USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 854 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 115 LYS NZ :NH3+ 142:sc= 0.278 (180deg=0) USER MOD Set 1.2: A 117 ASN : amide:sc= -2.7! C(o=-2.4!,f=-12!) USER MOD Set 2.1: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 SER OG : rot -4:sc=0.000964 USER MOD Set 3.1: A 1 MET CE :methyl -151:sc= -4.6! (180deg=-6.1!) USER MOD Set 3.2: A 21 MET CE :methyl -163:sc= -11.2! (180deg=-5.68!) USER MOD Set 3.3: A 42 HIS : no HD1:sc= -13.5! C(o=-29!,f=-31!) USER MOD Set 3.4: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 2 ASN : amide:sc= -0.09 K(o=-1.3,f=-4.3!) USER MOD Set 4.2: A 4 THR OG1 : rot 97:sc= -1.19! USER MOD Single : A 1 MET N :NH3+ -152:sc= -1.8! (180deg=-3.09!) USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= -0.807 (180deg=-2.2!) USER MOD Single : A 8 ASN : amide:sc= 1.14 K(o=1.1,f=-0.26) USER MOD Single : A 9 THR OG1 : rot 81:sc= 0.746 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 78:sc= 0.163 USER MOD Single : A 20 ASN : amide:sc= -4.5! C(o=-4.5!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 147:sc= -7.53! (180deg=-12.9!) USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0272) USER MOD Single : A 32 GLN : amide:sc= -2.25! C(o=-2.3!,f=-8.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.1!) USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= 0.117 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 84 SER OG : rot 180:sc= 0.148 USER MOD Single : A 85 GLN : amide:sc= -3.32! C(o=-3.3!,f=-2.9!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot -149:sc= -1.5! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 98 SER OG : rot 21:sc= -2.36! USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= -1.61! (180deg=-1.8!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.107 F(o=-0.7,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.830 5.827 -1.789 1.00 0.00 N ATOM 2 CA MET A 1 -5.618 6.409 -2.435 1.00 0.00 C ATOM 3 C MET A 1 -4.383 6.151 -1.559 1.00 0.00 C ATOM 4 O MET A 1 -3.616 5.243 -1.808 1.00 0.00 O ATOM 5 CB MET A 1 -5.927 7.905 -2.556 1.00 0.00 C ATOM 6 CG MET A 1 -7.333 8.081 -3.134 1.00 0.00 C ATOM 7 SD MET A 1 -7.444 7.222 -4.724 1.00 0.00 S ATOM 8 CE MET A 1 -8.974 6.313 -4.391 1.00 0.00 C ATOM 0 H1 MET A 1 -7.524 5.571 -2.520 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.563 4.977 -1.252 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.249 6.526 -1.143 1.00 0.00 H new ATOM 0 HA MET A 1 -5.397 5.969 -3.408 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.860 8.383 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.193 8.390 -3.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.075 7.684 -2.441 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.554 9.140 -3.265 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.973 5.380 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.042 6.093 -3.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.829 6.918 -4.691 1.00 0.00 H new ATOM 20 N ASN A 2 -4.194 6.927 -0.526 1.00 0.00 N ATOM 21 CA ASN A 2 -3.019 6.705 0.378 1.00 0.00 C ATOM 22 C ASN A 2 -3.339 5.516 1.338 1.00 0.00 C ATOM 23 O ASN A 2 -4.193 5.628 2.202 1.00 0.00 O ATOM 24 CB ASN A 2 -2.906 8.017 1.163 1.00 0.00 C ATOM 25 CG ASN A 2 -1.733 7.912 2.149 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.924 7.011 2.044 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.597 8.793 3.111 1.00 0.00 N ATOM 0 H ASN A 2 -4.800 7.705 -0.266 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.097 6.461 -0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.750 8.852 0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.833 8.215 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.817 8.719 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.271 9.552 3.206 1.00 0.00 H new ATOM 34 N LEU A 3 -2.691 4.371 1.182 1.00 0.00 N ATOM 35 CA LEU A 3 -3.013 3.201 2.087 1.00 0.00 C ATOM 36 C LEU A 3 -3.133 3.664 3.537 1.00 0.00 C ATOM 37 O LEU A 3 -3.987 3.215 4.255 1.00 0.00 O ATOM 38 CB LEU A 3 -1.842 2.186 1.969 1.00 0.00 C ATOM 39 CG LEU A 3 -2.334 0.766 1.577 1.00 0.00 C ATOM 40 CD1 LEU A 3 -3.748 0.490 2.107 1.00 0.00 C ATOM 41 CD2 LEU A 3 -2.328 0.598 0.050 1.00 0.00 C ATOM 0 H LEU A 3 -1.969 4.198 0.483 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.960 2.749 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.130 2.541 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.310 2.135 2.919 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.647 0.051 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.058 -0.513 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.750 0.566 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.442 1.221 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.675 -0.403 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.989 1.339 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.315 0.739 -0.328 1.00 0.00 H new ATOM 53 N THR A 4 -2.277 4.536 3.987 1.00 0.00 N ATOM 54 CA THR A 4 -2.382 4.973 5.417 1.00 0.00 C ATOM 55 C THR A 4 -3.782 5.575 5.636 1.00 0.00 C ATOM 56 O THR A 4 -4.407 5.373 6.663 1.00 0.00 O ATOM 57 CB THR A 4 -1.255 6.016 5.637 1.00 0.00 C ATOM 58 OG1 THR A 4 -0.108 5.643 4.890 1.00 0.00 O ATOM 59 CG2 THR A 4 -0.895 6.087 7.117 1.00 0.00 C ATOM 0 H THR A 4 -1.523 4.960 3.446 1.00 0.00 H new ATOM 0 HA THR A 4 -2.262 4.155 6.127 1.00 0.00 H new ATOM 0 HB THR A 4 -1.605 6.993 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.100 6.128 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.103 6.821 7.264 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.773 6.381 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.551 5.110 7.455 1.00 0.00 H new ATOM 67 N GLU A 5 -4.299 6.277 4.655 1.00 0.00 N ATOM 68 CA GLU A 5 -5.669 6.849 4.790 1.00 0.00 C ATOM 69 C GLU A 5 -6.683 5.702 4.739 1.00 0.00 C ATOM 70 O GLU A 5 -7.579 5.624 5.557 1.00 0.00 O ATOM 71 CB GLU A 5 -5.828 7.825 3.605 1.00 0.00 C ATOM 72 CG GLU A 5 -6.700 7.215 2.495 1.00 0.00 C ATOM 73 CD GLU A 5 -6.915 8.248 1.384 1.00 0.00 C ATOM 74 OE1 GLU A 5 -6.997 9.422 1.702 1.00 0.00 O ATOM 75 OE2 GLU A 5 -6.997 7.844 0.236 1.00 0.00 O ATOM 0 H GLU A 5 -3.830 6.476 3.771 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.831 7.376 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.277 8.755 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.846 8.076 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.220 6.325 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.660 6.901 2.904 1.00 0.00 H new ATOM 82 N LEU A 6 -6.537 4.788 3.805 1.00 0.00 N ATOM 83 CA LEU A 6 -7.468 3.651 3.743 1.00 0.00 C ATOM 84 C LEU A 6 -7.553 2.984 5.118 1.00 0.00 C ATOM 85 O LEU A 6 -8.626 2.754 5.641 1.00 0.00 O ATOM 86 CB LEU A 6 -6.783 2.772 2.726 1.00 0.00 C ATOM 87 CG LEU A 6 -6.876 3.455 1.367 1.00 0.00 C ATOM 88 CD1 LEU A 6 -6.133 2.626 0.324 1.00 0.00 C ATOM 89 CD2 LEU A 6 -8.348 3.586 0.978 1.00 0.00 C ATOM 0 H LEU A 6 -5.809 4.794 3.091 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.496 3.896 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.740 2.614 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.256 1.791 2.691 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.422 4.445 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.201 3.117 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.086 2.534 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.581 1.634 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.426 4.074 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.800 2.595 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.870 4.182 1.726 1.00 0.00 H new ATOM 101 N LYS A 7 -6.429 2.688 5.716 1.00 0.00 N ATOM 102 CA LYS A 7 -6.451 2.054 7.067 1.00 0.00 C ATOM 103 C LYS A 7 -7.078 3.009 8.086 1.00 0.00 C ATOM 104 O LYS A 7 -7.799 2.599 8.973 1.00 0.00 O ATOM 105 CB LYS A 7 -4.976 1.795 7.414 1.00 0.00 C ATOM 106 CG LYS A 7 -4.554 0.432 6.868 1.00 0.00 C ATOM 107 CD LYS A 7 -3.548 -0.207 7.826 1.00 0.00 C ATOM 108 CE LYS A 7 -4.290 -0.794 9.030 1.00 0.00 C ATOM 109 NZ LYS A 7 -4.056 0.173 10.141 1.00 0.00 N ATOM 0 H LYS A 7 -5.500 2.857 5.329 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.040 1.137 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.349 2.579 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.835 1.825 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.426 -0.213 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.110 0.545 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.988 -0.990 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.824 0.537 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.354 -0.905 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.910 -1.784 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.824 -0.347 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.266 0.802 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.915 0.740 10.295 1.00 0.00 H new ATOM 123 N ASN A 8 -6.795 4.276 7.976 1.00 0.00 N ATOM 124 CA ASN A 8 -7.372 5.254 8.969 1.00 0.00 C ATOM 125 C ASN A 8 -8.898 5.284 8.899 1.00 0.00 C ATOM 126 O ASN A 8 -9.571 5.723 9.810 1.00 0.00 O ATOM 127 CB ASN A 8 -6.823 6.635 8.573 1.00 0.00 C ATOM 128 CG ASN A 8 -5.584 6.950 9.409 1.00 0.00 C ATOM 129 OD1 ASN A 8 -5.653 7.709 10.355 1.00 0.00 O ATOM 130 ND2 ASN A 8 -4.446 6.395 9.099 1.00 0.00 N ATOM 0 H ASN A 8 -6.199 4.683 7.256 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.098 4.970 9.985 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.572 6.648 7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.584 7.399 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.613 6.598 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.389 5.758 8.305 1.00 0.00 H new ATOM 137 N THR A 9 -9.431 4.828 7.824 1.00 0.00 N ATOM 138 CA THR A 9 -10.924 4.823 7.656 1.00 0.00 C ATOM 139 C THR A 9 -11.528 3.577 8.342 1.00 0.00 C ATOM 140 O THR A 9 -11.216 2.472 7.944 1.00 0.00 O ATOM 141 CB THR A 9 -11.168 4.753 6.137 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.235 5.589 5.466 1.00 0.00 O ATOM 143 CG2 THR A 9 -12.592 5.215 5.816 1.00 0.00 C ATOM 0 H THR A 9 -8.908 4.450 7.034 1.00 0.00 H new ATOM 0 HA THR A 9 -11.385 5.704 8.103 1.00 0.00 H new ATOM 0 HB THR A 9 -11.041 3.724 5.802 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.378 5.121 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.758 5.163 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.307 4.569 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.726 6.242 6.154 1.00 0.00 H new ATOM 151 N PRO A 10 -12.373 3.759 9.346 1.00 0.00 N ATOM 152 CA PRO A 10 -12.978 2.576 10.032 1.00 0.00 C ATOM 153 C PRO A 10 -13.794 1.703 9.023 1.00 0.00 C ATOM 154 O PRO A 10 -14.236 2.195 8.004 1.00 0.00 O ATOM 155 CB PRO A 10 -13.894 3.225 11.103 1.00 0.00 C ATOM 156 CG PRO A 10 -14.156 4.567 10.545 1.00 0.00 C ATOM 157 CD PRO A 10 -12.859 5.010 9.958 1.00 0.00 C ATOM 0 HA PRO A 10 -12.241 1.898 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.815 2.659 11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.403 3.280 12.075 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.939 4.532 9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.493 5.256 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.991 5.803 9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.174 5.390 10.716 1.00 0.00 H new ATOM 165 N VAL A 11 -13.978 0.406 9.287 1.00 0.00 N ATOM 166 CA VAL A 11 -14.752 -0.454 8.291 1.00 0.00 C ATOM 167 C VAL A 11 -15.994 0.308 7.784 1.00 0.00 C ATOM 168 O VAL A 11 -16.206 0.418 6.603 1.00 0.00 O ATOM 169 CB VAL A 11 -15.185 -1.794 9.001 1.00 0.00 C ATOM 170 CG1 VAL A 11 -16.480 -1.626 9.799 1.00 0.00 C ATOM 171 CG2 VAL A 11 -15.436 -2.879 7.948 1.00 0.00 C ATOM 0 H VAL A 11 -13.639 -0.079 10.118 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.118 -0.684 7.434 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.377 -2.070 9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.742 -2.573 10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -16.339 -0.865 10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -17.283 -1.321 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.735 -3.803 8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.229 -2.555 7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.523 -3.051 7.378 1.00 0.00 H new ATOM 181 N SER A 12 -16.808 0.829 8.670 1.00 0.00 N ATOM 182 CA SER A 12 -18.036 1.583 8.241 1.00 0.00 C ATOM 183 C SER A 12 -17.682 2.717 7.284 1.00 0.00 C ATOM 184 O SER A 12 -18.347 2.928 6.290 1.00 