USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1204 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 GLN : amide:sc= -2.33 K(o=-2.8,f=-0.58) USER MOD Set 1.2: A 152 ASN : amide:sc= -0.433 K(o=-2.8,f=-0.58) USER MOD Set 2.1: A 30 CYS SG : rot 40:sc= -1.14 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.606 K(o=-0.53,f=-4.3!) USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= -0.011 USER MOD Set 3.2: A 93 THR OG1 : rot -99:sc= 1.25 USER MOD Set 3.3: A 115 ASN : amide:sc= -0.527 K(o=0.71,f=-0.49) USER MOD Set 4.1: A 1 MET N :NH3+ 175:sc= 0.921 (180deg=-0.217) USER MOD Set 4.2: A 5 GLN : amide:sc= 0.659 K(o=1.6,f=-13!) USER MOD Single : A 1 MET CE :methyl 134:sc= -2.86! (180deg=-3.81!) USER MOD Single : A 3 LYS NZ :NH3+ 142:sc= 2.04 (180deg=0.163) USER MOD Single : A 7 ASN : amide:sc= -0.895 K(o=-0.9,f=-0.067) USER MOD Single : A 8 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.0061) USER MOD Single : A 14 ASN : amide:sc= -14.2! C(o=-14!,f=-11!) USER MOD Single : A 16 SER OG : rot -175:sc= 1.28 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.5!) USER MOD Single : A 23 GLN : amide:sc= -6.15! K(o=-6.1!,f=-0.97) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -179:sc= -2.54! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.378 K(o=-0.38,f=-3.1) USER MOD Single : A 59 SER OG : rot 44:sc= 0.152 USER MOD Single : A 71 MET CE :methyl 152:sc= -0.424 (180deg=-1.55!) USER MOD Single : A 75 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.0092) USER MOD Single : A 80 ASN : amide:sc= 0.657 K(o=0.66,f=-8.2!) USER MOD Single : A 98 THR OG1 : rot 170:sc= 0 USER MOD Single : A 99 CYS SG : rot -86:sc= -3.69! USER MOD Single : A 100 THR OG1 : rot 148:sc= 1.21 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.365 USER MOD Single : A 111 TYR OH : rot -114:sc= 0.176 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.7!) USER MOD Single : A 117 TYR OH : rot -165:sc= -1.5 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 120 THR OG1 : rot 180:sc=0.000525 USER MOD Single : A 125 ASN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -169:sc= 1.16 (180deg=0.588) USER MOD Single : A 133 SER OG : rot 46:sc= 1.31 USER MOD Single : A 134 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.795) USER MOD Single : A 136 GLN : amide:sc= -2.79! K(o=-2.8!,f=-1.2) USER MOD Single : A 138 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.6) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.84) USER MOD Single : A 147 THR OG1 : rot 160:sc= 0.815 USER MOD Single : A 150 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=0.0015) USER MOD Single : A 156 ASN : amide:sc= -3.47! K(o=-3.5!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.559 -1.976 7.401 1.00 2.96 N ATOM 2 CA MET A 1 -18.288 -0.818 7.965 1.00 2.49 C ATOM 3 C MET A 1 -19.701 -0.745 7.386 1.00 1.61 C ATOM 4 O MET A 1 -20.632 -1.309 7.956 1.00 2.04 O ATOM 5 CB MET A 1 -17.511 0.481 7.707 1.00 2.65 C ATOM 6 CG MET A 1 -18.088 1.694 8.425 1.00 2.26 C ATOM 7 SD MET A 1 -16.966 3.109 8.428 1.00 2.63 S ATOM 8 CE MET A 1 -16.779 3.422 6.675 1.00 2.46 C ATOM 0 H1 MET A 1 -16.575 -1.964 7.738 1.00 2.96 H new ATOM 0 H2 MET A 1 -18.019 -2.858 7.706 1.00 2.96 H new ATOM 0 H3 MET A 1 -17.570 -1.921 6.363 1.00 2.96 H new ATOM 0 HA MET A 1 -18.374 -0.947 9.044 1.00 2.49 H new ATOM 0 HB2 MET A 1 -16.476 0.343 8.020 1.00 2.65 H new ATOM 0 HB3 MET A 1 -17.496 0.678 6.635 1.00 2.65 H new ATOM 0 HG2 MET A 1 -19.025 1.981 7.947 1.00 2.26 H new ATOM 0 HG3 MET A 1 -18.325 1.422 9.454 1.00 2.26 H new ATOM 0 HE1 MET A 1 -16.883 4.490 6.483 1.00 2.46 H new ATOM 0 HE2 MET A 1 -15.794 3.089 6.349 1.00 2.46 H new ATOM 0 HE3 MET A 1 -17.547 2.878 6.124 1.00 2.46 H new ATOM 18 N ALA A 2 -19.866 -0.076 6.249 1.00 0.91 N ATOM 19 CA ALA A 2 -21.184 0.041 5.636 1.00 0.66 C ATOM 20 C ALA A 2 -21.356 -0.930 4.462 1.00 0.57 C ATOM 21 O ALA A 2 -21.876 -2.027 4.639 1.00 0.68 O ATOM 22 CB ALA A 2 -21.455 1.476 5.212 1.00 1.48 C ATOM 0 H ALA A 2 -19.114 0.388 5.739 1.00 0.91 H new ATOM 0 HA ALA A 2 -21.923 -0.236 6.388 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -22.443 1.540 4.757 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -21.414 2.127 6.085 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -20.702 1.790 4.489 1.00 1.48 H new ATOM 28 N LYS A 3 -20.903 -0.539 3.271 1.00 0.46 N ATOM 29 CA LYS A 3 -21.075 -1.377 2.083 1.00 0.45 C ATOM 30 C LYS A 3 -19.932 -2.375 1.938 1.00 0.35 C ATOM 31 O LYS A 3 -20.124 -3.475 1.435 1.00 0.36 O ATOM 32 CB LYS A 3 -21.168 -0.531 0.806 1.00 0.54 C ATOM 33 CG LYS A 3 -22.518 0.137 0.563 1.00 0.82 C ATOM 34 CD LYS A 3 -22.721 1.367 1.433 1.00 0.81 C ATOM 35 CE LYS A 3 -23.738 1.120 2.533 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.103 0.888 1.994 1.00 0.98 N ATOM 0 H LYS A 3 -20.419 0.343 3.103 1.00 0.46 H new ATOM 0 HA LYS A 3 -22.010 -1.921 2.217 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.401 0.242 0.845 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -20.937 -1.167 -0.049 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.596 0.421 -0.487 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.316 -0.579 0.760 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.769 1.659 1.877 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -23.052 2.200 0.813 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.430 0.256 3.122 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.756 1.976 3.207 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.579 0.155 2.558 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -25.650 1.771 2.042 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.037 0.575 1.004 1.00 0.98 H new ATOM 50 N VAL A 4 -18.747 -1.990 2.389 1.00 0.32 N ATOM 51 CA VAL A 4 -17.562 -2.820 2.248 1.00 0.29 C ATOM 52 C VAL A 4 -16.830 -2.918 3.578 1.00 0.33 C ATOM 53 O VAL A 4 -16.842 -1.978 4.381 1.00 0.45 O ATOM 54 CB VAL A 4 -16.613 -2.265 1.145 1.00 0.28 C ATOM 55 CG1 VAL A 4 -15.154 -2.620 1.407 1.00 0.31 C ATOM 56 CG2 VAL A 4 -17.025 -2.794 -0.218 1.00 0.27 C ATOM 0 H VAL A 4 -18.581 -1.100 2.859 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.880 -3.817 1.944 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.702 -1.179 1.165 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.532 -2.211 0.611 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.843 -2.199 2.363 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -15.043 -3.704 1.434 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.354 -2.398 -0.980 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.972 -3.883 -0.217 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.046 -2.481 -0.436 1.00 0.27 H new ATOM 66 N GLN A 5 -16.249 -4.076 3.828 1.00 0.30 N ATOM 67 CA GLN A 5 -15.417 -4.276 4.993 1.00 0.34 C ATOM 68 C GLN A 5 -14.238 -5.174 4.643 1.00 0.31 C ATOM 69 O GLN A 5 -14.415 -6.347 4.328 1.00 0.32 O ATOM 70 CB GLN A 5 -16.244 -4.882 6.129 1.00 0.41 C ATOM 71 CG GLN A 5 -15.436 -5.197 7.374 1.00 0.72 C ATOM 72 CD GLN A 5 -14.639 -4.007 7.876 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.043 -2.856 7.704 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.493 -4.275 8.477 1.00 1.39 N ATOM 0 H GLN A 5 -16.341 -4.898 3.232 1.00 0.30 H new ATOM 0 HA GLN A 5 -15.029 -3.314 5.326 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.044 -4.191 6.392 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.717 -5.797 5.773 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.109 -5.536 8.162 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.755 -6.021 7.160 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.195 -5.243 8.599 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.906 -3.514 8.819 1.00 1.39 H new ATOM 83 N VAL A 6 -13.038 -4.615 4.669 1.00 0.32 N ATOM 84 CA VAL A 6 -11.843 -5.397 4.401 1.00 0.34 C ATOM 85 C VAL A 6 -11.611 -6.390 5.530 1.00 0.38 C ATOM 86 O VAL A 6 -11.548 -6.016 6.699 1.00 0.60 O ATOM 87 CB VAL A 6 -10.593 -4.506 4.226 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.358 -5.351 3.944 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.812 -3.494 3.112 1.00 1.32 C ATOM 0 H VAL A 6 -12.867 -3.630 4.871 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.003 -5.930 3.464 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.428 -3.966 5.158 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.492 -4.701 3.825 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -9.187 -6.034 4.776 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.510 -5.924 3.029 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.922 -2.875 3.003 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -11.006 -4.019 2.177 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.665 -2.862 3.357 1.00 1.32 H new ATOM 99 N ASN A 7 -11.515 -7.656 5.170 1.00 0.32 N ATOM 100 CA ASN A 7 -11.315 -8.712 6.150 1.00 0.36 C ATOM 101 C ASN A 7 -9.851 -9.096 6.200 1.00 0.37 C ATOM 102 O ASN A 7 -9.119 -8.722 7.114 1.00 0.46 O ATOM 103 CB ASN A 7 -12.139 -9.967 5.820 1.00 0.37 C ATOM 104 CG ASN A 7 -13.624 -9.846 6.119 1.00 0.45 C ATOM 105 OD1 ASN A 7 -14.243 -10.800 6.583 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.218 -8.706 5.819 1.00 0.53 N ATOM 0 H ASN A 7 -11.572 -7.981 4.205 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.645 -8.324 7.114 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.013 -10.201 4.763 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.736 -10.809 6.383 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.221 -8.598 5.971 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.674 -7.933 5.435 1.00 0.53 H new ATOM 113 N ASN A 8 -9.427 -9.823 5.184 1.00 0.33 N ATOM 114 CA ASN A 8 -8.084 -10.363 5.137 1.00 0.39 C ATOM 115 C ASN A 8 -7.224 -9.523 4.218 1.00 0.39 C ATOM 116 O ASN A 8 -7.638 -9.184 3.113 1.00 0.48 O ATOM 117 CB ASN A 8 -8.104 -11.812 4.648 1.00 0.44 C ATOM 118 CG ASN A 8 -6.743 -12.478 4.743 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.367 -13.275 3.885 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.009 -12.187 5.806 1.00 1.47 N ATOM 0 H ASN A 8 -10.001 -10.054 4.373 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.666 -10.341 6.143 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.825 -12.380 5.236 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.446 -11.838 3.613 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.099 -12.629 5.934 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.354 -11.521 6.497 1.00 1.47 H new ATOM 127 N VAL A 9 -6.043 -9.170 4.674 1.00 0.42 N ATOM 128 CA VAL A 9 -5.109 -8.446 3.840 1.00 0.45 C ATOM 129 C VAL A 9 -3.676 -8.886 4.142 1.00 0.50 C ATOM 130 O VAL A 9 -3.071 -8.487 5.140 1.00 0.60 O ATOM 131 CB VAL A 9 -5.280 -6.911 3.988 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.133 -6.455 5.435 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.309 -6.176 3.081 1.00 1.01 C ATOM 0 H VAL A 9 -5.707 -9.372 5.616 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.326 -8.687 2.799 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.296 -6.664 3.680 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.260 -5.374 5.491 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.891 -6.942 6.049 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.142 -6.723 5.802 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.444 -5.101 3.199 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.287 -6.445 3.348 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.498 -6.454 2.044 1.00 1.01 H new ATOM 143 N VAL A 10 -3.152 -9.754 3.295 1.00 0.52 N ATOM 144 CA VAL A 10 -1.808 -10.280 3.484 1.00 0.61 C ATOM 145 C VAL A 10 -0.875 -9.794 2.386 1.00 0.47 C ATOM 146 O VAL A 10 -1.306 -9.507 1.268 1.00 0.48 O ATOM 147 CB VAL A 10 -1.788 -11.823 3.542 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.531 -12.320 4.771 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.384 -12.426 2.281 1.00 1.24 C ATOM 0 H VAL A 10 -3.634 -10.110 2.470 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.458 -9.904 4.445 1.00 0.61 H new ATOM 0 HB VAL A 10 -0.748 -12.143 3.610 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.507 -13.409 4.795 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.054 -11.926 5.669 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.566 -11.981 4.732 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.357 -13.513 2.350 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.417 -12.095 2.172 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -1.806 -12.103 1.415 1.00 1.24 H new ATOM 159 N VAL A 11 0.399 -9.689 2.719 1.00 0.44 N ATOM 160 CA VAL A 11 1.396 -9.197 1.786 1.00 0.39 C ATOM 161 C VAL A 11 2.310 -10.326 1.338 1.00 0.41 C ATOM 162 O VAL A 11 2.926 -11.003 2.165 1.00 0.52 O ATOM 163 CB VAL A 11 2.241 -8.073 2.409 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.192 -7.500 1.376 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.353 -6.984 2.992 1.00 0.91 C ATOM 0 H VAL A 11 0.769 -9.940 3.636 1.00 0.44 H new ATOM 0 HA VAL A 11 0.865 -8.795 0.923 1.00 0.39 H new ATOM 0 HB VAL A 11 2.828 -8.494 3.225 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.785 -6.705 1.829 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.855 -8.287 1.016 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.621 -7.096 0.540 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.975 -6.201 3.426 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.733 -6.559 2.203 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.714 -7.411 3.765 1.00 0.91 H new ATOM 175 N LEU A 12 2.376 -10.542 0.032 1.00 0.40 N ATOM 176 CA LEU A 12 3.194 -11.601 -0.518 1.00 0.45 C ATOM 177 C LEU A 12 4.537 -11.055 -0.991 1.00 0.57 C ATOM 178 O LEU A 12 4.668 -9.862 -1.274 1.00 1.18 O ATOM 179 CB LEU A 12 2.495 -12.279 -1.704 1.00 0.50 C ATOM 180 CG LEU A 12 0.988 -12.541 -1.579 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.631 -13.132 -0.220 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.184 -11.283 -1.874 1.00 1.16 C ATOM 0 H LEU A 12 1.870 -9.994 -0.664 1.00 0.40 H new ATOM 0 HA LEU A 12 3.352 -12.332 0.275 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.658 -11.663 -2.588 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.989 -13.233 -1.886 1.00 0.50 H new ATOM 0 HG LEU A 12 0.721 -13.284 -2.330 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.444 -13.304 -0.169 1.00 0.92 H new ATOM 0 HD12 LEU A 12 1.156 -14.078 -0.085 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.925 -12.438 0.567 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.880 -11.500 -1.777 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.460 -10.501 -1.167 1.00 1.16 H new ATOM 0 HD23 LEU A 12 0.395 -10.946 -2.889 1.00 1.16 H new ATOM 194 N ASP A 13 5.524 -11.950 -1.044 1.00 0.84 N ATOM 195 CA ASP A 13 6.846 -11.679 -1.616 1.00 1.01 C ATOM 196 C ASP A 13 7.680 -10.855 -0.642 1.00 0.85 C ATOM 197 O ASP A 13 8.612 -10.150 -1.019 1.00 1.01 O ATOM 198 CB ASP A 13 6.725 -10.988 -2.982 1.00 1.29 C ATOM 199 CG ASP A 13 7.988 -11.100 -3.811 1.00 2.15 C ATOM 200 OD1 ASP A 13 8.708 -12.108 -3.674 1.00 2.73 O ATOM 201 OD2 ASP A 13 8.260 -10.186 -4.612 1.00 2.57 O ATOM 0 H ASP A 13 5.427 -12.900 -0.685 1.00 0.84 H new ATOM 0 HA ASP A 13 7.357 -12.628 -1.781 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.894 -11.427 -3.534 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.487 -9.935 -2.831 1.00 1.29 H new ATOM 206 N ASN A 14 7.303 -10.933 0.621 1.00 0.68 N ATOM 207 CA ASN A 14 8.060 -10.312 1.701 1.00 0.63 C ATOM 208 C ASN A 14 9.052 -11.288 2.325 1.00 0.57 C ATOM 209 O ASN A 14 8.660 -12.363 2.778 1.00 0.67 O ATOM 210 CB ASN A 14 7.085 -9.843 2.776 1.00 0.78 C ATOM 211 CG ASN A 14 6.250 -8.677 2.335 1.00 0.96 C ATOM 212 OD1 ASN A 14 5.615 -8.029 3.150 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.257 -8.395 1.041 1.00 1.40 N ATOM 0 H ASN A 14 6.466 -11.427 0.930 1.00 0.68 H new ATOM 0 HA ASN A 14 8.622 -9.474 1.289 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.430 -10.670 3.051 1.00 0.78 H new ATOM 0 HB3 ASN A 14 7.643 -9.567 3.671 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.715 -7.606 0.688 1.00 1.40 H new ATOM 0 HD22 ASN A 14 6.804 -8.967 0.397 1.00 1.40 H new ATOM 220 N PRO A 15 10.350 -10.937 2.370 1.00 0.51 N ATOM 221 CA PRO A 15 10.923 -9.769 1.705 1.00 0.45 C ATOM 222 C PRO A 15 11.560 -10.122 0.359 1.00 0.44 C ATOM 223 O PRO A 15 12.002 -11.256 0.155 1.00 0.48 O ATOM 224 CB PRO A 15 12.019 -9.326 2.684 1.00 0.48 C ATOM 225 CG PRO A 15 12.212 -10.466 3.648 1.00 0.57 C ATOM 226 CD PRO A 15 11.377 -11.618 3.149 1.00 0.60 C ATOM 0 HA PRO A 15 10.170 -9.012 1.487 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.946 -9.103 2.155 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.726 -8.417 3.210 1.00 0.48 H new ATOM 0 HG2 PRO A 15 13.263 -10.749 3.704 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.906 -10.176 4.653 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.959 -12.309 2.540 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.950 -12.197 3.968 1.00 0.60 H new ATOM 234 N SER A 16 11.632 -9.147 -0.537 1.00 0.42 N ATOM 235 CA SER A 16 12.244 -9.354 -1.851 1.00 0.47 C ATOM 236 C SER A 16 12.808 -8.042 -2.397 1.00 0.45 C ATOM 237 O SER A 16 12.440 -6.969 -1.916 1.00 0.43 O ATOM 238 CB SER A 16 11.229 -9.948 -2.834 1.00 0.59 C ATOM 239 OG SER A 16 10.910 -11.289 -2.500 1.00 0.77 O ATOM 0 H SER A 16 11.276 -8.204 -0.382 1.00 0.42 H new ATOM 0 HA SER A 16 13.066 -10.061 -1.734 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.321 -9.345 -2.831 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.634 -9.910 -3.845 1.00 0.59 H new ATOM 0 HG SER A 16 10.323 -11.667 -3.188 1.00 0.77 H new ATOM 245 N PRO A 17 13.727 -8.117 -3.386 1.00 0.52 N ATOM 246 CA PRO A 17 14.337 -6.932 -4.005 1.00 0.52 C ATOM 247 C PRO A 17 13.299 -5.908 -4.457 1.00 0.48 C ATOM 248 O PRO A 17 12.290 -6.267 -5.049 1.00 0.58 O ATOM 249 CB PRO A 17 15.082 -7.498 -5.213 1.00 0.60 C ATOM 250 CG PRO A 17 15.382 -8.910 -4.848 1.00 0.83 C ATOM 251 CD PRO A 17 14.250 -9.369 -3.971 1.00 0.63 C ATOM 0 HA PRO A 17 14.978 -6.398 -3.303 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.472 -7.444 -6.115 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.996 -6.938 -5.412 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.461 -9.533 -5.739 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.334 -8.982 -4.323 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.485 -9.892 -4.546 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.595 -10.057 -3.200 1.00 0.63 H new ATOM 259 N PHE A 18 13.606 -4.640 -4.207 1.00 0.41 N ATOM 260 CA PHE A 18 12.685 -3.510 -4.380 1.00 0.37 C ATOM 261 C PHE A 18 11.990 -3.465 -5.747 1.00 0.36 C ATOM 262 O PHE A 18 10.911 -2.885 -5.876 1.00 0.37 O ATOM 263 CB PHE A 18 13.462 -2.207 -4.123 1.00 0.38 C ATOM 264 CG PHE A 18 12.860 -0.973 -4.735 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.813 -0.305 -4.119 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.350 -0.480 -5.934 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.269 0.828 -4.689 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.810 0.652 -6.507 1.00 0.36 C ATOM 269 CZ PHE A 18 11.767 1.307 -5.885 1.00 0.37 C ATOM 0 H PHE A 18 14.526 -4.356 -3.869 1.00 0.41 H new ATOM 0 HA PHE A 18 11.877 -3.637 -3.659 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.543 -2.057 -3.046 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.476 -2.326 -4.505 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.419 -0.675 -3.184 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.166 -0.989 -6.426 