17 O ATOM 769 CB LYS A 49 13.412 -6.054 1.712 1.00 0.14 C ATOM 770 CG LYS A 49 12.195 -5.765 2.572 1.00 0.14 C ATOM 771 CD LYS A 49 12.175 -6.635 3.818 1.00 0.16 C ATOM 772 CE LYS A 49 11.690 -8.040 3.508 1.00 0.16 C ATOM 773 NZ LYS A 49 11.588 -8.878 4.734 1.00 0.21 N ATOM 0 H LYS A 49 11.759 -6.409 -0.064 1.00 0.12 H new ATOM 0 HA LYS A 49 13.403 -4.193 0.649 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.437 -7.118 1.478 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.313 -5.832 2.284 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.193 -4.714 2.861 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.289 -5.938 1.992 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.176 -6.681 4.247 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.527 -6.183 4.569 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.716 -7.988 3.022 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.373 -8.512 2.802 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.254 -9.829 4.478 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.523 -8.949 5.184 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 10.916 -8.442 5.398 1.00 0.21 H new ATOM 787 N LYS A 50 14.684 -6.639 -1.117 1.00 0.13 N ATOM 788 CA LYS A 50 15.817 -7.052 -1.932 1.00 0.16 C ATOM 789 C LYS A 50 16.007 -6.089 -3.097 1.00 0.16 C ATOM 790 O LYS A 50 17.118 -5.901 -3.595 1.00 0.22 O ATOM 791 CB LYS A 50 15.586 -8.471 -2.460 1.00 0.17 C ATOM 792 CG LYS A 50 16.639 -8.937 -3.455 1.00 0.52 C ATOM 793 CD LYS A 50 16.395 -10.370 -3.905 1.00 0.51 C ATOM 794 CE LYS A 50 16.551 -11.354 -2.755 1.00 1.36 C ATOM 795 NZ LYS A 50 17.884 -11.236 -2.103 1.00 2.10 N ATOM 0 H LYS A 50 13.875 -7.257 -1.183 1.00 0.13 H new ATOM 0 HA LYS A 50 16.717 -7.040 -1.317 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.565 -9.163 -1.618 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.606 -8.517 -2.935 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.636 -8.278 -4.323 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.627 -8.862 -3.001 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.392 -10.455 -4.323 1.00 0.51 H new ATOM 0 HD3 LYS A 50 17.095 -10.626 -4.701 1.00 0.51 H new ATOM 0 HE2 LYS A 50 15.769 -11.177 -2.017 1.00 1.36 H new ATOM 0 HE3 LYS A 50 16.416 -12.370 -3.125 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 18.234 -12.183 -1.855 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 18.552 -10.781 -2.758 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.799 -10.661 -1.240 1.00 2.10 H new ATOM 809 N LEU A 51 14.906 -5.481 -3.520 1.00 0.14 N ATOM 810 CA LEU A 51 14.919 -4.534 -4.626 1.00 0.15 C ATOM 811 C LEU A 51 15.322 -3.147 -4.143 1.00 0.15 C ATOM 812 O LEU A 51 16.029 -2.414 -4.836 1.00 0.18 O ATOM 813 CB LEU A 51 13.535 -4.485 -5.270 1.00 0.15 C ATOM 814 CG LEU A 51 13.421 -3.639 -6.540 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.498 -4.020 -7.547 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.039 -3.803 -7.150 1.00 0.18 C ATOM 0 H LEU A 51 13.985 -5.629 -3.109 1.00 0.14 H new ATOM 0 HA LEU A 51 15.651 -4.863 -5.363 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.229 -5.504 -5.506 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.827 -4.101 -4.536 1.00 0.15 H new ATOM 0 HG LEU A 51 13.568 -2.593 -6.273 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.395 -3.404 -8.440 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.482 -3.858 -7.106 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.389 -5.071 -7.816 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.966 -3.198 -8.054 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.874 -4.851 -7.401 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.284 -3.478 -6.434 1.00 0.18 H new ATOM 828 N ASN A 52 14.861 -2.796 -2.950 1.00 0.15 N ATOM 829 CA ASN A 52 15.171 -1.502 -2.358 1.00 0.18 C ATOM 830 C ASN A 52 16.660 -1.416 -2.060 1.00 0.17 C ATOM 831 O ASN A 52 17.248 -0.335 -2.068 1.00 0.17 O ATOM 832 CB ASN A 52 14.367 -1.299 -1.071 1.00 0.26 C ATOM 833 CG ASN A 52 14.670 0.026 -0.396 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.030 1.037 -0.675 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.647 0.026 0.504 1.00 0.21 N ATOM 0 H ASN A 52 14.269 -3.392 -2.372 1.00 0.15 H new ATOM 0 HA ASN A 52 14.901 -0.717 -3.065 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.303 -1.351 -1.300 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.584 -2.113 -0.379 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.890 0.888 0.993 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.154 -0.836 0.706 1.00 0.21 H new ATOM 842 N ASP A 53 17.262 -2.573 -1.801 1.00 0.18 N ATOM 843 CA ASP A 53 18.684 -2.644 -1.508 1.00 0.20 C ATOM 844 C ASP A 53 19.489 -2.648 -2.801 1.00 0.22 C ATOM 845 O ASP A 53 20.679 -2.328 -2.808 1.00 0.25 O ATOM 846 CB ASP A 53 18.998 -3.899 -0.689 1.00 0.23 C ATOM 847 CG ASP A 53 20.458 -3.978 -0.286 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.268 -4.487 -1.088 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.790 -3.530 0.831 1.00 0.34 O ATOM 0 H ASP A 53 16.784 -3.474 -1.789 1.00 0.18 H new ATOM 0 HA ASP A 53 18.961 -1.767 -0.923 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.376 -3.910 0.206 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.736 -4.783 -1.270 1.00 0.23 H new ATOM 854 N ALA A 54 18.827 -3.010 -3.896 1.00 0.22 N ATOM 855 CA ALA A 54 19.469 -3.055 -5.203 1.00 0.26 C ATOM 856 C ALA A 54 19.651 -1.651 -5.765 1.00 0.28 C ATOM 857 O ALA A 54 20.591 -1.387 -6.515 1.00 0.32 O ATOM 858 CB ALA A 54 18.652 -3.904 -6.164 1.00 0.27 C ATOM 0 H ALA A 54 17.843 -3.277 -3.902 1.00 0.22 H new ATOM 0 HA ALA A 54 20.454 -3.507 -5.084 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.144 -3.928 -7.136 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.570 -4.918 -5.773 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.656 -3.475 -6.272 1.00 0.27 H new ATOM 864 N GLN A 55 18.745 -0.755 -5.395 1.00 0.27 N ATOM 865 CA GLN A 55 18.795 0.625 -5.861 1.00 0.31 C ATOM 866 C GLN A 55 19.403 1.536 -4.798 1.00 0.33 C ATOM 867 O GLN A 55 19.509 2.746 -4.992 1.00 0.41 O ATOM 868 CB GLN A 55 17.389 1.105 -6.225 1.00 0.32 C ATOM 869 CG GLN A 55 16.637 0.136 -7.123 1.00 0.32 C ATOM 870 CD GLN A 55 15.251 0.630 -7.492 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.757 0.363 -8.587 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.610 1.346 -6.575 1.00 0.29 N ATOM 0 H GLN A 55 17.964 -0.960 -4.772 1.00 0.27 H new ATOM 0 HA GLN A 55 19.428 0.666 -6.748 1.00 0.31 H new ATOM 0 HB2 GLN A 55 16.817 1.260 -5.310 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.460 2.071 -6.724 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.213 -0.030 -8.034 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.552 -0.827 -6.620 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.056 1.545 -5.680 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.672 1.697 -6.766 1.00 0.29 H new ATOM 881 N ALA A 56 19.802 0.941 -3.677 1.00 0.28 N ATOM 882 CA ALA A 56 20.401 1.691 -2.581 1.00 0.31 C ATOM 883 C ALA A 56 21.695 2.375 -3.021 1.00 0.39 C ATOM 884 O ALA A 56 22.471 1.809 -3.792 1.00 0.44 O ATOM 885 CB ALA A 56 20.666 0.772 -1.398 1.00 0.29 C ATOM 0 H ALA A 56 19.720 -0.061 -3.505 1.00 0.28 H new ATOM 0 HA ALA A 56 19.697 2.466 -2.278 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.114 1.345 -0.586 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.727 0.335 -1.059 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.348 -0.023 -1.700 1.00 0.29 H new ATOM 891 N PRO A 57 21.946 3.604 -2.531 1.00 0.45 N ATOM 892 CA PRO A 57 23.140 4.362 -2.870 1.00 0.54 C ATOM 893 C PRO A 57 24.288 4.104 -1.903 1.00 0.63 C ATOM 894 O PRO A 57 24.337 3.064 -1.246 1.00 0.83 O ATOM 895 CB PRO A 57 22.662 5.808 -2.758 1.00 0.68 C ATOM 896 CG PRO A 57 21.548 5.788 -1.754 1.00 0.61 C ATOM 897 CD PRO A 57 21.083 4.355 -1.608 1.00 0.47 C ATOM 0 HA PRO A 57 23.536 4.095 -3.850 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.470 6.464 -2.434 1.00 0.68 H new ATOM 0 HB3 PRO A 57 22.315 6.182 -3.721 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.890 6.178 -0.796 1.00 0.61 H new ATOM 0 HG3 PRO A 57 20.726 6.425 -2.082 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.193 4.002 -0.583 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.030 4.248 -1.870 1.00 0.47 H new ATOM 905 