0.00 O ATOM 185 CB SER A 12 -18.622 2.141 9.534 1.00 0.00 C ATOM 186 OG SER A 12 -19.327 3.341 9.248 1.00 0.00 O ATOM 0 H SER A 12 -16.676 0.766 9.679 1.00 0.00 H new ATOM 0 HA SER A 12 -18.737 0.942 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 12 -19.292 1.411 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.827 2.335 10.254 1.00 0.00 H new ATOM 0 HG SER A 12 -19.707 3.703 10.076 1.00 0.00 H new ATOM 192 N GLU A 13 -16.641 3.451 7.568 1.00 0.00 N ATOM 193 CA GLU A 13 -16.292 4.553 6.637 1.00 0.00 C ATOM 194 C GLU A 13 -15.811 3.918 5.327 1.00 0.00 C ATOM 195 O GLU A 13 -15.975 4.478 4.265 1.00 0.00 O ATOM 196 CB GLU A 13 -15.185 5.359 7.326 1.00 0.00 C ATOM 197 CG GLU A 13 -15.812 6.321 8.339 1.00 0.00 C ATOM 198 CD GLU A 13 -15.677 7.757 7.826 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.759 8.009 7.064 1.00 0.00 O ATOM 200 OE2 GLU A 13 -16.495 8.580 8.205 1.00 0.00 O ATOM 0 H GLU A 13 -16.034 3.339 8.380 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.129 5.212 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.489 4.687 7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.611 5.916 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.863 6.074 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.319 6.221 9.306 1.00 0.00 H new ATOM 207 N LEU A 14 -15.270 2.721 5.388 1.00 0.00 N ATOM 208 CA LEU A 14 -14.849 2.032 4.140 1.00 0.00 C ATOM 209 C LEU A 14 -16.102 1.609 3.351 1.00 0.00 C ATOM 210 O LEU A 14 -16.145 1.750 2.146 1.00 0.00 O ATOM 211 CB LEU A 14 -14.072 0.802 4.634 1.00 0.00 C ATOM 212 CG LEU A 14 -12.546 0.969 4.464 1.00 0.00 C ATOM 213 CD1 LEU A 14 -12.152 2.437 4.324 1.00 0.00 C ATOM 214 CD2 LEU A 14 -11.849 0.407 5.701 1.00 0.00 C ATOM 0 H LEU A 14 -15.106 2.199 6.249 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.247 2.655 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.302 0.627 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.403 -0.079 4.085 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.247 0.439 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.071 2.514 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.643 2.864 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.460 2.983 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.770 0.519 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.184 0.950 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.095 -0.649 5.809 1.00 0.00 H new ATOM 226 N ILE A 15 -17.140 1.102 4.005 1.00 0.00 N ATOM 227 CA ILE A 15 -18.344 0.722 3.212 1.00 0.00 C ATOM 228 C ILE A 15 -19.026 1.989 2.694 1.00 0.00 C ATOM 229 O ILE A 15 -19.535 1.993 1.602 1.00 0.00 O ATOM 230 CB ILE A 15 -19.311 -0.099 4.093 1.00 0.00 C ATOM 231 CG1 ILE A 15 -18.754 -1.511 4.295 1.00 0.00 C ATOM 232 CG2 ILE A 15 -20.635 -0.185 3.367 1.00 0.00 C ATOM 233 CD1 ILE A 15 -18.435 -1.730 5.774 1.00 0.00 C ATOM 0 H ILE A 15 -17.195 0.945 5.011 1.00 0.00 H new ATOM 0 HA ILE A 15 -18.049 0.107 2.361 1.00 0.00 H new ATOM 0 HB ILE A 15 -19.432 0.375 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.479 -2.251 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -17.855 -1.647 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.341 -0.760 3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -21.028 0.819 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.491 -0.676 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -18.039 -2.735 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -17.694 -0.999 6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -19.344 -1.612 6.364 1.00 0.00 H new ATOM 245 N THR A 16 -19.051 3.078 3.438 1.00 0.00 N ATOM 246 CA THR A 16 -19.712 4.287 2.869 1.00 0.00 C ATOM 247 C THR A 16 -18.862 4.849 1.695 1.00 0.00 C ATOM 248 O THR A 16 -19.393 5.227 0.661 1.00 0.00 O ATOM 249 CB THR A 16 -19.863 5.299 4.033 1.00 0.00 C ATOM 250 OG1 THR A 16 -20.624 4.699 5.072 1.00 0.00 O ATOM 251 CG2 THR A 16 -20.595 6.549 3.533 1.00 0.00 C ATOM 0 H THR A 16 -18.658 3.175 4.374 1.00 0.00 H new ATOM 0 HA THR A 16 -20.694 4.063 2.453 1.00 0.00 H new ATOM 0 HB THR A 16 -18.877 5.578 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 16 -20.055 4.085 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 16 -20.701 7.261 4.352 1.00 0.00 H new ATOM 0 HG22 THR A 16 -20.023 7.007 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 16 -21.582 6.270 3.165 1.00 0.00 H new ATOM 259 N LEU A 17 -17.539 4.871 1.826 1.00 0.00 N ATOM 260 CA LEU A 17 -16.699 5.383 0.701 1.00 0.00 C ATOM 261 C LEU A 17 -16.859 4.448 -0.505 1.00 0.00 C ATOM 262 O LEU A 17 -16.922 4.888 -1.636 1.00 0.00 O ATOM 263 CB LEU A 17 -15.247 5.392 1.223 1.00 0.00 C ATOM 264 CG LEU A 17 -14.994 6.674 2.023 1.00 0.00 C ATOM 265 CD1 LEU A 17 -14.109 6.359 3.232 1.00 0.00 C ATOM 266 CD2 LEU A 17 -14.277 7.696 1.137 1.00 0.00 C ATOM 0 H LEU A 17 -17.026 4.560 2.651 1.00 0.00 H new ATOM 0 HA LEU A 17 -16.989 6.383 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.071 4.519 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.550 5.329 0.388 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.948 7.080 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.930 7.272 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.609 5.628 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.157 5.952 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.097 8.608 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.325 7.283 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.898 7.925 0.271 1.00 0.00 H new ATOM 278 N GLY A 18 -16.957 3.158 -0.273 1.00 0.00 N ATOM 279 CA GLY A 18 -17.150 2.212 -1.430 1.00 0.00 C ATOM 280 C GLY A 18 -18.545 2.440 -2.033 1.00 0.00 C ATOM 281 O GLY A 18 -18.694 2.525 -3.234 1.00 0.00 O ATOM 0 H GLY A 18 -16.913 2.722 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.381 2.378 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.049 1.180 -1.094 1.00 0.00 H new ATOM 285 N GLU A 19 -19.576 2.566 -1.220 1.00 0.00 N ATOM 286 CA GLU A 19 -20.922 2.811 -1.794 1.00 0.00 C ATOM 287 C GLU A 19 -20.835 4.082 -2.643 1.00 0.00 C ATOM 288 O GLU A 19 -21.431 4.169 -3.698 1.00 0.00 O ATOM 289 CB GLU A 19 -21.881 2.935 -0.580 1.00 0.00 C ATOM 290 CG GLU A 19 -21.930 4.363 -0.035 1.00 0.00 C ATOM 291 CD GLU A 19 -23.335 4.934 -0.238 1.00 0.00 C ATOM 292 OE1 GLU A 19 -24.215 4.574 0.528 1.00 0.00 O ATOM 293 OE2 GLU A 19 -23.508 5.721 -1.153 1.00 0.00 O ATOM 0 H GLU A 19 -19.534 2.509 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.290 2.019 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -22.883 2.625 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -21.557 2.256 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -21.672 4.369 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.195 4.985 -0.546 1.00 0.00 H new ATOM 300 N ASN A 20 -20.072 5.069 -2.218 1.00 0.00 N ATOM 301 CA ASN A 20 -19.960 6.289 -3.064 1.00 0.00 C ATOM 302 C ASN A 20 -19.360 5.914 -4.431 1.00 0.00 C ATOM 303 O ASN A 20 -19.557 6.604 -5.412 1.00 0.00 O ATOM 304 CB ASN A 20 -19.022 7.301 -2.352 1.00 0.00 C ATOM 305 CG ASN A 20 -19.520 7.594 -0.929 1.00 0.00 C ATOM 306 OD1 ASN A 20 -18.815 7.358 0.031 1.00 0.00 O ATOM 307 ND2 ASN A 20 -20.707 8.124 -0.750 1.00 0.00 N ATOM 0 H ASN A 20 -19.540 5.078 -1.348 1.00 0.00 H new ATOM 0 HA ASN A 20 -20.946 6.730 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.009 6.900 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -18.976 8.227 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -21.034 8.336 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -21.303 8.324 -1.553 1.00 0.00 H new ATOM 314 N MET A 21 -18.618 4.833 -4.498 1.00 0.00 N ATOM 315 CA MET A 21 -17.996 4.427 -5.799 1.00 0.00 C ATOM 316 C MET A 21 -18.836 3.358 -6.519 1.00 0.00 C ATOM 317 O MET A 21 -18.480 2.923 -7.595 1.00 0.00 O ATOM 318 CB MET A 21 -16.593 3.892 -5.441 1.00 0.00 C ATOM 319 CG MET A 21 -15.853 4.960 -4.637 1.00 0.00 C ATOM 320 SD MET A 21 -15.387 6.310 -5.742 1.00 0.00 S ATOM 321 CE MET A 21 -14.386 5.311 -6.867 1.00 0.00 C ATOM 0 H MET A 21 -18.417 4.216 -3.711 1.00 0.00 H new ATOM 0 HA MET A 21 -17.939 5.268 -6.490 1.00 0.00 H new ATOM 0 HB2 MET A 21 -16.676 2.972 -4.862 1.00 0.00 H new ATOM 0 HB3 MET A 21 -16.038 3.649 -6.347 1.00 0.00 H new ATOM 0 HG2 MET A 21 -16.488 5.333 -3.833 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.966 4.532 -4.170 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.747 5.963 -7.462 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.767 4.624 -6.290 1.00 0.00 H new ATOM 0 HE3 MET A 21 -15.040 4.742 -7.528 1.00 0.00 H new ATOM 331 N GLY A 22 -19.971 2.958 -5.985 1.00 0.00 N ATOM 332 CA GLY A 22 -20.798 1.963 -6.740 1.00 0.00 C ATOM 333 C GLY A 22 -20.567 0.497 -6.314 1.00 0.00 C ATOM 334 O GLY A 22 -21.239 -0.380 -6.819 1.00 0.00 O ATOM 0 H GLY A 22 -20.349 3.266 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.852 2.207 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.581 2.059 -7.804 1.00 0.00 H new ATOM 338 N LEU A 23 -19.662 0.174 -5.418 1.00 0.00 N ATOM 339 CA LEU A 23 -19.534 -1.292 -5.084 1.00 0.00 C ATOM 340 C LEU A 23 -20.193 -1.616 -3.727 1.00 0.00 C ATOM 341 O LEU A 23 -19.567 -2.060 -2.792 1.00 0.00 O ATOM 342 CB LEU A 23 -18.014 -1.686 -5.149 1.00 0.00 C ATOM 343 CG LEU A 23 -17.088 -0.731 -4.365 1.00 0.00 C ATOM 344 CD1 LEU A 23 -16.980 0.624 -5.055 1.00 0.00 C ATOM 345 CD2 LEU A 23 -17.596 -0.520 -2.949 1.00 0.00 C ATOM 0 H LEU A 23 -19.038 0.814 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 23 -20.073 -1.896 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -17.893 -2.696 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -17.698 -1.708 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 23 -16.104 -1.198 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -16.321 1.274 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -16.573 0.491 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -17.969 1.078 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -16.926 0.156 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -18.596 -0.088 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -17.631 -1.477 -2.429 1.00 0.00 H new ATOM 357 N GLU A 24 -21.490 -1.431 -3.663 1.00 0.00 N ATOM 358 CA GLU A 24 -22.283 -1.731 -2.422 1.00 0.00 C ATOM 359 C GLU A 24 -22.099 -3.188 -2.001 1.00 0.00 C ATOM 360 O GLU A 24 -21.240 -3.900 -2.481 1.00 0.00 O ATOM 361 CB GLU A 24 -23.759 -1.477 -2.843 1.00 0.00 C ATOM 362 CG GLU A 24 -24.234 -2.653 -3.732 1.00 0.00 C ATOM 363 CD GLU A 24 -25.358 -2.173 -4.653 1.00 0.00 C ATOM 364 OE1 GLU A 24 -26.485 -2.097 -4.191 1.00 0.00 O ATOM 365 OE2 GLU A 24 -25.072 -1.891 -5.805 1.00 0.00 O ATOM 0 H GLU A 24 -22.049 -1.075 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 24 -21.972 -1.121 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -24.393 -1.391 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -23.840 -0.536 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -23.402 -3.035 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -24.586 -3.475 -3.109 1.00 0.00 H new ATOM 372 N ASN A 25 -22.925 -3.608 -1.100 1.00 0.00 N ATOM 373 CA ASN A 25 -22.874 -5.032 -0.583 1.00 0.00 C ATOM 374 C ASN A 25 -21.680 -5.247 0.370 1.00 0.00 C ATOM 375 O ASN A 25 -21.353 -6.358 0.735 1.00 0.00 O ATOM 376 CB ASN A 25 -22.713 -5.908 -1.841 1.00 0.00 C ATOM 377 CG ASN A 25 -23.624 -7.138 -1.733 1.00 0.00 C ATOM 378 OD1 ASN A 25 -23.146 -8.247 -1.598 1.00 0.00 O ATOM 379 ND2 ASN A 25 -24.922 -6.993 -1.787 1.00 0.00 N ATOM 0 H ASN A 25 -23.653 -3.031 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 25 -23.769 -5.278 -0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -22.966 -5.333 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -21.674 -6.221 -1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -25.530 -7.809 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -25.327 -6.064 -1.900 1.00 0.00 H new ATOM 386 N LEU A 26 -21.029 -4.192 0.757 1.00 0.00 N ATOM 387 CA LEU A 26 -19.845 -4.292 1.671 1.00 0.00 C ATOM 388 C LEU A 26 -20.255 -4.532 3.137 1.00 0.00 C ATOM 389 O LEU A 26 -19.443 -4.950 3.937 1.00 0.00 O ATOM 390 CB LEU A 26 -19.113 -2.953 1.545 1.00 0.00 C ATOM 391 CG LEU A 26 -18.819 -2.689 0.059 1.00 0.00 C ATOM 392 CD1 LEU A 26 -19.344 -1.308 -0.346 1.00 0.00 C ATOM 393 CD2 LEU A 26 -17.305 -2.757 -0.199 1.00 0.00 C ATOM 0 H LEU A 26 -21.267 -3.241 0.477 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.221 -5.141 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.722 -2.149 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.185 -2.975 2.116 