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.454 1.340 -4.200 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.203 1.025 -7.441 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.341 2.193 -6.333 1.00 0.37 H new ATOM 279 N TYR A 19 12.581 -4.079 -6.758 1.00 0.38 N ATOM 280 CA TYR A 19 11.998 -4.046 -8.091 1.00 0.41 C ATOM 281 C TYR A 19 10.892 -5.082 -8.243 1.00 0.44 C ATOM 282 O TYR A 19 10.399 -5.322 -9.343 1.00 0.52 O ATOM 283 CB TYR A 19 13.075 -4.236 -9.157 1.00 0.45 C ATOM 284 CG TYR A 19 13.832 -2.963 -9.452 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.335 -2.023 -10.346 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.053 -2.706 -8.843 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.035 -0.864 -10.621 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.759 -1.550 -9.115 1.00 0.64 C ATOM 289 CZ TYR A 19 15.204 -0.604 -9.984 1.00 0.57 C ATOM 290 OH TYR A 19 15.943 0.521 -10.279 1.00 0.65 O ATOM 0 H TYR A 19 13.454 -4.601 -6.685 1.00 0.38 H new ATOM 0 HA TYR A 19 11.547 -3.064 -8.231 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.776 -5.003 -8.827 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.613 -4.600 -10.074 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.388 -2.201 -10.833 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.458 -3.423 -8.144 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.650 -0.162 -11.346 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.725 -1.379 -8.664 1.00 0.64 H new ATOM 0 HH TYR A 19 16.749 0.539 -9.721 1.00 0.65 H new ATOM 300 N ASN A 20 10.497 -5.680 -7.130 1.00 0.44 N ATOM 301 CA ASN A 20 9.374 -6.598 -7.112 1.00 0.48 C ATOM 302 C ASN A 20 8.068 -5.823 -6.985 1.00 0.42 C ATOM 303 O ASN A 20 8.047 -4.689 -6.496 1.00 0.52 O ATOM 304 CB ASN A 20 9.499 -7.601 -5.956 1.00 0.61 C ATOM 305 CG ASN A 20 9.386 -6.971 -4.576 1.00 1.03 C ATOM 306 OD1 ASN A 20 9.771 -5.827 -4.358 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.860 -7.726 -3.626 1.00 0.69 N ATOM 0 H ASN A 20 10.942 -5.543 -6.223 1.00 0.44 H new ATOM 0 HA ASN A 20 9.376 -7.154 -8.050 1.00 0.48 H new ATOM 0 HB2 ASN A 20 8.724 -8.360 -6.062 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.459 -8.112 -6.034 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.765 -7.361 -2.678 1.00 0.69 H new ATOM 0 HD22 ASN A 20 8.550 -8.674 -3.841 1.00 0.69 H new ATOM 314 N PRO A 21 6.958 -6.402 -7.446 1.00 0.41 N ATOM 315 CA PRO A 21 5.647 -5.791 -7.299 1.00 0.38 C ATOM 316 C PRO A 21 5.150 -5.862 -5.863 1.00 0.35 C ATOM 317 O PRO A 21 5.367 -6.853 -5.166 1.00 0.42 O ATOM 318 CB PRO A 21 4.737 -6.625 -8.215 1.00 0.44 C ATOM 319 CG PRO A 21 5.648 -7.521 -8.991 1.00 0.62 C ATOM 320 CD PRO A 21 6.886 -7.681 -8.160 1.00 0.57 C ATOM 0 HA PRO A 21 5.665 -4.732 -7.558 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.022 -7.205 -7.632 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.159 -5.984 -8.881 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.178 -8.486 -9.178 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.885 -7.088 -9.963 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.808 -8.525 -7.474 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.769 -7.852 -8.776 1.00 0.57 H new ATOM 328 N PHE A 22 4.526 -4.788 -5.410 1.00 0.33 N ATOM 329 CA PHE A 22 3.810 -4.806 -4.152 1.00 0.34 C ATOM 330 C PHE A 22 2.618 -5.735 -4.293 1.00 0.33 C ATOM 331 O PHE A 22 1.628 -5.387 -4.936 1.00 0.41 O ATOM 332 CB PHE A 22 3.341 -3.400 -3.752 1.00 0.37 C ATOM 333 CG PHE A 22 4.399 -2.560 -3.094 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.830 -2.832 -1.802 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.971 -1.494 -3.776 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.808 -2.059 -1.207 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.945 -0.719 -3.183 1.00 0.57 C ATOM 338 CZ PHE A 22 6.348 -1.012 -1.857 1.00 0.58 C ATOM 0 H PHE A 22 4.502 -3.892 -5.898 1.00 0.33 H new ATOM 0 HA PHE A 22 4.478 -5.160 -3.367 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.983 -2.882 -4.642 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.492 -3.492 -3.074 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.396 -3.657 -1.257 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.649 -1.270 -4.782 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.143 -2.298 -0.208 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.395 0.101 -3.723 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.088 -0.396 -1.368 1.00 0.58 H new ATOM 348 N GLN A 23 2.753 -6.935 -3.746 1.00 0.31 N ATOM 349 CA GLN A 23 1.715 -7.945 -3.854 1.00 0.34 C ATOM 350 C GLN A 23 0.817 -7.907 -2.633 1.00 0.33 C ATOM 351 O GLN A 23 1.219 -8.321 -1.545 1.00 0.38 O ATOM 352 CB GLN A 23 2.326 -9.343 -3.997 1.00 0.45 C ATOM 353 CG GLN A 23 3.524 -9.389 -4.919 1.00 0.97 C ATOM 354 CD GLN A 23 3.842 -10.780 -5.431 1.00 0.90 C ATOM 355 OE1 GLN A 23 4.364 -10.939 -6.532 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.538 -11.793 -4.639 1.00 1.13 N ATOM 0 H GLN A 23 3.576 -7.232 -3.221 1.00 0.31 H new ATOM 0 HA GLN A 23 1.125 -7.728 -4.744 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.622 -9.703 -3.012 1.00 0.45 H new ATOM 0 HB3 GLN A 23 1.564 -10.027 -4.371 1.00 0.45 H new ATOM 0 HG2 GLN A 23 3.344 -8.730 -5.769 1.00 0.97 H new ATOM 0 HG3 GLN A 23 4.394 -8.997 -4.391 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.105 -11.619 -3.732 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.736 -12.749 -4.935 1.00 1.13 H new ATOM 365 N PHE A 24 -0.387 -7.400 -2.810 1.00 0.31 N ATOM 366 CA PHE A 24 -1.347 -7.349 -1.728 1.00 0.33 C ATOM 367 C PHE A 24 -2.530 -8.253 -2.018 1.00 0.36 C ATOM 368 O PHE A 24 -3.262 -8.049 -2.983 1.00 0.50 O ATOM 369 CB PHE A 24 -1.823 -5.918 -1.494 1.00 0.31 C ATOM 370 CG PHE A 24 -0.737 -5.005 -1.007 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.285 -5.074 0.299 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.174 -4.074 -1.861 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.715 -4.230 0.745 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.826 -3.226 -1.422 1.00 0.32 C ATOM 375 CZ PHE A 24 1.279 -3.321 -0.095 1.00 0.30 C ATOM 0 H PHE A 24 -0.723 -7.018 -3.694 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.853 -7.702 -0.823 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.232 -5.522 -2.423 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.635 -5.927 -0.767 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.718 -5.795 0.977 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.519 -4.009 -2.882 1.00 0.32 H new ATOM 0 HE1 PHE A 24 1.051 -4.293 1.769 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.255 -2.497 -2.093 1.00 0.32 H new ATOM 0 HZ PHE A 24 2.071 -2.676 0.256 1.00 0.30 H new ATOM 385 N GLU A 25 -2.708 -9.252 -1.180 1.00 0.31 N ATOM 386 CA GLU A 25 -3.812 -10.178 -1.328 1.00 0.34 C ATOM 387 C GLU A 25 -4.963 -9.687 -0.464 1.00 0.32 C ATOM 388 O GLU A 25 -5.032 -9.977 0.734 1.00 0.35 O ATOM 389 CB GLU A 25 -3.371 -11.587 -0.930 1.00 0.43 C ATOM 390 CG GLU A 25 -3.847 -12.684 -1.869 1.00 0.97 C ATOM 391 CD GLU A 25 -5.343 -12.896 -1.830 1.00 1.43 C ATOM 392 OE1 GLU A 25 -5.841 -13.457 -0.835 1.00 1.72 O ATOM 393 OE2 GLU A 25 -6.029 -12.472 -2.786 1.00 1.98 O ATOM 0 H GLU A 25 -2.099 -9.445 -0.385 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.140 -10.223 -2.367 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.282 -11.614 -0.882 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.739 -11.800 0.074 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -3.549 -12.436 -2.888 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -3.348 -13.617 -1.609 1.00 0.97 H new ATOM 400 N ILE A 26 -5.823 -8.887 -1.069 1.00 0.30 N ATOM 401 CA ILE A 26 -6.865 -8.185 -0.345 1.00 0.30 C ATOM 402 C ILE A 26 -8.215 -8.879 -0.494 1.00 0.29 C ATOM 403 O ILE A 26 -8.737 -9.028 -1.596 1.00 0.32 O ATOM 404 CB ILE A 26 -6.995 -6.732 -0.843 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.634 -6.029 -0.813 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.008 -5.967 0.002 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.623 -4.708 -1.549 1.00 0.29 C ATOM 0 H ILE A 26 -5.818 -8.707 -2.073 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.578 -8.189 0.707 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.349 -6.753 -1.874 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.343 -5.861 0.224 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -4.884 -6.687 -1.252 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.087 -4.943 -0.363 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -8.981 -6.453 -0.067 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.681 -5.957 1.042 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.629 -4.265 -1.487 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -5.883 -4.872 -2.595 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.349 -4.033 -1.096 1.00 0.29 H new ATOM 419 N THR A 27 -8.773 -9.300 0.619 1.00 0.31 N ATOM 420 CA THR A 27 -10.096 -9.877 0.631 1.00 0.30 C ATOM 421 C THR A 27 -11.050 -8.964 1.396 1.00 0.27 C ATOM 422 O THR A 27 -11.000 -8.881 2.628 1.00 0.29 O ATOM 423 CB THR A 27 -10.071 -11.268 1.280 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.996 -12.033 0.724 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.380 -12.000 1.050 1.00 0.34 C ATOM 0 H THR A 27 -8.325 -9.252 1.534 1.00 0.31 H new ATOM 0 HA THR A 27 -10.442 -9.980 -0.398 1.00 0.30 H new ATOM 0 HB THR A 27 -9.928 -11.145 2.354 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.978 -12.921 1.139 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.335 -12.982 1.520 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.199 -11.427 1.485 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.548 -12.117 -0.021 1.00 0.34 H new ATOM 433 N PHE A 28 -11.912 -8.273 0.665 1.00 0.23 N ATOM 434 CA PHE A 28 -12.856 -7.360 1.275 1.00 0.22 C ATOM 435 C PHE A 28 -14.268 -7.867 1.061 1.00 0.21 C ATOM 436 O PHE A 28 -14.632 -8.276 -0.040 1.00 0.20 O ATOM 437 CB PHE A 28 -12.693 -5.945 0.708 1.00 0.21 C ATOM 438 CG PHE A 28 -13.084 -5.808 -0.738 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.280 -6.316 -1.744 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.259 -5.165 -1.086 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.642 -6.185 -3.071 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.626 -5.031 -2.408 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.817 -5.541 -3.402 1.00 0.28 C ATOM 0 H PHE A 28 -11.974 -8.330 -0.352 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.657 -7.312 2.346 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.295 -5.257 1.302 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.653 -5.638 0.822 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.360 -6.820 -1.489 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.896 -4.763 -0.312 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -12.007 -6.586 -3.847 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.546 -4.527 -2.665 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.103 -5.436 -4.438 1.00 0.28 H new ATOM 453 N GLU A 29 -15.052 -7.854 2.112 1.00 0.22 N ATOM 454 CA GLU A 29 -16.389 -8.394 2.056 1.00 0.23 C ATOM 455 C GLU A 29 -17.412 -7.279 1.962 1.00 0.25 C ATOM 456 O GLU A 29 -17.540 -6.452 2.867 1.00 0.29 O ATOM 457 CB GLU A 29 -16.646 -9.270 3.281 1.00 0.26 C ATOM 458 CG GLU A 29 -18.011 -9.927 3.307 1.00 0.33 C ATOM 459 CD GLU A 29 -18.140 -10.917 4.442 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.416 -10.489 5.581 1.00 0.77 O ATOM 461 OE2 GLU A 29 -17.972 -12.131 4.200 1.00 0.67 O ATOM 0 H GLU A 29 -14.786 -7.474 3.020 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.485 -9.010 1.162 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.882 -10.046 3.324 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.532 -8.661 4.178 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.780 -9.161 3.404 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.187 -10.436 2.360 1.00 0.33 H new ATOM 468 N CYS A 30 -18.108 -7.239 0.842 1.00 0.24 N ATOM 469 CA CYS A 30 -19.186 -6.297 0.658 1.00 0.28 C ATOM 470 C CYS A 30 -20.405 -6.766 1.435 1.00 0.33 C ATOM 471 O CYS A 30 -20.929 -7.856 1.196 1.00 0.35 O ATOM 472 CB CYS A 30 -19.523 -6.155 -0.824 1.00 0.29 C ATOM 473 SG CYS A 30 -18.111 -5.709 -1.859 1.00 0.51 S ATOM 0 H CYS A 30 -17.942 -7.853 0.044 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.876 -5.321 1.031 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.941 -7.096 -1.183 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.298 -5.397 -0.939 1.00 0.29 H new ATOM 0 HG CYS A 30 -17.057 -6.356 -1.458 1.00 0.51 H new ATOM 479 N ILE A 31 -20.825 -5.957 2.386 1.00 0.39 N ATOM 480 CA ILE A 31 -21.974 -6.275 3.206 1.00 0.45 C ATOM 481 C ILE A 31 -23.242 -5.920 2.445 1.00 0.48 C ATOM 482 O ILE A 31 -24.308 -6.495 2.668 1.00 0.53 O ATOM 483 CB ILE A 31 -21.933 -5.493 4.535 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.494 -5.418 5.059 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.837 -6.157 5.564 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.342 -4.551 6.289 1.00 0.52 C ATOM 0 H ILE A 31 -20.382 -5.066 2.611 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.959 -7.341 3.434 1.00 0.45 H new ATOM 0 HB ILE A 31 -22.293 -4.480 4.358 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.147 -6.425 5.290 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.849 -5.031 4.270 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.799 -5.596 6.498 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.861 -6.174 5.192 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.499 -7.178 5.741 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.298 -4.545 6.603 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.657 -3.534 6.058 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.961 -4.949 7.093 1.00 0.52 H new ATOM 498 N GLU A 32 -23.098 -4.975 1.526 1.00 0.49 N ATOM 499 CA GLU A 32 -24.199 -4.528 0.692 1.00 0.53 C ATOM 500 C GLU A 32 -23.712 -4.315 -0.735 1.00 0.52 C ATOM 501 O GLU A 32 -22.508 -4.341 -0.994 1.00 0.51 O ATOM 502 CB GLU A 32 -24.799 -3.229 1.236 1.00 0.60 C ATOM 503 CG GLU A 32 -25.351 -3.352 2.646 1.00 0.84 C ATOM 504 CD GLU A 32 -26.134 -2.133 3.072 1.00 1.25 C ATOM 505 OE1 GLU A 32 -25.523 -1.170 3.572 1.00 1.83 O ATOM 506 OE2 GLU A 32 -27.372 -2.132 2.911 1.00 1.53 O ATOM 0 H GLU A 32 -22.215 -4.499 1.340 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.973 -5.296 0.700 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -24.034 -2.453 1.222 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.598 -2.902 0.570 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.993 -4.231 2.705 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.527 -3.512 3.342 1.00 0.84 H new ATOM 513 N ASP A 33 -24.646 -4.106 -1.650 1.00 0.62 N ATOM 514 CA ASP A 33 -24.318 -3.854 -3.050 1.00 0.65 C ATOM 515 C ASP A 33 -23.984 -2.376 -3.246 1.00 0.65 C ATOM 516 O ASP A 33 -24.765 -1.502 -2.860 1.00 0.79 O ATOM 517 CB ASP A 33 -25.502 -4.261 -3.936 1.00 0.76 C ATOM 518 CG ASP A 33 -25.190 -4.205 -5.418 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.628 -5.185 -5.951 1.00 2.18 O ATOM 520 OD2 ASP A 33 -25.484 -3.169 -6.052 1.00 2.01 O ATOM 0 H ASP A 33 -25.646 -4.106 -1.448 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.448 -4.446 -3.333 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.811 -5.273 -3.675 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -26.347 -3.606 -3.725 1.00 0.76 H new ATOM 525 N LEU A 34 -22.821 -2.100 -3.828 1.00 0.57 N ATOM 526 CA LEU A 34 -22.342 -0.728 -3.977 1.00 0.57 C ATOM 527 C LEU A 34 -22.844 -0.097 -5.269 1.00 0.64 C ATOM 528 O LEU A 34 -22.931 -0.755 -6.305 1.00 0.71 O ATOM 529 CB LEU A 34 -20.811 -0.669 -3.935 1.00 0.55 C ATOM 530 CG LEU A 34 -20.181 -0.892 -2.557 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.212 -2.358 -2.161 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.758 -0.374 -2.541 1.00 1.41 C ATOM 0 H LEU A 34 -22.191 -2.809 -4.205 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.741 -0.160 -3.137 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.417 -1.419 -4.621 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.492 0.304 -4.308 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.771 -0.337 -1.827 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.757 -2.479 -1.178 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.245 -2.704 -2.128 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.656 -2.944 -2.893 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.322 -0.539 -1.556 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.170 -0.903 -3.291 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.757 0.693 -2.765 1.00 1.41 H new ATOM 544 N SER A 35 -23.148 1.193 -5.200 1.00 0.75 N ATOM 545 CA SER A 35 -23.749 1.907 -6.315 1.00 0.89 C ATOM 546 C SER A 35 -22.698 2.552 -7.220 1.00 0.75 C ATOM 547 O SER A 35 -22.931 2.732 -8.413 1.00 0.92 O ATOM 548 CB SER A 35 -24.694 2.982 -5.776 1.00 1.14 C ATOM 549 OG SER A 35 -25.614 2.428 -4.852 1.00 1.55 O ATOM 0 H SER A 35 -22.985 1.769 -4.374 1.00 0.75 H new ATOM 0 HA SER A 35 -24.300 1.184 -6.917 1.00 0.89 H new ATOM 0 HB2 SER A 35 -24.117 3.770 -5.293 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.235 3.444 -6.602 1.00 1.14 H new ATOM 0 HG SER A 35 -26.207 3.133 -4.519 1.00 1.55 H new ATOM 555 N GLU A 36 -21.547 2.893 -6.654 1.00 0.61 N ATOM 556 CA GLU A 36 -20.525 3.623 -7.396 1.00 0.51 C ATOM 557 C GLU A 36 -19.253 2.783 -7.519 1.00 0.44 C ATOM 558 O GLU A 36 -19.171 1.688 -6.954 1.00 0.53 O ATOM 559 CB GLU A 36 -20.229 4.951 -6.685 1.00 0.63 C ATOM 560 CG GLU A 36 -19.592 6.000 -7.578 1.00 1.48 C ATOM 561 CD GLU A 36 -20.516 6.438 -8.691 1.00 2.16 C ATOM 562 OE1 GLU A 36 -21.379 7.303 -8.451 1.00 2.46 O ATOM 563 OE2 GLU A 36 -20.379 5.915 -9.815 1.00 2.95 O ATOM 0 H GLU A 36 -21.298 2.677 -5.689 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.890 3.831 -8.402 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -21.159 5.350 -6.280 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.569 4.759 -5.839 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -19.313 6.866 -6.977 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -18.673 5.600 -8.007 1.00 1.48 H new ATOM 570 N ASP A 37 -18.275 3.288 -8.270 1.00 0.37 N ATOM 571 CA ASP A 37 -16.978 2.628 -8.391 1.00 0.36 C ATOM 572 C ASP A 37 -16.272 2.620 -7.048 1.00 0.35 C ATOM 573 O ASP A 37 -16.364 3.578 -6.279 1.00 0.50 O ATOM 574 CB ASP A 37 -16.075 3.327 -9.417 1.00 0.49 C ATOM 575 CG ASP A 37 -16.548 3.179 -10.846 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.465 3.920 -11.259 1.00 1.30 O ATOM 577 OD2 ASP A 37 -16.028 2.299 -11.560 1.00 1.88 O ATOM 0 H ASP A 37 -18.358 4.153 -8.804 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.165 1.609 -8.730 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -16.015 4.387 -9.172 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -15.066 2.923 -9.334 1.00 0.49 H new ATOM 582 N LEU A 38 -15.577 1.538 -6.767 1.00 0.30 N ATOM 583 CA LEU A 38 -14.827 1.419 -5.532 1.00 0.31 C ATOM 584 C LEU A 38 -13.354 1.698 -5.810 1.00 0.28 C ATOM 585 O LEU A 38 -12.727 0.993 -6.601 1.00 0.29 O ATOM 586 CB LEU A 38 -15.023 0.017 -4.951 1.00 0.39 C ATOM 587 CG LEU A 38 -14.814 -0.119 -3.444 1.00 0.42 C ATOM 588 CD1 LEU A 38 -13.353 -0.002 -3.091 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.620 0.927 -2.692 1.00 1.32 C ATOM 0 H LEU A 38 -15.515 0.724 -7.379 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.185 2.145 -4.802 