N LYS A 58 25.207 5.058 -1.818 1.00 0.75 N ATOM 906 CA LYS A 58 26.358 4.934 -0.931 1.00 0.91 C ATOM 907 C LYS A 58 26.368 6.048 0.110 1.00 1.37 C ATOM 908 O LYS A 58 25.809 5.836 1.207 1.00 1.85 O ATOM 909 CB LYS A 58 27.654 4.963 -1.743 1.00 1.12 C ATOM 910 CG LYS A 58 27.719 3.894 -2.823 1.00 2.01 C ATOM 911 CD LYS A 58 29.019 3.970 -3.606 1.00 2.90 C ATOM 912 CE LYS A 58 29.045 2.957 -4.740 1.00 3.59 C ATOM 913 NZ LYS A 58 28.911 1.560 -4.240 1.00 4.27 N ATOM 914 OXT LYS A 58 26.937 7.122 -0.177 1.00 2.03 O ATOM 0 H LYS A 58 25.178 5.926 -2.352 1.00 0.75 H new ATOM 0 HA LYS A 58 26.284 3.980 -0.409 1.00 0.91 H new ATOM 0 HB2 LYS A 58 27.761 5.944 -2.207 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.500 4.837 -1.067 1.00 1.12 H new ATOM 0 HG2 LYS A 58 27.625 2.909 -2.367 1.00 2.01 H new ATOM 0 HG3 LYS A 58 26.876 4.012 -3.504 1.00 2.01 H new ATOM 0 HD2 LYS A 58 29.143 4.974 -4.011 1.00 2.90 H new ATOM 0 HD3 LYS A 58 29.860 3.790 -2.936 1.00 2.90 H new ATOM 0 HE2 LYS A 58 28.236 3.172 -5.438 1.00 3.59 H new ATOM 0 HE3 LYS A 58 29.978 3.056 -5.294 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 29.118 0.894 -5.011 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 29.580 1.405 -3.459 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 27.941 1.405 -3.900 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 11.533 9.880 -0.829 1.00 3.48 N ATOM 930 CA VAL B 101 12.096 9.956 0.542 1.00 2.61 C ATOM 931 C VAL B 101 11.010 9.729 1.591 1.00 2.18 C ATOM 932 O VAL B 101 9.828 9.966 1.338 1.00 2.41 O ATOM 933 CB VAL B 101 12.774 11.316 0.788 1.00 2.67 C ATOM 934 CG1 VAL B 101 11.733 12.396 0.996 1.00 2.50 C ATOM 935 CG2 VAL B 101 13.723 11.235 1.974 1.00 3.29 C ATOM 0 HA VAL B 101 12.845 9.169 0.631 1.00 2.61 H new ATOM 0 HB VAL B 101 13.360 11.576 -0.093 1.00 2.67 H new ATOM 0 HG11 VAL B 101 12.229 13.351 1.169 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.103 12.469 0.110 1.00 2.50 H new ATOM 0 HG13 VAL B 101 11.117 12.146 1.860 1.00 2.50 H new ATOM 0 HG21 VAL B 101 14.192 12.206 2.132 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.166 10.952 2.867 1.00 3.29 H new ATOM 0 HG23 VAL B 101 14.492 10.489 1.774 1.00 3.29 H new ATOM 947 N ASP B 102 11.419 9.264 2.769 1.00 1.82 N ATOM 948 CA ASP B 102 10.484 8.993 3.857 1.00 1.99 C ATOM 949 C ASP B 102 10.134 10.267 4.623 1.00 1.57 C ATOM 950 O ASP B 102 9.236 10.266 5.467 1.00 1.98 O ATOM 951 CB ASP B 102 11.080 7.959 4.814 1.00 2.35 C ATOM 952 CG ASP B 102 10.131 7.589 5.936 1.00 3.09 C ATOM 953 OD1 ASP B 102 9.314 6.664 5.742 1.00 3.25 O ATOM 954 OD2 ASP B 102 10.205 8.223 7.010 1.00 3.65 O ATOM 0 H ASP B 102 12.394 9.067 2.994 1.00 1.82 H new ATOM 0 HA ASP B 102 9.567 8.599 3.420 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.343 7.061 4.255 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.003 8.352 5.239 1.00 2.35 H new ATOM 959 N ASN B 103 10.840 11.353 4.324 1.00 1.11 N ATOM 960 CA ASN B 103 10.596 12.628 4.992 1.00 1.29 C ATOM 961 C ASN B 103 9.230 13.197 4.618 1.00 1.11 C ATOM 962 O ASN B 103 8.776 14.176 5.210 1.00 1.40 O ATOM 963 CB ASN B 103 11.695 13.633 4.644 1.00 1.77 C ATOM 964 CG ASN B 103 12.903 13.506 5.552 1.00 2.19 C ATOM 965 OD1 ASN B 103 13.832 12.631 5.186 1.00 2.84 O flip ATOM 966 ND2 ASN B 103 12.999 14.185 6.575 1.00 2.04 N flip ATOM 0 H ASN B 103 11.583 11.377 3.626 1.00 1.11 H new ATOM 0 HA ASN B 103 10.607 12.447 6.067 1.00 1.29 H new ATOM 0 HB2 ASN B 103 12.004 13.485 3.609 1.00 1.77 H new ATOM 0 HB3 ASN B 103 11.295 14.644 4.716 1.00 1.77 H new ATOM 0 HD21 ASN B 103 12.262 14.846 6.819 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.816 14.086 7.178 1.00 2.04 H new ATOM 973 N LYS B 104 8.580 12.582 3.634 1.00 0.91 N ATOM 974 CA LYS B 104 7.263 13.031 3.193 1.00 0.83 C ATOM 975 C LYS B 104 6.164 12.394 4.036 1.00 0.58 C ATOM 976 O LYS B 104 5.354 13.093 4.649 1.00 0.72 O ATOM 977 CB LYS B 104 7.045 12.694 1.717 1.00 0.98 C ATOM 978 CG LYS B 104 8.049 13.353 0.782 1.00 1.29 C ATOM 979 CD LYS B 104 7.603 13.266 -0.671 1.00 1.55 C ATOM 980 CE LYS B 104 7.550 11.826 -1.158 1.00 1.61 C ATOM 981 NZ LYS B 104 8.896 11.193 -1.167 1.00 2.12 N ATOM 0 H LYS B 104 8.942 11.774 3.128 1.00 0.91 H new ATOM 0 HA LYS B 104 7.219 14.113 3.319 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.099 11.613 1.589 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.039 13.000 1.429 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.176 14.399 1.062 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.021 12.873 0.894 1.00 1.29 H new ATOM 0 HD2 LYS B 104 6.619 13.723 -0.778 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.289 13.837 -1.297 1.00 1.55 H new ATOM 0 HE2 LYS B 104 6.883 11.250 -0.517 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.129 11.798 -2.163 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 8.917 10.431 -1.875 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 9.614 11.907 -1.405 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 9.100 10.798 -0.227 1.00 2.12 H new ATOM 995 N PHE B 105 6.140 11.065 4.061 1.00 0.46 N ATOM 996 CA PHE B 105 5.142 10.331 4.830 1.00 0.37 C ATOM 997 C PHE B 105 5.780 9.652 6.039 1.00 0.57 C ATOM 998 O PHE B 105 6.803 8.977 5.916 1.00 1.14 O ATOM 999 CB PHE B 105 4.440 9.297 3.943 1.00 0.49 C ATOM 1000 CG PHE B 105 5.374 8.352 3.240 1.00 0.71 C ATOM 1001 CD1 PHE B 105 6.013 8.727 2.068 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.607 7.085 3.748 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.867 7.858 1.418 1.00 1.10 C ATOM 1004 CE2 PHE B 105 6.459 6.210 3.104 1.00 1.19 C ATOM 1005 CZ PHE B 105 7.090 6.597 1.937 1.00 1.19 C ATOM 0 H PHE B 105 6.801 10.474 3.557 1.00 0.46 H new ATOM 0 HA PHE B 105 4.399 11.042 5.192 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.749 8.718 4.556 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.842 9.821 3.197 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.841 9.711 1.658 1.00 0.86 H new ATOM 0 HD2 PHE B 105 5.116 6.777 4.659 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.359 8.163 0.506 1.00 1.10 H new ATOM 0 HE2 PHE B 105 6.632 5.225 3.512 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.757 5.914 1.431 1.00 1.19 H new ATOM 1015 N ASN B 106 5.169 9.836 7.208 1.00 0.51 N ATOM 1016 CA ASN B 106 5.684 9.248 8.442 1.00 0.67 C ATOM 1017 C ASN B 106 4.722 8.200 8.994 1.00 0.67 C ATOM 1018 O ASN B 106 4.933 7.000 8.822 1.00 0.82 O ATOM 1019 CB ASN B 106 5.918 10.339 9.491 1.00 0.81 C ATOM 1020 CG ASN B 106 6.065 11.714 8.871 1.00 0.84 C ATOM 1021 OD1 ASN B 106 7.168 12.141 8.528 1.00 1.17 O ATOM 1022 ND2 ASN B 106 4.946 12.416 8.722 1.00 0.78 N ATOM 0 H ASN B 106 4.318 10.387 7.326 1.00 0.51 H new ATOM 0 HA ASN B 106 6.631 8.760 8.212 1.00 0.67 H new ATOM 0 HB2 ASN B 106 5.085 10.348 10.194 1.00 0.81 H new ATOM 0 HB3 ASN B 106 6.816 10.103 10.063 1.00 0.81 H new ATOM 0 HD21 ASN B 106 4.980 13.348 8.309 1.00 0.78 H new ATOM 0 HD22 ASN B 106 4.054 12.023 9.021 1.00 0.78 H new ATOM 1029 N LYS B 107 3.668 8.662 9.658 1.00 0.62 N ATOM 1030 CA LYS B 107 2.672 7.768 10.235 1.00 0.63 C ATOM 1031 C LYS B 107 1.280 8.123 9.735 1.00 0.54 C ATOM 1032 O LYS B 107 0.601 7.302 9.120 1.00 0.45 O ATOM 1033 CB LYS B 107 2.702 7.855 11.760 1.00 0.79 C ATOM 1034 CG LYS B 107 1.650 6.991 12.432 1.00 0.80 C ATOM 1035 CD LYS B 107 1.587 7.238 13.932 1.00 1.00 C ATOM 1036 CE LYS B 107 1.104 8.646 14.250 1.00 1.07 C ATOM 1037 NZ LYS B 107 2.231 9.614 14.347 1.00 1.78 N ATOM 0 H LYS B 107 3.482 9.653 9.810 1.00 0.62 H new ATOM 0 HA LYS B 107 2.911 6.750 9.927 1.00 0.63 H new ATOM 0 HB2 LYS B 107 3.688 7.556 12.115 1.00 0.79 H new ATOM 0 HB3 LYS B 107 2.556 8.893 12.061 1.00 0.79 H new ATOM 0 HG2 LYS B 107 0.675 7.195 11.989 1.00 0.80 H new ATOM 0 HG3 LYS B 107 1.871 5.940 12.246 1.00 0.80 H new ATOM 0 HD2 LYS B 107 0.918 6.511 14.393 1.00 1.00 H new ATOM 0 HD3 LYS B 107 2.574 7.085 14.368 1.00 1.00 H new ATOM 0 HE2 LYS B 107 0.410 8.974 13.477 1.00 1.07 H new ATOM 0 HE3 LYS B 107 0.553 8.636 15.190 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 2.175 10.122 15.253 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 3.134 9.102 14.293 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 2.172 10.295 13.564 1.00 1.78 H new ATOM 1051 N GLU B 108 0.865 9.353 10.025 1.00 0.61 N ATOM 1052 CA GLU B 108 -0.444 9.855 9.611 1.00 0.62 C ATOM 1053 C GLU B 108 -0.779 9.423 