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.321 -3.452 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.130 -1.132 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.421 -1.266 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.855 -0.542 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.107 -2.569 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.799 -2.004 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.934 -3.746 0.069 1.00 0.00 H new ATOM 405 N ALA A 27 -21.485 -4.264 3.518 1.00 0.00 N ATOM 406 CA ALA A 27 -21.864 -4.487 4.945 1.00 0.00 C ATOM 407 C ALA A 27 -21.363 -5.856 5.376 1.00 0.00 C ATOM 408 O ALA A 27 -20.872 -6.039 6.473 1.00 0.00 O ATOM 409 CB ALA A 27 -23.398 -4.421 4.997 1.00 0.00 C ATOM 0 H ALA A 27 -22.226 -3.908 2.914 1.00 0.00 H new ATOM 0 HA ALA A 27 -21.429 -3.745 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.734 -4.578 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -23.732 -3.443 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -23.817 -5.195 4.355 1.00 0.00 H new ATOM 415 N ARG A 28 -21.481 -6.816 4.515 1.00 0.00 N ATOM 416 CA ARG A 28 -21.005 -8.184 4.864 1.00 0.00 C ATOM 417 C ARG A 28 -19.477 -8.315 4.670 1.00 0.00 C ATOM 418 O ARG A 28 -18.909 -9.364 4.897 1.00 0.00 O ATOM 419 CB ARG A 28 -21.743 -9.103 3.893 1.00 0.00 C ATOM 420 CG ARG A 28 -23.230 -9.134 4.252 1.00 0.00 C ATOM 421 CD ARG A 28 -24.030 -9.671 3.063 1.00 0.00 C ATOM 422 NE ARG A 28 -25.338 -10.093 3.638 1.00 0.00 N ATOM 423 CZ ARG A 28 -25.714 -11.340 3.558 1.00 0.00 C ATOM 424 NH1 ARG A 28 -26.265 -11.784 2.463 1.00 0.00 N ATOM 425 NH2 ARG A 28 -25.544 -12.140 4.574 1.00 0.00 N ATOM 0 H ARG A 28 -21.885 -6.719 3.584 1.00 0.00 H new ATOM 0 HA ARG A 28 -21.200 -8.427 5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -21.612 -8.750 2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -21.326 -10.109 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -23.391 -9.764 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -23.573 -8.133 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -24.163 -8.905 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -23.518 -10.509 2.589 1.00 0.00 H new ATOM 0 HE ARG A 28 -25.940 -9.407 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -26.402 -11.157 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -26.559 -12.759 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -25.117 -11.791 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -25.838 -13.115 4.511 1.00 0.00 H new ATOM 439 N MET A 29 -18.814 -7.270 4.234 1.00 0.00 N ATOM 440 CA MET A 29 -17.361 -7.323 4.003 1.00 0.00 C ATOM 441 C MET A 29 -16.577 -6.672 5.149 1.00 0.00 C ATOM 442 O MET A 29 -17.078 -5.818 5.852 1.00 0.00 O ATOM 443 CB MET A 29 -17.193 -6.500 2.746 1.00 0.00 C ATOM 444 CG MET A 29 -17.819 -7.266 1.590 1.00 0.00 C ATOM 445 SD MET A 29 -17.025 -6.790 0.041 1.00 0.00 S ATOM 446 CE MET A 29 -15.336 -6.965 0.646 1.00 0.00 C ATOM 0 H MET A 29 -19.242 -6.367 4.028 1.00 0.00 H new ATOM 0 HA MET A 29 -16.990 -8.345 3.929 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.672 -5.528 2.861 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.137 -6.314 2.551 1.00 0.00 H new ATOM 0 HG2 MET A 29 -17.710 -8.339 1.751 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.888 -7.058 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 29 -14.691 -7.299 -0.167 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.982 -6.004 1.019 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.312 -7.698 1.452 1.00 0.00 H new ATOM 456 N ARG A 30 -15.340 -7.044 5.310 1.00 0.00 N ATOM 457 CA ARG A 30 -14.490 -6.424 6.377 1.00 0.00 C ATOM 458 C ARG A 30 -13.759 -5.177 5.832 1.00 0.00 C ATOM 459 O ARG A 30 -13.832 -4.857 4.668 1.00 0.00 O ATOM 460 CB ARG A 30 -13.484 -7.508 6.767 1.00 0.00 C ATOM 461 CG ARG A 30 -13.094 -7.326 8.236 1.00 0.00 C ATOM 462 CD ARG A 30 -12.324 -8.555 8.724 1.00 0.00 C ATOM 463 NE ARG A 30 -13.176 -9.134 9.799 1.00 0.00 N ATOM 464 CZ ARG A 30 -13.449 -10.409 9.801 1.00 0.00 C ATOM 465 NH1 ARG A 30 -13.683 -11.030 8.678 1.00 0.00 N ATOM 466 NH2 ARG A 30 -13.489 -11.065 10.927 1.00 0.00 N ATOM 0 H ARG A 30 -14.873 -7.755 4.748 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.083 -6.092 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.918 -8.496 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.600 -7.446 6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.481 -6.432 8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.987 -7.180 8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.166 -9.270 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.340 -8.280 9.104 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.547 -8.533 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.653 -10.518 7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.896 -12.027 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.307 -10.581 11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.703 -12.062 10.929 1.00 0.00 H new ATOM 480 N LYS A 31 -13.057 -4.479 6.690 1.00 0.00 N ATOM 481 CA LYS A 31 -12.315 -3.253 6.257 1.00 0.00 C ATOM 482 C LYS A 31 -11.171 -3.613 5.291 1.00 0.00 C ATOM 483 O LYS A 31 -10.854 -2.857 4.398 1.00 0.00 O ATOM 484 CB LYS A 31 -11.746 -2.659 7.548 1.00 0.00 C ATOM 485 CG LYS A 31 -11.028 -3.744 8.354 1.00 0.00 C ATOM 486 CD LYS A 31 -10.051 -3.094 9.333 1.00 0.00 C ATOM 487 CE LYS A 31 -9.532 -4.153 10.310 1.00 0.00 C ATOM 488 NZ LYS A 31 -10.553 -4.223 11.395 1.00 0.00 N ATOM 0 H LYS A 31 -12.965 -4.707 7.680 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.964 -2.556 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.053 -1.852 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.550 -2.225 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.755 -4.348 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.493 -4.416 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.219 -2.645 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.546 -2.291 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.415 -5.118 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.555 -3.877 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.597 -5.193 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.292 -3.569 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.483 -3.956 11.014 1.00 0.00 H new ATOM 502 N GLN A 32 -10.555 -4.758 5.465 1.00 0.00 N ATOM 503 CA GLN A 32 -9.415 -5.165 4.541 1.00 0.00 C ATOM 504 C GLN A 32 -9.945 -5.380 3.115 1.00 0.00 C ATOM 505 O GLN A 32 -9.453 -4.824 2.155 1.00 0.00 O ATOM 506 CB GLN A 32 -8.784 -6.512 5.039 1.00 0.00 C ATOM 507 CG GLN A 32 -8.934 -6.736 6.571 1.00 0.00 C ATOM 508 CD GLN A 32 -8.067 -5.721 7.323 1.00 0.00 C ATOM 509 OE1 GLN A 32 -8.408 -4.559 7.409 1.00 0.00 O ATOM 510 NE2 GLN A 32 -6.946 -6.117 7.873 1.00 0.00 N ATOM 0 H GLN A 32 -10.780 -5.432 6.197 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.666 -4.373 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -9.253 -7.342 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.726 -6.527 4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.978 -6.627 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.634 -7.751 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.659 -7.093 7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.360 -5.449 8.374 1.00 0.00 H new ATOM 519 N ASP A 33 -10.928 -6.223 2.973 1.00 0.00 N ATOM 520 CA ASP A 33 -11.490 -6.510 1.634 1.00 0.00 C ATOM 521 C ASP A 33 -12.198 -5.261 1.092 1.00 0.00 C ATOM 522 O ASP A 33 -12.052 -4.927 -0.067 1.00 0.00 O ATOM 523 CB ASP A 33 -12.449 -7.674 1.860 1.00 0.00 C ATOM 524 CG ASP A 33 -13.398 -7.361 3.018 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.107 -6.375 2.930 1.00 0.00 O ATOM 526 OD2 ASP A 33 -13.401 -8.118 3.975 1.00 0.00 O ATOM 0 H ASP A 33 -11.369 -6.730 3.741 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.736 -6.770 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.022 -7.864 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.886 -8.582 2.077 1.00 0.00 H new ATOM 531 N ILE A 34 -12.948 -4.542 1.903 1.00 0.00 N ATOM 532 CA ILE A 34 -13.605 -3.322 1.370 1.00 0.00 C ATOM 533 C ILE A 34 -12.528 -2.316 0.896 1.00 0.00 C ATOM 534 O ILE A 34 -12.674 -1.716 -0.151 1.00 0.00 O ATOM 535 CB ILE A 34 -14.419 -2.782 2.552 1.00 0.00 C ATOM 536 CG1 ILE A 34 -15.625 -3.691 2.776 1.00 0.00 C ATOM 537 CG2 ILE A 34 -14.899 -1.368 2.250 1.00 0.00 C ATOM 538 CD1 ILE A 34 -16.081 -3.603 4.236 1.00 0.00 C ATOM 0 H ILE A 34 -13.124 -4.749 2.886 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.242 -3.511 0.506 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.795 -2.761 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.440 -3.399 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.366 -4.720 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.476 -0.992 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.039 -0.720 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.526 -1.379 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.942 -4.254 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.268 -3.917 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.358 -2.575 4.469 1.00 0.00 H new ATOM 550 N ILE A 35 -11.432 -2.138 1.616 1.00 0.00 N ATOM 551 CA ILE A 35 -10.382 -1.181 1.104 1.00 0.00 C ATOM 552 C ILE A 35 -9.760 -1.758 -0.182 1.00 0.00 C ATOM 553 O ILE A 35 -9.467 -1.031 -1.114 1.00 0.00 O ATOM 554 CB ILE A 35 -9.297 -0.979 2.213 1.00 0.00 C ATOM 555 CG1 ILE A 35 -8.086 -0.269 1.591 1.00 0.00 C ATOM 556 CG2 ILE A 35 -8.831 -2.324 2.794 1.00 0.00 C ATOM 557 CD1 ILE A 35 -6.845 -0.538 2.443 1.00 0.00 C ATOM 0 H ILE A 35 -11.224 -2.596 2.504 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.825 -0.213 0.869 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.733 -0.387 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.926 -0.625 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.272 0.803 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.077 -2.147 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.682 -2.845 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.403 -2.935 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.985 -0.034 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.008 -0.161 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.656 -1.611 2.482 1.00 0.00 H new ATOM 569 N PHE A 36 -9.567 -3.056 -0.265 1.00 0.00 N ATOM 570 CA PHE A 36 -8.987 -3.620 -1.517 1.00 0.00 C ATOM 571 C PHE A 36 -10.010 -3.434 -2.667 1.00 0.00 C ATOM 572 O PHE A 36 -9.656 -2.984 -3.739 1.00 0.00 O ATOM 573 CB PHE A 36 -8.720 -5.094 -1.209 1.00 0.00 C ATOM 574 CG PHE A 36 -7.461 -5.229 -0.375 1.00 0.00 C ATOM 575 CD1 PHE A 36 -6.821 -4.092 0.139 1.00 0.00 C ATOM 576 CD2 PHE A 36 -6.934 -6.501 -0.113 1.00 0.00 C ATOM 577 CE1 PHE A 36 -5.660 -4.226 0.909 1.00 0.00 C ATOM 578 CE2 PHE A 36 -5.773 -6.634 0.657 1.00 0.00 C ATOM 579 CZ PHE A 36 -5.136 -5.498 1.168 1.00 0.00 C ATOM 0 H PHE A 36 -9.783 -3.733 0.467 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.066 -3.130 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.568 -5.522 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.613 -5.655 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.225 -3.110 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.424 -7.379 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.169 -3.349 1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.368 -7.615 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.240 -5.602 1.762 1.00 0.00 H new ATOM 589 N ALA A 37 -11.286 -3.737 -2.451 1.00 0.00 N ATOM 590 CA ALA A 37 -12.300 -3.524 -3.534 1.00 0.00 C ATOM 591 C ALA A 37 -12.458 -2.024 -3.798 1.00 0.00 C ATOM 592 O ALA A 37 -12.323 -1.595 -4.920 1.00 0.00 O ATOM 593 CB ALA A 37 -13.610 -4.129 -3.011 1.00 0.00 C ATOM 0 H ALA A 37 -11.655 -4.117 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.005 -3.991 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.393 -4.005 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.466 -5.191 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.903 -3.622 -2.092 1.00 0.00 H new ATOM 599 N ILE A 38 -12.729 -1.202 -2.796 1.00 0.00 N ATOM 600 CA ILE A 38 -12.853 0.260 -3.112 1.00 0.00 C ATOM 601 C ILE A 38 -11.646 0.667 -3.959 1.00 0.00 C ATOM 602 O ILE A 38 -11.790 1.258 -4.985 1.00 0.00 O ATOM 603 CB ILE A 38 -12.854 1.068 -1.801 1.00 0.00 C ATOM 604 CG1 ILE A 38 -13.039 2.539 -2.147 1.00 0.00 C ATOM 605 CG2 ILE A 38 -11.524 0.900 -1.092 1.00 0.00 C ATOM 606 CD1 ILE A 38 -14.278 2.677 -3.019 