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -16.033 -0.315 -5.189 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.337 -0.663 -5.456 1.00 0.39 H new ATOM 0 HG LEU A 38 -15.163 -1.108 -3.146 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -13.230 -0.102 -2.013 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.793 -0.790 -3.595 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.978 0.971 -3.410 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.456 0.812 -1.621 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.303 1.923 -3.002 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.680 0.798 -2.913 1.00 1.32 H new ATOM 601 N GLU A 39 -12.811 2.721 -5.156 1.00 0.30 N ATOM 602 CA GLU A 39 -11.454 3.178 -5.436 1.00 0.32 C ATOM 603 C GLU A 39 -10.444 2.597 -4.455 1.00 0.31 C ATOM 604 O GLU A 39 -10.492 2.871 -3.258 1.00 0.43 O ATOM 605 CB GLU A 39 -11.393 4.707 -5.387 1.00 0.42 C ATOM 606 CG GLU A 39 -10.069 5.284 -5.868 1.00 0.50 C ATOM 607 CD GLU A 39 -10.012 6.793 -5.753 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.655 7.480 -6.573 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.325 7.302 -4.841 1.00 0.73 O ATOM 0 H GLU A 39 -13.291 3.250 -4.428 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.193 2.828 -6.435 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -12.199 5.113 -5.998 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.572 5.036 -4.363 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.256 4.849 -5.288 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.908 4.997 -6.907 1.00 0.50 H new ATOM 616 N TRP A 40 -9.545 1.782 -4.974 1.00 0.24 N ATOM 617 CA TRP A 40 -8.404 1.300 -4.206 1.00 0.23 C ATOM 618 C TRP A 40 -7.132 1.978 -4.708 1.00 0.24 C ATOM 619 O TRP A 40 -6.745 1.796 -5.865 1.00 0.28 O ATOM 620 CB TRP A 40 -8.231 -0.218 -4.345 1.00 0.24 C ATOM 621 CG TRP A 40 -9.408 -1.039 -3.914 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.460 -1.443 -4.687 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.635 -1.583 -2.610 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.324 -2.207 -3.943 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.844 -2.300 -2.663 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.934 -1.529 -1.400 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.366 -2.957 -1.556 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.454 -2.183 -0.302 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.661 -2.888 -0.387 1.00 0.40 C ATOM 0 H TRP A 40 -9.581 1.435 -5.933 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.585 1.538 -3.158 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.011 -0.448 -5.387 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.363 -0.523 -3.761 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.592 -1.197 -5.730 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.183 -2.636 -4.287 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -8.003 -0.986 -1.327 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.296 -3.503 -1.617 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.922 -2.151 0.637 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.043 -3.388 0.491 1.00 0.40 H new ATOM 640 N LYS A 41 -6.488 2.764 -3.858 1.00 0.25 N ATOM 641 CA LYS A 41 -5.236 3.412 -4.229 1.00 0.25 C ATOM 642 C LYS A 41 -4.090 2.938 -3.354 1.00 0.23 C ATOM 643 O LYS A 41 -4.244 2.791 -2.143 1.00 0.27 O ATOM 644 CB LYS A 41 -5.342 4.932 -4.110 1.00 0.37 C ATOM 645 CG LYS A 41 -5.877 5.618 -5.350 1.00 0.63 C ATOM 646 CD LYS A 41 -5.662 7.122 -5.279 1.00 0.65 C ATOM 647 CE LYS A 41 -6.301 7.832 -6.464 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.137 9.309 -6.389 1.00 1.23 N ATOM 0 H LYS A 41 -6.808 2.969 -2.911 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.038 3.141 -5.266 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.989 5.175 -3.267 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.356 5.337 -3.882 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.380 5.218 -6.234 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.940 5.404 -5.458 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -6.084 7.508 -4.351 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.594 7.338 -5.257 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.855 7.465 -7.389 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.363 7.587 -6.503 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -6.587 9.751 -7.216 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.585 9.664 -5.520 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.124 9.546 -6.379 1.00 1.23 H new ATOM 662 N ILE A 42 -2.939 2.705 -3.966 1.00 0.22 N ATOM 663 CA ILE A 42 -1.730 2.453 -3.205 1.00 0.24 C ATOM 664 C ILE A 42 -0.837 3.681 -3.263 1.00 0.25 C ATOM 665 O ILE A 42 -0.110 3.887 -4.236 1.00 0.31 O ATOM 666 CB ILE A 42 -0.925 1.230 -3.699 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.796 -0.030 -3.721 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.298 1.016 -2.812 1.00 0.37 C ATOM 669 CD1 ILE A 42 -1.003 -1.313 -3.877 1.00 0.46 C ATOM 0 H ILE A 42 -2.819 2.686 -4.979 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.048 2.233 -2.186 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.594 1.427 -4.719 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.373 -0.079 -2.797 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.511 0.047 -4.540 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.859 0.152 -3.168 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.933 1.901 -2.848 1.00 0.37 H new ATOM 0 HG23 ILE A 42 -0.023 0.842 -1.785 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.685 -2.163 -3.884 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.447 -1.285 -4.814 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.306 -1.414 -3.045 1.00 0.46 H new ATOM 681 N ILE A 43 -0.929 4.511 -2.243 1.00 0.24 N ATOM 682 CA ILE A 43 -0.102 5.695 -2.149 1.00 0.27 C ATOM 683 C ILE A 43 1.141 5.371 -1.338 1.00 0.26 C ATOM 684 O ILE A 43 1.062 5.108 -0.138 1.00 0.30 O ATOM 685 CB ILE A 43 -0.853 6.874 -1.496 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.147 7.168 -2.262 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.036 8.112 -1.453 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.952 8.313 -1.683 1.00 0.69 C ATOM 0 H ILE A 43 -1.574 4.385 -1.463 1.00 0.24 H new ATOM 0 HA ILE A 43 0.170 5.998 -3.160 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.111 6.600 -0.473 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.901 7.397 -3.299 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.765 6.270 -2.272 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.508 8.935 -0.990 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.932 7.896 -0.871 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.321 8.391 -2.468 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.853 8.462 -2.278 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.230 8.079 -0.655 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.353 9.223 -1.698 1.00 0.69 H new ATOM 700 N TYR A 44 2.275 5.349 -2.003 1.00 0.29 N ATOM 701 CA TYR A 44 3.525 5.023 -1.351 1.00 0.29 C ATOM 702 C TYR A 44 4.204 6.297 -0.863 1.00 0.28 C ATOM 703 O TYR A 44 4.107 7.345 -1.503 1.00 0.33 O ATOM 704 CB TYR A 44 4.424 4.237 -2.317 1.00 0.32 C ATOM 705 CG TYR A 44 5.790 3.893 -1.762 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.926 3.108 -0.624 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.945 4.371 -2.367 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.171 2.809 -0.108 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.194 4.079 -1.855 1.00 0.45 C ATOM 710 CZ TYR A 44 8.299 3.229 -0.763 1.00 0.49 C ATOM 711 OH TYR A 44 9.543 3.007 -0.210 1.00 0.59 O ATOM 0 H TYR A 44 2.358 5.554 -2.999 1.00 0.29 H new ATOM 0 HA TYR A 44 3.334 4.394 -0.482 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.916 3.314 -2.597 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.552 4.819 -3.229 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.043 2.725 -0.135 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.865 4.982 -3.254 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.256 2.246 0.809 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.080 4.508 -2.300 1.00 0.45 H new ATOM 0 HH TYR A 44 10.234 3.367 -0.804 1.00 0.59 H new ATOM 721 N VAL A 45 4.834 6.217 0.300 1.00 0.27 N ATOM 722 CA VAL A 45 5.617 7.326 0.819 1.00 0.28 C ATOM 723 C VAL A 45 6.862 7.512 -0.035 1.00 0.30 C ATOM 724 O VAL A 45 7.735 6.650 -0.061 1.00 0.36 O ATOM 725 CB VAL A 45 6.041 7.097 2.290 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.935 8.224 2.786 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.826 6.954 3.190 1.00 0.34 C ATOM 0 H VAL A 45 4.817 5.394 0.902 1.00 0.27 H new ATOM 0 HA VAL A 45 4.991 8.218 0.783 1.00 0.28 H new ATOM 0 HB VAL A 45 6.610 6.168 2.327 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.217 8.036 3.822 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.832 8.275 2.169 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.397 9.170 2.722 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.151 6.794 4.218 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.225 7.862 3.137 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.228 6.103 2.862 1.00 0.34 H new ATOM 737 N GLY A 46 6.920 8.615 -0.762 1.00 0.32 N ATOM 738 CA GLY A 46 8.093 8.905 -1.552 1.00 0.39 C ATOM 739 C GLY A 46 9.293 9.177 -0.679 1.00 0.41 C ATOM 740 O GLY A 46 10.323 8.529 -0.807 1.00 0.47 O ATOM 0 H GLY A 46 6.178 9.312 -0.819 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.305 8.064 -2.213 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.901 9.769 -2.188 1.00 0.39 H new ATOM 744 N SER A 47 9.150 10.141 0.217 1.00 0.43 N ATOM 745 CA SER A 47 10.200 10.476 1.149 1.00 0.48 C ATOM 746 C SER A 47 9.632 10.668 2.549 1.00 0.51 C ATOM 747 O SER A 47 8.605 11.317 2.716 1.00 0.49 O ATOM 748 CB SER A 47 10.881 11.760 0.684 1.00 0.53 C ATOM 749 OG SER A 47 11.825 12.221 1.631 1.00 1.23 O ATOM 0 H SER A 47 8.306 10.706 0.314 1.00 0.43 H new ATOM 0 HA SER A 47 10.924 9.662 1.184 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.378 11.584 -0.270 1.00 0.53 H new ATOM 0 HB3 SER A 47 10.129 12.531 0.514 1.00 0.53 H new ATOM 0 HG SER A 47 12.232 13.052 1.309 1.00 1.23 H new ATOM 755 N ALA A 48 10.283 10.089 3.550 1.00 0.62 N ATOM 756 CA ALA A 48 9.949 10.390 4.935 1.00 0.70 C ATOM 757 C ALA A 48 10.678 11.651 5.374 1.00 0.75 C ATOM 758 O ALA A 48 10.481 12.157 6.479 1.00 0.82 O ATOM 759 CB ALA A 48 10.298 9.225 5.843 1.00 0.81 C ATOM 0 H ALA A 48 11.039 9.414 3.430 1.00 0.62 H new ATOM 0 HA ALA A 48 8.874 10.556 5.009 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.039 9.475 6.872 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.740 8.342 5.533 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.367 9.020 5.778 1.00 0.81 H new ATOM 765 N GLU A 49 11.527 12.150 4.486 1.00 0.75 N ATOM 766 CA GLU A 49 12.238 13.393 4.701 1.00 0.83 C ATOM 767 C GLU A 49 11.373 14.542 4.192 1.00 0.82 C ATOM 768 O GLU A 49 11.311 15.614 4.794 1.00 0.93 O ATOM 769 CB GLU A 49 13.585 13.337 3.976 1.00 0.90 C ATOM 770 CG GLU A 49 14.418 14.600 4.080 1.00 1.06 C ATOM 771 CD GLU A 49 15.774 14.431 3.430 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.829 14.279 2.194 1.00 1.96 O ATOM 773 OE2 GLU A 49 16.794 14.454 4.154 1.00 1.99 O ATOM 0 H GLU A 49 11.739 11.700 3.596 1.00 0.75 H new ATOM 0 HA GLU A 49 12.436 13.550 5.761 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.163 12.504 4.377 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.406 13.123 2.922 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.888 15.426 3.606 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.548 14.865 5.129 1.00 1.06 H new ATOM 780 N SER A 50 10.701 14.298 3.076 1.00 0.74 N ATOM 781 CA SER A 50 9.675 15.191 2.578 1.00 0.79 C ATOM 782 C SER A 50 8.557 14.363 1.962 1.00 0.75 C ATOM 783 O SER A 50 8.668 13.882 0.835 1.00 1.26 O ATOM 784 CB SER A 50 10.253 16.178 1.564 1.00 0.96 C ATOM 785 OG SER A 50 11.244 17.002 2.162 1.00 1.72 O ATOM 0 H SER A 50 10.855 13.475 2.494 1.00 0.74 H new ATOM 0 HA SER A 50 9.274 15.778 3.404 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.686 15.632 0.726 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.454 16.799 1.160 1.00 0.96 H new ATOM 0 HG SER A 50 11.600 17.624 1.493 1.00 1.72 H new ATOM 791 N GLU A 51 7.483 14.194 2.714 1.00 0.78 N ATOM 792 CA GLU A 51 6.411 13.281 2.336 1.00 0.71 C ATOM 793 C GLU A 51 5.612 13.821 1.154 1.00 0.74 C ATOM 794 O GLU A 51 4.683 13.178 0.676 1.00 0.80 O ATOM 795 CB GLU A 51 5.498 13.030 3.537 1.00 0.85 C ATOM 796 CG GLU A 51 6.242 12.479 4.744 1.00 1.46 C ATOM 797 CD GLU A 51 5.375 12.388 5.981 1.00 1.68 C ATOM 798 OE1 GLU A 51 5.193 13.416 6.668 1.00 2.02 O ATOM 799 OE2 GLU A 51 4.852 11.290 6.263 1.00 2.09 O ATOM 0 H GLU A 51 7.327 14.680 3.597 1.00 0.78 H new ATOM 0 HA GLU A 51 6.857 12.337 2.024 1.00 0.71 H new ATOM 0 HB2 GLU A 51 5.007 13.963 3.814 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.713 12.330 3.250 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.629 11.489 4.504 1.00 1.46 H new ATOM 0 HG3 GLU A 51 7.102 13.115 4.955 1.00 1.46 H new ATOM 806 N GLU A 52 5.995 15.001 0.684 1.00 0.78 N ATOM 807 CA GLU A 52 5.405 15.605 -0.505 1.00 0.89 C ATOM 808 C GLU A 52 5.842 14.836 -1.760 1.00 0.78 C ATOM 809 O GLU A 52 5.338 15.063 -2.864 1.00 0.85 O ATOM 810 CB GLU A 52 5.846 17.068 -0.595 1.00 1.09 C ATOM 811 CG GLU A 52 5.108 17.884 -1.643 1.00 1.70 C ATOM 812 CD GLU A 52 3.633 18.033 -1.339 1.00 2.16 C ATOM 813 OE1 GLU A 52 3.274 18.915 -0.531 1.00 2.43 O ATOM 814 OE2 GLU A 52 2.823 17.285 -1.921 1.00 2.83 O ATOM 0 H GLU A 52 6.725 15.568 1.117 1.00 0.78 H new ATOM 0 HA GLU A 52 4.318 15.560 -0.437 1.00 0.89 H new ATOM 0 HB2 GLU A 52 5.705 17.538 0.379 1.00 1.09 H new ATOM 0 HB3 GLU A 52 6.914 17.100 -0.813 1.00 1.09 H new ATOM 0 HG2 GLU A 52 5.562 18.873 -1.713 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.227 17.409 -2.617 1.00 1.70 H new ATOM 821 N TYR A 53 6.792 13.926 -1.576 1.00 0.65 N ATOM 822 CA TYR A 53 7.301 13.102 -2.667 1.00 0.61 C ATOM 823 C TYR A 53 6.505 11.808 -2.806 1.00 0.52 C ATOM 824 O TYR A 53 6.912 10.904 -3.535 1.00 0.52 O ATOM 825 CB TYR A 53 8.781 12.781 -2.443 1.00 0.62 C ATOM 826 CG TYR A 53 9.684 13.979 -2.600 1.00 0.82 C ATOM 827 CD1 TYR A 53 9.810 14.613 -3.822 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.412 14.473 -1.527 1.00 0.83 C ATOM 829 CE1 TYR A 53 10.630 15.704 -3.980 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.241 15.566 -1.672 1.00 1.01 C ATOM 831 CZ TYR A 53 11.345 16.186 -2.878 1.00 1.25 C ATOM 832 OH TYR A 53 12.183 17.265 -3.053 1.00 1.48 O ATOM 0 H TYR A 53 7.229 13.739 -0.673 1.00 0.65 H new ATOM 0 HA TYR A 53 7.190 13.669 -3.591 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.908 12.368 -1.442 1.00 0.62 H new ATOM 0 HB3 TYR A 53 9.088 12.009 -3.148 1.00 0.62 H new ATOM 0 HD1 TYR A 53 9.252 14.243 -4.670 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.328 13.994 -0.563 1.00 0.83 H new ATOM 0 HE1 TYR A 53 10.722 16.184 -4.943 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.808 15.930 -0.828 1.00 1.01 H new ATOM 0 HH TYR A 53 12.611 17.488 -2.200 1.00 1.48 H new ATOM 842 N ASP A 54 5.376 11.723 -2.103 1.00 0.52 N ATOM 843 CA ASP A 54 4.506 10.552 -2.176 1.00 0.52 C ATOM 844 C ASP A 54 4.060 10.301 -3.614 1.00 0.57 C ATOM 845 O ASP A 54 3.902 11.239 -4.402 1.00 0.68 O ATOM 846 CB ASP A 54 3.276 10.734 -1.279 1.00 0.65 C ATOM 847 CG ASP A 54 2.299 11.774 -1.807 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.534 12.981 -1.590 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.296 11.387 -2.444 1.00 1.22 O ATOM 0 H ASP A 54 5.043 12.454 -1.475 1.00 0.52 H new ATOM 0 HA ASP A 54 5.075 9.690 -1.826 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.761 9.778 -1.180 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.602 11.025 -0.280 1.00 0.65 H new ATOM 854 N GLN A 55 3.878 9.038 -3.963 1.00 0.54 N ATOM 855 CA GLN A 55 3.416 8.688 -5.293 1.00 0.60 C ATOM 856 C GLN A 55 2.351 7.598 -5.241 1.00 0.46 C ATOM 857 O GLN A 55 2.493 6.598 -4.532 1.00 0.57 O ATOM 858 CB GLN A 55 4.581 8.253 -6.201 1.00 0.78 C ATOM 859 CG GLN A 55 5.298 6.975 -5.773 1.00 0.87 C ATOM 860 CD GLN A 55 6.286 7.186 -4.643 1.00 0.88 C ATOM 861 OE1 GLN A 55 5.940 7.080 -3.474 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.529 7.474 -4.988 1.00 0.81 N ATOM 0 H GLN A 55 4.043 8.243 -3.346 1.00 0.54 H new ATOM 0 HA GLN A 55 2.969 9.585 -5.721 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.200 8.115 -7.213 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.310 9.063 -6.243 1.00 0.78 H new ATOM 0 HG2 GLN A 55 4.557 6.238 -5.464 1.00 0.87 H new ATOM 0 HG3 GLN A 55 5.824 6.558 -6.632 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.779 7.554 -5.974 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.238 7.616 -4.269 1.00 0.81 H new ATOM 871 N VAL A 56 1.275 7.812 -5.982 1.00 0.41 N ATOM 872 CA VAL A 56 0.232 6.813 -6.121 1.00 0.37 C ATOM 873 C VAL A 56 0.648 5.793 -7.171 1.00 0.36 C ATOM 874 O VAL A 56 0.782 6.120 -8.353 1.00 0.44 O ATOM 875 CB VAL A 56 -1.119 7.440 -6.523 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.204 6.376 -6.624 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.525 8.518 -5.532 1.00 1.08 C ATOM 0 H VAL A 56 1.103 8.675 -6.498 1.00 0.41 H new ATOM 0 HA VAL A 56 0.100 6.332 -5.152 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.999 7.899 -7.504 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -3.147 6.843 -6.909 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.922 5.639 -7.377 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.321 5.883 -5.659 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.480 8.948 -5.833 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.621 8.081 -4.538 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.765 9.299 -5.513 1.00 1.08 H new ATOM 887 N LEU A 57 0.857 4.567 -6.732 1.00 0.34 N ATOM 888 CA LEU A 57 1.322 3.506 -7.611 1.00 0.39 C ATOM 889 C LEU A 57 0.267 3.158 -8.649 1.00 0.36 C ATOM 890 O LEU A 57 0.564 3.064 -9.838 1.00 0.48 O ATOM 891 CB LEU A 57 1.697 2.274 -6.795 1.00 0.44 C ATOM 892 CG LEU A 57 2.984 2.414 -5.986 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.190 1.204 -5.095 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.170 2.598 -6.921 1.00 0.77 C ATOM 0 H LEU A 57 0.711 4.277 -5.765 1.00 0.34 H new ATOM 0 HA LEU A 57 2.208 3.861 -8.138 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.878 2.043 -6.113 1.00 0.44 H new ATOM 0 HB3 LEU A 57 1.799 1.424 -7.470 1.00 0.44 H new ATOM 0 HG LEU A 57 2.901 3.294 -5.348 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.113 1.323 -4.527 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.350 1.111 -4.407 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.256 0.306 -5.710 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.084 2.697 -6.335 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.253 1.733 -7.578 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.025 3.497 -7.521 1.00 0.77 H new ATOM 906 N ASP A 58 -0.963 2.979 -8.194 1.00 0.31 N ATOM 907 CA ASP A 58 -2.074 2.708 -9.095 1.00 0.35 C ATOM 908 C ASP A 58 -3.392 2.963 -8.381 1.00 0.33 C ATOM 909 O ASP A 58 -3.412 3.204 -7.167 1.00 0.33 O ATOM 910 CB ASP A 58 -2.021 1.266 -9.623 1.00 0.43 C ATOM 911 CG ASP A 58 -2.877 1.080 -10.865 1.00 0.71 C ATOM 912 OD1 ASP A 58 -2.459 1.512 -11.959 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.964 0.476 -10.753 1.00 1.31 O