8.186 1.00 0.49 C ATOM 1054 O GLU B 108 -1.930 9.118 7.873 1.00 0.53 O ATOM 1055 CB GLU B 108 -0.475 11.380 9.708 1.00 0.74 C ATOM 1056 CG GLU B 108 -0.449 11.897 11.135 1.00 0.87 C ATOM 1057 CD GLU B 108 -0.524 13.409 11.207 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -1.651 13.946 11.273 1.00 1.16 O ATOM 1059 OE2 GLU B 108 0.543 14.058 11.198 1.00 1.37 O ATOM 0 H GLU B 108 1.422 10.027 10.550 1.00 0.61 H new ATOM 0 HA GLU B 108 -1.192 9.431 10.281 1.00 0.62 H new ATOM 0 HB2 GLU B 108 0.379 11.788 9.167 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -1.373 11.749 9.212 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -1.285 11.468 11.688 1.00 0.87 H new ATOM 0 HG3 GLU B 108 0.464 11.558 11.624 1.00 0.87 H new ATOM 1066 N THR B 109 0.234 9.402 7.329 1.00 0.39 N ATOM 1067 CA THR B 109 0.053 9.007 5.939 1.00 0.28 C ATOM 1068 C THR B 109 -0.136 7.498 5.814 1.00 0.25 C ATOM 1069 O THR B 109 -1.011 7.031 5.085 1.00 0.27 O ATOM 1070 CB THR B 109 1.257 9.433 5.079 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.436 10.852 5.156 1.00 0.33 O ATOM 1072 CG2 THR B 109 1.063 9.021 3.628 1.00 0.27 C ATOM 0 H THR B 109 1.191 9.655 7.574 1.00 0.39 H new ATOM 0 HA THR B 109 -0.843 9.512 5.579 1.00 0.28 H new ATOM 0 HB THR B 109 2.144 8.932 5.466 1.00 0.25 H new ATOM 0 HG1 THR B 109 2.205 11.115 4.608 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.927 9.334 3.042 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.957 7.938 3.568 1.00 0.27 H new ATOM 0 HG23 THR B 109 0.165 9.496 3.232 1.00 0.27 H new ATOM 1080 N GLN B 110 0.692 6.743 6.529 1.00 0.30 N ATOM 1081 CA GLN B 110 0.619 5.286 6.499 1.00 0.32 C ATOM 1082 C GLN B 110 -0.751 4.791 6.945 1.00 0.30 C ATOM 1083 O GLN B 110 -1.206 3.731 6.514 1.00 0.30 O ATOM 1084 CB GLN B 110 1.706 4.676 7.383 1.00 0.42 C ATOM 1085 CG GLN B 110 3.103 4.789 6.792 1.00 0.48 C ATOM 1086 CD GLN B 110 4.183 4.220 7.698 1.00 0.85 C ATOM 1087 OE1 GLN B 110 5.319 4.694 7.693 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.840 3.196 8.473 1.00 1.38 N ATOM 0 H GLN B 110 1.422 7.116 7.136 1.00 0.30 H new ATOM 0 HA GLN B 110 0.778 4.969 5.468 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.691 5.168 8.356 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.476 3.624 7.554 1.00 0.42 H new ATOM 0 HG2 GLN B 110 3.129 4.268 5.835 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.322 5.838 6.590 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.887 2.833 8.447 1.00 1.38 H new ATOM 0 HE22 GLN B 110 4.530 2.773 9.094 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.411 5.558 7.809 1.00 0.30 N ATOM 1098 CA GLU B 111 -2.729 5.180 8.297 1.00 0.30 C ATOM 1099 C GLU B 111 -3.713 5.170 7.143 1.00 0.28 C ATOM 1100 O GLU B 111 -4.355 4.159 6.867 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.200 6.145 9.387 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.188 6.340 10.503 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.741 7.152 11.657 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -2.678 8.398 11.590 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -3.237 6.545 12.628 1.00 1.04 O ATOM 0 H GLU B 111 -1.056 6.438 8.182 1.00 0.30 H new ATOM 0 HA GLU B 111 -2.671 4.182 8.731 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.421 7.112 8.935 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.132 5.772 9.813 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.866 5.366 10.871 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -1.304 6.838 10.104 1.00 0.38 H new ATOM 1112 N ALA B 112 -3.812 6.307 6.465 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.699 6.437 5.321 1.00 0.17 C ATOM 1114 C ALA B 112 -4.339 5.407 4.255 1.00 0.13 C ATOM 1115 O ALA B 112 -5.203 4.932 3.517 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.617 7.845 4.760 1.00 0.17 C ATOM 0 H ALA B 112 -3.287 7.152 6.690 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.724 6.251 5.641 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.284 7.935 3.903 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -4.914 8.560 5.527 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.594 8.053 4.446 1.00 0.17 H new ATOM 1122 N SER B 113 -3.052 5.070 4.184 1.00 0.13 N ATOM 1123 CA SER B 113 -2.570 4.083 3.226 1.00 0.11 C ATOM 1124 C SER B 113 -3.183 2.721 3.526 1.00 0.10 C ATOM 1125 O SER B 113 -3.578 1.990 2.619 1.00 0.12 O ATOM 1126 CB SER B 113 -1.043 3.991 3.278 1.00 0.15 C ATOM 1127 OG SER B 113 -0.443 5.245 3.001 1.00 0.92 O ATOM 0 H SER B 113 -2.326 5.468 4.780 1.00 0.13 H new ATOM 0 HA SER B 113 -2.868 4.395 2.225 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.730 3.645 4.263 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.696 3.252 2.556 1.00 0.15 H new ATOM 0 HG SER B 113 -0.642 5.871 3.728 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.266 2.392 4.811 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.834 1.122 5.238 1.00 0.10 C ATOM 1135 C TRP B 114 -5.316 1.050 4.887 1.00 0.12 C ATOM 1136 O TRP B 114 -5.767 0.085 4.274 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.637 0.931 6.742 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.128 -0.393 7.242 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -5.036 -0.606 8.239 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.739 -1.688 6.769 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.235 -1.954 8.416 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.451 -2.639 7.525 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.859 -2.138 5.779 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.311 -4.009 7.321 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.722 -3.498 5.579 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.444 -4.420 6.347 1.00 0.23 C ATOM 0 H TRP B 114 -2.946 2.989 5.574 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.316 0.320 4.712 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.577 1.030 6.978 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.158 1.728 7.273 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.526 0.172 8.806 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.864 -2.376 9.099 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.297 -1.435 5.182 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.868 -4.722 7.911 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.046 -3.857 4.817 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.313 -5.477 6.166 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.068 2.077 5.280 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.500 2.132 4.999 1.00 0.18 C ATOM 1159 C GLU B 115 -7.778 1.862 3.523 1.00 0.19 C ATOM 1160 O GLU B 115 -8.746 1.187 3.174 1.00 0.33 O ATOM 1161 CB GLU B 115 -8.069 3.498 5.391 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.310 3.661 6.876 1.00 0.31 C ATOM 1163 CD GLU B 115 -7.028 3.735 7.680 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -6.449 2.667 7.971 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -6.601 4.859 8.018 1.00 1.80 O ATOM 0 H GLU B 115 -5.709 2.882 5.794 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.987 1.358 5.592 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.382 4.276 5.057 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.009 3.654 4.861 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -8.892 4.567 7.047 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.910 2.825 7.235 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.921 2.396 2.660 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.065 2.212 1.221 1.00 0.12 C ATOM 1174 C ILE B 116 -6.845 0.754 0.828 1.00 0.10 C ATOM 1175 O ILE B 116 -7.502 0.238 -0.076 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.067 3.109 0.455 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.484 4.576 0.573 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -5.971 2.692 -1.007 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.385 5.549 0.208 1.00 0.11 C ATOM 0 H ILE B 116 -6.117 2.961 2.933 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.083 2.497 0.953 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.080 2.988 0.901 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.344 4.754 -0.072 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.807 4.772 1.595 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.262 3.339 -1.524 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.631 