1.00 0.00 C ATOM 0 H ILE A 38 -12.863 -1.468 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.779 0.455 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.657 0.717 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.147 3.131 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.162 2.918 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.531 1.474 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.363 -0.154 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.721 1.259 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.426 3.726 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.148 2.094 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.149 2.311 -2.475 1.00 0.00 H new ATOM 618 N LEU A 39 -10.452 0.335 -3.540 1.00 0.00 N ATOM 619 CA LEU A 39 -9.245 0.722 -4.379 1.00 0.00 C ATOM 620 C LEU A 39 -9.441 0.204 -5.809 1.00 0.00 C ATOM 621 O LEU A 39 -9.160 0.883 -6.777 1.00 0.00 O ATOM 622 CB LEU A 39 -7.993 0.070 -3.747 1.00 0.00 C ATOM 623 CG LEU A 39 -6.825 1.056 -3.817 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.157 2.310 -3.008 1.00 0.00 C ATOM 625 CD2 LEU A 39 -5.572 0.394 -3.241 1.00 0.00 C ATOM 0 H LEU A 39 -10.248 -0.173 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.125 1.805 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.194 -0.202 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.741 -0.850 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.649 1.336 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.322 3.009 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.051 2.781 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.335 2.036 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.737 1.093 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.753 0.115 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.333 -0.498 -3.820 1.00 0.00 H new ATOM 637 N LYS A 40 -9.940 -0.993 -5.932 1.00 0.00 N ATOM 638 CA LYS A 40 -10.190 -1.595 -7.281 1.00 0.00 C ATOM 639 C LYS A 40 -11.189 -0.732 -8.055 1.00 0.00 C ATOM 640 O LYS A 40 -11.108 -0.588 -9.259 1.00 0.00 O ATOM 641 CB LYS A 40 -10.815 -2.954 -6.979 1.00 0.00 C ATOM 642 CG LYS A 40 -9.855 -4.069 -7.402 1.00 0.00 C ATOM 643 CD LYS A 40 -10.209 -4.544 -8.813 1.00 0.00 C ATOM 644 CE LYS A 40 -10.443 -6.056 -8.799 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.141 -6.650 -9.210 1.00 0.00 N ATOM 0 H LYS A 40 -10.191 -1.593 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.283 -1.671 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.035 -3.035 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.762 -3.056 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.827 -3.707 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.917 -4.901 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.103 -4.030 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.403 -4.296 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.739 -6.401 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.240 -6.339 -9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.222 -7.687 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.888 -6.309 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.402 -6.369 -8.534 1.00 0.00 H new ATOM 659 N GLN A 41 -12.144 -0.175 -7.361 1.00 0.00 N ATOM 660 CA GLN A 41 -13.179 0.667 -8.030 1.00 0.00 C ATOM 661 C GLN A 41 -12.649 2.075 -8.323 1.00 0.00 C ATOM 662 O GLN A 41 -12.736 2.543 -9.440 1.00 0.00 O ATOM 663 CB GLN A 41 -14.348 0.710 -7.048 1.00 0.00 C ATOM 664 CG GLN A 41 -15.150 -0.588 -7.184 1.00 0.00 C ATOM 665 CD GLN A 41 -16.196 -0.430 -8.289 1.00 0.00 C ATOM 666 OE1 GLN A 41 -17.296 0.025 -8.040 1.00 0.00 O ATOM 667 NE2 GLN A 41 -15.899 -0.788 -9.508 1.00 0.00 N ATOM 0 H GLN A 41 -12.253 -0.268 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.473 0.256 -8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.981 0.822 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.984 1.571 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.482 -1.417 -7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -15.638 -0.827 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.976 -1.170 -9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.589 -0.686 -10.252 1.00 0.00 H new ATOM 676 N HIS A 42 -12.091 2.766 -7.359 1.00 0.00 N ATOM 677 CA HIS A 42 -11.572 4.137 -7.691 1.00 0.00 C ATOM 678 C HIS A 42 -10.476 3.996 -8.757 1.00 0.00 C ATOM 679 O HIS A 42 -10.319 4.847 -9.610 1.00 0.00 O ATOM 680 CB HIS A 42 -11.019 4.752 -6.386 1.00 0.00 C ATOM 681 CG HIS A 42 -11.767 6.023 -6.067 1.00 0.00 C ATOM 682 ND1 HIS A 42 -11.785 7.115 -6.927 1.00 0.00 N ATOM 683 CD2 HIS A 42 -12.512 6.397 -4.976 1.00 0.00 C ATOM 684 CE1 HIS A 42 -12.518 8.083 -6.341 1.00 0.00 C ATOM 685 NE2 HIS A 42 -12.984 7.696 -5.150 1.00 0.00 N ATOM 0 H HIS A 42 -11.973 2.460 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.351 4.787 -8.089 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -11.122 4.042 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.955 4.962 -6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.703 5.777 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.705 9.052 -6.780 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -13.562 8.236 -4.506 1.00 0.00 H new ATOM 693 N ALA A 43 -9.740 2.905 -8.747 1.00 0.00 N ATOM 694 CA ALA A 43 -8.701 2.706 -9.790 1.00 0.00 C ATOM 695 C ALA A 43 -9.393 2.731 -11.145 1.00 0.00 C ATOM 696 O ALA A 43 -8.946 3.380 -12.069 1.00 0.00 O ATOM 697 CB ALA A 43 -8.083 1.336 -9.525 1.00 0.00 C ATOM 0 H ALA A 43 -9.820 2.153 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.929 3.476 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.309 1.137 -10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.643 1.322 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.855 0.570 -9.592 1.00 0.00 H new ATOM 703 N LYS A 44 -10.509 2.055 -11.267 1.00 0.00 N ATOM 704 CA LYS A 44 -11.245 2.084 -12.551 1.00 0.00 C ATOM 705 C LYS A 44 -11.398 3.524 -12.998 1.00 0.00 C ATOM 706 O LYS A 44 -11.179 3.872 -14.141 1.00 0.00 O ATOM 707 CB LYS A 44 -12.597 1.522 -12.197 1.00 0.00 C ATOM 708 CG LYS A 44 -12.840 0.219 -12.960 1.00 0.00 C ATOM 709 CD LYS A 44 -12.323 -0.956 -12.129 1.00 0.00 C ATOM 710 CE LYS A 44 -11.195 -1.664 -12.885 1.00 0.00 C ATOM 711 NZ LYS A 44 -10.010 -1.567 -11.988 1.00 0.00 N ATOM 0 H LYS A 44 -10.934 1.489 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.749 1.533 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.654 1.340 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.375 2.245 -12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.904 0.096 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.333 0.249 -13.924 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.961 -0.601 -11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.134 -1.656 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.450 -2.704 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.003 -1.186 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.445 -2.437 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.429 -0.751 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.328 -1.445 -11.005 1.00 0.00 H new ATOM 725 N SER A 45 -11.769 4.366 -12.082 1.00 0.00 N ATOM 726 CA SER A 45 -11.937 5.806 -12.418 1.00 0.00 C ATOM 727 C SER A 45 -10.578 6.414 -12.759 1.00 0.00 C ATOM 728 O SER A 45 -10.479 7.530 -13.232 1.00 0.00 O ATOM 729 CB SER A 45 -12.476 6.445 -11.151 1.00 0.00 C ATOM 730 OG SER A 45 -13.730 5.863 -10.823 1.00 0.00 O ATOM 0 H SER A 45 -11.964 4.121 -11.111 1.00 0.00 H new ATOM 0 HA SER A 45 -12.597 5.958 -13.272 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.772 6.303 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.588 7.520 -11.292 1.00 0.00 H new ATOM 0 HG SER A 45 -14.077 6.274 -10.004 1.00 0.00 H new ATOM 736 N GLY A 46 -9.535 5.670 -12.543 1.00 0.00 N ATOM 737 CA GLY A 46 -8.168 6.177 -12.875 1.00 0.00 C ATOM 738 C GLY A 46 -7.684 7.226 -11.855 1.00 0.00 C ATOM 739 O GLY A 46 -6.899 8.090 -12.193 1.00 0.00 O ATOM 0 H GLY A 46 -9.564 4.729 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.467 5.343 -12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.175 6.616 -13.873 1.00 0.00 H new ATOM 743 N GLU A 47 -8.106 7.167 -10.613 1.00 0.00 N ATOM 744 CA GLU A 47 -7.607 8.175 -9.630 1.00 0.00 C ATOM 745 C GLU A 47 -6.207 7.772 -9.173 1.00 0.00 C ATOM 746 O GLU A 47 -5.760 6.666 -9.410 1.00 0.00 O ATOM 747 CB GLU A 47 -8.579 8.132 -8.444 1.00 0.00 C ATOM 748 CG GLU A 47 -9.448 9.388 -8.455 1.00 0.00 C ATOM 749 CD GLU A 47 -8.958 10.356 -7.377 1.00 0.00 C ATOM 750 OE1 GLU A 47 -8.911 9.954 -6.227 1.00 0.00 O ATOM 751 OE2 GLU A 47 -8.639 11.482 -7.721 1.00 0.00 O ATOM 0 H GLU A 47 -8.762 6.478 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.554 9.176 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.206 7.242 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.025 8.068 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.404 9.865 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.490 9.124 -8.275 1.00 0.00 H new ATOM 758 N ASP A 48 -5.509 8.656 -8.528 1.00 0.00 N ATOM 759 CA ASP A 48 -4.144 8.326 -8.063 1.00 0.00 C ATOM 760 C ASP A 48 -4.212 7.682 -6.667 1.00 0.00 C ATOM 761 O ASP A 48 -4.838 8.215 -5.772 1.00 0.00 O ATOM 762 CB ASP A 48 -3.423 9.680 -7.988 1.00 0.00 C ATOM 763 CG ASP A 48 -3.156 10.198 -9.402 1.00 0.00 C ATOM 764 OD1 ASP A 48 -4.067 10.143 -10.214 1.00 0.00 O ATOM 765 OD2 ASP A 48 -2.048 10.643 -9.650 1.00 0.00 O ATOM 0 H ASP A 48 -5.828 9.598 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.634 7.622 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.031 10.397 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.484 9.574 -7.445 1.00 0.00 H new ATOM 770 N ILE A 49 -3.569 6.562 -6.454 1.00 0.00 N ATOM 771 CA ILE A 49 -3.604 5.934 -5.100 1.00 0.00 C ATOM 772 C ILE A 49 -2.171 5.597 -4.710 1.00 0.00 C ATOM 773 O ILE A 49 -1.413 5.116 -5.530 1.00 0.00 O ATOM 774 CB ILE A 49 -4.453 4.656 -5.254 1.00 0.00 C ATOM 775 CG1 ILE A 49 -3.581 3.526 -5.849 1.00 0.00 C ATOM 776 CG2 ILE A 49 -5.648 4.936 -6.173 1.00 0.00 C ATOM 777 CD1 ILE A 49 -4.433 2.519 -6.639 1.00 0.00 C ATOM 0 H ILE A 49 -3.025 6.059 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.028 6.579 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.823 4.346 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.822 3.956 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.055 3.009 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.245 4.030 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.261 5.727 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.288 5.250 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.790 1.737 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.175 2.072 -5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.939 3.033 -7.456 1.00 0.00 H new ATOM 789 N PHE A 50 -1.745 5.863 -3.507 1.00 0.00 N ATOM 790 CA PHE A 50 -0.330 5.547 -3.230 1.00 0.00 C ATOM 791 C PHE A 50 -0.059 4.986 -1.835 1.00 0.00 C ATOM 792 O PHE A 50 -0.878 5.048 -0.947 1.00 0.00 O ATOM 793 CB PHE A 50 0.404 6.876 -3.489 1.00 0.00 C ATOM 794 CG PHE A 50 -0.330 8.005 -2.848 1.00 0.00 C ATOM 795 CD1 PHE A 50 -0.103 8.298 -1.506 1.00 0.00 C ATOM 796 CD2 PHE A 50 -1.235 8.753 -3.597 1.00 0.00 C ATOM 797 CE1 PHE A 50 -0.790 9.353 -0.900 1.00 0.00 C ATOM 798 CE2 PHE A 50 -1.928 9.808 -2.996 1.00 0.00 C ATOM 799 CZ PHE A 50 -1.707 10.110 -1.644 1.00 0.00 C ATOM 0 H PHE A 50 -2.288 6.265 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 50 0.019 4.735 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.419 6.822 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.488 7.050 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.602 7.712 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.401 8.519 -4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.615 9.585 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.633 10.390 -3.572 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.242 10.924 -1.177 1.00 0.00 H new ATOM 809 N GLY A 51 1.121 4.414 -1.658 1.00 0.00 N ATOM 810 CA GLY A 51 1.472 3.820 -0.323 1.00 0.00 C ATOM 811 C GLY A 51 2.630 4.636 0.280 1.00 0.00 C ATOM 812 O GLY A 51 3.263 5.408 -0.415 1.00 0.00 O ATOM 0 H GLY A 51 1.844 4.336 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.608 3.840 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.762 2.776 -0.437 1.00 0.00 H new ATOM 816 N ASP A 52 2.916 4.505 1.567 1.00 0.00 N ATOM 817 CA ASP A 52 4.016 5.318 2.132 1.00 0.00 C ATOM 818 C ASP A 52 4.352 4.846 3.543 1.00 0.00 