ATOM 0 H ASP A 58 -1.218 3.016 -7.207 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.995 3.379 -9.950 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.989 1.002 -9.852 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -2.360 0.583 -8.844 1.00 0.43 H new ATOM 918 N SER A 59 -4.479 2.904 -9.129 1.00 0.42 N ATOM 919 CA SER A 59 -5.800 3.176 -8.606 1.00 0.43 C ATOM 920 C SER A 59 -6.819 2.330 -9.345 1.00 0.46 C ATOM 921 O SER A 59 -7.096 2.565 -10.524 1.00 0.58 O ATOM 922 CB SER A 59 -6.123 4.666 -8.757 1.00 0.52 C ATOM 923 OG SER A 59 -5.776 5.136 -10.051 1.00 1.09 O ATOM 0 H SER A 59 -4.467 2.665 -10.120 1.00 0.42 H new ATOM 0 HA SER A 59 -5.834 2.922 -7.546 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.186 4.831 -8.580 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.582 5.237 -8.002 1.00 0.52 H new ATOM 0 HG SER A 59 -6.066 4.485 -10.724 1.00 1.09 H new ATOM 929 N VAL A 60 -7.367 1.340 -8.669 1.00 0.39 N ATOM 930 CA VAL A 60 -8.310 0.450 -9.311 1.00 0.45 C ATOM 931 C VAL A 60 -9.733 0.748 -8.860 1.00 0.38 C ATOM 932 O VAL A 60 -10.029 0.810 -7.666 1.00 0.39 O ATOM 933 CB VAL A 60 -7.964 -1.041 -9.089 1.00 0.54 C ATOM 934 CG1 VAL A 60 -6.602 -1.360 -9.677 1.00 1.22 C ATOM 935 CG2 VAL A 60 -8.000 -1.420 -7.622 1.00 1.11 C ATOM 0 H VAL A 60 -7.178 1.134 -7.688 1.00 0.39 H new ATOM 0 HA VAL A 60 -8.238 0.636 -10.383 1.00 0.45 H new ATOM 0 HB VAL A 60 -8.725 -1.631 -9.600 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -6.372 -2.413 -9.513 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -6.610 -1.153 -10.747 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -5.844 -0.744 -9.194 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -7.751 -2.476 -7.513 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -7.276 -0.818 -7.073 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -8.999 -1.240 -7.224 1.00 1.11 H new ATOM 945 N LEU A 61 -10.590 0.985 -9.838 1.00 0.40 N ATOM 946 CA LEU A 61 -11.993 1.278 -9.594 1.00 0.39 C ATOM 947 C LEU A 61 -12.846 0.088 -10.006 1.00 0.38 C ATOM 948 O LEU A 61 -13.004 -0.178 -11.199 1.00 0.57 O ATOM 949 CB LEU A 61 -12.448 2.511 -10.395 1.00 0.51 C ATOM 950 CG LEU A 61 -12.014 3.890 -9.875 1.00 0.62 C ATOM 951 CD1 LEU A 61 -12.591 4.141 -8.496 1.00 1.31 C ATOM 952 CD2 LEU A 61 -10.498 4.044 -9.864 1.00 1.34 C ATOM 0 H LEU A 61 -10.333 0.980 -10.825 1.00 0.40 H new ATOM 0 HA LEU A 61 -12.113 1.481 -8.530 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -12.080 2.405 -11.416 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.537 2.497 -10.446 1.00 0.51 H new ATOM 0 HG LEU A 61 -12.408 4.639 -10.562 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -12.274 5.122 -8.142 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -13.679 4.107 -8.545 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -12.235 3.375 -7.808 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -10.235 5.033 -9.489 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -10.060 3.283 -9.218 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -10.113 3.926 -10.877 1.00 1.34 H new ATOM 964 N VAL A 62 -13.382 -0.644 -9.039 1.00 0.27 N ATOM 965 CA VAL A 62 -14.271 -1.742 -9.379 1.00 0.27 C ATOM 966 C VAL A 62 -15.713 -1.240 -9.377 1.00 0.26 C ATOM 967 O VAL A 62 -16.318 -1.043 -8.324 1.00 0.30 O ATOM 968 CB VAL A 62 -14.116 -2.918 -8.382 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.039 -4.070 -8.751 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.664 -3.388 -8.322 1.00 0.59 C ATOM 0 H VAL A 62 -13.223 -0.503 -8.041 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.008 -2.109 -10.371 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.401 -2.561 -7.393 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.911 -4.882 -8.036 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.074 -3.728 -8.730 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.795 -4.426 -9.752 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.578 -4.214 -7.616 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.348 -3.721 -9.311 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.028 -2.565 -7.996 1.00 0.59 H new ATOM 980 N GLY A 63 -16.221 -0.975 -10.571 1.00 0.28 N ATOM 981 CA GLY A 63 -17.586 -0.526 -10.744 1.00 0.33 C ATOM 982 C GLY A 63 -18.492 -1.611 -11.325 1.00 0.36 C ATOM 983 O GLY A 63 -18.208 -2.100 -12.418 1.00 0.42 O ATOM 0 H GLY A 63 -15.698 -1.066 -11.442 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.983 -0.203 -9.782 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.598 0.343 -11.402 1.00 0.33 H new ATOM 987 N PRO A 64 -19.570 -2.043 -10.652 1.00 0.39 N ATOM 988 CA PRO A 64 -19.842 -1.802 -9.248 1.00 0.39 C ATOM 989 C PRO A 64 -19.453 -3.021 -8.418 1.00 0.38 C ATOM 990 O PRO A 64 -19.173 -4.087 -8.968 1.00 0.41 O ATOM 991 CB PRO A 64 -21.355 -1.603 -9.242 1.00 0.48 C ATOM 992 CG PRO A 64 -21.865 -2.460 -10.360 1.00 0.55 C ATOM 993 CD PRO A 64 -20.688 -2.784 -11.257 1.00 0.48 C ATOM 0 HA PRO A 64 -19.290 -0.962 -8.826 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.788 -1.901 -8.287 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.616 -0.556 -9.397 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.313 -3.374 -9.969 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.642 -1.939 -10.920 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.489 -3.855 -11.285 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.869 -2.467 -12.284 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.408 -2.873 -7.112 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.017 -3.981 -6.261 1.00 0.40 C ATOM 1003 C VAL A 65 -20.238 -4.610 -5.596 1.00 0.41 C ATOM 1004 O VAL A 65 -20.903 -3.979 -4.777 1.00 0.48 O ATOM 1005 CB VAL A 65 -18.003 -3.540 -5.191 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.941 -4.608 -5.011 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.369 -2.211 -5.568 1.00 0.95 C ATOM 0 H VAL A 65 -19.634 -2.009 -6.619 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.538 -4.726 -6.897 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.528 -3.407 -4.245 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.228 -4.287 -4.252 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.411 -5.540 -4.696 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.420 -4.766 -5.955 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.655 -1.917 -4.798 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.852 -2.312 -6.522 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.144 -1.449 -5.654 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.562 -5.856 -5.966 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.713 -6.570 -5.417 1.00 0.48 C ATOM 1019 C PRO A 66 -21.433 -7.171 -4.047 1.00 0.39 C ATOM 1020 O PRO A 66 -20.279 -7.432 -3.695 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.959 -7.668 -6.452 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.613 -7.955 -7.024 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.837 -6.662 -6.968 1.00 0.46 C ATOM 0 HA PRO A 66 -22.567 -5.912 -5.256 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.392 -8.556 -5.992 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.655 -7.337 -7.223 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.108 -8.735 -6.454 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -20.696 -8.313 -8.050 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.801 -6.830 -6.672 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.815 -6.167 -7.939 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.498 -7.396 -3.288 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.398 -7.937 -1.943 1.00 0.36 C ATOM 1033 C ALA A 67 -21.723 -9.298 -1.958 1.00 0.34 C ATOM 1034 O ALA A 67 -22.101 -10.185 -2.724 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.777 -8.035 -1.314 1.00 0.40 C ATOM 0 H ALA A 67 -23.454 -7.208 -3.589 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.787 -7.262 -1.344 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.689 -8.442 -0.307 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.227 -7.043 -1.267 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.406 -8.691 -1.916 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.713 -9.445 -1.124 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.985 -10.688 -1.052 1.00 0.33 C ATOM 1043 C GLY A 68 -18.531 -10.453 -0.732 1.00 0.27 C ATOM 1044 O GLY A 68 -18.015 -9.355 -0.943 1.00 0.26 O ATOM 0 H GLY A 68 -20.381 -8.719 -0.489 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.429 -11.328 -0.289 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.070 -11.217 -2.001 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.870 -11.470 -0.222 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.470 -11.358 0.136 1.00 0.26 C ATOM 1050 C ARG A 69 -15.604 -11.592 -1.093 1.00 0.26 C ATOM 1051 O ARG A 69 -15.529 -12.705 -1.611 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.134 -12.354 1.233 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.797 -12.106 1.901 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.492 -13.176 2.933 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.395 -13.106 4.079 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.096 -13.572 5.288 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -13.951 -14.213 5.496 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -15.952 -13.410 6.286 1.00 2.78 N ATOM 0 H ARG A 69 -18.280 -12.387 -0.045 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.271 -10.355 0.513 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.918 -12.324 1.990 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.137 -13.359 0.811 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.009 -12.088 1.148 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.803 -11.127 2.380 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.571 -14.159 2.469 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.463 -13.066 3.275 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.309 -12.674 3.944 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.296 -14.350 4.726 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.727 -14.568 6.426 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.837 -12.929 6.126 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.726 -13.766 7.215 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.970 -10.530 -1.567 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.187 -10.588 -2.792 1.00 0.24 C ATOM 1074 C HIS A 70 -12.701 -10.658 -2.487 1.00 0.25 C ATOM 1075 O HIS A 70 -12.145 -9.771 -1.837 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.465 -9.374 -3.677 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.894 -9.240 -4.105 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.472 -10.038 -5.069 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.861 -8.390 -3.695 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.732 -9.684 -5.233 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.994 -8.688 -4.407 1.00 0.47 N ATOM 0 H HIS A 70 -14.983 -9.614 -1.119 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.483 -11.492 -3.324 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.172 -8.472 -3.139 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.836 -9.434 -4.565 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.760 -7.619 -2.946 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.430 -10.132 -5.925 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.894 -8.217 -4.314 1.00 0.47 H new ATOM 1090 N MET A 71 -12.078 -11.724 -2.951 1.00 0.33 N ATOM 1091 CA MET A 71 -10.645 -11.923 -2.806 1.00 0.38 C ATOM 1092 C MET A 71 -9.920 -11.477 -4.076 1.00 0.38 C ATOM 1093 O MET A 71 -9.969 -12.162 -5.100 1.00 0.48 O ATOM 1094 CB MET A 71 -10.380 -13.408 -2.527 1.00 0.47 C ATOM 1095 CG MET A 71 -8.915 -13.795 -2.466 1.00 0.60 C ATOM 1096 SD MET A 71 -8.693 -15.584 -2.376 1.00 0.80 S ATOM 1097 CE MET A 71 -9.559 -16.100 -3.858 1.00 1.80 C ATOM 0 H MET A 71 -12.552 -12.482 -3.442 1.00 0.33 H new ATOM 0 HA MET A 71 -10.269 -11.325 -1.976 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.851 -13.674 -1.581 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.865 -14.001 -3.303 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.401 -13.410 -3.347 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.452 -13.328 -1.597 1.00 0.60 H new ATOM 0 HE1 MET A 71 -9.130 -17.033 -4.224 1.00 1.80 H new ATOM 0 HE2 MET A 71 -10.614 -16.252 -3.629 1.00 1.80 H new ATOM 0 HE3 MET A 71 -9.461 -15.330 -4.623 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.257 -10.328 -4.025 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.569 -9.805 -5.197 1.00 0.31 C ATOM 1109 C PHE A 72 -7.143 -9.389 -4.844 1.00 0.29 C ATOM 1110 O PHE A 72 -6.877 -8.897 -3.748 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.347 -8.624 -5.815 1.00 0.33 C ATOM 1112 CG PHE A 72 -9.027 -7.267 -5.235 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.483 -6.918 -3.971 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.276 -6.340 -5.944 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.200 -5.680 -3.430 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.990 -5.101 -5.405 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.418 -4.762 -4.188 1.00 0.29 C ATOM 0 H PHE A 72 -9.182 -9.745 -3.191 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.519 -10.600 -5.941 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -9.147 -8.599 -6.886 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.414 -8.810 -5.694 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.068 -7.626 -3.402 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.911 -6.590 -6.929 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.565 -5.412 -2.449 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.409 -4.394 -5.979 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.172 -3.793 -3.778 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.226 -9.603 -5.771 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.841 -9.234 -5.558 1.00 0.29 C ATOM 1129 C VAL A 73 -4.527 -7.895 -6.211 1.00 0.30 C ATOM 1130 O VAL A 73 -4.862 -7.654 -7.372 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.858 -10.307 -6.074 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.864 -11.525 -5.168 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.194 -10.718 -7.491 1.00 1.00 C ATOM 0 H VAL A 73 -6.417 -10.030 -6.677 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.707 -9.151 -4.479 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.860 -9.869 -6.068 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.164 -12.267 -5.552 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.566 -11.231 -4.162 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.866 -11.952 -5.139 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.485 -11.474 -7.828 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.204 -11.127 -7.521 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.135 -9.848 -8.146 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.908 -7.022 -5.443 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.479 -5.726 -5.929 1.00 0.25 C ATOM 1145 C PHE A 74 -1.967 -5.756 -6.107 1.00 0.25 C ATOM 1146 O PHE A 74 -1.242 -6.159 -5.198 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.881 -4.641 -4.925 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.925 -3.240 -5.480 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.896 -2.780 -6.285 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.997 -2.397 -5.228 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.933 -1.510 -6.824 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -5.042 -1.127 -5.770 1.00 0.44 C ATOM 1153 CZ PHE A 74 -4.002 -0.632 -6.437 1.00 0.31 C ATOM 0 H PHE A 74 -3.688 -7.191 -4.462 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.954 -5.501 -6.884 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.864 -4.887 -4.522 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.180 -4.663 -4.090 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.054 -3.423 -6.494 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.807 -2.738 -4.600 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -2.175 -1.184 -7.521 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.933 -0.528 -5.651 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.962 0.418 -6.685 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.499 -5.348 -7.274 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.075 -5.381 -7.568 1.00 0.27 C ATOM 1165 C GLN A 75 0.385 -4.073 -8.187 1.00 0.32 C ATOM 1166 O GLN A 75 -0.248 -3.551 -9.107 1.00 0.41 O ATOM 1167 CB GLN A 75 0.270 -6.530 -8.515 1.00 0.32 C ATOM 1168 CG GLN A 75 0.090 -7.916 -7.921 1.00 0.49 C ATOM 1169 CD GLN A 75 0.483 -9.009 -8.894 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.047 -10.119 -8.850 1.00 1.14 O ATOM 1171 NE2 GLN A 75 1.407 -8.700 -9.793 1.00 1.12 N ATOM 0 H GLN A 75 -2.081 -4.991 -8.032 1.00 0.24 H new ATOM 0 HA GLN A 75 0.442 -5.533 -6.621 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.352 -6.448 -9.406 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.305 -6.419 -8.837 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.692 -8.003 -7.016 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -0.951 -8.051 -7.626 1.00 0.49 H new ATOM 0 HE21 GLN A 75 1.823 -7.769 -9.797 1.00 1.12 H new ATOM 0 HE22 GLN A 75 1.702 -9.394 -10.480 1.00 1.12 H new ATOM 1180 N ALA A 76 1.484 -3.550 -7.670 1.00 0.36 N ATOM 1181 CA ALA A 76 2.108 -2.361 -8.234 1.00 0.46 C ATOM 1182 C ALA A 76 3.622 -2.461 -8.113 1.00 0.40 C ATOM 1183 O ALA A 76 4.144 -2.638 -7.017 1.00 0.48 O ATOM 1184 CB ALA A 76 1.590 -1.113 -7.542 1.00 0.56 C ATOM 0 H ALA A 76 1.966 -3.931 -6.856 1.00 0.36 H new ATOM 0 HA ALA A 76 1.850 -2.292 -9.291 1.00 0.46 H new ATOM 0 HB1 ALA A 76 2.066 -0.233 -7.975 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.510 -1.044 -7.676 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.821 -1.164 -6.478 1.00 0.56 H new ATOM 1190 N ASP A 77 4.323 -2.356 -9.236 1.00 0.56 N ATOM 1191 CA ASP A 77 5.773 -2.545 -9.254 1.00 0.61 C ATOM 1192 C ASP A 77 6.506 -1.385 -8.591 1.00 0.43 C ATOM 1193 O ASP A 77 5.889 -0.502 -7.990 1.00 0.47 O ATOM 1194 CB ASP A 77 6.284 -2.752 -10.685 1.00 0.95 C ATOM 1195 CG ASP A 77 5.950 -1.600 -11.610 1.00 1.54 C ATOM 1196 OD1 ASP A 77 6.716 -0.617 -11.626 1.00 2.06 O ATOM 1197 OD2 ASP A 77 4.922 -1.669 -12.316 1.00 2.13 O ATOM 0 H ASP A 77 3.914 -2.142 -10.145 1.00 0.56 H new ATOM 0 HA ASP A 77 5.984 -3.444 -8.676 1.00 0.61 H new ATOM 0 HB2 ASP A 77 7.365 -2.889 -10.662 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.855 -3.669 -11.088 1.00 0.95 H new ATOM 1202 N ALA A 78 7.830 -1.407 -8.705 1.00 0.45 N ATOM 1203 CA ALA A 78 8.698 -0.456 -8.024 1.00 0.36 C ATOM 1204 C ALA A 78 8.307 0.991 -8.305 1.00 0.37 C ATOM 1205 O ALA A 78 8.178 1.400 -9.460 1.00 0.46 O ATOM 1206 CB ALA A 78 10.142 -0.692 -8.432 1.00 0.40 C ATOM 0 H ALA A 78 8.332 -2.088 -9.275 1.00 0.45 H new ATOM 0 HA ALA A 78 8.584 -0.620 -6.952 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.786 0.022 -7.919 1.00 0.40 H new ATOM 0 HB2 ALA A 78 10.436 -1.706 -8.160 1.00 0.40 H new ATOM 0 HB3 ALA A 78 10.241 -0.562 -9.510 1.00 0.40 H new ATOM 1212 N PRO A 79 8.103 1.775 -7.238 1.00 0.34 N ATOM 1213 CA PRO A 79 7.805 3.203 -7.343 1.00 0.43 C ATOM 1214 C PRO A 79 8.993 3.991 -7.883 1.00 0.41 C ATOM 1215 O PRO A 79 10.096 3.458 -8.006 1.00 0.47 O ATOM 1216 CB PRO A 79 7.503 3.629 -5.899 1.00 0.47 C ATOM 1217 CG PRO A 79 7.307 2.359 -5.142 1.00 0.53 C ATOM 1218 CD PRO A 79 8.135 1.326 -5.843 