1.658 -1.069 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -6.951 2.780 -1.476 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.752 6.570 0.315 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.532 5.399 0.870 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.078 5.380 -0.824 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.923 0.098 1.520 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.598 -1.297 1.245 1.00 0.09 C ATOM 1193 C PHE B 117 -6.621 -2.248 1.865 1.00 0.11 C ATOM 1194 O PHE B 117 -6.790 -3.376 1.402 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.203 -1.613 1.787 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.634 -2.913 1.291 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -2.881 -2.955 0.130 1.00 0.11 C ATOM 1198 CD2 PHE B 117 -3.861 -4.093 1.982 1.00 0.19 C ATOM 1199 CE1 PHE B 117 -2.363 -4.149 -0.333 1.00 0.13 C ATOM 1200 CE2 PHE B 117 -3.346 -5.290 1.523 1.00 0.23 C ATOM 1201 CZ PHE B 117 -2.571 -5.313 0.382 1.00 0.20 C ATOM 0 H PHE B 117 -5.384 0.512 2.280 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.620 -1.442 0.165 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.526 -0.804 1.513 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.245 -1.638 2.876 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -2.696 -2.044 -0.420 1.00 0.11 H new ATOM 0 HD2 PHE B 117 -4.447 -4.076 2.889 1.00 0.19 H new ATOM 0 HE1 PHE B 117 -1.796 -4.173 -1.252 1.00 0.13 H new ATOM 0 HE2 PHE B 117 -3.550 -6.206 2.057 1.00 0.23 H new ATOM 0 HZ PHE B 117 -2.127 -6.239 0.048 1.00 0.20 H new ATOM 1211 N THR B 118 -7.306 -1.788 2.909 1.00 0.12 N ATOM 1212 CA THR B 118 -8.296 -2.615 3.595 1.00 0.16 C ATOM 1213 C THR B 118 -9.577 -2.764 2.781 1.00 0.18 C ATOM 1214 O THR B 118 -10.377 -3.664 3.037 1.00 0.34 O ATOM 1215 CB THR B 118 -8.646 -2.045 4.983 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.175 -0.721 4.854 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.419 -2.023 5.880 1.00 0.20 C ATOM 0 H THR B 118 -7.195 -0.851 3.297 1.00 0.12 H new ATOM 0 HA THR B 118 -7.839 -3.597 3.715 1.00 0.16 H new ATOM 0 HB THR B 118 -9.399 -2.690 5.437 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.960 -0.368 3.966 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.688 -1.617 6.855 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.039 -3.037 6.002 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.649 -1.399 5.427 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.772 -1.883 1.805 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.962 -1.935 0.963 1.00 0.14 C ATOM 1227 C LEU B 119 -10.972 -3.227 0.141 1.00 0.15 C ATOM 1228 O LEU B 119 -10.155 -3.398 -0.763 1.00 0.24 O ATOM 1229 CB LEU B 119 -11.013 -0.712 0.048 1.00 0.16 C ATOM 1230 CG LEU B 119 -11.099 0.628 0.783 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.828 1.782 -0.168 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.461 0.794 1.442 1.00 1.01 C ATOM 0 H LEU B 119 -9.125 -1.128 1.578 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.847 -1.926 1.600 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.125 -0.709 -0.583 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.874 -0.805 -0.614 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.336 0.636 1.561 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.894 2.725 0.375 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.829 1.677 -0.592 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.566 1.773 -0.970 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.501 1.753 1.959 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.240 0.760 0.681 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.619 -0.011 2.159 1.00 1.01 H new ATOM 1244 N PRO B 120 -11.906 -4.152 0.442 1.00 0.21 N ATOM 1245 CA PRO B 120 -11.998 -5.445 -0.251 1.00 0.26 C ATOM 1246 C PRO B 120 -12.481 -5.326 -1.693 1.00 0.26 C ATOM 1247 O PRO B 120 -12.063 -6.094 -2.559 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.014 -6.224 0.587 1.00 0.36 C ATOM 1249 CG PRO B 120 -13.860 -5.178 1.224 1.00 0.38 C ATOM 1250 CD PRO B 120 -12.955 -4.002 1.469 1.00 0.35 C ATOM 0 HA PRO B 120 -11.021 -5.922 -0.330 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.611 -6.892 -0.034 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.519 -6.843 1.335 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.692 -4.901 0.576 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.290 -5.540 2.158 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.488 -3.057 1.363 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.537 -4.021 2.475 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.362 -4.365 -1.947 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.895 -4.167 -3.289 1.00 0.23 C ATOM 1260 C ASN B 121 -12.809 -3.675 -4.239 1.00 0.19 C ATOM 1261 O ASN B 121 -12.864 -3.928 -5.444 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.062 -3.180 -3.256 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.179 -3.646 -2.342 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -16.888 -2.698 -1.741 1.00 0.98 O flip ATOM 1265 ND2 ASN B 121 -16.400 -4.846 -2.176 1.00 0.50 N flip ATOM 0 H ASN B 121 -13.720 -3.715 -1.247 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.258 -5.127 -3.657 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.703 -2.207 -2.922 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.452 -3.047 -4.265 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -15.830 -5.541 -2.658 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -17.153 -5.145 -1.556 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.820 -2.972 -3.694 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.717 -2.459 -4.495 1.00 0.13 C ATOM 1274 C LEU B 122 -9.616 -3.496 -4.649 1.00 0.16 C ATOM 1275 O LEU B 122 -9.143 -4.068 -3.666 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.146 -1.188 -3.865 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.686 0.118 -4.447 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.194 0.046 -4.610 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.298 1.292 -3.565 1.00 0.19 C ATOM 0 H LEU B 122 -11.761 -2.746 -2.701 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.108 -2.225 -5.485 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.354 -1.205 -2.795 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.062 -1.199 -3.979 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.243 0.267 -5.432 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.560 0.985 -5.026 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.449 -0.773 -5.283 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.657 -0.126 -3.638 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.690 2.214 -3.994 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.713 1.150 -2.567 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.212 1.355 -3.500 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.211 -3.733 -5.891 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.154 -4.697 -6.173 1.00 0.20 C ATOM 1293 C ASN B 123 -6.786 -4.071 -5.935 1.00 0.19 C ATOM 1294 O ASN B 123 -6.686 -2.946 -5.446 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.254 -5.210 -7.611 1.00 0.28 C ATOM 1296 CG ASN B 123 -8.144 -4.100 -8.636 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -9.148 -3.533 -9.062 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -6.919 -3.785 -9.039 1.00 1.39 N ATOM 0 H ASN B 123 -9.596 -3.273 -6.716 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.278 -5.542 -5.496 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.465 -5.941 -7.787 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -9.204 -5.728 -7.743 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -6.783 -3.046 -9.729 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -6.113 -4.282 -8.659 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.735 -4.802 -6.289 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.385 -4.305 -6.097 1.00 0.11 C ATOM 1307 C GLY B 124 -4.094 -3.046 -6.894 1.00 0.11 C ATOM 1308 O GLY B 124 -3.621 -2.056 -6.344 1.00 0.17 O ATOM 0 H GLY B 124 -5.794 -5.731 -6.706 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.226 -4.102 -5.038 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.675 -5.081 -6.383 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.367 -3.087 -8.192 