C ATOM 819 O ASP A 52 3.579 4.149 4.171 1.00 0.00 O ATOM 820 CB ASP A 52 3.424 6.743 2.192 1.00 0.00 C ATOM 821 CG ASP A 52 2.161 6.711 3.054 1.00 0.00 C ATOM 822 OD1 ASP A 52 1.747 5.623 3.421 1.00 0.00 O ATOM 823 OD2 ASP A 52 1.628 7.772 3.333 1.00 0.00 O ATOM 0 H ASP A 52 2.440 3.883 2.221 1.00 0.00 H new ATOM 0 HA ASP A 52 4.932 5.253 1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.151 7.437 2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.188 7.097 1.188 1.00 0.00 H new ATOM 828 N GLY A 53 5.481 5.239 4.065 1.00 0.00 N ATOM 829 CA GLY A 53 5.804 4.809 5.470 1.00 0.00 C ATOM 830 C GLY A 53 7.290 4.459 5.620 1.00 0.00 C ATOM 831 O GLY A 53 8.159 5.175 5.161 1.00 0.00 O ATOM 0 H GLY A 53 6.180 5.821 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.545 5.607 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.196 3.944 5.736 1.00 0.00 H new ATOM 835 N VAL A 54 7.585 3.355 6.275 1.00 0.00 N ATOM 836 CA VAL A 54 8.998 2.960 6.472 1.00 0.00 C ATOM 837 C VAL A 54 9.161 1.512 6.004 1.00 0.00 C ATOM 838 O VAL A 54 8.476 0.623 6.468 1.00 0.00 O ATOM 839 CB VAL A 54 9.244 3.104 7.974 1.00 0.00 C ATOM 840 CG1 VAL A 54 10.741 3.217 8.233 1.00 0.00 C ATOM 841 CG2 VAL A 54 8.564 4.376 8.474 1.00 0.00 C ATOM 0 H VAL A 54 6.898 2.718 6.678 1.00 0.00 H new ATOM 0 HA VAL A 54 9.709 3.565 5.910 1.00 0.00 H new ATOM 0 HB VAL A 54 8.841 2.234 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.918 3.320 9.304 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.242 2.321 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.135 4.091 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.736 4.484 9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.977 5.239 7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.493 4.315 8.283 1.00 0.00 H new ATOM 851 N LEU A 55 10.007 1.274 5.028 1.00 0.00 N ATOM 852 CA LEU A 55 10.115 -0.124 4.491 1.00 0.00 C ATOM 853 C LEU A 55 10.599 -1.151 5.541 1.00 0.00 C ATOM 854 O LEU A 55 11.196 -0.809 6.543 1.00 0.00 O ATOM 855 CB LEU A 55 11.132 -0.081 3.350 1.00 0.00 C ATOM 856 CG LEU A 55 10.395 -0.106 2.014 1.00 0.00 C ATOM 857 CD1 LEU A 55 11.423 -0.145 0.897 1.00 0.00 C ATOM 858 CD2 LEU A 55 9.504 -1.356 1.922 1.00 0.00 C ATOM 0 H LEU A 55 10.613 1.966 4.589 1.00 0.00 H new ATOM 0 HA LEU A 55 9.124 -0.447 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.742 0.820 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.810 -0.932 3.420 1.00 0.00 H new ATOM 0 HG LEU A 55 9.768 0.782 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.913 -0.163 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.057 0.740 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.038 -1.039 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.984 -1.362 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.122 -2.250 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.774 -1.343 2.731 1.00 0.00 H new ATOM 870 N GLU A 56 10.364 -2.418 5.269 1.00 0.00 N ATOM 871 CA GLU A 56 10.807 -3.531 6.165 1.00 0.00 C ATOM 872 C GLU A 56 11.379 -4.658 5.254 1.00 0.00 C ATOM 873 O GLU A 56 10.639 -5.211 4.451 1.00 0.00 O ATOM 874 CB GLU A 56 9.519 -4.004 6.848 1.00 0.00 C ATOM 875 CG GLU A 56 9.708 -5.419 7.403 1.00 0.00 C ATOM 876 CD GLU A 56 10.625 -5.372 8.627 1.00 0.00 C ATOM 877 OE1 GLU A 56 11.793 -5.062 8.458 1.00 0.00 O ATOM 878 OE2 GLU A 56 10.143 -5.648 9.713 1.00 0.00 O ATOM 0 H GLU A 56 9.867 -2.731 4.435 1.00 0.00 H new ATOM 0 HA GLU A 56 11.566 -3.247 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.254 -3.321 7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.694 -3.991 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.743 -5.846 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.138 -6.066 6.638 1.00 0.00 H new ATOM 885 N ILE A 57 12.670 -5.010 5.333 1.00 0.00 N ATOM 886 CA ILE A 57 13.181 -6.086 4.424 1.00 0.00 C ATOM 887 C ILE A 57 12.885 -7.456 5.061 1.00 0.00 C ATOM 888 O ILE A 57 12.691 -7.545 6.257 1.00 0.00 O ATOM 889 CB ILE A 57 14.719 -5.899 4.240 1.00 0.00 C ATOM 890 CG1 ILE A 57 15.067 -4.399 4.119 1.00 0.00 C ATOM 891 CG2 ILE A 57 15.197 -6.640 2.972 1.00 0.00 C ATOM 892 CD1 ILE A 57 15.053 -3.940 2.650 1.00 0.00 C ATOM 0 H ILE A 57 13.356 -4.604 5.970 1.00 0.00 H new ATOM 0 HA ILE A 57 12.693 -6.030 3.451 1.00 0.00 H new ATOM 0 HB ILE A 57 15.223 -6.314 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.352 -3.810 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.051 -4.216 4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.272 -6.503 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.975 -7.703 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.682 -6.238 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 57 15.302 -2.880 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 57 15.786 -4.513 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.061 -4.101 2.228 1.00 0.00 H new ATOM 904 N LEU A 58 12.860 -8.527 4.304 1.00 0.00 N ATOM 905 CA LEU A 58 12.588 -9.853 4.936 1.00 0.00 C ATOM 906 C LEU A 58 13.630 -10.872 4.479 1.00 0.00 C ATOM 907 O LEU A 58 14.015 -10.904 3.327 1.00 0.00 O ATOM 908 CB LEU A 58 11.184 -10.252 4.478 1.00 0.00 C ATOM 909 CG LEU A 58 10.163 -9.608 5.429 1.00 0.00 C ATOM 910 CD1 LEU A 58 9.717 -8.254 4.874 1.00 0.00 C ATOM 911 CD2 LEU A 58 8.940 -10.516 5.589 1.00 0.00 C ATOM 0 H LEU A 58 13.013 -8.541 3.296 1.00 0.00 H new ATOM 0 HA LEU A 58 12.645 -9.810 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.010 -9.921 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.077 -11.337 4.484 1.00 0.00 H new ATOM 0 HG LEU A 58 10.635 -9.467 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.993 -7.803 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.582 -7.598 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.258 -8.395 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.225 -10.047 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.472 -10.671 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.251 -11.477 5.999 1.00 0.00 H new ATOM 923 N GLN A 59 14.097 -11.694 5.382 1.00 0.00 N ATOM 924 CA GLN A 59 15.126 -12.711 5.019 1.00 0.00 C ATOM 925 C GLN A 59 14.843 -13.283 3.635 1.00 0.00 C ATOM 926 O GLN A 59 15.741 -13.581 2.872 1.00 0.00 O ATOM 927 CB GLN A 59 14.999 -13.792 6.094 1.00 0.00 C ATOM 928 CG GLN A 59 15.647 -15.088 5.605 1.00 0.00 C ATOM 929 CD GLN A 59 16.204 -15.866 6.800 1.00 0.00 C ATOM 930 OE1 GLN A 59 17.378 -16.175 6.844 1.00 0.00 O ATOM 931 NE2 GLN A 59 15.404 -16.197 7.778 1.00 0.00 N ATOM 0 H GLN A 59 13.808 -11.704 6.360 1.00 0.00 H new ATOM 0 HA GLN A 59 16.131 -12.291 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.478 -13.460 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.948 -13.965 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.914 -15.695 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 59 16.447 -14.863 4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.418 -15.937 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.765 -16.715 8.579 1.00 0.00 H new ATOM 940 N ASP A 60 13.600 -13.453 3.316 1.00 0.00 N ATOM 941 CA ASP A 60 13.245 -14.028 1.978 1.00 0.00 C ATOM 942 C ASP A 60 13.744 -13.154 0.816 1.00 0.00 C ATOM 943 O ASP A 60 13.698 -13.562 -0.328 1.00 0.00 O ATOM 944 CB ASP A 60 11.719 -14.134 1.972 1.00 0.00 C ATOM 945 CG ASP A 60 11.259 -14.890 3.218 1.00 0.00 C ATOM 946 OD1 ASP A 60 11.585 -16.061 3.331 1.00 0.00 O ATOM 947 OD2 ASP A 60 10.591 -14.287 4.042 1.00 0.00 O ATOM 0 H ASP A 60 12.807 -13.223 3.915 1.00 0.00 H new ATOM 0 HA ASP A 60 13.723 -14.996 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.274 -13.139 1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.383 -14.652 1.074 1.00 0.00 H new ATOM 952 N GLY A 61 14.256 -11.986 1.080 1.00 0.00 N ATOM 953 CA GLY A 61 14.792 -11.148 -0.067 1.00 0.00 C ATOM 954 C GLY A 61 13.720 -10.200 -0.650 1.00 0.00 C ATOM 955 O GLY A 61 13.953 -9.548 -1.647 1.00 0.00 O ATOM 0 H GLY A 61 14.333 -11.570 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.642 -10.561 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.159 -11.806 -0.855 1.00 0.00 H new ATOM 959 N PHE A 62 12.574 -10.083 -0.033 1.00 0.00 N ATOM 960 CA PHE A 62 11.537 -9.150 -0.541 1.00 0.00 C ATOM 961 C PHE A 62 11.157 -8.282 0.673 1.00 0.00 C ATOM 962 O PHE A 62 11.746 -8.453 1.729 1.00 0.00 O ATOM 963 CB PHE A 62 10.393 -10.055 -1.077 1.00 0.00 C ATOM 964 CG PHE A 62 9.425 -10.471 0.014 1.00 0.00 C ATOM 965 CD1 PHE A 62 9.833 -10.590 1.352 1.00 0.00 C ATOM 966 CD2 PHE A 62 8.099 -10.750 -0.332 1.00 0.00 C ATOM 967 CE1 PHE A 62 8.913 -10.982 2.330 1.00 0.00 C ATOM 968 CE2 PHE A 62 7.181 -11.142 0.646 1.00 0.00 C ATOM 969 CZ PHE A 62 7.588 -11.259 1.978 1.00 0.00 C ATOM 0 H PHE A 62 12.314 -10.600 0.807 1.00 0.00 H new ATOM 0 HA PHE A 62 11.830 -8.482 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.849 -9.524 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.823 -10.945 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.856 -10.379 1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.783 -10.662 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.227 -11.071 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.158 -11.354 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.880 -11.563 2.735 1.00 0.00 H new ATOM 979 N GLY A 63 10.254 -7.342 0.595 1.00 0.00 N ATOM 980 CA GLY A 63 10.015 -6.549 1.816 1.00 0.00 C ATOM 981 C GLY A 63 8.642 -5.874 1.795 1.00 0.00 C ATOM 982 O GLY A 63 7.989 -5.849 0.762 1.00 0.00 O ATOM 0 H GLY A 63 9.698 -7.101 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.089 -7.196 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.792 -5.790 1.915 1.00 0.00 H new ATOM 986 N PHE A 64 8.184 -5.273 2.887 1.00 0.00 N ATOM 987 CA PHE A 64 6.875 -4.586 2.797 1.00 0.00 C ATOM 988 C PHE A 64 6.998 -3.154 3.358 1.00 0.00 C ATOM 989 O PHE A 64 7.821 -2.884 4.233 1.00 0.00 O ATOM 990 CB PHE A 64 5.864 -5.357 3.684 1.00 0.00 C ATOM 991 CG PHE A 64 5.164 -6.486 2.944 1.00 0.00 C ATOM 992 CD1 PHE A 64 5.897 -7.532 2.372 1.00 0.00 C ATOM 993 CD2 PHE A 64 3.761 -6.497 2.866 1.00 0.00 C ATOM 994 CE1 PHE A 64 5.230 -8.584 1.723 1.00 0.00 C ATOM 995 CE2 PHE A 64 3.098 -7.544 2.213 1.00 0.00 C ATOM 996 CZ PHE A 64 3.831 -8.590 1.642 1.00 0.00 C ATOM 0 H PHE A 64 8.652 -5.238 3.793 1.00 0.00 H new ATOM 0 HA PHE A 64 6.550 -4.552 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.386 -5.766 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.116 -4.660 4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.975 -7.530 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.191 -5.695 3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.798 -9.392 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.020 -7.544 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.321 -9.399 1.141 1.00 0.00 H new ATOM 1006 N LEU A 65 6.171 -2.256 2.894 1.00 0.00 N ATOM 1007 CA LEU A 65 6.148 -0.867 3.414 1.00 0.00 C ATOM 1008 C LEU A 65 4.985 -0.792 4.426 1.00 0.00 C ATOM 1009 O LEU A 65 4.073 -1.614 4.373 1.00 0.00 O ATOM 1010 CB LEU A 65 5.838 0.001 2.193 1.00 0.00 C ATOM 1011 CG LEU A 65 6.592 1.334 2.284 1.00 0.00 C ATOM 1012 CD1 LEU A 65 7.206 1.673 0.922 1.00 0.00 C ATOM 1013 CD2 LEU A 65 5.616 2.447 2.680 1.00 0.00 C ATOM 0 H LEU A 65 5.493 -2.438 2.154 1.00 0.00 H new ATOM 0 HA LEU A 65 7.072 -0.552 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.124 -0.525 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.765 0.185 2.132 1.00 0.00 H new ATOM 0 HG LEU A 65 7.381 1.249 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.741 2.620 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.900 0.885 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.415 1.755 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.151 3.394 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.829 2.525 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.172 2.214 3.648 1.00 0.00 H new ATOM 1025 N ARG A 66 4.977 0.178 5.314 1.00 0.00 N ATOM 1026 CA ARG A 66 3.865 0.298 6.297 1.00 0.00 C ATOM 1027 C ARG A 66 4.134 1.490 7.238 1.00 0.00 C ATOM 1028 O ARG A 66 4.953 2.340 6.955 1.00 0.00 O ATOM 1029 CB ARG A 66 3.861 -1.035 7.067 1.00 0.00 C ATOM 1030 CG ARG A 66 4.695 -0.916 8.349 1.00 0.00 C ATOM 1031 CD ARG A 66 5.149 -2.303 8.800 1.00 0.00 C ATOM 1032 NE ARG A 66 6.606 -2.161 9.065 1.00 0.00 N ATOM 1033 CZ ARG A 66 7.020 -1.464 10.090 1.00 0.00 C ATOM 1034 NH1 ARG A 66 6.162 -1.010 10.964 1.00 0.00 N ATOM 1035 NH2 ARG A 66 8.292 -1.217 10.238 1.00 0.00 N ATOM 0 H ARG A 66 5.700 0.892 5.395 1.00 0.00 H new ATOM 0 HA ARG A 66 2.900 0.480 