1.00 0.33 C ATOM 0 HA PRO A 79 6.982 3.394 -8.032 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.324 4.212 -5.482 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.612 4.255 -5.853 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.621 2.471 -4.104 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.256 2.072 -5.128 1.00 0.53 H new ATOM 0 HD2 PRO A 79 9.152 1.290 -5.453 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.715 0.326 -5.730 1.00 0.33 H new ATOM 1226 N ASN A 80 8.750 5.261 -8.192 1.00 0.43 N ATOM 1227 CA ASN A 80 9.770 6.153 -8.745 1.00 0.46 C ATOM 1228 C ASN A 80 11.028 6.179 -7.870 1.00 0.40 C ATOM 1229 O ASN A 80 11.005 6.703 -6.755 1.00 0.39 O ATOM 1230 CB ASN A 80 9.196 7.570 -8.864 1.00 0.56 C ATOM 1231 CG ASN A 80 10.049 8.500 -9.710 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.269 8.374 -9.769 1.00 2.19 O ATOM 1233 ND2 ASN A 80 9.407 9.449 -10.369 1.00 1.59 N ATOM 0 H ASN A 80 7.840 5.704 -8.067 1.00 0.43 H new ATOM 0 HA ASN A 80 10.053 5.779 -9.729 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.197 7.514 -9.295 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.089 7.995 -7.866 1.00 0.56 H new ATOM 0 HD21 ASN A 80 9.926 10.107 -10.950 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.392 9.523 -10.296 1.00 1.59 H new ATOM 1240 N PRO A 81 12.146 5.621 -8.374 1.00 0.41 N ATOM 1241 CA PRO A 81 13.430 5.600 -7.660 1.00 0.41 C ATOM 1242 C PRO A 81 14.066 6.987 -7.573 1.00 0.43 C ATOM 1243 O PRO A 81 15.052 7.194 -6.867 1.00 0.48 O ATOM 1244 CB PRO A 81 14.308 4.663 -8.504 1.00 0.47 C ATOM 1245 CG PRO A 81 13.374 3.983 -9.448 1.00 0.54 C ATOM 1246 CD PRO A 81 12.247 4.946 -9.674 1.00 0.48 C ATOM 0 HA PRO A 81 13.310 5.271 -6.628 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.073 5.222 -9.043 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.826 3.939 -7.875 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.874 3.740 -10.385 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.009 3.045 -9.029 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.466 5.646 -10.480 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.322 4.434 -9.939 1.00 0.48 H new ATOM 1254 N GLY A 82 13.506 7.927 -8.317 1.00 0.45 N ATOM 1255 CA GLY A 82 13.950 9.301 -8.248 1.00 0.49 C ATOM 1256 C GLY A 82 13.105 10.111 -7.288 1.00 0.48 C ATOM 1257 O GLY A 82 13.410 11.267 -6.999 1.00 0.51 O ATOM 0 H GLY A 82 12.744 7.759 -8.974 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.993 9.332 -7.931 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.905 9.749 -9.241 1.00 0.49 H new ATOM 1261 N LEU A 83 12.026 9.501 -6.807 1.00 0.46 N ATOM 1262 CA LEU A 83 11.162 10.132 -5.817 1.00 0.49 C ATOM 1263 C LEU A 83 11.551 9.689 -4.413 1.00 0.46 C ATOM 1264 O LEU A 83 11.326 10.409 -3.441 1.00 0.52 O ATOM 1265 CB LEU A 83 9.689 9.808 -6.092 1.00 0.52 C ATOM 1266 CG LEU A 83 8.944 10.843 -6.938 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.517 10.392 -7.203 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.950 12.196 -6.247 1.00 1.34 C ATOM 0 H LEU A 83 11.729 8.567 -7.089 1.00 0.46 H new ATOM 0 HA LEU A 83 11.292 11.212 -5.890 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.633 8.842 -6.595 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.172 9.701 -5.138 1.00 0.52 H new ATOM 0 HG LEU A 83 9.458 10.938 -7.894 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.005 11.142 -7.806 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.529 9.442 -7.738 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.993 10.268 -6.255 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.416 12.921 -6.862 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.460 12.111 -5.277 1.00 1.34 H new ATOM 0 HD23 LEU A 83 9.979 12.528 -6.106 1.00 1.34 H new ATOM 1280 N ILE A 84 12.130 8.498 -4.317 1.00 0.41 N ATOM 1281 CA ILE A 84 12.642 7.999 -3.051 1.00 0.40 C ATOM 1282 C ILE A 84 14.022 8.603 -2.787 1.00 0.46 C ATOM 1283 O ILE A 84 14.942 8.435 -3.585 1.00 0.52 O ATOM 1284 CB ILE A 84 12.735 6.459 -3.045 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.389 5.844 -3.443 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.164 5.957 -1.671 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.419 4.335 -3.566 1.00 0.33 C ATOM 0 H ILE A 84 12.256 7.861 -5.103 1.00 0.41 H new ATOM 0 HA ILE A 84 11.949 8.294 -2.263 1.00 0.40 H new ATOM 0 HB ILE A 84 13.486 6.153 -3.774 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.639 6.124 -2.703 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.072 6.271 -4.395 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.225 4.869 -1.684 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.140 6.372 -1.421 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.434 6.271 -0.925 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.431 3.973 -3.850 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.144 4.046 -4.327 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.704 3.898 -2.609 1.00 0.33 H new ATOM 1299 N PRO A 85 14.171 9.327 -1.669 1.00 0.48 N ATOM 1300 CA PRO A 85 15.394 10.062 -1.356 1.00 0.57 C ATOM 1301 C PRO A 85 16.508 9.163 -0.832 1.00 0.56 C ATOM 1302 O PRO A 85 16.261 8.042 -0.372 1.00 0.55 O ATOM 1303 CB PRO A 85 14.938 11.046 -0.284 1.00 0.68 C ATOM 1304 CG PRO A 85 13.820 10.355 0.409 1.00 0.81 C ATOM 1305 CD PRO A 85 13.164 9.460 -0.607 1.00 0.50 C ATOM 0 HA PRO A 85 15.824 10.536 -2.238 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.747 11.282 0.407 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.610 11.988 -0.724 1.00 0.68 H new ATOM 0 HG2 PRO A 85 14.189 9.774 1.254 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.106 11.077 0.806 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.906 8.492 -0.178 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.240 9.897 -0.986 1.00 0.50 H new ATOM 1313 N ASP A 86 17.732 9.674 -0.882 1.00 0.67 N ATOM 1314 CA ASP A 86 18.917 8.903 -0.512 1.00 0.76 C ATOM 1315 C ASP A 86 18.881 8.475 0.953 1.00 0.78 C ATOM 1316 O ASP A 86 19.411 7.421 1.310 1.00 0.86 O ATOM 1317 CB ASP A 86 20.188 9.713 -0.774 1.00 0.98 C ATOM 1318 CG ASP A 86 20.359 10.081 -2.233 1.00 1.52 C ATOM 1319 OD1 ASP A 86 20.474 9.163 -3.071 1.00 1.92 O ATOM 1320 OD2 ASP A 86 20.387 11.284 -2.550 1.00 2.29 O ATOM 0 H ASP A 86 17.933 10.629 -1.178 1.00 0.67 H new ATOM 0 HA ASP A 86 18.921 8.005 -1.130 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.163 10.623 -0.175 1.00 0.98 H new ATOM 0 HB3 ASP A 86 21.054 9.138 -0.445 1.00 0.98 H new ATOM 1325 N ALA A 87 18.265 9.288 1.800 1.00 0.83 N ATOM 1326 CA ALA A 87 18.198 8.983 3.223 1.00 0.99 C ATOM 1327 C ALA A 87 17.103 7.966 3.530 1.00 0.90 C ATOM 1328 O ALA A 87 17.267 7.113 4.401 1.00 1.07 O ATOM 1329 CB ALA A 87 17.978 10.253 4.031 1.00 1.25 C ATOM 0 H ALA A 87 17.807 10.158 1.529 1.00 0.83 H new ATOM 0 HA ALA A 87 19.153 8.541 3.509 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.931 10.006 5.092 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.803 10.943 3.856 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.042 10.721 3.725 1.00 1.25 H new ATOM 1335 N ASP A 88 15.999 8.043 2.795 1.00 0.76 N ATOM 1336 CA ASP A 88 14.832 7.211 3.084 1.00 0.78 C ATOM 1337 C ASP A 88 14.974 5.819 2.484 1.00 0.62 C ATOM 1338 O ASP A 88 14.518 4.836 3.066 1.00 0.64 O ATOM 1339 CB ASP A 88 13.564 7.867 2.546 1.00 0.99 C ATOM 1340 CG ASP A 88 12.309 7.125 2.953 1.00 1.41 C ATOM 1341 OD1 ASP A 88 11.814 7.348 4.072 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.832 6.300 2.152 1.00 1.94 O ATOM 0 H ASP A 88 15.886 8.669 1.998 1.00 0.76 H new ATOM 0 HA ASP A 88 14.763 7.114 4.167 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.509 8.894 2.908 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.617 7.915 1.458 1.00 0.99 H new ATOM 1347 N ALA A 89 15.625 5.740 1.326 1.00 0.54 N ATOM 1348 CA ALA A 89 15.789 4.475 0.616 1.00 0.49 C ATOM 1349 C ALA A 89 16.508 3.439 1.471 1.00 0.44 C ATOM 1350 O ALA A 89 16.315 2.241 1.305 1.00 0.51 O ATOM 1351 CB ALA A 89 16.539 4.696 -0.688 1.00 0.48 C ATOM 0 H ALA A 89 16.049 6.541 0.858 1.00 0.54 H new ATOM 0 HA ALA A 89 14.794 4.088 0.395 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.654 3.745 -1.207 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.979 5.387 -1.317 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.523 5.115 -0.476 1.00 0.48 H new ATOM 1357 N VAL A 90 17.341 3.902 2.386 1.00 0.41 N ATOM 1358 CA VAL A 90 18.065 3.006 3.273 1.00 0.43 C ATOM 1359 C VAL A 90 17.380 2.955 4.643 1.00 0.43 C ATOM 1360 O VAL A 90 18.036 2.894 5.685 1.00 0.49 O ATOM 1361 CB VAL A 90 19.533 3.456 3.449 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.375 2.329 4.024 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.112 3.937 2.128 1.00 0.54 C ATOM 0 H VAL A 90 17.534 4.893 2.535 1.00 0.41 H new ATOM 0 HA VAL A 90 18.059 2.014 2.822 1.00 0.43 H new ATOM 0 HB VAL A 90 19.550 4.289 4.152 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.405 2.667 4.140 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.977 2.037 4.996 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.348 1.474 3.349 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.146 4.249 2.276 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.078 3.127 1.399 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.528 4.781 1.760 1.00 0.54 H new ATOM 1373 N GLY A 91 16.057 2.952 4.644 1.00 0.42 N ATOM 1374 CA GLY A 91 15.330 3.051 5.894 1.00 0.46 C ATOM 1375 C GLY A 91 13.931 2.488 5.804 1.00 0.43 C ATOM 1376 O GLY A 91 13.634 1.689 4.914 1.00 0.62 O ATOM 0 H GLY A 91 15.475 2.883 3.809 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.880 2.522 6.672 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.277 4.097 6.196 1.00 0.46 H new ATOM 1380 N VAL A 92 13.073 2.899 6.728 1.00 0.40 N ATOM 1381 CA VAL A 92 11.704 2.411 6.760 1.00 0.38 C ATOM 1382 C VAL A 92 10.755 3.414 6.110 1.00 0.36 C ATOM 1383 O VAL A 92 10.740 4.598 6.452 1.00 0.55 O ATOM 1384 CB VAL A 92 11.241 2.085 8.205 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.338 3.302 9.114 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.826 1.525 8.206 1.00 1.23 C ATOM 0 H VAL A 92 13.302 3.568 7.463 1.00 0.40 H new ATOM 0 HA VAL A 92 11.678 1.484 6.188 1.00 0.38 H new ATOM 0 HB VAL A 92 11.914 1.324 8.600 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.005 3.034 10.117 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.372 3.645 9.154 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.706 4.100 8.723 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.523 1.304 9.229 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.144 2.259 7.776 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.796 0.611 7.613 1.00 1.23 H new ATOM 1396 N THR A 93 9.981 2.926 5.162 1.00 0.28 N ATOM 1397 CA THR A 93 9.027 3.727 4.441 1.00 0.28 C ATOM 1398 C THR A 93 7.651 3.090 4.615 1.00 0.27 C ATOM 1399 O THR A 93 7.555 1.965 5.099 1.00 0.41 O ATOM 1400 CB THR A 93 9.411 3.793 2.951 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.838 3.853 2.818 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.799 5.009 2.292 1.00 0.59 C ATOM 0 H THR A 93 10.001 1.949 4.871 1.00 0.28 H new ATOM 0 HA THR A 93 9.015 4.746 4.827 1.00 0.28 H new ATOM 0 HB THR A 93 9.031 2.897 2.461 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.114 4.782 2.672 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.084 5.035 1.240 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.713 4.959 2.373 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.158 5.911 2.787 1.00 0.59 H new ATOM 1410 N VAL A 94 6.589 3.786 4.263 1.00 0.25 N ATOM 1411 CA VAL A 94 5.257 3.246 4.486 1.00 0.25 C ATOM 1412 C VAL A 94 4.488 3.111 3.177 1.00 0.24 C ATOM 1413 O VAL A 94 4.533 4.000 2.326 1.00 0.28 O ATOM 1414 CB VAL A 94 4.448 4.131 5.464 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.135 3.463 5.845 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.263 4.452 6.708 1.00 0.32 C ATOM 0 H VAL A 94 6.616 4.709 3.830 1.00 0.25 H new ATOM 0 HA VAL A 94 5.386 2.257 4.926 1.00 0.25 H new ATOM 0 HB VAL A 94 4.219 5.067 4.954 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.586 4.106 6.533 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.538 3.297 4.948 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.340 2.507 6.327 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.672 5.075 7.379 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.532 3.526 7.216 1.00 0.32 H new ATOM 0 HG23 VAL A 94 6.169 4.986 6.422 1.00 0.32 H new ATOM 1426 N VAL A 95 3.804 1.988 3.007 1.00 0.22 N ATOM 1427 CA VAL A 95 2.881 1.832 1.896 1.00 0.22 C ATOM 1428 C VAL A 95 1.464 1.966 2.404 1.00 0.24 C ATOM 1429 O VAL A 95 1.092 1.358 3.409 1.00 0.34 O ATOM 1430 CB VAL A 95 3.027 0.488 1.150 1.00 0.26 C ATOM 1431 CG1 VAL A 95 4.315 0.445 0.375 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.944 -0.695 2.097 1.00 0.60 C ATOM 0 H VAL A 95 3.871 1.177 3.622 1.00 0.22 H new ATOM 0 HA VAL A 95 3.122 2.616 1.178 1.00 0.22 H new ATOM 0 HB VAL A 95 2.193 0.415 0.452 1.00 0.26 H new ATOM 0 HG11 VAL A 95 4.397 -0.511 -0.142 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.328 1.255 -0.354 1.00 0.54 H new ATOM 0 HG13 VAL A 95 5.155 0.560 1.059 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.051 -1.621 1.532 1.00 0.60 H new ATOM 0 HG22 VAL A 95 3.742 -0.626 2.836 1.00 0.60 H new ATOM 0 HG23 VAL A 95 1.979 -0.689 2.604 1.00 0.60 H new ATOM 1442 N LEU A 96 0.684 2.780 1.729 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.679 3.018 2.155 1.00 0.26 C ATOM 1444 C LEU A 96 -1.661 2.595 1.094 1.00 0.24 C ATOM 1445 O LEU A 96 -1.606 3.046 -0.044 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.915 4.486 2.467 1.00 0.44 C ATOM 1447 CG LEU A 96 0.060 5.122 3.457 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.136 6.628 3.498 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.131 4.527 4.842 1.00 1.21 C ATOM 0 H LEU A 96 0.966 3.285 0.889 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.832 2.425 3.057 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -0.873 5.047 1.534 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -1.926 4.596 2.860 1.00 0.44 H new ATOM 0 HG LEU A 96 1.077 4.913 3.126 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.565 7.067 4.208 1.00 1.13 H new ATOM 0 HD12 LEU A 96 0.042 7.045 2.507 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.156 6.854 3.809 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.570 4.990 5.537 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.151 4.711 5.180 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.051 3.453 4.805 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.560 1.736 1.481 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.676 1.379 0.639 1.00 0.24 C ATOM 1463 C ILE A 97 -4.912 2.092 1.152 1.00 0.26 C ATOM 1464 O ILE A 97 -5.592 1.613 2.062 1.00 0.28 O ATOM 1465 CB ILE A 97 -3.925 -0.144 0.592 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.673 -0.871 0.095 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.119 -0.460 -0.305 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -2.858 -2.364 -0.045 1.00 0.30 C ATOM 0 H ILE A 97 -2.545 1.263 2.384 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.444 1.686 -0.381 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.150 -0.492 1.600 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.381 -0.457 -0.870 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.852 -0.678 0.786 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.282 -1.538 -0.328 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.009 0.033 0.086 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.920 -0.102 -1.315 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -1.931 -2.814 -0.401 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.120 -2.791 0.923 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.657 -2.566 -0.758 1.00 0.30 H new ATOM 1480 N THR A 98 -5.155 3.267 0.613 1.00 0.29 N ATOM 1481 CA THR A 98 -6.302 4.048 1.002 1.00 0.33 C ATOM 1482 C THR A 98 -7.425 3.803 0.016 1.00 0.28 C ATOM 1483 O THR A 98 -7.212 3.772 -1.200 1.00 0.37 O ATOM 1484 CB THR A 98 -5.972 5.556 1.100 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.128 6.299 1.500 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.445 6.094 -0.222 1.00 1.07 C ATOM 0 H THR A 98 -4.568 3.702 -0.099 1.00 0.29 H new ATOM 0 HA THR A 98 -6.613 3.733 1.998 1.00 0.33 H new ATOM 0 HB THR A 98 -5.193 5.674 1.853 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.868 7.219 1.713 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.223 7.156 -0.120 1.00 1.07 H new ATOM 0 HG22 THR A 98 -4.537 5.558 -0.497 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.198 5.954 -0.998 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.605 3.590 0.540 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.727 3.235 -0.285 1.00 0.29 C ATOM 1496 C CYS A 99 -10.786 4.321 -0.228 1.00 0.31 C ATOM 1497 O CYS A 99 -11.311 4.650 0.842 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.281 1.887 0.154 1.00 0.36 C ATOM 1499 SG CYS A 99 -11.536 1.228 -0.948 1.00 1.32 S ATOM 0 H CYS A 99 -8.812 3.657 1.537 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.403 3.146 -1.322 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -9.461 1.173 0.224 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -10.704 1.986 1.154 1.00 0.36 H new ATOM 0 HG CYS A 99 -12.699 1.706 -0.617 1.00 1.32 H new ATOM 1505 N THR A 100 -11.086 4.871 -1.389 1.00 0.34 N ATOM 1506 CA THR A 100 -11.958 6.018 -1.503 1.00 0.38 C ATOM 1507 C THR A 100 -13.328 5.615 -2.044 1.00 0.37 C ATOM 1508 O THR A 100 -13.432 4.762 -2.926 1.00 0.41 O ATOM 1509 CB THR A 100 -11.335 7.054 -2.456 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.926 7.153 -2.221 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.968 8.424 -2.276 1.00 0.50 C ATOM 0 H THR A 100 -10.729 4.531 -2.282 1.00 0.34 H new ATOM 0 HA THR A 100 -12.081 6.446 -0.508 1.00 0.38 H new ATOM 0 HB THR A 100 -11.519 6.717 -3.476 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.468 7.364 -3.061 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.505 9.132 -2.964 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.036 8.361 -2.484 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.817 8.763 -1.251 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.372 6.217 -1.498 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.711 6.051 -2.032 1.00 0.40 C ATOM 1521 C TYR A 101 -16.441 7.391 -1.985 1.00 0.44 C ATOM 1522 O TYR A 101 -16.557 8.001 -0.921 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.481 4.988 -1.242 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.764 4.538 -1.908 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.736 3.788 -3.079 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.000 4.848 -1.362 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.905 3.365 -3.684 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.172 4.430 -1.962 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.121 3.688 -3.121 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.292 3.272 -3.716 1.00 0.65 O ATOM 0 H TYR A 101 -14.316 6.827 -0.682 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.645 5.714 -3.066 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.837 4.121 -1.094 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.715 5.383 -0.254 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.785 3.532 -3.523 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -19.047 5.427 -0.451 