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.123 -1.955 -9.065 1.00 0.14 C ATOM 1314 C ARG B 125 -4.893 -0.710 -8.635 1.00 0.12 C ATOM 1315 O ARG B 125 -4.422 0.411 -8.826 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.492 -2.343 -10.491 1.00 0.20 C ATOM 1317 CG ARG B 125 -3.299 -2.774 -11.305 1.00 0.58 C ATOM 1318 CD ARG B 125 -2.741 -1.619 -12.094 1.00 0.90 C ATOM 1319 NE ARG B 125 -1.635 -2.020 -12.958 1.00 1.75 N ATOM 1320 CZ ARG B 125 -1.091 -1.227 -13.876 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -1.543 0.010 -14.040 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -0.094 -1.667 -14.629 1.00 3.25 N ATOM 0 H ARG B 125 -4.761 -3.902 -8.663 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.065 -1.701 -9.004 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.221 -3.153 -10.465 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.974 -1.496 -10.980 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -2.529 -3.175 -10.645 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -3.587 -3.577 -11.983 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -3.533 -1.181 -12.701 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -2.400 -0.844 -11.407 1.00 0.90 H new ATOM 0 HE ARG B 125 -1.258 -2.962 -12.851 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -2.309 0.354 -13.461 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -1.124 0.617 -14.745 1.00 1.82 H new ATOM 0 HH21 ARG B 125 0.258 -2.616 -14.505 1.00 3.25 H new ATOM 0 HH22 ARG B 125 0.322 -1.057 -15.333 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.070 -0.903 -8.054 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.884 0.223 -7.610 1.00 0.11 C ATOM 1338 C GLN B 126 -6.321 0.835 -6.330 1.00 0.09 C ATOM 1339 O GLN B 126 -6.152 2.051 -6.241 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.335 -0.213 -7.401 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.059 -0.532 -8.699 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.505 -0.913 -8.490 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.133 -0.299 -7.501 1.00 0.77 O flip ATOM 1344 NE2 GLN B 126 -11.057 -1.736 -9.220 1.00 0.64 N flip ATOM 0 H GLN B 126 -6.481 -1.820 -7.880 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.859 0.985 -8.389 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.354 -1.092 -6.757 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -8.873 0.577 -6.878 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -9.009 0.334 -9.359 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.543 -1.348 -9.205 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.532 -2.185 -9.971 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.039 -1.969 -9.074 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.024 -0.009 -5.348 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.478 0.460 -4.076 1.00 0.08 C ATOM 1355 C VAL B 127 -4.072 1.036 -4.251 1.00 0.08 C ATOM 1356 O VAL B 127 -3.783 2.129 -3.768 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.448 -0.666 -3.019 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.855 -1.156 -2.720 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.567 -1.820 -3.475 1.00 0.10 C ATOM 0 H VAL B 127 -6.151 -1.019 -5.406 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.141 1.250 -3.723 1.00 0.08 H new ATOM 0 HB VAL B 127 -5.022 -0.257 -2.103 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.813 -1.949 -1.973 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.455 -0.330 -2.338 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.308 -1.541 -3.633 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.564 -2.599 -2.712 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -4.956 -2.228 -4.408 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.550 -1.461 -3.632 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.207 0.307 -4.958 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.833 0.752 -5.184 1.00 0.10 C ATOM 1371 C ALA B 128 -1.808 2.116 -5.859 1.00 0.10 C ATOM 1372 O ALA B 128 -0.799 2.820 -5.828 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.069 -0.272 -6.016 1.00 0.10 C ATOM 0 H ALA B 128 -3.434 -0.592 -5.383 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.343 0.845 -4.215 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.048 0.076 -6.174 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.049 -1.226 -5.490 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.562 -0.399 -6.980 1.00 0.10 H new ATOM 1379 N ALA B 129 -2.929 2.485 -6.466 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.047 3.770 -7.141 1.00 0.09 C ATOM 1381 C ALA B 129 -3.363 4.868 -6.135 1.00 0.09 C ATOM 1382 O ALA B 129 -2.869 5.991 -6.246 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.122 3.706 -8.215 1.00 0.10 C ATOM 0 H ALA B 129 -3.771 1.911 -6.504 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.095 4.002 -7.619 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.199 4.674 -8.711 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -3.860 2.943 -8.947 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.079 3.456 -7.757 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.192 4.532 -5.151 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.575 5.477 -4.111 1.00 0.08 C ATOM 1391 C PHE B 130 -3.448 5.640 -3.093 1.00 0.09 C ATOM 1392 O PHE B 130 -3.391 6.632 -2.368 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.856 5.012 -3.417 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.101 5.232 -4.231 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.632 6.504 -4.389 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.739 4.165 -4.841 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.774 6.703 -5.141 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.880 4.359 -5.593 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.398 5.629 -5.745 1.00 0.16 C ATOM 0 H PHE B 130 -4.612 3.608 -5.053 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.762 6.445 -4.576 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.768 3.951 -3.185 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.956 5.539 -2.468 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.148 7.347 -3.919 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.339 3.168 -4.727 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.178 7.698 -5.256 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.367 3.517 -6.062 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.289 5.783 -6.335 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.551 4.655 -3.045 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.416 4.698 -2.130 1.00 0.09 C ATOM 1411 C ILE B 131 -0.349 5.630 -2.676 1.00 0.10 C ATOM 1412 O ILE B 131 0.108 6.540 -1.991 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.789 3.303 -1.921 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.841 2.308 -1.420 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.376 3.391 -0.943 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.281 2.547 0.007 1.00 0.13 C ATOM 0 H ILE B 131 -2.590 3.820 -3.629 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.789 5.058 -1.171 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.412 2.944 -2.879 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.713 2.358 -2.072 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.439 1.298 -1.502 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.810 2.401 -0.804 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.134 4.067 -1.340 1.00 0.12 H new ATOM 0 HG23 ILE B 131 0.019 3.769 0.015 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.026 1.802 0.288 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.420 2.467 0.671 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.714 3.544 0.092 1.00 0.13 H new ATOM 1428 N SER B 132 0.031 5.394 -3.926 1.00 0.11 N ATOM 1429 CA SER B 132 1.046 6.203 -4.591 1.00 0.13 C ATOM 1430 C SER B 132 0.738 7.689 -4.458 1.00 0.15 C ATOM 1431 O SER B 132 1.579 8.468 -4.013 1.00 0.21 O ATOM 1432 CB SER B 132 1.129 5.824 -6.069 1.00 0.17 C ATOM 1433 OG SER B 132 2.155 6.546 -6.727 1.00 0.63 O ATOM 0 H SER B 132 -0.351 4.644 -4.503 1.00 0.11 H new ATOM 0 HA SER B 132 2.004 6.007 -4.110 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.316 4.754 -6.163 1.00 0.17 H new ATOM 0 HB3 SER B 132 0.173 6.024 -6.552 1.00 0.17 H new ATOM 0 HG SER B 132 2.743 6.959 -6.061 1.00 0.63 H new ATOM 1439 N SER B 133 -0.471 8.071 -4.853 1.00 0.15 N ATOM 1440 CA SER B 133 -0.899 9.465 -4.776 1.00 0.19 C ATOM 1441 C SER B 133 -0.792 9.991 -3.348 1.00 0.18 C ATOM 1442 O SER B 133 -0.574 11.183 -3.128 1.00 0.26 O ATOM 1443 CB SER B 133 -2.344 9.599 -5.256 1.00 0.23 C ATOM 1444 OG SER B 133 -2.661 10.949 -5.544 1.00 0.74 O ATOM 0 H SER B 133 -1.174 7.435 -5.230 1.00 0.15 H new ATOM 0 HA SER B 133 -0.243 10.053 -5.418 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.493 8.989 -6.147 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.021 9.218 -4.492 1.00 0.23 H new ATOM 0 HG SER B 133 -3.443 10.983 -6.134 1.00 0.74 H new ATOM 1450 N LEU B 134 -0.950 9.091 -2.386 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.891 9.451 -0.974 1.00 0.13 C ATOM 1452 C LEU B 134 0.528 9.795 -0.550 1.00 0.15 C ATOM 1453 O LEU B 134 0.770 10.804 0.110 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.410 8.292 -0.126 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.457 8.664 0.920 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.807 7.452 1.765 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.957 9.801 1.796 1.00 0.20 C ATOM 0 H LEU B 134 -1.121 8.100 -2.559 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.515 10.331 -0.823 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.836 7.540 -0.790 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.564 7.827 0.381 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.357 9.001 0.407 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.555 7.730 2.508 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.206 6.665 1.125 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.912 7.090 2.270 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.717 10.052 2.536 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.043 9.494 2.305 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.751 10.674 1.177 1.00 0.20 H new ATOM 1469 N LEU B 135 1.456 8.942 -0.942 1.00 0.17 N ATOM 1470 CA LEU B 135 2.860 9.112 -0.607 1.00 0.22 C ATOM 1471 C LEU B 135 3.500 10.194 -1.463 1.00 0.24 C ATOM 1472 O LEU B 135 4.493 10.810 -1.074 1.00 0.31 O ATOM 1473 CB LEU B 135 3.563 7.776 -0.804 1.00 0.26 C ATOM 1474 CG LEU B 135 2.736 6.575 -0.340 1.00 0.31 C ATOM 1475 CD1 LEU B 135 3.477 5.275 -0.569 1.00 0.67 C ATOM 1476 CD2 LEU B 135 2.347 6.725 1.123 1.00 0.65 C ATOM 0 H LEU B 135 1.259 8.112 -1.501 1.00 0.17 H new ATOM 0 HA LEU B 135 2.954 9.430 0.431 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.805 7.654 -1.860 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.508 7.788 -0.260 1.00 0.26 H new ATOM 0 HG LEU B 135 1.825 6.546 -0.937 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.863 4.441 -0.229 1.00 0.67 H new ATOM 0 HD12 LEU B 135 3.689 5.160 -1.632 1.00 0.67 H new ATOM 0 HD13 LEU B 135 4.413 5.287 -0.011 1.00 0.67 H new ATOM 0 HD21 LEU B 135 1.760 5.861 1.434 1.00 0.65 H new ATOM 0 HD22 LEU B 135 3.247 6.790 1.734 1.00 0.65 H new ATOM 0 HD23 LEU B 135 1.755 7.631 1.251 1.00 0.65 H new ATOM 1488 N ASP B 136 2.917 10.418 -2.629 1.00 0.22 N ATOM 1489 CA ASP B 136 3.409 11.429 -3.556 1.00 0.26 C ATOM 1490 C ASP B 136 2.764 12.780 -3.263 1.00 0.25 C ATOM 1491 O ASP B 136 3.284 13.826 -3.652 1.00 0.29 O ATOM 1492 CB ASP B 136 3.116 11.014 -4.999 1.00 0.29 C ATOM 1493 CG ASP B 136 3.741 11.954 -6.010 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.930 11.763 -6.344 1.00 0.47 O ATOM 1495 OD2 ASP B 136 3.044 12.884 -6.467 1.00 0.40 O ATOM 0 H ASP B 136 2.096 9.910 -2.960 1.00 0.22 H new ATOM 0 HA ASP B 136 4.487 11.519 -3.426 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.490 10.004 -5.167 1.00 0.29 H new ATOM 0 HB3 ASP B 136 2.037 10.984 -5.153 1.00 0.29 H new ATOM 1500 N ASP B 137 1.628 12.745 -2.573 1.00 0.24 N ATOM 1501 CA ASP B 137 0.900 13.960 -2.220 1.00 0.27 C ATOM 1502 C ASP B 137 0.116 13.759 -0.923 1.00 0.22 C ATOM 1503 O ASP B 137 -1.113 13.685 -0.937 1.00 0.24 O ATOM 1504 CB ASP B 137 -0.054 14.361 -3.349 1.00 0.38 C ATOM 1505 CG ASP B 137 0.674 14.694 -4.637 1.00 1.19 C ATOM 1506 OD1 ASP B 137 1.199 15.821 -4.749 1.00 1.42 O ATOM 1507 OD2 ASP B 137 0.717 13.827 -5.535 1.00 2.13 O ATOM 0 H ASP B 137 1.190 11.884 -2.246 1.00 0.24 H new ATOM 0 HA ASP B 137 1.626 14.760 -2.071 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.756 13.548 -3.533 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.641 15.224 -3.034 1.00 0.38 H new ATOM 1512 N PRO B 138 0.821 13.664 0.220 1.00 0.19 N ATOM 1513 CA PRO B 138 0.186 13.466 1.529 1.00 0.21 C ATOM 1514 C PRO B 138 -0.833 14.553 1.861 1.00 0.22 C ATOM 1515 O PRO B 138 -1.600 14.424 2.814 1.00 0.31 O ATOM 1516 CB PRO B 138 1.359 13.515 2.513 1.00 0.24 C ATOM 1517 CG PRO B 138 2.560 13.184 1.695 1.00 0.25 C ATOM 1518 CD PRO B 138 2.290 13.738 0.326 1.00 0.23 C ATOM 0 HA PRO B 138 -0.377 12.533 1.563 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.451 14.501 2.969 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.224 12.800 3.324 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.459 13.625 2.125 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.721 12.107 1.656 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.650 14.762 0.227 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.780 13.151 -0.451 1.00 0.23 H new ATOM 1526 N SER B 139 -0.835 15.623 1.072 1.00 0.20 N ATOM 1527 CA SER B 139 -1.757 16.727 1.282 1.00 0.22 C ATOM 1528 C SER B 139 -3.194 16.297 0.999 1.00 0.19 C ATOM 1529 O SER B 139 -4.112 16.640 1.743 1.00 0.19 O ATOM 1530 CB SER B 139 -1.374 17.899 0.383 1.00 0.28 C ATOM 1531 OG SER B 139 -0.091 18.401 0.718 1.00 1.15 O ATOM 0 H SER B 139 -0.205 15.746 0.279 1.00 0.20 H new ATOM 0 HA SER B 139 -1.693 17.037 2.325 1.00 0.22 H new ATOM 0 HB2 SER B 139 -1.382 17.580 -0.659 1.00 0.28 H new ATOM 0 HB3 SER B 139 -2.115 18.693 0.479 1.00 0.28 H new ATOM 0 HG SER B 139 0.132 19.150 0.127 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.379 15.544 -0.080 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.703 15.067 -0.462 1.00 0.17 C ATOM 1539 C GLN B 140 -4.999 13.719 0.177 1.00 0.15 C ATOM 1540 O GLN B 140 -5.852 12.980 -0.297 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.814 14.937 -1.980 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.710 16.258 -2.721 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.786 17.245 -2.312 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.866 17.283 -2.901 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.495 18.053 -1.298 1.00 1.37 N ATOM 0 H GLN B 140 -2.629 15.251 -0.706 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.430 15.798 -0.108 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.029 14.270 -2.336 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.767 14.468 -2.226 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.730 16.698 -2.536 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.779 16.075 -3.793 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.587 17.987 -0.838 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.180 18.739 -0.980 1.00 1.37 H new ATOM 1554 N SER B 141 -4.284 13.411 1.249 1.00 0.15 N ATOM 1555 CA SER B 141 -4.455 12.143 1.956 1.00 0.13 C ATOM 1556 C SER B 141 -5.926 11.825 2.207 1.00 0.13 C ATOM 1557 O SER B 141 -6.441 10.820 1.721 1.00 0.18 O ATOM 1558 CB SER B 141 -3.701 12.178 3.287 1.00 0.15 C ATOM 1559 OG SER B 141 -3.901 10.981 4.019 1.00 1.01 O ATOM 0 H SER B 141 -3.575 14.023 1.653 1.00 0.15 H new ATOM 0 HA SER B 141 -4.046 11.357 1.321 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.636 12.321 3.102 1.00 0.15 H new ATOM 0 HB3 SER B 141 -4.039 13.030 3.877 1.00 0.15 H new ATOM 0 HG SER B 141 -3.059 10.712 4.442 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.595 12.683 2.968 1.00 0.16 N ATOM 1566 CA ALA B 142 -8.003 12.480 3.288 1.00 0.17 C ATOM 1567 C ALA B 142 -8.872 12.463 2.037 1.00 0.17 C ATOM 1568 O ALA B 142 -9.938 11.849 2.026 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.486 13.557 4.249 1.00 0.20 C ATOM 0 H ALA B 142 -6.186 13.525 3.374 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.094 11.505 3.766 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.539 13.393 4.479 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.902 13.513 5.168 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.364 14.537 3.788 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.417 13.135 0.983 