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.837 -1.315 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.264 -1.828 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.562 -0.279 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.106 -0.443 9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.614 -2.622 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.958 -3.051 8.030 1.00 0.00 H new ATOM 0 HE ARG A 66 7.282 -2.608 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.167 -1.199 10.847 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.487 -0.466 11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.963 -1.568 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.616 -0.673 11.038 1.00 0.00 H new ATOM 1049 N SER A 67 3.462 1.547 8.366 1.00 0.00 N ATOM 1050 CA SER A 67 3.699 2.680 9.316 1.00 0.00 C ATOM 1051 C SER A 67 5.051 2.518 10.006 1.00 0.00 C ATOM 1052 O SER A 67 5.944 1.863 9.506 1.00 0.00 O ATOM 1053 CB SER A 67 2.565 2.592 10.336 1.00 0.00 C ATOM 1054 OG SER A 67 1.384 2.136 9.689 1.00 0.00 O ATOM 0 H SER A 67 2.766 0.864 8.666 1.00 0.00 H new ATOM 0 HA SER A 67 3.715 3.644 8.808 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.838 1.911 11.142 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.391 3.568 10.789 1.00 0.00 H new ATOM 0 HG SER A 67 0.655 2.077 10.342 1.00 0.00 H new ATOM 1187 N ASP A 78 -0.619 -3.473 4.606 1.00 0.00 N ATOM 1188 CA ASP A 78 0.724 -2.846 4.321 1.00 0.00 C ATOM 1189 C ASP A 78 0.920 -2.724 2.802 1.00 0.00 C ATOM 1190 O ASP A 78 -0.034 -2.647 2.054 1.00 0.00 O ATOM 1191 CB ASP A 78 1.781 -3.799 4.922 1.00 0.00 C ATOM 1192 CG ASP A 78 1.468 -4.049 6.400 1.00 0.00 C ATOM 1193 OD1 ASP A 78 0.302 -4.216 6.719 1.00 0.00 O ATOM 1194 OD2 ASP A 78 2.399 -4.068 7.187 1.00 0.00 O ATOM 0 HA ASP A 78 0.806 -1.848 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.786 -4.743 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.776 -3.366 4.819 1.00 0.00 H new ATOM 1199 N ILE A 79 2.144 -2.728 2.335 1.00 0.00 N ATOM 1200 CA ILE A 79 2.360 -2.637 0.838 1.00 0.00 C ATOM 1201 C ILE A 79 3.446 -3.658 0.393 1.00 0.00 C ATOM 1202 O ILE A 79 4.445 -3.799 1.076 1.00 0.00 O ATOM 1203 CB ILE A 79 2.820 -1.185 0.550 1.00 0.00 C ATOM 1204 CG1 ILE A 79 1.590 -0.264 0.506 1.00 0.00 C ATOM 1205 CG2 ILE A 79 3.538 -1.115 -0.806 1.00 0.00 C ATOM 1206 CD1 ILE A 79 1.217 0.198 1.919 1.00 0.00 C ATOM 0 H ILE A 79 2.991 -2.788 2.901 1.00 0.00 H new ATOM 0 HA ILE A 79 1.450 -2.872 0.287 1.00 0.00 H new ATOM 0 HB ILE A 79 3.503 -0.868 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.798 0.601 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.749 -0.791 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.856 -0.090 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.410 -1.769 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.858 -1.437 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.344 0.849 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.988 -0.670 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.053 0.744 2.356 1.00 0.00 H new ATOM 1218 N TYR A 80 3.300 -4.380 -0.726 1.00 0.00 N ATOM 1219 CA TYR A 80 4.403 -5.359 -1.086 1.00 0.00 C ATOM 1220 C TYR A 80 5.578 -4.608 -1.774 1.00 0.00 C ATOM 1221 O TYR A 80 5.357 -3.643 -2.485 1.00 0.00 O ATOM 1222 CB TYR A 80 3.789 -6.419 -2.041 1.00 0.00 C ATOM 1223 CG TYR A 80 4.850 -7.367 -2.572 1.00 0.00 C ATOM 1224 CD1 TYR A 80 5.949 -7.722 -1.785 1.00 0.00 C ATOM 1225 CD2 TYR A 80 4.722 -7.897 -3.869 1.00 0.00 C ATOM 1226 CE1 TYR A 80 6.918 -8.595 -2.287 1.00 0.00 C ATOM 1227 CE2 TYR A 80 5.692 -8.769 -4.368 1.00 0.00 C ATOM 1228 CZ TYR A 80 6.792 -9.118 -3.578 1.00 0.00 C ATOM 1229 OH TYR A 80 7.751 -9.979 -4.072 1.00 0.00 O ATOM 0 H TYR A 80 2.509 -4.335 -1.368 1.00 0.00 H new ATOM 0 HA TYR A 80 4.801 -5.843 -0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.023 -6.987 -1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.296 -5.918 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.050 -7.321 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.872 -7.629 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.766 -8.867 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.593 -9.174 -5.364 1.00 0.00 H new ATOM 0 HH TYR A 80 7.510 -10.249 -4.983 1.00 0.00 H new ATOM 1239 N VAL A 81 6.823 -5.024 -1.580 1.00 0.00 N ATOM 1240 CA VAL A 81 7.968 -4.314 -2.226 1.00 0.00 C ATOM 1241 C VAL A 81 9.043 -5.334 -2.673 1.00 0.00 C ATOM 1242 O VAL A 81 9.671 -5.974 -1.853 1.00 0.00 O ATOM 1243 CB VAL A 81 8.546 -3.375 -1.153 1.00 0.00 C ATOM 1244 CG1 VAL A 81 9.914 -2.880 -1.611 1.00 0.00 C ATOM 1245 CG2 VAL A 81 7.609 -2.187 -0.986 1.00 0.00 C ATOM 0 H VAL A 81 7.083 -5.823 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 81 7.648 -3.763 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 81 8.647 -3.903 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.331 -2.214 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.580 -3.731 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.809 -2.341 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.007 -1.513 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.522 -1.656 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.625 -2.540 -0.677 1.00 0.00 H new ATOM 1255 N SER A 82 9.256 -5.504 -3.962 1.00 0.00 N ATOM 1256 CA SER A 82 10.288 -6.502 -4.436 1.00 0.00 C ATOM 1257 C SER A 82 11.722 -5.991 -4.235 1.00 0.00 C ATOM 1258 O SER A 82 11.951 -4.820 -3.996 1.00 0.00 O ATOM 1259 CB SER A 82 10.004 -6.698 -5.944 1.00 0.00 C ATOM 1260 OG SER A 82 8.844 -7.504 -6.098 1.00 0.00 O ATOM 0 H SER A 82 8.767 -5.002 -4.703 1.00 0.00 H new ATOM 0 HA SER A 82 10.216 -7.430 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.858 -5.732 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.858 -7.171 -6.429 1.00 0.00 H new ATOM 0 HG SER A 82 8.534 -7.803 -5.218 1.00 0.00 H new ATOM 1266 N PRO A 83 12.642 -6.919 -4.374 1.00 0.00 N ATOM 1267 CA PRO A 83 14.086 -6.610 -4.242 1.00 0.00 C ATOM 1268 C PRO A 83 14.500 -5.673 -5.370 1.00 0.00 C ATOM 1269 O PRO A 83 15.029 -4.606 -5.137 1.00 0.00 O ATOM 1270 CB PRO A 83 14.764 -7.974 -4.366 1.00 0.00 C ATOM 1271 CG PRO A 83 13.783 -8.810 -5.116 1.00 0.00 C ATOM 1272 CD PRO A 83 12.423 -8.341 -4.678 1.00 0.00 C ATOM 0 HA PRO A 83 14.351 -6.112 -3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.712 -7.899 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.982 -8.400 -3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.910 -8.690 -6.192 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.921 -9.868 -4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.678 -8.475 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.069 -8.890 -3.805 1.00 0.00 H new ATOM 1280 N SER A 84 14.229 -6.047 -6.595 1.00 0.00 N ATOM 1281 CA SER A 84 14.575 -5.148 -7.729 1.00 0.00 C ATOM 1282 C SER A 84 14.135 -3.734 -7.355 1.00 0.00 C ATOM 1283 O SER A 84 14.837 -2.773 -7.570 1.00 0.00 O ATOM 1284 CB SER A 84 13.772 -5.671 -8.917 1.00 0.00 C ATOM 1285 OG SER A 84 13.618 -7.079 -8.796 1.00 0.00 O ATOM 0 H SER A 84 13.787 -6.929 -6.854 1.00 0.00 H new ATOM 0 HA SER A 84 15.640 -5.127 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.795 -5.188 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.281 -5.428 -9.850 1.00 0.00 H new ATOM 0 HG SER A 84 13.101 -7.418 -9.556 1.00 0.00 H new ATOM 1291 N GLN A 85 12.985 -3.615 -6.751 1.00 0.00 N ATOM 1292 CA GLN A 85 12.519 -2.245 -6.322 1.00 0.00 C ATOM 1293 C GLN A 85 13.513 -1.694 -5.286 1.00 0.00 C ATOM 1294 O GLN A 85 14.108 -0.655 -5.480 1.00 0.00 O ATOM 1295 CB GLN A 85 11.121 -2.400 -5.689 1.00 0.00 C ATOM 1296 CG GLN A 85 10.039 -2.483 -6.779 1.00 0.00 C ATOM 1297 CD GLN A 85 10.217 -1.347 -7.792 1.00 0.00 C ATOM 1298 OE1 GLN A 85 11.046 -1.429 -8.678 1.00 0.00 O ATOM 1299 NE2 GLN A 85 9.457 -0.286 -7.707 1.00 0.00 N ATOM 0 H GLN A 85 12.351 -4.384 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 85 12.467 -1.558 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.093 -3.298 -5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.918 -1.555 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.098 -3.445 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.050 -2.423 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.761 -0.215 -6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.560 0.471 -8.383 1.00 0.00 H new ATOM 1308 N ILE A 86 13.716 -2.398 -4.197 1.00 0.00 N ATOM 1309 CA ILE A 86 14.704 -1.911 -3.170 1.00 0.00 C ATOM 1310 C ILE A 86 16.070 -1.785 -3.824 1.00 0.00 C ATOM 1311 O ILE A 86 16.709 -0.749 -3.771 1.00 0.00 O ATOM 1312 CB ILE A 86 14.801 -2.966 -2.037 1.00 0.00 C ATOM 1313 CG1 ILE A 86 13.602 -3.930 -2.045 1.00 0.00 C ATOM 1314 CG2 ILE A 86 14.849 -2.250 -0.694 1.00 0.00 C ATOM 1315 CD1 ILE A 86 13.617 -4.828 -0.796 1.00 0.00 C ATOM 0 H ILE A 86 13.250 -3.277 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 86 14.385 -0.948 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 86 15.706 -3.551 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.673 -3.362 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.631 -4.547 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 86 14.917 -2.985 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 86 15.720 -1.596 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 86 13.944 -1.656 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.761 -5.502 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 86 14.537 -5.412 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 86 13.564 -4.208 0.099 1.00 0.00 H new ATOM 1327 N ARG A 87 16.527 -2.843 -4.415 1.00 0.00 N ATOM 1328 CA ARG A 87 17.865 -2.823 -5.067 1.00 0.00 C ATOM 1329 C ARG A 87 17.956 -1.713 -6.104 1.00 0.00 C ATOM 1330 O ARG A 87 18.956 -1.034 -6.230 1.00 0.00 O ATOM 1331 CB ARG A 87 17.978 -4.176 -5.762 1.00 0.00 C ATOM 1332 CG ARG A 87 19.003 -5.048 -5.031 1.00 0.00 C ATOM 1333 CD ARG A 87 18.636 -5.137 -3.547 1.00 0.00 C ATOM 1334 NE ARG A 87 19.620 -4.259 -2.855 1.00 0.00 N ATOM 1335 CZ ARG A 87 19.687 -4.255 -1.552 1.00 0.00 C ATOM 1336 NH1 ARG A 87 20.210 -5.272 -0.923 1.00 0.00 N ATOM 1337 NH2 ARG A 87 19.231 -3.235 -0.878 1.00 0.00 N ATOM 0 H ARG A 87 16.030 -3.732 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 87 18.659 -2.645 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.007 -4.672 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.278 -4.038 -6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.027 -6.045 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 87 20.002 -4.626 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.614 -4.800 -3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.699 -6.163 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 87 20.241 -3.661 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 87 20.566 -6.069 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.263 -5.269 0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.822 -2.440 -1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.284 -3.232 0.141 1.00 0.00 H new ATOM 1351 N ARG A 88 16.929 -1.560 -6.870 1.00 0.00 N ATOM 1352 CA ARG A 88 16.957 -0.514 -7.954 1.00 0.00 C ATOM 1353 C ARG A 88 17.153 0.895 -7.383 1.00 0.00 C ATOM 1354 O ARG A 88 17.822 1.710 -7.987 1.00 0.00 O ATOM 1355 CB ARG A 88 15.625 -0.596 -8.735 1.00 0.00 C ATOM 1356 CG ARG A 88 15.690 -1.760 -9.729 1.00 0.00 C ATOM 1357 CD ARG A 88 16.624 -1.400 -10.887 1.00 0.00 C ATOM 1358 NE ARG A 88 17.428 -2.632 -11.125 1.00 0.00 N ATOM 1359 CZ ARG A 88 16.842 -3.731 -11.519 1.00 0.00 C ATOM 1360 NH1 ARG A 88 16.623 -3.934 -12.789 1.00 0.00 N ATOM 1361 NH2 ARG A 88 16.475 -4.626 -10.642 1.00 0.00 N ATOM 0 H ARG A 88 16.067 -2.102 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 88 17.803 -0.707 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.794 -0.739 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.443 0.339 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.047 -2.659 -9.227 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.693 -1.982 -10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.061 -1.117 -11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.262 -0.554 -10.632 1.00 0.00 H new ATOM 0 HE ARG A 88 18.438 -2.617 -10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.909 -3.235 -13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.165 -4.792 -13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.646 -4.467 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.017 -5.484 -10.950 1.00 0.00 H new ATOM 1375 N PHE A 89 16.596 1.218 -6.243 1.00 0.00 N ATOM 1376 CA