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.866 2.784 -4.594 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.126 4.684 -1.523 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.056 3.585 -3.188 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.874 7.864 -3.153 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.621 9.121 -3.278 1.00 0.59 C ATOM 1542 C ARG A 102 -16.721 10.327 -3.009 1.00 0.57 C ATOM 1543 O ARG A 102 -17.204 11.426 -2.737 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.827 9.145 -2.328 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.807 8.005 -2.553 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.505 8.122 -3.897 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.369 9.297 -3.958 1.00 1.26 N ATOM 1548 CZ ARG A 102 -21.866 9.806 -5.084 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -21.591 9.242 -6.255 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.656 10.870 -5.036 1.00 2.45 N ATOM 0 H ARG A 102 -16.718 7.388 -4.042 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.985 9.182 -4.304 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.468 9.106 -1.299 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.353 10.093 -2.447 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.277 7.054 -2.499 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.550 8.001 -1.756 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -19.760 8.177 -4.690 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.097 7.225 -4.078 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.608 9.759 -3.080 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.996 8.414 -6.295 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -21.975 9.637 -7.114 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -22.882 11.297 -4.138 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.038 11.261 -5.897 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.412 10.121 -3.106 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.474 11.197 -2.852 1.00 0.53 C ATOM 1566 C GLY A 103 -14.039 11.232 -1.402 1.00 0.49 C ATOM 1567 O GLY A 103 -13.272 12.101 -0.988 1.00 0.57 O ATOM 0 H GLY A 103 -14.985 9.229 -3.356 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.599 11.076 -3.491 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.933 12.150 -3.117 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.535 10.277 -0.632 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.227 10.183 0.785 1.00 0.44 C ATOM 1573 C GLN A 104 -13.589 8.833 1.087 1.00 0.37 C ATOM 1574 O GLN A 104 -14.177 7.789 0.804 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.509 10.356 1.602 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.208 11.682 1.361 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.454 11.850 2.205 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.827 12.963 2.565 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -18.110 10.747 2.532 1.00 0.98 N ATOM 0 H GLN A 104 -15.161 9.547 -0.971 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.525 10.971 1.055 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.195 9.544 1.362 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.269 10.268 2.662 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.516 12.497 1.576 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.475 11.761 0.307 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.771 9.839 2.215 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.955 10.806 3.101 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.381 8.850 1.626 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.701 7.615 1.983 1.00 0.32 C ATOM 1590 C GLU A 105 -12.299 7.060 3.263 1.00 0.32 C ATOM 1591 O GLU A 105 -12.576 7.809 4.199 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.200 7.848 2.163 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.585 8.721 1.084 1.00 0.49 C ATOM 1594 CD GLU A 105 -9.460 10.168 1.514 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -10.503 10.822 1.741 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -8.315 10.661 1.627 1.00 1.59 O ATOM 0 H GLU A 105 -11.853 9.700 1.825 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.836 6.897 1.175 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -10.027 8.310 3.135 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.690 6.885 2.173 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -8.599 8.335 0.826 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.195 8.664 0.183 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.518 5.755 3.299 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.119 5.129 4.469 1.00 0.27 C ATOM 1605 C PHE A 106 -12.150 4.176 5.153 1.00 0.26 C ATOM 1606 O PHE A 106 -12.432 3.674 6.238 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.413 4.397 4.098 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.268 3.400 2.985 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.424 3.786 1.664 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.961 2.079 3.261 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.279 2.871 0.640 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.813 1.163 2.242 1.00 0.31 C ATOM 1613 CZ PHE A 106 -14.028 1.558 0.927 1.00 0.31 C ATOM 0 H PHE A 106 -12.292 5.113 2.540 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.361 5.925 5.173 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.791 3.883 4.982 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.163 5.134 3.813 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.662 4.814 1.432 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.836 1.763 4.286 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.364 3.193 -0.388 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.532 0.144 2.464 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.997 0.828 0.132 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.024 3.897 4.515 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.993 3.087 5.141 1.00 0.24 C ATOM 1625 C ILE A 107 -8.637 3.389 4.523 1.00 0.22 C ATOM 1626 O ILE A 107 -8.549 3.755 3.352 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.286 1.570 5.058 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.336 0.814 5.996 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.159 1.062 3.626 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.497 -0.695 5.947 1.00 0.37 C ATOM 0 H ILE A 107 -10.803 4.217 3.572 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.985 3.353 6.198 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.314 1.392 5.374 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.308 1.069 5.739 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.503 1.155 7.018 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.370 -0.007 3.599 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.869 1.589 2.989 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.146 1.241 3.265 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.792 -1.159 6.637 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.514 -0.962 6.234 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.301 -1.049 4.935 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.593 3.252 5.316 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.246 3.418 4.833 1.00 0.24 C ATOM 1644 C ARG A 108 -5.319 2.418 5.518 1.00 0.24 C ATOM 1645 O ARG A 108 -5.082 2.499 6.727 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.795 4.841 5.101 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.368 5.124 4.697 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.950 6.482 5.204 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.222 6.625 6.632 1.00 0.60 N ATOM 1650 CZ ARG A 108 -4.074 7.773 7.301 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.816 8.895 6.640 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.237 7.809 8.621 1.00 0.95 N ATOM 0 H ARG A 108 -7.659 3.024 6.308 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.212 3.231 3.760 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.454 5.526 4.568 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.909 5.052 6.164 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.708 4.356 5.101 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.274 5.087 3.612 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.886 6.630 5.018 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.481 7.257 4.652 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.542 5.805 7.147 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.731 8.880 5.624 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.703 9.772 7.148 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.476 6.957 9.129 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -4.123 8.688 9.125 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.827 1.466 4.745 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.928 0.442 5.255 1.00 0.22 C ATOM 1668 C VAL A 109 -2.482 0.921 5.203 1.00 0.24 C ATOM 1669 O VAL A 109 -1.992 1.295 4.145 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.060 -0.858 4.437 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.999 -1.863 4.844 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.451 -1.450 4.600 1.00 0.27 C ATOM 0 H VAL A 109 -5.037 1.380 3.751 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.205 0.244 6.290 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.909 -0.616 3.385 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.113 -2.772 4.253 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.010 -1.439 4.670 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.111 -2.102 5.902 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.527 -2.367 4.016 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.630 -1.674 5.652 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.194 -0.734 4.249 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.809 0.915 6.345 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.417 1.323 6.385 1.00 0.25 C ATOM 1684 C GLY A 110 0.525 0.174 6.703 1.00 0.21 C ATOM 1685 O GLY A 110 0.498 -0.368 7.806 1.00 0.27 O ATOM 0 H GLY A 110 -2.201 0.635 7.244 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.142 1.756 5.423 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.294 2.105 7.134 1.00 0.25 H new ATOM 1689 N TYR A 111 1.345 -0.210 5.735 1.00 0.23 N ATOM 1690 CA TYR A 111 2.359 -1.238 5.952 1.00 0.24 C ATOM 1691 C TYR A 111 3.747 -0.622 5.939 1.00 0.23 C ATOM 1692 O TYR A 111 4.123 0.072 4.995 1.00 0.27 O ATOM 1693 CB TYR A 111 2.258 -2.344 4.899 1.00 0.32 C ATOM 1694 CG TYR A 111 1.198 -3.367 5.214 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.314 -4.206 6.312 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.081 -3.498 4.400 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.344 -5.149 6.593 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.890 -4.437 4.671 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.753 -5.247 5.819 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.723 -6.202 6.028 1.00 0.40 O ATOM 0 H TYR A 111 1.330 0.174 4.790 1.00 0.23 H new ATOM 0 HA TYR A 111 2.181 -1.686 6.930 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.044 -1.895 3.929 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.223 -2.844 4.813 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.176 -4.121 6.957 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.029 -2.853 3.540 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.467 -5.811 7.438 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.741 -4.551 4.016 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.734 -6.827 5.273 1.00 0.40 H new ATOM 1710 N TYR A 112 4.497 -0.867 6.996 1.00 0.25 N ATOM 1711 CA TYR A 112 5.835 -0.321 7.119 1.00 0.25 C ATOM 1712 C TYR A 112 6.844 -1.232 6.438 1.00 0.27 C ATOM 1713 O TYR A 112 7.059 -2.358 6.868 1.00 0.33 O ATOM 1714 CB TYR A 112 6.211 -0.150 8.592 1.00 0.29 C ATOM 1715 CG TYR A 112 5.357 0.845 9.353 1.00 0.37 C ATOM 1716 CD1 TYR A 112 4.029 0.570 9.661 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.890 2.054 9.772 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.258 1.477 10.364 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.126 2.965 10.473 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.812 2.674 10.766 1.00 0.64 C ATOM 1721 OH TYR A 112 3.050 3.581 11.469 1.00 0.78 O ATOM 0 H TYR A 112 4.201 -1.443 7.784 1.00 0.25 H new ATOM 0 HA TYR A 112 5.850 0.655 6.633 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.142 -1.119 9.085 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.253 0.165 8.653 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.593 -0.367 9.346 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.920 2.287 9.546 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.228 1.249 10.597 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.557 3.903 10.791 1.00 0.60 H new ATOM 0 HH TYR A 112 3.591 4.371 11.677 1.00 0.78 H new ATOM 1731 N VAL A 113 7.451 -0.743 5.377 1.00 0.27 N ATOM 1732 CA VAL A 113 8.451 -1.505 4.653 1.00 0.31 C ATOM 1733 C VAL A 113 9.851 -0.999 4.977 1.00 0.28 C ATOM 1734 O VAL A 113 10.161 0.178 4.786 1.00 0.31 O ATOM 1735 CB VAL A 113 8.221 -1.462 3.121 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.987 -0.038 2.633 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.401 -2.086 2.390 1.00 1.19 C ATOM 0 H VAL A 113 7.269 0.185 4.994 1.00 0.27 H new ATOM 0 HA VAL A 113 8.356 -2.541 4.977 1.00 0.31 H new ATOM 0 HB VAL A 113 7.324 -2.041 2.902 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.829 -0.044 1.554 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.107 0.376 3.126 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.857 0.575 2.869 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.224 -2.048 1.315 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.310 -1.533 2.628 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.515 -3.124 2.703 1.00 1.19 H new ATOM 1747 N ASN A 114 10.684 -1.884 5.492 1.00 0.29 N ATOM 1748 CA ASN A 114 12.074 -1.551 5.749 1.00 0.32 C ATOM 1749 C ASN A 114 12.908 -1.891 4.531 1.00 0.32 C ATOM 1750 O ASN A 114 12.964 -3.048 4.113 1.00 0.35 O ATOM 1751 CB ASN A 114 12.612 -2.309 6.967 1.00 0.42 C ATOM 1752 CG ASN A 114 11.874 -1.976 8.246 1.00 0.84 C ATOM 1753 OD1 ASN A 114 10.891 -2.626 8.592 1.00 1.63 O ATOM 1754 ND2 ASN A 114 12.354 -0.975 8.967 1.00 1.28 N ATOM 0 H ASN A 114 10.423 -2.838 5.741 1.00 0.29 H new ATOM 0 HA ASN A 114 12.136 -0.483 5.958 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.540 -3.381 6.781 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.670 -2.077 7.094 1.00 0.42 H new ATOM 0 HD21 ASN A 114 11.905 -0.718 9.846 1.00 1.28 H new ATOM 0 HD22 ASN A 114 13.173 -0.460 8.644 1.00 1.28 H new ATOM 1761 N ASN A 115 13.536 -0.889 3.950 1.00 0.34 N ATOM 1762 CA ASN A 115 14.358 -1.107 2.781 1.00 0.39 C ATOM 1763 C ASN A 115 15.813 -1.249 3.196 1.00 0.43 C ATOM 1764 O ASN A 115 16.454 -0.293 3.643 1.00 0.50 O ATOM 1765 CB ASN A 115 14.194 0.021 1.760 1.00 0.48 C ATOM 1766 CG ASN A 115 12.756 0.208 1.308 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.279 -0.485 0.407 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.061 1.162 1.912 1.00 0.60 N ATOM 0 H ASN A 115 13.492 0.079 4.268 1.00 0.34 H new ATOM 0 HA ASN A 115 14.031 -2.029 2.300 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.556 0.953 2.195 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.818 -0.189 0.891 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.096 1.343 1.635 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.491 1.714 2.654 1.00 0.60 H new ATOM 1775 N GLU A 116 16.312 -2.463 3.078 1.00 0.42 N ATOM 1776 CA GLU A 116 17.673 -2.790 3.471 1.00 0.50 C ATOM 1777 C GLU A 116 18.341 -3.589 2.365 1.00 0.45 C ATOM 1778 O GLU A 116 17.714 -4.460 1.776 1.00 0.54 O ATOM 1779 CB GLU A 116 17.681 -3.603 4.770 1.00 0.69 C ATOM 1780 CG GLU A 116 16.982 -2.918 5.932 1.00 1.26 C ATOM 1781 CD GLU A 116 17.146 -3.671 7.233 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.159 -3.445 7.927 1.00 1.97 O ATOM 1783 OE2 GLU A 116 16.266 -4.486 7.575 1.00 1.87 O ATOM 0 H GLU A 116 15.786 -3.254 2.706 1.00 0.42 H new ATOM 0 HA GLU A 116 18.221 -1.863 3.639 1.00 0.50 H new ATOM 0 HB2 GLU A 116 17.202 -4.565 4.587 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.714 -3.809 5.051 1.00 0.69 H new ATOM 0 HG2 GLU A 116 17.380 -1.910 6.047 1.00 1.26 H new ATOM 0 HG3 GLU A 116 15.921 -2.818 5.705 1.00 1.26 H new ATOM 1790 N TYR A 117 19.601 -3.287 2.080 1.00 0.46 N ATOM 1791 CA TYR A 117 20.338 -3.950 1.015 1.00 0.46 C ATOM 1792 C TYR A 117 20.370 -5.466 1.189 1.00 0.52 C ATOM 1793 O TYR A 117 20.193 -5.993 2.288 1.00 0.60 O ATOM 1794 CB TYR A 117 21.767 -3.416 0.961 1.00 0.48 C ATOM 1795 CG TYR A 117 21.857 -1.916 0.797 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.812 -1.331 -0.462 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.006 -1.088 1.902 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.911 0.039 -0.613 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.109 0.279 1.758 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.061 0.838 0.501 1.00 0.60 C ATOM 1801 OH TYR A 117 22.170 2.200 0.356 1.00 0.69 O ATOM 0 H TYR A 117 20.138 -2.578 2.579 1.00 0.46 H new ATOM 0 HA TYR A 117 19.819 -3.734 0.081 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.286 -3.703 1.876 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.291 -3.894 0.134 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.698 -1.956 -1.335 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.042 -1.522 2.890 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.871 0.481 -1.597 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.227 0.909 2.628 1.00 0.59 H new ATOM 0 HH TYR A 117 22.509 2.591 1.188 1.00 0.69 H new ATOM 1811 N THR A 118 20.605 -6.151 0.087 1.00 0.54 N ATOM 1812 CA THR A 118 20.694 -7.597 0.072 1.00 0.65 C ATOM 1813 C THR A 118 22.113 -8.040 0.390 1.00 0.74 C ATOM 1814 O THR A 118 22.338 -9.118 0.939 1.00 0.84 O ATOM 1815 CB THR A 118 20.281 -8.143 -1.305 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.896 -7.352 -2.335 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.769 -8.121 -1.473 1.00 0.77 C ATOM 0 H THR A 118 20.740 -5.718 -0.827 1.00 0.54 H new ATOM 0 HA THR A 118 20.017 -7.991 0.830 1.00 0.65 H new ATOM 0 HB THR A 118 20.615 -9.178 -1.382 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.635 -7.699 -3.214 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.506 -8.513 -2.456 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.308 -8.738 -0.702 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.408 -7.097 -1.382 1.00 0.77 H new ATOM 1825 N GLU A 119 23.067 -7.185 0.053 1.00 0.78 N ATOM 1826 CA GLU A 119 24.473 -7.480 0.269 1.00 0.92 C ATOM 1827 C GLU A 119 24.912 -7.032 1.651 1.00 0.95 C ATOM 1828 O GLU A 119 24.598 -5.921 2.080 1.00 0.90 O ATOM 1829 CB GLU A 119 25.335 -6.792 -0.786 1.00 1.00 C ATOM 1830 CG GLU A 119 25.009 -7.208 -2.208 1.00 1.29 C ATOM 1831 CD GLU A 119 26.019 -6.691 -3.205 1.00 1.50 C ATOM 1832 OE1 GLU A 119 27.025 -7.385 -3.449 1.00 1.67 O ATOM 1833 OE2 GLU A 119 25.812 -5.593 -3.756 1.00 2.24 O ATOM 0 H GLU A 119 22.890 -6.276 -0.374 1.00 0.78 H new ATOM 0 HA GLU A 119 24.602 -8.559 0.189 1.00 0.92 H new ATOM 0 HB2 GLU A 119 25.212 -5.713 -0.696 1.00 1.00 H new ATOM 0 HB3 GLU A 119 26.384 -7.011 -0.584 1.00 1.00 H new ATOM 0 HG2 GLU A 119 24.970 -8.296 -2.266 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.018 -6.839 -2.474 1.00 1.29 H new ATOM 1840 N THR A 120 25.650 -7.901 2.333 1.00 1.07 N ATOM 1841 CA THR A 120 26.209 -7.586 3.638 