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.175 13.185 -0.260 1.00 0.18 C ATOM 1577 C ASN B 143 -8.935 11.924 -1.076 1.00 0.16 C ATOM 1578 O ASN B 143 -9.793 11.487 -1.838 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.789 14.415 -1.076 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.943 15.705 -0.294 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.881 16.111 0.392 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -10.004 16.328 -0.306 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.535 13.648 0.966 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.234 13.250 -0.012 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.755 14.317 -1.408 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.408 14.461 -1.972 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.795 15.979 -0.848 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.093 17.194 0.226 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.756 11.350 -0.896 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.363 10.142 -1.599 1.00 0.12 C ATOM 1591 C LEU B 144 -8.017 8.929 -0.959 1.00 0.11 C ATOM 1592 O LEU B 144 -8.429 7.994 -1.644 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.842 10.020 -1.575 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.112 11.044 -2.449 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.630 11.050 -2.136 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.350 10.751 -3.922 1.00 0.14 C ATOM 0 H LEU B 144 -7.046 11.709 -0.258 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.696 10.194 -2.636 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.497 10.127 -0.546 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.565 9.018 -1.902 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.511 12.034 -2.228 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.128 11.784 -2.767 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.481 11.310 -1.088 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.214 10.061 -2.328 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.824 11.488 -4.529 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.979 9.754 -4.159 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.418 10.801 -4.135 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.105 8.958 0.364 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.743 7.887 1.109 1.00 0.11 C ATOM 1610 C LEU B 145 -10.246 7.999 0.924 1.00 0.12 C ATOM 1611 O LEU B 145 -10.972 7.007 0.961 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.367 7.970 2.592 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.239 7.149 3.548 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.281 5.689 3.125 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.721 7.277 4.972 1.00 0.16 C ATOM 0 H LEU B 145 -7.741 9.715 0.943 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.402 6.921 0.737 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.333 7.645 2.704 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.408 9.015 2.900 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.255 7.541 3.508 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.906 5.127 3.819 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.696 5.613 2.120 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.271 5.279 3.132 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.349 6.689 5.642 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.696 6.910 5.021 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.747 8.323 5.276 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.699 9.231 0.715 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.111 9.494 0.493 1.00 0.17 C ATOM 1629 C ALA B 146 -12.533 8.915 -0.848 1.00 0.16 C ATOM 1630 O ALA B 146 -13.530 8.200 -0.944 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.391 10.990 0.537 1.00 0.20 C ATOM 0 H ALA B 146 -10.106 10.061 0.695 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.688 9.018 1.286 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.453 11.166 0.369 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.108 11.385 1.513 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.813 11.491 -0.239 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.753 9.227 -1.881 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.017 8.732 -3.222 1.00 0.19 C ATOM 1639 C GLU B 147 -12.023 7.218 -3.209 1.00 0.16 C ATOM 1640 O GLU B 147 -12.915 6.577 -3.763 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.940 9.230 -4.184 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.965 10.732 -4.401 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.948 11.152 -5.476 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.168 11.112 -5.213 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.496 11.525 -6.579 1.00 0.57 O ATOM 0 H GLU B 147 -10.929 9.824 -1.810 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.988 9.099 -3.554 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.961 8.943 -3.800 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.064 8.731 -5.145 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.224 11.226 -3.465 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.966 11.072 -4.675 1.00 0.18 H new ATOM 1652 N ALA B 148 -11.004 6.661 -2.569 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.868 5.221 -2.443 1.00 0.12 C ATOM 1654 C ALA B 148 -12.160 4.608 -1.921 1.00 0.14 C ATOM 1655 O ALA B 148 -12.640 3.603 -2.442 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.715 4.889 -1.514 1.00 0.11 C ATOM 0 H ALA B 148 -10.254 7.192 -2.126 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.661 4.801 -3.427 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.620 3.807 -1.425 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.791 5.303 -1.918 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.905 5.319 -0.530 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.711 5.226 -0.881 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.955 4.765 -0.281 1.00 0.17 C ATOM 1664 C LYS B 149 -15.109 4.899 -1.268 1.00 0.17 C ATOM 1665 O LYS B 149 -16.020 4.070 -1.286 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.258 5.564 0.987 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.334 5.241 2.149 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.733 6.005 3.401 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.684 5.872 4.491 1.00 0.59 C ATOM 1670 NZ LYS B 149 -13.056 6.633 5.717 1.00 1.01 N ATOM 0 H LYS B 149 -12.312 6.052 -0.435 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.841 3.713 -0.020 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -14.185 6.628 0.761 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.288 5.372 1.289 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.360 4.170 2.350 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.307 5.490 1.880 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.874 7.058 3.157 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.689 5.632 3.767 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.554 4.820 4.743 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.725 6.232 4.118 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.314 6.516 6.437 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -13.156 7.641 5.483 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.958 6.273 6.089 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.068 5.948 -2.086 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.113 6.175 -3.076 1.00 0.20 C ATOM 1686 C LYS B 150 -16.058 5.103 -4.155 1.00 0.21 C ATOM 1687 O LYS B 150 -17.085 4.719 -4.715 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.974 7.562 -3.710 1.00 0.25 C ATOM 1689 CG LYS B 150 -16.067 8.707 -2.714 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.316 10.036 -3.412 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.722 10.111 -3.983 1.00 1.28 C ATOM 1692 NZ LYS B 150 -17.953 11.378 -4.731 1.00 1.99 N ATOM 0 H LYS B 150 -14.327 6.649 -2.082 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.077 6.123 -2.569 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.016 7.620 -4.227 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.751 7.685 -4.464 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.872 8.510 -2.006 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.144 8.765 -2.138 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.165 10.853 -2.706 