PHE A 89 16.820 2.614 -5.732 1.00 0.00 C ATOM 1377 C PHE A 89 17.736 2.613 -4.496 1.00 0.00 C ATOM 1378 O PHE A 89 17.861 3.614 -3.819 1.00 0.00 O ATOM 1379 CB PHE A 89 15.427 3.220 -5.414 1.00 0.00 C ATOM 1380 CG PHE A 89 14.431 2.751 -6.450 1.00 0.00 C ATOM 1381 CD1 PHE A 89 14.443 3.317 -7.731 1.00 0.00 C ATOM 1382 CD2 PHE A 89 13.500 1.754 -6.136 1.00 0.00 C ATOM 1383 CE1 PHE A 89 13.526 2.888 -8.696 1.00 0.00 C ATOM 1384 CE2 PHE A 89 12.583 1.323 -7.102 1.00 0.00 C ATOM 1385 CZ PHE A 89 12.596 1.890 -8.382 1.00 0.00 C ATOM 0 H PHE A 89 16.019 0.609 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 89 17.327 3.220 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 89 15.104 2.916 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 89 15.483 4.309 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 89 15.161 4.086 -7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.489 1.317 -5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 89 13.535 3.326 -9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.865 0.553 -6.860 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.889 1.557 -9.127 1.00 0.00 H new ATOM 1395 N ASN A 90 18.399 1.514 -4.195 1.00 0.00 N ATOM 1396 CA ASN A 90 19.306 1.505 -3.019 1.00 0.00 C ATOM 1397 C ASN A 90 18.514 1.829 -1.757 1.00 0.00 C ATOM 1398 O ASN A 90 18.856 2.718 -1.002 1.00 0.00 O ATOM 1399 CB ASN A 90 20.352 2.601 -3.308 1.00 0.00 C ATOM 1400 CG ASN A 90 21.712 2.166 -2.757 1.00 0.00 C ATOM 1401 OD1 ASN A 90 22.127 2.614 -1.708 1.00 0.00 O ATOM 1402 ND2 ASN A 90 22.430 1.305 -3.427 1.00 0.00 N ATOM 0 H ASN A 90 18.345 0.637 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 90 19.778 0.535 -2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.422 2.778 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.046 3.541 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.338 1.010 -3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.083 0.928 -4.309 1.00 0.00 H new ATOM 1409 N LEU A 91 17.454 1.112 -1.526 1.00 0.00 N ATOM 1410 CA LEU A 91 16.632 1.372 -0.307 1.00 0.00 C ATOM 1411 C LEU A 91 17.145 0.516 0.856 1.00 0.00 C ATOM 1412 O LEU A 91 17.994 -0.333 0.675 1.00 0.00 O ATOM 1413 CB LEU A 91 15.200 0.946 -0.690 1.00 0.00 C ATOM 1414 CG LEU A 91 14.479 2.018 -1.539 1.00 0.00 C ATOM 1415 CD1 LEU A 91 15.381 3.226 -1.821 1.00 0.00 C ATOM 1416 CD2 LEU A 91 14.052 1.398 -2.872 1.00 0.00 C ATOM 0 H LEU A 91 17.118 0.358 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 91 16.677 2.414 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.238 0.009 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.625 0.755 0.216 1.00 0.00 H new ATOM 0 HG LEU A 91 13.613 2.365 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.836 3.955 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.682 3.683 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.267 2.899 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.543 2.149 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.933 1.040 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.376 0.563 -2.685 1.00 0.00 H new ATOM 1428 N ARG A 92 16.610 0.699 2.038 1.00 0.00 N ATOM 1429 CA ARG A 92 17.053 -0.144 3.191 1.00 0.00 C ATOM 1430 C ARG A 92 15.858 -0.352 4.137 1.00 0.00 C ATOM 1431 O ARG A 92 14.907 0.424 4.137 1.00 0.00 O ATOM 1432 CB ARG A 92 18.164 0.645 3.914 1.00 0.00 C ATOM 1433 CG ARG A 92 19.286 1.000 2.934 1.00 0.00 C ATOM 1434 CD ARG A 92 20.633 0.947 3.658 1.00 0.00 C ATOM 1435 NE ARG A 92 20.556 2.008 4.698 1.00 0.00 N ATOM 1436 CZ ARG A 92 21.588 2.775 4.922 1.00 0.00 C ATOM 1437 NH1 ARG A 92 21.954 3.652 4.027 1.00 0.00 N ATOM 1438 NH2 ARG A 92 22.253 2.665 6.038 1.00 0.00 N ATOM 0 H ARG A 92 15.891 1.390 2.253 1.00 0.00 H new ATOM 0 HA ARG A 92 17.419 -1.118 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.750 1.555 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.564 0.052 4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.284 0.304 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.122 1.996 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.802 -0.032 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.458 1.129 2.969 1.00 0.00 H new ATOM 0 HE ARG A 92 19.698 2.136 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.434 3.737 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.760 4.252 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.967 1.979 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.059 3.265 6.212 1.00 0.00 H new ATOM 1452 N THR A 93 15.883 -1.352 4.977 1.00 0.00 N ATOM 1453 CA THR A 93 14.706 -1.508 5.888 1.00 0.00 C ATOM 1454 C THR A 93 14.664 -0.269 6.781 1.00 0.00 C ATOM 1455 O THR A 93 15.677 0.366 6.993 1.00 0.00 O ATOM 1456 CB THR A 93 14.877 -2.790 6.773 1.00 0.00 C ATOM 1457 OG1 THR A 93 13.592 -3.213 7.206 1.00 0.00 O ATOM 1458 CG2 THR A 93 15.724 -2.460 8.011 1.00 0.00 C ATOM 0 H THR A 93 16.629 -2.041 5.074 1.00 0.00 H new ATOM 0 HA THR A 93 13.785 -1.611 5.315 1.00 0.00 H new ATOM 0 HB THR A 93 15.368 -3.571 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.668 -3.643 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.839 -3.355 8.622 1.00 0.00 H new ATOM 0 HG22 THR A 93 16.706 -2.107 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.229 -1.684 8.594 1.00 0.00 H new ATOM 1466 N GLY A 94 13.537 0.091 7.325 1.00 0.00 N ATOM 1467 CA GLY A 94 13.558 1.310 8.207 1.00 0.00 C ATOM 1468 C GLY A 94 13.600 2.590 7.343 1.00 0.00 C ATOM 1469 O GLY A 94 13.439 3.681 7.856 1.00 0.00 O ATOM 0 H GLY A 94 12.636 -0.374 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.675 1.322 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.426 1.277 8.865 1.00 0.00 H new ATOM 1473 N ASP A 95 13.836 2.493 6.044 1.00 0.00 N ATOM 1474 CA ASP A 95 13.902 3.730 5.216 1.00 0.00 C ATOM 1475 C ASP A 95 12.517 4.397 5.111 1.00 0.00 C ATOM 1476 O ASP A 95 11.496 3.731 5.077 1.00 0.00 O ATOM 1477 CB ASP A 95 14.373 3.262 3.831 1.00 0.00 C ATOM 1478 CG ASP A 95 15.902 3.218 3.802 1.00 0.00 C ATOM 1479 OD1 ASP A 95 16.496 3.217 4.868 1.00 0.00 O ATOM 1480 OD2 ASP A 95 16.454 3.186 2.714 1.00 0.00 O ATOM 0 H ASP A 95 13.982 1.619 5.539 1.00 0.00 H new ATOM 0 HA ASP A 95 14.573 4.470 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.966 2.275 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.003 3.939 3.061 1.00 0.00 H new ATOM 1485 N THR A 96 12.494 5.706 5.036 1.00 0.00 N ATOM 1486 CA THR A 96 11.219 6.465 4.913 1.00 0.00 C ATOM 1487 C THR A 96 10.890 6.635 3.415 1.00 0.00 C ATOM 1488 O THR A 96 11.697 7.188 2.683 1.00 0.00 O ATOM 1489 CB THR A 96 11.508 7.836 5.559 1.00 0.00 C ATOM 1490 OG1 THR A 96 12.720 7.764 6.299 1.00 0.00 O ATOM 1491 CG2 THR A 96 10.365 8.225 6.499 1.00 0.00 C ATOM 0 H THR A 96 13.330 6.290 5.056 1.00 0.00 H new ATOM 0 HA THR A 96 10.375 5.968 5.390 1.00 0.00 H new ATOM 0 HB THR A 96 11.598 8.587 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.906 8.635 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.579 9.194 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.434 8.284 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.267 7.474 7.283 1.00 0.00 H new ATOM 1499 N ILE A 97 9.759 6.164 2.913 1.00 0.00 N ATOM 1500 CA ILE A 97 9.523 6.338 1.447 1.00 0.00 C ATOM 1501 C ILE A 97 8.040 6.561 1.104 1.00 0.00 C ATOM 1502 O ILE A 97 7.152 6.350 1.911 1.00 0.00 O ATOM 1503 CB ILE A 97 10.024 5.022 0.799 1.00 0.00 C ATOM 1504 CG1 ILE A 97 11.274 4.512 1.547 1.00 0.00 C ATOM 1505 CG2 ILE A 97 10.352 5.235 -0.683 1.00 0.00 C ATOM 1506 CD1 ILE A 97 12.006 3.476 0.680 1.00 0.00 C ATOM 0 H ILE A 97 9.024 5.688 3.436 1.00 0.00 H new ATOM 0 HA ILE A 97 10.044 7.223 1.081 1.00 0.00 H new ATOM 0 HB ILE A 97 9.231 4.278 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.939 5.345 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.984 4.066 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.702 4.298 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.457 5.567 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 97 11.131 5.992 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.888 3.117 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.340 2.638 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.310 3.937 -0.260 1.00 0.00 H new ATOM 1518 N SER A 98 7.786 6.978 -0.137 1.00 0.00 N ATOM 1519 CA SER A 98 6.389 7.203 -0.581 1.00 0.00 C ATOM 1520 C SER A 98 6.283 6.917 -2.084 1.00 0.00 C ATOM 1521 O SER A 98 7.177 7.277 -2.843 1.00 0.00 O ATOM 1522 CB SER A 98 6.081 8.696 -0.281 1.00 0.00 C ATOM 1523 OG SER A 98 6.926 9.502 -1.085 1.00 0.00 O ATOM 0 H SER A 98 8.498 7.165 -0.843 1.00 0.00 H new ATOM 0 HA SER A 98 5.682 6.550 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.035 8.916 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.245 8.912 0.775 1.00 0.00 H new ATOM 0 HG SER A 98 7.252 8.977 -1.845 1.00 0.00 H new ATOM 1529 N GLY A 99 5.209 6.260 -2.538 1.00 0.00 N ATOM 1530 CA GLY A 99 5.146 5.971 -4.016 1.00 0.00 C ATOM 1531 C GLY A 99 3.733 5.590 -4.546 1.00 0.00 C ATOM 1532 O GLY A 99 2.783 5.479 -3.791 1.00 0.00 O ATOM 0 H GLY A 99 4.422 5.933 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.498 6.848 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.835 5.158 -4.243 1.00 0.00 H new ATOM 1536 N LYS A 100 3.607 5.358 -5.874 1.00 0.00 N ATOM 1537 CA LYS A 100 2.282 4.964 -6.455 1.00 0.00 C ATOM 1538 C LYS A 100 2.193 3.430 -6.366 1.00 0.00 C ATOM 1539 O LYS A 100 3.235 2.782 -6.312 1.00 0.00 O ATOM 1540 CB LYS A 100 2.245 5.472 -7.917 1.00 0.00 C ATOM 1541 CG LYS A 100 2.430 4.316 -8.907 1.00 0.00 C ATOM 1542 CD LYS A 100 2.212 4.824 -10.334 1.00 0.00 C ATOM 1543 CE LYS A 100 0.721 5.088 -10.560 1.00 0.00 C ATOM 1544 NZ LYS A 100 0.161 3.783 -11.013 1.00 0.00 N ATOM 0 H LYS A 100 4.369 5.430 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 100 1.432 5.394 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.295 5.970 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.030 6.213 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.431 3.896 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.725 3.516 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.783 5.738 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.575 4.089 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.237 5.428 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.567 5.865 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.848 3.897 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.670 3.463 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.270 3.077 -10.257 1.00 0.00 H new ATOM 1558 N ILE A 101 1.010 2.819 -6.345 1.00 0.00 N ATOM 1559 CA ILE A 101 0.981 1.320 -6.199 1.00 0.00 C ATOM 1560 C ILE A 101 0.236 0.601 -7.347 1.00 0.00 C ATOM 1561 O ILE A 101 -0.531 1.212 -8.064 1.00 0.00 O ATOM 1562 CB ILE A 101 0.278 1.082 -4.834 1.00 0.00 C ATOM 1563 CG1 ILE A 101 -0.847 2.120 -4.637 1.00 0.00 C ATOM 1564 CG2 ILE A 101 1.304 1.215 -3.701 1.00 0.00 C ATOM 1565 CD1 ILE A 101 -1.511 1.952 -3.261 1.00 0.00 C ATOM 0 H ILE A 101 0.102 3.278 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 101 1.988 0.905 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.152 0.081 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.439 3.127 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.594 2.006 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.812 1.048 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.094 0.476 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.736 2.215 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.301 2.694 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.938 0.952 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.765 2.090 -2.478 1.00 0.00 H new ATOM 1577 N ARG A 102 0.448 -0.707 -7.534 1.00 0.00 N ATOM 1578 CA ARG A 102 -0.263 -1.418 -8.627 1.00 0.00 C ATOM 1579 C ARG A 102 -0.613 -2.836 -8.150 1.00 0.00 C ATOM 1580 O ARG A 102 0.230 -3.548 -7.632 1.00 0.00 O ATOM 1581 CB ARG A 102 0.739 -1.447 -9.790 1.00 0.00 C ATOM 1582 CG ARG A 102 0.469 -2.654 -10.698 1.00 0.00 C ATOM 1583 CD ARG A 102 -0.876 -2.475 -11.406 1.00 0.00 C ATOM 1584 NE ARG A 102 -0.589 -2.750 -12.841 1.00 0.00 N ATOM 1585 CZ ARG A 102 -1.238 -3.692 -13.470 1.00 0.00 C ATOM 1586 NH1 ARG A 102 -2.474 -3.498 -13.836 1.00 0.00 N ATOM 1587 NH2 ARG A 102 -0.650 -4.827 -13.732 1.00 0.00 N ATOM 0 H ARG A 102 1.077 -1.283 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.196 -0.940 -8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.663 -0.525 -10.367 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.756 -1.497 