1.00 1.14 C ATOM 1842 C THR A 120 27.045 -6.312 3.560 1.00 1.12 C ATOM 1843 O THR A 120 26.924 -5.426 4.400 1.00 1.13 O ATOM 1844 CB THR A 120 27.096 -8.740 4.147 1.00 1.31 C ATOM 1845 OG1 THR A 120 26.422 -9.994 3.966 1.00 1.36 O ATOM 1846 CG2 THR A 120 27.443 -8.554 5.618 1.00 1.41 C ATOM 0 H THR A 120 25.875 -8.838 1.997 1.00 1.07 H new ATOM 0 HA THR A 120 25.381 -7.440 4.331 1.00 1.14 H new ATOM 0 HB THR A 120 28.021 -8.736 3.570 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.993 -10.722 4.290 1.00 1.36 H new ATOM 0 HG21 THR A 120 28.069 -9.382 5.952 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.982 -7.616 5.749 1.00 1.41 H new ATOM 0 HG23 THR A 120 26.527 -8.532 6.208 1.00 1.41 H new ATOM 1854 N GLU A 121 27.855 -6.219 2.510 1.00 1.13 N ATOM 1855 CA GLU A 121 28.747 -5.097 2.303 1.00 1.14 C ATOM 1856 C GLU A 121 27.987 -3.774 2.257 1.00 1.03 C ATOM 1857 O GLU A 121 28.469 -2.754 2.754 1.00 1.09 O ATOM 1858 CB GLU A 121 29.506 -5.308 0.999 1.00 1.18 C ATOM 1859 CG GLU A 121 30.974 -5.654 1.188 1.00 1.27 C ATOM 1860 CD GLU A 121 31.750 -4.546 1.864 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.111 -3.567 1.181 1.00 2.21 O ATOM 1862 OE2 GLU A 121 32.007 -4.650 3.080 1.00 2.05 O ATOM 0 H GLU A 121 27.907 -6.927 1.778 1.00 1.13 H new ATOM 0 HA GLU A 121 29.442 -5.045 3.141 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.024 -6.107 0.435 1.00 1.18 H new ATOM 0 HB3 GLU A 121 29.431 -4.403 0.396 1.00 1.18 H new ATOM 0 HG2 GLU A 121 31.055 -6.564 1.782 1.00 1.27 H new ATOM 0 HG3 GLU A 121 31.422 -5.866 0.217 1.00 1.27 H new ATOM 1869 N LEU A 122 26.795 -3.792 1.671 1.00 0.90 N ATOM 1870 CA LEU A 122 26.015 -2.576 1.531 1.00 0.82 C ATOM 1871 C LEU A 122 25.207 -2.291 2.791 1.00 0.82 C ATOM 1872 O LEU A 122 24.885 -1.141 3.079 1.00 0.83 O ATOM 1873 CB LEU A 122 25.095 -2.665 0.315 1.00 0.75 C ATOM 1874 CG LEU A 122 25.807 -2.800 -1.032 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.796 -2.885 -2.161 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.757 -1.631 -1.256 1.00 0.87 C ATOM 0 H LEU A 122 26.354 -4.629 1.290 1.00 0.90 H new ATOM 0 HA LEU A 122 26.709 -1.749 1.383 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.431 -3.519 0.444 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.467 -1.774 0.288 1.00 0.75 H new ATOM 0 HG LEU A 122 26.391 -3.720 -1.020 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.320 -2.981 -3.112 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.155 -3.754 -2.011 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.186 -1.982 -2.172 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.254 -1.745 -2.219 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.194 -0.698 -1.247 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.504 -1.612 -0.463 1.00 0.87 H new ATOM 1888 N ARG A 123 24.876 -3.339 3.541 1.00 0.86 N ATOM 1889 CA ARG A 123 24.142 -3.167 4.792 1.00 0.94 C ATOM 1890 C ARG A 123 25.063 -2.624 5.865 1.00 1.11 C ATOM 1891 O ARG A 123 24.705 -1.711 6.611 1.00 1.19 O ATOM 1892 CB ARG A 123 23.545 -4.487 5.278 1.00 0.98 C ATOM 1893 CG ARG A 123 22.542 -5.104 4.328 1.00 0.89 C ATOM 1894 CD ARG A 123 21.781 -6.234 4.998 1.00 1.00 C ATOM 1895 NE ARG A 123 20.926 -5.737 6.076 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.382 -6.502 7.020 1.00 1.56 C ATOM 1897 NH1 ARG A 123 20.595 -7.811 7.034 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.616 -5.953 7.954 1.00 2.03 N ATOM 0 H ARG A 123 25.101 -4.306 3.308 1.00 0.86 H new ATOM 0 HA ARG A 123 23.331 -2.465 4.600 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.354 -5.198 5.446 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.062 -4.321 6.241 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.842 -4.341 3.987 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.057 -5.481 3.445 1.00 0.89 H new ATOM 0 HD2 ARG A 123 21.171 -6.753 4.258 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.486 -6.963 5.398 1.00 1.00 H new ATOM 0 HE ARG A 123 20.733 -4.736 6.106 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.180 -8.240 6.317 1.00 1.82 H new ATOM 0 HH12 ARG A 123 20.174 -8.389 7.762 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.445 -4.947 7.947 1.00 2.03 H new ATOM 0 HH22 ARG A 123 19.198 -6.537 8.679 1.00 2.03 H new ATOM 1912 N GLU A 124 26.250 -3.201 5.937 1.00 1.20 N ATOM 1913 CA GLU A 124 27.237 -2.798 6.920 1.00 1.39 C ATOM 1914 C GLU A 124 27.760 -1.402 6.612 1.00 1.37 C ATOM 1915 O GLU A 124 28.044 -0.626 7.519 1.00 1.49 O ATOM 1916 CB GLU A 124 28.402 -3.789 6.951 1.00 1.53 C ATOM 1917 CG GLU A 124 27.987 -5.225 7.230 1.00 1.66 C ATOM 1918 CD GLU A 124 27.202 -5.375 8.514 1.00 2.03 C ATOM 1919 OE1 GLU A 124 27.806 -5.265 9.601 1.00 2.06 O ATOM 1920 OE2 GLU A 124 25.982 -5.619 8.447 1.00 2.84 O ATOM 0 H GLU A 124 26.554 -3.955 5.321 1.00 1.20 H new ATOM 0 HA GLU A 124 26.755 -2.788 7.897 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.922 -3.752 5.994 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.114 -3.473 7.714 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.386 -5.592 6.398 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.878 -5.851 7.280 1.00 1.66 H new ATOM 1927 N ASN A 125 27.876 -1.079 5.327 1.00 1.27 N ATOM 1928 CA ASN A 125 28.400 0.218 4.924 1.00 1.30 C ATOM 1929 C ASN A 125 27.476 0.869 3.904 1.00 1.14 C ATOM 1930 O ASN A 125 27.756 0.832 2.705 1.00 1.10 O ATOM 1931 CB ASN A 125 29.806 0.082 4.318 1.00 1.45 C ATOM 1932 CG ASN A 125 30.706 -0.859 5.099 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.393 -0.453 6.036 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.719 -2.123 4.705 1.00 1.62 N ATOM 0 H ASN A 125 27.616 -1.693 4.555 1.00 1.27 H new ATOM 0 HA ASN A 125 28.459 0.843 5.815 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.719 -0.277 3.292 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.272 1.066 4.273 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.314 -2.800 5.183 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.134 -2.420 3.924 1.00 1.62 H new ATOM 1941 N PRO A 126 26.334 1.424 4.355 1.00 1.13 N ATOM 1942 CA PRO A 126 25.419 2.160 3.480 1.00 1.06 C ATOM 1943 C PRO A 126 26.114 3.316 2.775 1.00 1.09 C ATOM 1944 O PRO A 126 26.554 4.272 3.415 1.00 1.19 O ATOM 1945 CB PRO A 126 24.349 2.696 4.434 1.00 1.15 C ATOM 1946 CG PRO A 126 24.393 1.780 5.605 1.00 1.23 C ATOM 1947 CD PRO A 126 25.829 1.353 5.738 1.00 1.24 C ATOM 0 HA PRO A 126 25.020 1.526 2.689 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.560 3.724 4.728 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.364 2.694 3.966 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.050 2.284 6.509 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.742 0.919 5.453 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.385 2.013 6.404 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.913 0.346 6.146 1.00 1.24 H new ATOM 1955 N PRO A 127 26.233 3.236 1.446 1.00 1.05 N ATOM 1956 CA PRO A 127 26.865 4.283 0.646 1.00 1.13 C ATOM 1957 C PRO A 127 26.033 5.561 0.657 1.00 1.19 C ATOM 1958 O PRO A 127 24.852 5.533 1.017 1.00 1.14 O ATOM 1959 CB PRO A 127 26.916 3.678 -0.766 1.00 1.11 C ATOM 1960 CG PRO A 127 26.664 2.220 -0.576 1.00 1.01 C ATOM 1961 CD PRO A 127 25.761 2.127 0.613 1.00 0.97 C ATOM 0 HA PRO A 127 27.847 4.566 1.024 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.163 4.127 -1.414 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.885 3.852 -1.234 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.198 1.783 -1.459 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.595 1.679 -0.406 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.712 2.242 0.338 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.854 1.167 1.121 1.00 0.97 H new ATOM 1969 N VAL A 128 26.646 6.678 0.279 1.00 1.34 N ATOM 1970 CA VAL A 128 25.943 7.957 0.238 1.00 1.44 C ATOM 1971 C VAL A 128 24.770 7.885 -0.738 1.00 1.22 C ATOM 1972 O VAL A 128 23.698 8.441 -0.488 1.00 1.28 O ATOM 1973 CB VAL A 128 26.893 9.126 -0.138 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.521 8.922 -1.510 1.00 1.92 C ATOM 1975 CG2 VAL A 128 26.163 10.460 -0.077 1.00 2.16 C ATOM 0 H VAL A 128 27.625 6.725 -0.003 1.00 1.34 H new ATOM 0 HA VAL A 128 25.561 8.157 1.239 1.00 1.44 H new ATOM 0 HB VAL A 128 27.699 9.138 0.596 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.179 9.761 -1.737 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.098 7.997 -1.512 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.736 8.862 -2.264 1.00 1.92 H new ATOM 0 HG21 VAL A 128 26.850 11.263 -0.344 1.00 2.16 H new ATOM 0 HG22 VAL A 128 25.327 10.450 -0.776 1.00 2.16 H new ATOM 0 HG23 VAL A 128 25.789 10.624 0.934 1.00 2.16 H new ATOM 1985 N LYS A 129 24.973 7.167 -1.832 1.00 1.07 N ATOM 1986 CA LYS A 129 23.925 6.943 -2.809 1.00 0.88 C ATOM 1987 C LYS A 129 23.457 5.494 -2.752 1.00 0.76 C ATOM 1988 O LYS A 129 24.178 4.585 -3.169 1.00 0.80 O ATOM 1989 CB LYS A 129 24.420 7.292 -4.213 1.00 1.00 C ATOM 1990 CG LYS A 129 24.561 8.786 -4.457 1.00 1.12 C ATOM 1991 CD LYS A 129 23.207 9.475 -4.416 1.00 1.29 C ATOM 1992 CE LYS A 129 23.321 10.973 -4.637 1.00 1.46 C ATOM 1993 NZ LYS A 129 21.990 11.636 -4.621 1.00 1.96 N ATOM 0 H LYS A 129 25.863 6.727 -2.064 1.00 1.07 H new ATOM 0 HA LYS A 129 23.081 7.591 -2.573 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.385 6.813 -4.378 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.729 6.877 -4.946 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.217 9.221 -3.703 1.00 1.12 H new ATOM 0 HG3 LYS A 129 25.031 8.957 -5.426 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.559 9.045 -5.179 1.00 1.29 H new ATOM 0 HD3 LYS A 129 22.734 9.286 -3.452 1.00 1.29 H new ATOM 0 HE2 LYS A 129 23.953 11.408 -3.863 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.811 11.163 -5.592 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 22.086 12.616 -4.957 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 21.337 11.119 -5.244 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 21.615 11.638 -3.651 1.00 1.96 H new ATOM 2007 N PRO A 130 22.259 5.266 -2.191 1.00 0.66 N ATOM 2008 CA PRO A 130 21.647 3.935 -2.101 1.00 0.57 C ATOM 2009 C PRO A 130 21.481 3.257 -3.457 1.00 0.52 C ATOM 2010 O PRO A 130 21.683 3.868 -4.510 1.00 0.64 O ATOM 2011 CB PRO A 130 20.266 4.206 -1.483 1.00 0.55 C ATOM 2012 CG PRO A 130 20.049 5.670 -1.642 1.00 0.64 C ATOM 2013 CD PRO A 130 21.411 6.287 -1.567 1.00 0.71 C ATOM 0 HA PRO A 130 22.273 3.258 -1.520 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.488 3.635 -1.990 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.241 3.916 -0.433 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.569 5.894 -2.594 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.399 6.058 -0.858 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.457 7.235 -2.103 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.709 6.488 -0.538 1.00 0.71 H new ATOM 2021 N ASP A 131 21.092 1.993 -3.424 1.00 0.45 N ATOM 2022 CA ASP A 131 20.918 1.221 -4.646 1.00 0.45 C ATOM 2023 C ASP A 131 19.619 0.444 -4.576 1.00 0.39 C ATOM 2024 O ASP A 131 19.442 -0.400 -3.701 1.00 0.39 O ATOM 2025 CB ASP A 131 22.089 0.263 -4.866 1.00 0.53 C ATOM 2026 CG ASP A 131 22.111 -0.296 -6.275 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.414 -1.296 -6.541 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.821 0.272 -7.129 1.00 1.06 O ATOM 0 H ASP A 131 20.891 1.479 -2.566 1.00 0.45 H new ATOM 0 HA ASP A 131 20.886 1.913 -5.488 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.026 0.785 -4.669 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.025 -0.558 -4.152 1.00 0.53 H new ATOM 2033 N PHE A 132 18.716 0.734 -5.496 1.00 0.38 N ATOM 2034 CA PHE A 132 17.374 0.173 -5.463 1.00 0.35 C ATOM 2035 C PHE A 132 17.361 -1.262 -5.982 1.00 0.37 C ATOM 2036 O PHE A 132 16.477 -2.048 -5.643 1.00 0.38 O ATOM 2037 CB PHE A 132 16.422 1.056 -6.272 1.00 0.38 C ATOM 2038 CG PHE A 132 16.300 2.452 -5.725 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.239 3.422 -6.039 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.239 2.798 -4.902 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.124 4.706 -5.544 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.117 4.082 -4.407 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.086 5.028 -4.698 1.00 0.46 C ATOM 0 H PHE A 132 18.889 1.360 -6.282 1.00 0.38 H new ATOM 0 HA PHE A 132 17.035 0.147 -4.427 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.771 1.106 -7.303 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.435 0.593 -6.292 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.072 3.170 -6.679 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.499 2.055 -4.645 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.848 5.458 -5.820 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.268 4.348 -3.795 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.028 6.015 -4.263 1.00 0.46 H new ATOM 2053 N SER A 133 18.351 -1.600 -6.795 1.00 0.42 N ATOM 2054 CA SER A 133 18.477 -2.947 -7.331 1.00 0.47 C ATOM 2055 C SER A 133 19.213 -3.864 -6.354 1.00 0.48 C ATOM 2056 O SER A 133 19.321 -5.071 -6.574 1.00 0.62 O ATOM 2057 CB SER A 133 19.186 -2.898 -8.687 1.00 0.54 C ATOM 2058 OG SER A 133 20.141 -1.848 -8.727 1.00 1.46 O ATOM 0 H SER A 133 19.082 -0.957 -7.099 1.00 0.42 H new ATOM 0 HA SER A 133 17.480 -3.363 -7.472 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.680 -3.851 -8.877 1.00 0.54 H new ATOM 0 HB3 SER A 133 18.452 -2.756 -9.480 1.00 0.54 H new ATOM 0 HG SER A 133 20.669 -1.854 -7.901 1.00 1.46 H new ATOM 2064 N LYS A 134 19.700 -3.288 -5.264 1.00 0.40 N ATOM 2065 CA LYS A 134 20.362 -4.053 -4.219 1.00 0.43 C ATOM 2066 C LYS A 134 19.608 -3.880 -2.928 1.00 0.39 C ATOM 2067 O LYS A 134 20.064 -4.270 -1.860 1.00 0.46 O ATOM 2068 CB LYS A 134 21.805 -3.592 -4.031 1.00 0.48 C ATOM 2069 CG LYS A 134 22.742 -4.078 -5.126 1.00 0.65 C ATOM 2070 CD LYS A 134 22.777 -5.597 -5.195 1.00 0.78 C ATOM 2071 CE LYS A 134 23.634 -6.084 -6.348 1.00 1.00 C ATOM 2072 NZ LYS A 134 25.018 -5.548 -6.278 1.00 1.87 N ATOM 0 H LYS A 134 19.648 -2.286 -5.081 1.00 0.40 H new ATOM 0 HA LYS A 134 20.374 -5.103 -4.511 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.829 -2.503 -3.999 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.169 -3.947 -3.067 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.420 -3.676 -6.087 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.747 -3.698 -4.942 1.00 0.65 H new ATOM 0 HD2 LYS A 134 23.166 -5.995 -4.258 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.763 -5.980 -5.308 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.666 -7.173 -6.341 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.177 -5.785 -7.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.684 -6.257 -6.646 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 25.084 -4.682 -6.849 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.256 -5.330 -5.289 1.00 1.87 H new ATOM 2086 N LEU A 135 18.447 -3.284 -3.049 1.00 0.41 N ATOM 2087 CA LEU A 135 17.628 -2.968 -1.912 1.00 0.40 C ATOM 2088 C LEU A 135 16.534 -4.011 -1.776 1.00 0.41 C ATOM 2089 O LEU A 135 15.877 -4.353 -2.753 1.00 0.46 O ATOM 2090 CB LEU A 135 17.032 -1.578 -2.106 1.00 0.41 C ATOM 2091 CG LEU A 135 16.565 -0.880 -0.844 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.727 -0.689 0.121 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.933 0.455 -1.202 1.00 0.74 C ATOM 0 H LEU A 135 18.045 -3.005 -3.944 1.00 0.41 H new ATOM 0 HA LEU A 135 18.224 -2.973 -0.999 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.777 -0.948 -2.593 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.186 -1.658 -2.789 1.00 0.41 H new ATOM 0 HG LEU A 135 15.817 -1.500 -0.349 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.373 -0.186 1.021 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.142 -1.661 0.387 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.498 -0.083 -0.354 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.598 0.955 -0.293 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.667 1.080 -1.710 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.080 0.289 -1.860 1.00 0.74 H new ATOM 2105 N GLN A 136 16.367 -4.538 -0.581 1.00 0.40 N ATOM 2106 CA GLN A 136 15.353 -5.543 -0.321 1.00 0.41 C ATOM 2107 C GLN A 136 14.228 -4.932 0.495 1.00 0.38 C ATOM 2108 O GLN A 136 14.474 -4.313 1.532 1.00 0.44 O ATOM 2109 CB GLN A 136 15.953 -6.724 0.442 1.00 0.46 C ATOM 2110 CG GLN A 136 15.112 -7.982 0.360 1.00 0.58 C ATOM 2111 CD GLN A 136 15.393 -8.962 1.481 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.264 -10.174 1.307 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.765 -8.450 2.645 1.00 0.72 N ATOM 0 H GLN A 136 16.926 -4.285 0.234 1.00 0.40 H new ATOM 0 HA GLN A 136 14.964 -5.901 -1.274 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.947 -6.934 0.048 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.077 -6.446 1.489 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.057 -7.708 0.381 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.295 -8.472 -0.596 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.861 -7.440 2.751 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.955 -9.066 3.436 1.00 0.72 H new ATOM 2122 N ARG A 137 13.000 -5.093 0.034 1.00 0.36 N ATOM 2123 CA ARG A 137 11.863 -4.567 0.762 1.00 0.35 C ATOM 2124 C ARG A 137 11.399 -5.574 1.795 1.00 0.35 C ATOM 2125 O ARG A 137 10.832 -6.617 1.445 1.00 0.39 O ATOM 2126 CB ARG A 137 10.711 -4.221 -0.178 1.00 0.43 C ATOM 2127 CG ARG A 137 11.068 -3.182 -1.223 1.00 1.02 C ATOM 2128 CD ARG A 137 9.826 -2.572 -1.850 1.00 1.29 C ATOM 2129 NE ARG A 137 8.864 -3.590 -2.279 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.227 -3.565 -3.449 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.504 -2.628 -4.347 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.324 -4.493 -3.734 1.00 2.05 N ATOM 0 H ARG A 137 12.768 -5.579 -0.832 1.00 0.36 H new ATOM 0 HA ARG A 137 12.179 -3.651 1.261 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.378 -5.129 -0.680 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.870 -3.856 0.411 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.669 -2.396 -0.765 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.681 -3.641 -1.999 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.350 -1.904 -1.132 1.00 1.29 H new ATOM 0 HD3 ARG A 137 10.115 -1.964 -2.707 1.00 1.29 H new ATOM 0 HE ARG A 137 8.670 -4.364 -1.644 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.209 -1.920 -4.144 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.012 -2.616 -5.240 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.116 -5.227 -3.057 1.00 2.05 H new ATOM 0 HH22 ARG A 137 6.837 -4.473 -4.630 1.00 2.05 H new ATOM 2146 N ASN A 138 11.674 -5.277 3.056 1.00 0.35 N ATOM 2147 CA ASN A 138 11.185 -6.089 4.156 1.00 0.39 C ATOM 2148 C ASN A 138 9.940 -5.440 4.735 1.00 0.39 C ATOM 2149 O ASN A 138 10.010 -4.638 5.666 1.00 0.49 O ATOM 2150 CB ASN A 138 12.256 -6.256 5.241 1.00 0.45 C ATOM 2151 CG ASN A 138 11.839 -7.230 6.331 1.00 0.52 C ATOM 2152 OD1 ASN A 138 12.116 -8.428 6.248 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.168 -6.724 7.354 1.00 0.67 N ATOM 0 H ASN A 138 12.236 -4.475 3.342 1.00 0.35 H new ATOM 0 HA ASN A 138 10.941 -7.083 3.781 1.00 0.39 H new ATOM 0 HB2 ASN A 138 13.181 -6.605 4.782 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.469 -5.285 5.689 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.860 -7.332 8.113 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.959 -5.726 