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.589 10.169 -4.213 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.890 9.263 -4.646 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -18.447 10.031 -3.173 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -18.924 11.389 -5.104 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -17.818 12.188 -4.092 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -17.278 11.443 -5.520 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.850 4.622 -4.438 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.657 3.584 -5.442 1.00 0.16 C ATOM 1708 C LEU B 151 -15.111 2.239 -4.891 1.00 0.15 C ATOM 1709 O LEU B 151 -15.811 1.481 -5.560 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.187 3.515 -5.866 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.872 2.520 -6.989 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.851 2.675 -8.140 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.444 2.707 -7.476 1.00 0.18 C ATOM 0 H LEU B 151 -13.991 4.936 -3.985 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.257 3.829 -6.319 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.872 4.508 -6.185 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.587 3.255 -4.994 1.00 0.16 H new ATOM 0 HG LEU B 151 -12.975 1.511 -6.590 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.607 1.958 -8.924 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.864 2.491 -7.783 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.785 3.687 -8.540 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.235 1.994 -8.273 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.319 3.721 -7.855 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.753 2.540 -6.650 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.688 1.951 -3.666 1.00 0.13 N ATOM 1726 CA ASN B 152 -15.063 0.715 -2.990 1.00 0.14 C ATOM 1727 C ASN B 152 -16.578 0.556 -2.978 1.00 0.17 C ATOM 1728 O ASN B 152 -17.113 -0.443 -3.456 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.526 0.718 -1.557 1.00 0.20 C ATOM 1730 CG ASN B 152 -15.065 -0.433 -0.732 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -14.347 -1.547 -0.737 1.00 1.39 O flip ATOM 1732 ND2 ASN B 152 -16.115 -0.322 -0.099 1.00 0.69 N flip ATOM 0 H ASN B 152 -14.081 2.561 -3.118 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.628 -0.125 -3.531 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.438 0.665 -1.580 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.789 1.660 -1.076 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -16.635 0.555 -0.124 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -16.465 -1.107 0.451 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.258 1.556 -2.429 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.714 1.548 -2.350 1.00 0.23 C ATOM 1741 C ASP B 153 -19.338 1.529 -3.743 1.00 0.25 C ATOM 1742 O ASP B 153 -20.454 1.043 -3.927 1.00 0.31 O ATOM 1743 CB ASP B 153 -19.206 2.770 -1.575 1.00 0.28 C ATOM 1744 CG ASP B 153 -20.715 2.797 -1.430 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -21.393 3.267 -2.367 1.00 2.25 O ATOM 1746 OD2 ASP B 153 -21.218 2.346 -0.379 1.00 1.04 O ATOM 0 H ASP B 153 -16.821 2.387 -2.030 1.00 0.18 H new ATOM 0 HA ASP B 153 -19.020 0.643 -1.825 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.749 2.777 -0.585 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -18.877 3.676 -2.084 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.612 2.064 -4.722 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.097 2.108 -6.096 1.00 0.28 C ATOM 1753 C ALA B 154 -19.292 0.701 -6.652 1.00 0.30 C ATOM 1754 O ALA B 154 -20.377 0.352 -7.116 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.135 2.898 -6.971 1.00 0.28 C ATOM 0 H ALA B 154 -17.687 2.472 -4.588 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.065 2.609 -6.099 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.510 2.922 -7.994 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.050 3.916 -6.591 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.154 2.422 -6.955 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.235 -0.104 -6.600 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.297 -1.475 -7.094 1.00 0.35 C ATOM 1763 C GLN B 155 -18.918 -2.393 -6.049 1.00 0.36 C ATOM 1764 O GLN B 155 -19.286 -3.530 -6.345 1.00 0.44 O ATOM 1765 CB GLN B 155 -16.899 -1.978 -7.455 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.106 -1.012 -8.315 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.829 -1.628 -8.849 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -13.755 -1.530 -8.075 1.00 0.51 O flip ATOM 1769 NE2 GLN B 155 -14.809 -2.196 -9.941 1.00 0.39 N flip ATOM 0 H GLN B 155 -17.328 0.169 -6.222 1.00 0.30 H new ATOM 0 HA GLN B 155 -18.920 -1.484 -7.988 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.344 -2.173 -6.537 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -16.989 -2.929 -7.981 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.724 -0.682 -9.150 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -15.861 -0.126 -7.730 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -15.658 -2.248 -10.504 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.944 -2.614 -10.283 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.027 -1.888 -4.823 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.603 -2.653 -3.721 1.00 0.34 C ATOM 1780 C ALA B 156 -20.970 -3.225 -4.097 1.00 0.47 C ATOM 1781 O ALA B 156 -21.625 -2.726 -5.013 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.716 -1.780 -2.479 1.00 0.36 C ATOM 0 H ALA B 156 -18.723 -0.949 -4.567 1.00 0.31 H new ATOM 0 HA ALA B 156 -18.939 -3.490 -3.507 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -20.147 -2.361 -1.664 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.726 -1.428 -2.190 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -20.357 -0.924 -2.693 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.420 -4.286 -3.396 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.715 -4.923 -3.670 1.00 0.68 C ATOM 1790 C PRO B 157 -23.866 -3.922 -3.691 1.00 0.79 C ATOM 1791 O PRO B 157 -24.453 -3.660 -4.741 1.00 0.89 O ATOM 1792 CB PRO B 157 -22.881 -5.909 -2.512 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.492 -6.211 -2.071 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.707 -4.947 -2.285 1.00 0.48 C ATOM 0 HA PRO B 157 -22.735 -5.394 -4.653 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.468 -5.474 -1.703 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -23.400 -6.812 -2.832 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.471 -6.511 -1.023 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.070 -7.035 -2.647 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.694 -4.326 -1.390 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.669 -5.157 -2.542 1.00 0.48 H new ATOM 1802 N LYS B 158 -24.184 -3.367 -2.525 1.00 0.96 N ATOM 1803 CA LYS B 158 -25.265 -2.395 -2.410 1.00 1.17 C ATOM 1804 C LYS B 158 -24.962 -1.144 -3.228 1.00 1.23 C ATOM 1805 O LYS B 158 -24.294 -0.234 -2.694 1.00 1.76 O ATOM 1806 CB LYS B 158 -25.488 -2.020 -0.943 1.00 1.46 C ATOM 1807 CG LYS B 158 -25.896 -3.194 -0.066 1.00 1.69 C ATOM 1808 CD LYS B 158 -27.284 -3.703 -0.422 1.00 2.47 C ATOM 1809 CE LYS B 158 -27.682 -4.885 0.447 1.00 3.07 C ATOM 1810 NZ LYS B 158 -29.063 -5.357 0.151 1.00 3.60 N ATOM 1811 OXT LYS B 158 -25.395 -1.085 -4.399 1.00 1.64 O ATOM 0 H LYS B 158 -23.708 -3.574 -1.647 1.00 0.96 H new ATOM 0 HA LYS B 158 -26.174 -2.851 -2.803 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -24.572 -1.583 -0.546 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -26.259 -1.251 -0.887 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -25.172 -4.001 -0.178 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -25.876 -2.891 0.981 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -28.010 -2.899 -0.300 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -27.307 -3.997 -1.471 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -26.978 -5.703 0.291 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -27.613 -4.602 1.497 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -29.293 -6.164 0.766 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -29.738 -4.585 0.325 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -29.123 -5.652 -0.844 1.00 3.60 H new TER 1825 LYS B 158