7.384 1.00 0.67 H new ATOM 2160 N ILE A 139 8.812 -5.753 4.129 1.00 0.37 N ATOM 2161 CA ILE A 139 7.530 -5.221 4.544 1.00 0.36 C ATOM 2162 C ILE A 139 7.069 -5.894 5.835 1.00 0.37 C ATOM 2163 O ILE A 139 6.985 -7.120 5.916 1.00 0.46 O ATOM 2164 CB ILE A 139 6.498 -5.444 3.426 1.00 0.39 C ATOM 2165 CG1 ILE A 139 7.004 -4.815 2.125 1.00 0.42 C ATOM 2166 CG2 ILE A 139 5.134 -4.890 3.810 1.00 0.43 C ATOM 2167 CD1 ILE A 139 6.185 -5.179 0.903 1.00 0.48 C ATOM 0 H ILE A 139 8.759 -6.386 3.331 1.00 0.37 H new ATOM 0 HA ILE A 139 7.629 -4.152 4.733 1.00 0.36 H new ATOM 0 HB ILE A 139 6.375 -6.516 3.275 1.00 0.39 H new ATOM 0 HG12 ILE A 139 7.009 -3.731 2.236 1.00 0.42 H new ATOM 0 HG13 ILE A 139 8.037 -5.124 1.962 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.429 -5.064 2.998 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.779 -5.389 4.712 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.215 -3.819 3.996 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.608 -4.694 0.024 1.00 0.48 H new ATOM 0 HD12 ILE A 139 6.200 -6.260 0.764 1.00 0.48 H new ATOM 0 HD13 ILE A 139 5.157 -4.845 1.042 1.00 0.48 H new ATOM 2179 N LEU A 140 6.803 -5.088 6.849 1.00 0.35 N ATOM 2180 CA LEU A 140 6.363 -5.594 8.137 1.00 0.39 C ATOM 2181 C LEU A 140 4.865 -5.858 8.119 1.00 0.36 C ATOM 2182 O LEU A 140 4.063 -4.965 8.393 1.00 0.37 O ATOM 2183 CB LEU A 140 6.703 -4.595 9.247 1.00 0.47 C ATOM 2184 CG LEU A 140 8.189 -4.271 9.404 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.381 -3.132 10.394 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.962 -5.504 9.850 1.00 0.99 C ATOM 0 H LEU A 140 6.885 -4.072 6.803 1.00 0.35 H new ATOM 0 HA LEU A 140 6.884 -6.531 8.334 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.164 -3.667 9.055 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.332 -4.989 10.193 1.00 0.47 H new ATOM 0 HG LEU A 140 8.578 -3.956 8.436 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.444 -2.913 10.495 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.860 -2.245 10.033 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.976 -3.421 11.364 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.017 -5.253 9.956 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.573 -5.850 10.808 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.850 -6.293 9.106 1.00 0.99 H new ATOM 2198 N ALA A 141 4.491 -7.082 7.783 1.00 0.39 N ATOM 2199 CA ALA A 141 3.090 -7.467 7.759 1.00 0.42 C ATOM 2200 C ALA A 141 2.602 -7.761 9.172 1.00 0.49 C ATOM 2201 O ALA A 141 1.404 -7.900 9.417 1.00 0.55 O ATOM 2202 CB ALA A 141 2.878 -8.667 6.850 1.00 0.48 C ATOM 0 H ALA A 141 5.139 -7.826 7.523 1.00 0.39 H new ATOM 0 HA ALA A 141 2.507 -6.638 7.359 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.822 -8.939 6.846 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.191 -8.416 5.837 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.468 -9.508 7.214 1.00 0.48 H new ATOM 2208 N SER A 142 3.547 -7.857 10.100 1.00 0.52 N ATOM 2209 CA SER A 142 3.226 -8.039 11.507 1.00 0.62 C ATOM 2210 C SER A 142 2.930 -6.691 12.161 1.00 0.61 C ATOM 2211 O SER A 142 2.650 -6.607 13.359 1.00 0.70 O ATOM 2212 CB SER A 142 4.386 -8.736 12.222 1.00 0.72 C ATOM 2213 OG SER A 142 4.804 -9.882 11.498 1.00 1.42 O ATOM 0 H SER A 142 4.546 -7.811 9.900 1.00 0.52 H new ATOM 0 HA SER A 142 2.337 -8.665 11.588 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.221 -8.044 12.331 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.079 -9.026 13.227 1.00 0.72 H new ATOM 0 HG SER A 142 5.547 -10.313 11.969 1.00 1.42 H new ATOM 2219 N ASN A 143 2.988 -5.632 11.362 1.00 0.56 N ATOM 2220 CA ASN A 143 2.675 -4.297 11.843 1.00 0.60 C ATOM 2221 C ASN A 143 1.774 -3.573 10.843 1.00 0.49 C ATOM 2222 O ASN A 143 2.212 -2.662 10.139 1.00 0.49 O ATOM 2223 CB ASN A 143 3.961 -3.497 12.090 1.00 0.74 C ATOM 2224 CG ASN A 143 3.703 -2.151 12.747 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.729 -1.981 13.476 1.00 1.87 O ATOM 2226 ND2 ASN A 143 4.583 -1.191 12.504 1.00 1.91 N ATOM 0 H ASN A 143 3.250 -5.675 10.377 1.00 0.56 H new ATOM 0 HA ASN A 143 2.142 -4.385 12.790 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.631 -4.081 12.721 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.473 -3.340 11.141 1.00 0.74 H new ATOM 0 HD21 ASN A 143 4.464 -0.271 12.928 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.379 -1.372 11.893 1.00 1.91 H new ATOM 2233 N PRO A 144 0.505 -4.006 10.737 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.473 -3.389 9.858 1.00 0.43 C ATOM 2235 C PRO A 144 -1.189 -2.232 10.537 1.00 0.39 C ATOM 2236 O PRO A 144 -1.991 -2.434 11.456 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.466 -4.523 9.559 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.088 -5.665 10.457 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.086 -5.140 11.449 1.00 0.60 C ATOM 0 HA PRO A 144 -0.010 -2.970 8.964 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.490 -4.202 9.749 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.414 -4.819 8.511 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.966 -6.058 10.969 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.663 -6.485 9.878 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.561 -4.831 12.380 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.661 -5.891 11.706 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.894 -1.024 10.096 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.517 0.159 10.659 1.00 0.33 C ATOM 2249 C ARG A 145 -2.869 0.389 10.001 1.00 0.30 C ATOM 2250 O ARG A 145 -2.992 1.171 9.059 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.618 1.378 10.481 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.429 2.192 11.754 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.734 2.779 12.266 1.00 1.21 C ATOM 2254 NE ARG A 145 -1.561 3.409 13.574 1.00 1.63 N ATOM 2255 CZ ARG A 145 -2.442 4.229 14.145 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -3.554 4.580 13.513 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -2.193 4.712 15.354 1.00 3.15 N ATOM 0 H ARG A 145 -0.226 -0.836 9.349 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.665 0.005 11.728 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.358 1.049 10.123 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -1.041 2.021 9.709 1.00 0.41 H new ATOM 0 HG2 ARG A 145 0.009 1.558 12.525 1.00 0.98 H new ATOM 0 HG3 ARG A 145 0.279 2.999 11.564 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -2.108 3.514 11.553 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -2.485 1.992 12.336 1.00 1.21 H new ATOM 0 HE ARG A 145 -0.703 3.206 14.087 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -3.744 4.221 12.577 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -4.219 5.209 13.963 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -1.333 4.455 15.839 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -2.861 5.341 15.800 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.872 -0.327 10.481 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.209 -0.229 9.929 1.00 0.39 C ATOM 2273 C VAL A 146 -5.930 0.982 10.504 1.00 0.40 C ATOM 2274 O VAL A 146 -6.347 0.981 11.661 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.041 -1.498 10.211 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.414 -1.401 9.560 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.307 -2.740 9.732 1.00 1.11 C ATOM 0 H VAL A 146 -3.783 -0.985 11.255 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.105 -0.121 8.849 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.181 -1.578 11.289 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.982 -2.307 9.772 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.946 -0.537 9.959 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.298 -1.290 8.482 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.911 -3.623 9.941 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.130 -2.667 8.659 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.353 -2.822 10.252 1.00 1.11 H new ATOM 2287 N THR A 147 -6.048 2.022 9.701 1.00 0.40 N ATOM 2288 CA THR A 147 -6.745 3.221 10.120 1.00 0.42 C ATOM 2289 C THR A 147 -7.866 3.536 9.156 1.00 0.35 C ATOM 2290 O THR A 147 -7.635 3.943 8.018 1.00 0.33 O ATOM 2291 CB THR A 147 -5.777 4.412 10.219 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.603 4.006 10.938 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.426 5.594 10.928 1.00 0.52 C ATOM 0 H THR A 147 -5.670 2.060 8.754 1.00 0.40 H new ATOM 0 HA THR A 147 -7.168 3.043 11.109 1.00 0.42 H new ATOM 0 HB THR A 147 -5.511 4.727 9.210 1.00 0.47 H new ATOM 0 HG1 THR A 147 -3.867 4.621 10.737 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.717 6.420 10.982 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.310 5.910 10.374 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.717 5.299 11.936 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.082 3.320 9.615 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.243 3.567 8.799 1.00 0.34 C ATOM 2303 C ARG A 148 -10.928 4.857 9.217 1.00 0.37 C ATOM 2304 O ARG A 148 -10.664 5.413 10.287 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.211 2.372 8.838 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.602 1.902 10.232 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.539 2.876 10.919 1.00 0.88 C ATOM 2308 NE ARG A 148 -12.703 2.576 12.337 1.00 1.48 N ATOM 2309 CZ ARG A 148 -12.373 3.414 13.319 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -11.844 4.603 13.038 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -12.561 3.059 14.582 1.00 3.00 N ATOM 0 H ARG A 148 -9.287 2.973 10.552 1.00 0.38 H new ATOM 0 HA ARG A 148 -9.916 3.685 7.766 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.117 2.641 8.295 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.755 1.538 8.305 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -12.081 0.925 10.164 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -10.704 1.775 10.837 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -12.154 3.889 10.806 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -13.512 2.849 10.429 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.094 1.669 12.592 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -11.690 4.876 12.067 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -11.593 5.241 13.793 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -12.958 2.145 14.801 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -12.309 3.699 15.335 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.818 5.299 8.367 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.518 6.559 8.537 1.00 0.36 C ATOM 2327 C PHE A 149 -14.021 6.313 8.519 1.00 0.38 C ATOM 2328 O PHE A 149 -14.481 5.315 7.967 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.145 7.527 7.406 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.667 7.631 7.146 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.882 8.479 7.911 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.064 6.885 6.147 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.526 8.584 7.686 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.704 6.986 5.916 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.940 7.806 6.646 1.00 0.40 C ATOM 0 H PHE A 149 -12.085 4.792 7.523 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.230 6.999 9.492 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.642 7.207 6.490 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.530 8.517 7.649 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.339 9.066 8.694 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.661 6.218 5.543 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.919 9.244 8.287 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.252 6.394 5.134 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.881 7.878 6.448 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.782 7.210 9.126 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.236 7.095 9.133 1.00 0.51 C ATOM 2347 C HIS A 150 -16.838 8.080 8.145 1.00 0.52 C ATOM 2348 O HIS A 150 -16.722 9.293 8.322 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.793 7.342 10.537 1.00 0.64 C ATOM 2350 CG HIS A 150 -16.367 6.317 11.540 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -15.651 6.625 12.673 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -16.568 4.980 11.579 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -15.433 5.528 13.366 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -15.977 4.510 12.728 1.00 2.73 N ATOM 0 H HIS A 150 -14.420 8.025 9.620 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.506 6.082 8.834 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.473 8.327 10.878 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.882 7.360 10.489 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -17.095 4.391 10.844 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -14.897 5.471 14.302 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -15.962 3.538 13.035 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.478 7.564 7.107 1.00 0.48 N ATOM 2364 CA ILE A 151 -18.011 8.406 6.047 1.00 0.50 C ATOM 2365 C ILE A 151 -19.425 7.995 5.682 1.00 0.49 C ATOM 2366 O ILE A 151 -19.978 7.040 6.234 1.00 0.55 O ATOM 2367 CB ILE A 151 -17.163 8.332 4.758 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.182 6.911 4.182 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.738 8.783 5.028 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.638 6.819 2.773 1.00 0.64 C ATOM 0 H ILE A 151 -17.641 6.566 6.976 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.992 9.423 6.439 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.599 9.006 4.021 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.599 6.258 4.831 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.206 6.538 4.192 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -15.157 8.723 4.108 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.744 9.812 5.387 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.289 8.138 5.783 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.683 5.785 2.432 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.235 7.445 2.111 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.603 7.161 2.760 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.998 8.729 4.749 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.258 8.354 4.151 1.00 0.51 C ATOM 2384 C ASN A 152 -21.003 7.843 2.741 1.00 0.49 C ATOM 2385 O ASN A 152 -20.382 8.521 1.922 1.00 0.52 O ATOM 2386 CB ASN A 152 -22.240 9.533 4.147 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.768 10.708 3.303 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -21.039 11.573 3.785 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -22.193 10.758 2.050 1.00 1.33 N ATOM 0 H ASN A 152 -19.604 9.597 4.387 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.716 7.561 4.742 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -23.205 9.191 3.774 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.396 9.870 5.172 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.916 11.534 1.448 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.797 10.021 1.687 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.431 6.624 2.490 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.267 6.000 1.187 1.00 0.59 C ATOM 2398 C TRP A 153 -22.367 6.483 0.255 1.00 0.72 C ATOM 2399 O TRP A 153 -22.162 6.653 -0.948 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.314 4.475 1.326 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.300 3.923 2.290 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.145 4.263 3.602 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.318 2.915 2.022 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.125 3.544 4.164 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.602 2.706 3.217 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.973 2.172 0.891 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.564 1.785 3.309 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.944 1.258 0.984 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.250 1.070 2.186 1.00 0.53 C ATOM 0 H TRP A 153 -21.901 6.036 3.178 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.299 6.278 0.770 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.311 4.180 1.653 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.153 4.025 0.346 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.743 4.996 4.124 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.807 3.620 5.130 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.502 2.311 -0.040 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -17.025 1.640 4.234 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.669 0.678 0.116 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.450 0.345 2.227 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.534 6.699 0.833 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.649 7.286 0.126 1.00 0.99 C ATOM 2422 C GLU A 154 -24.917 8.648 0.733 1.00 0.96 C ATOM 2423 O GLU A 154 -25.087 8.761 1.953 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.903 6.411 0.249 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.653 4.933 -0.006 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.485 4.132 1.275 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -24.538 4.416 2.041 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -26.301 3.224 1.533 1.00 2.07 O ATOM 0 H GLU A 154 -23.732 6.471 1.807 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.406 7.371 -0.933 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.321 6.531 1.249 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.654 6.769 -0.455 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -26.485 4.523 -0.579 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.758 4.821 -0.618 1.00 1.48 H new ATOM 2435 N ASP A 155 -24.926 9.688 -0.085 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.158 11.030 0.431 1.00 1.07 C ATOM 2437 C ASP A 155 -26.637 11.246 0.721 1.00 1.02 C ATOM 2438 O ASP A 155 -27.338 11.990 0.040 1.00 1.15 O ATOM 2439 CB ASP A 155 -24.603 12.106 -0.513 1.00 1.41 C ATOM 2440 CG ASP A 155 -24.948 11.877 -1.973 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -26.024 12.342 -2.406 1.00 1.86 O ATOM 2442 OD2 ASP A 155 -24.167 11.222 -2.693 1.00 2.49 O ATOM 0 H ASP A 155 -24.778 9.633 -1.093 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.614 11.125 1.371 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.988 13.079 -0.207 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -23.519 12.145 -0.407 1.00 1.41 H new ATOM 2447 N ASN A 156 -27.101 10.558 1.748 1.00 1.06 N ATOM 2448 CA ASN A 156 -28.464 10.684 2.227 1.00 1.31 C ATOM 2449 C ASN A 156 -28.439 11.163 3.666 1.00 1.59 C ATOM 2450 O ASN A 156 -28.136 10.341 4.557 1.00 2.09 O ATOM 2451 CB ASN A 156 -29.214 9.347 2.137 1.00 1.55 C ATOM 2452 CG ASN A 156 -29.691 9.003 0.732 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -30.714 8.343 0.563 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -28.961 9.437 -0.281 1.00 2.27 N ATOM 2455 OXT ASN A 156 -28.695 12.359 3.897 1.00 2.05 O ATOM 0 H ASN A 156 -26.538 9.891 2.277 1.00 1.06 H new ATOM 0 HA ASN A 156 -28.989 11.404 1.599 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -28.562 8.550 2.494 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -30.075 9.378 2.805 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -29.241 9.226 -1.239 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -28.117 9.983 -0.105 1.00 2.27 H new TER 2462 ASN A 156