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.268 -2.754 -11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.462 -3.571 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.625 -3.163 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.266 -1.467 -11.267 1.00 0.00 H new ATOM 0 HE ARG A 102 0.116 -2.201 -13.333 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.933 -2.611 -13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.982 -4.234 -14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.317 -4.978 -13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.157 -5.563 -14.223 1.00 0.00 H new ATOM 1688 N ARG A 109 -2.078 -11.550 -3.448 1.00 0.00 N ATOM 1689 CA ARG A 109 -2.846 -11.164 -2.218 1.00 0.00 C ATOM 1690 C ARG A 109 -2.544 -9.719 -1.757 1.00 0.00 C ATOM 1691 O ARG A 109 -3.448 -9.001 -1.377 1.00 0.00 O ATOM 1692 CB ARG A 109 -2.429 -12.179 -1.135 1.00 0.00 C ATOM 1693 CG ARG A 109 -3.373 -12.063 0.067 1.00 0.00 C ATOM 1694 CD ARG A 109 -4.241 -13.320 0.159 1.00 0.00 C ATOM 1695 NE ARG A 109 -3.278 -14.431 0.387 1.00 0.00 N ATOM 1696 CZ ARG A 109 -3.675 -15.671 0.293 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -4.925 -15.942 0.024 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -2.821 -16.641 0.466 1.00 0.00 N ATOM 0 HA ARG A 109 -3.918 -11.185 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.460 -13.191 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.401 -11.992 -0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.797 -11.938 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.003 -11.180 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.960 -13.246 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.813 -13.474 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.306 -14.223 0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.593 -15.184 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.232 -16.912 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.845 -16.430 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.129 -17.611 0.393 1.00 0.00 H new ATOM 1712 N TYR A 110 -1.310 -9.268 -1.783 1.00 0.00 N ATOM 1713 CA TYR A 110 -1.056 -7.840 -1.328 1.00 0.00 C ATOM 1714 C TYR A 110 -0.755 -6.946 -2.558 1.00 0.00 C ATOM 1715 O TYR A 110 -0.184 -7.416 -3.521 1.00 0.00 O ATOM 1716 CB TYR A 110 0.180 -7.847 -0.361 1.00 0.00 C ATOM 1717 CG TYR A 110 0.084 -8.988 0.640 1.00 0.00 C ATOM 1718 CD1 TYR A 110 0.623 -10.245 0.333 1.00 0.00 C ATOM 1719 CD2 TYR A 110 -0.539 -8.786 1.885 1.00 0.00 C ATOM 1720 CE1 TYR A 110 0.536 -11.294 1.257 1.00 0.00 C ATOM 1721 CE2 TYR A 110 -0.623 -9.837 2.808 1.00 0.00 C ATOM 1722 CZ TYR A 110 -0.087 -11.090 2.493 1.00 0.00 C ATOM 1723 OH TYR A 110 -0.171 -12.125 3.402 1.00 0.00 O ATOM 0 H TYR A 110 -0.490 -9.794 -2.085 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.933 -7.445 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.098 -7.943 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.236 -6.897 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.107 -10.405 -0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.953 -7.819 2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.950 -12.262 1.015 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.102 -9.679 3.763 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.632 -11.815 4.209 1.00 0.00 H new ATOM 1733 N PHE A 111 -1.103 -5.661 -2.556 1.00 0.00 N ATOM 1734 CA PHE A 111 -0.767 -4.833 -3.765 1.00 0.00 C ATOM 1735 C PHE A 111 0.767 -4.691 -3.837 1.00 0.00 C ATOM 1736 O PHE A 111 1.457 -5.021 -2.887 1.00 0.00 O ATOM 1737 CB PHE A 111 -1.421 -3.451 -3.543 1.00 0.00 C ATOM 1738 CG PHE A 111 -2.859 -3.485 -4.003 1.00 0.00 C ATOM 1739 CD1 PHE A 111 -3.611 -4.657 -3.870 1.00 0.00 C ATOM 1740 CD2 PHE A 111 -3.443 -2.340 -4.563 1.00 0.00 C ATOM 1741 CE1 PHE A 111 -4.943 -4.688 -4.295 1.00 0.00 C ATOM 1742 CE2 PHE A 111 -4.777 -2.371 -4.989 1.00 0.00 C ATOM 1743 CZ PHE A 111 -5.527 -3.545 -4.855 1.00 0.00 C ATOM 0 H PHE A 111 -1.584 -5.175 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 111 -1.125 -5.281 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.374 -3.181 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.872 -2.686 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.162 -5.539 -3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.864 -1.434 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.522 -5.594 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.227 -1.489 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.556 -3.569 -5.183 1.00 0.00 H new ATOM 1753 N ALA A 112 1.328 -4.211 -4.931 1.00 0.00 N ATOM 1754 CA ALA A 112 2.813 -4.107 -4.967 1.00 0.00 C ATOM 1755 C ALA A 112 3.242 -2.649 -5.223 1.00 0.00 C ATOM 1756 O ALA A 112 2.512 -1.875 -5.802 1.00 0.00 O ATOM 1757 CB ALA A 112 3.257 -4.998 -6.125 1.00 0.00 C ATOM 0 H ALA A 112 0.835 -3.899 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 112 3.262 -4.414 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.343 -4.969 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.934 -6.023 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.811 -4.639 -7.052 1.00 0.00 H new ATOM 1763 N LEU A 113 4.432 -2.262 -4.787 1.00 0.00 N ATOM 1764 CA LEU A 113 4.863 -0.853 -5.023 1.00 0.00 C ATOM 1765 C LEU A 113 4.988 -0.664 -6.543 1.00 0.00 C ATOM 1766 O LEU A 113 5.259 -1.608 -7.257 1.00 0.00 O ATOM 1767 CB LEU A 113 6.221 -0.658 -4.292 1.00 0.00 C ATOM 1768 CG LEU A 113 7.127 0.331 -5.053 1.00 0.00 C ATOM 1769 CD1 LEU A 113 6.781 1.766 -4.656 1.00 0.00 C ATOM 1770 CD2 LEU A 113 8.589 0.067 -4.691 1.00 0.00 C ATOM 0 H LEU A 113 5.100 -2.852 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 113 4.157 -0.116 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.044 -0.289 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.727 -1.619 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 113 6.973 0.196 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.425 2.459 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.739 1.971 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.932 1.893 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.229 0.766 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.728 0.200 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.854 -0.954 -4.967 1.00 0.00 H new ATOM 1782 N LEU A 114 4.779 0.515 -7.062 1.00 0.00 N ATOM 1783 CA LEU A 114 4.883 0.671 -8.551 1.00 0.00 C ATOM 1784 C LEU A 114 5.825 1.822 -8.956 1.00 0.00 C ATOM 1785 O LEU A 114 6.772 1.610 -9.686 1.00 0.00 O ATOM 1786 CB LEU A 114 3.450 0.908 -9.040 1.00 0.00 C ATOM 1787 CG LEU A 114 3.424 0.792 -10.584 1.00 0.00 C ATOM 1788 CD1 LEU A 114 3.616 -0.675 -10.981 1.00 0.00 C ATOM 1789 CD2 LEU A 114 2.073 1.279 -11.108 1.00 0.00 C ATOM 0 H LEU A 114 4.546 1.360 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 114 5.321 -0.217 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.774 0.178 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.103 1.894 -8.730 1.00 0.00 H new ATOM 0 HG LEU A 114 4.223 1.400 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.599 -0.763 -12.067 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.574 -1.032 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.812 -1.275 -10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.054 1.198 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.276 0.667 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.924 2.319 -10.819 1.00 0.00 H new ATOM 1801 N LYS A 115 5.602 3.027 -8.496 1.00 0.00 N ATOM 1802 CA LYS A 115 6.539 4.143 -8.889 1.00 0.00 C ATOM 1803 C LYS A 115 7.110 4.807 -7.608 1.00 0.00 C ATOM 1804 O LYS A 115 6.396 4.964 -6.634 1.00 0.00 O ATOM 1805 CB LYS A 115 5.680 5.155 -9.728 1.00 0.00 C ATOM 1806 CG LYS A 115 5.636 6.536 -9.051 1.00 0.00 C ATOM 1807 CD LYS A 115 5.118 7.575 -10.046 1.00 0.00 C ATOM 1808 CE LYS A 115 4.757 8.862 -9.299 1.00 0.00 C ATOM 1809 NZ LYS A 115 6.047 9.592 -9.146 1.00 0.00 N ATOM 0 H LYS A 115 4.833 3.291 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 115 7.388 3.790 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.100 5.250 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.667 4.770 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.989 6.503 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.631 6.814 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.877 7.781 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.244 7.188 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.032 9.454 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.309 8.644 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.885 10.612 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.436 9.414 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.721 9.260 -9.865 1.00 0.00 H new ATOM 1823 N VAL A 116 8.369 5.215 -7.590 1.00 0.00 N ATOM 1824 CA VAL A 116 8.903 5.876 -6.335 1.00 0.00 C ATOM 1825 C VAL A 116 8.756 7.411 -6.411 1.00 0.00 C ATOM 1826 O VAL A 116 9.151 8.037 -7.374 1.00 0.00 O ATOM 1827 CB VAL A 116 10.407 5.473 -6.148 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.102 6.465 -5.213 1.00 0.00 C ATOM 1829 CG2 VAL A 116 10.482 4.080 -5.502 1.00 0.00 C ATOM 0 H VAL A 116 9.031 5.125 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 116 8.324 5.535 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 116 10.894 5.474 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.146 6.178 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.050 7.466 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.606 6.459 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.526 3.796 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.987 4.102 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.987 3.353 -6.146 1.00 0.00 H new ATOM 1839 N ASN A 117 8.214 8.014 -5.381 1.00 0.00 N ATOM 1840 CA ASN A 117 8.058 9.511 -5.354 1.00 0.00 C ATOM 1841 C ASN A 117 9.067 10.118 -4.376 1.00 0.00 C ATOM 1842 O ASN A 117 9.666 11.139 -4.652 1.00 0.00 O ATOM 1843 CB ASN A 117 6.638 9.815 -4.827 1.00 0.00 C ATOM 1844 CG ASN A 117 5.591 8.998 -5.594 1.00 0.00 C ATOM 1845 OD1 ASN A 117 5.917 8.293 -6.527 1.00 0.00 O ATOM 1846 ND2 ASN A 117 4.331 9.066 -5.232 1.00 0.00 N ATOM 0 H ASN A 117 7.869 7.534 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 117 8.220 9.926 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.581 9.582 -3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.425 10.879 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.626 8.527 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.057 9.658 -4.448 1.00 0.00 H new ATOM 1853 N GLU A 118 9.273 9.506 -3.240 1.00 0.00 N ATOM 1854 CA GLU A 118 10.258 10.071 -2.278 1.00 0.00 C ATOM 1855 C GLU A 118 11.001 8.931 -1.567 1.00 0.00 C ATOM 1856 O GLU A 118 10.522 7.802 -1.519 1.00 0.00 O ATOM 1857 CB GLU A 118 9.433 10.883 -1.281 1.00 0.00 C ATOM 1858 CG GLU A 118 9.934 12.328 -1.264 1.00 0.00 C ATOM 1859 CD GLU A 118 11.388 12.360 -0.790 1.00 0.00 C ATOM 1860 OE1 GLU A 118 12.190 11.635 -1.353 1.00 0.00 O ATOM 1861 OE2 GLU A 118 11.674 13.113 0.128 1.00 0.00 O ATOM 0 H GLU A 118 8.807 8.649 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 118 11.009 10.689 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.379 10.855 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.514 10.447 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.856 12.763 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.312 12.932 -0.603 1.00 0.00 H new ATOM 1868 N VAL A 119 12.163 9.230 -1.012 1.00 0.00 N ATOM 1869 CA VAL A 119 12.981 8.182 -0.324 1.00 0.00 C ATOM 1870 C VAL A 119 13.963 8.859 0.666 1.00 0.00 C ATOM 1871 O VAL A 119 14.553 9.871 0.347 1.00 0.00 O ATOM 1872 CB VAL A 119 13.791 7.502 -1.450 1.00 0.00 C ATOM 1873 CG1 VAL A 119 14.459 6.231 -0.923 1.00 0.00 C ATOM 1874 CG2 VAL A 119 12.875 7.126 -2.617 1.00 0.00 C ATOM 0 H VAL A 119 12.576 10.163 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 119 12.363 7.477 0.232 1.00 0.00 H new ATOM 0 HB VAL A 119 14.549 8.205 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.027 5.759 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 119 15.131 6.486 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.696 5.540 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.462 6.648 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.106 6.437 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.403 8.025 -3.014 1.00 0.00 H new ATOM 1884 N ASN A 120 14.151 8.324 1.864 1.00 0.00 N ATOM 1885 CA ASN A 120 15.113 8.993 2.826 1.00 0.00 C ATOM 1886 C ASN A 120 14.834 10.505 2.909 1.00 0.00 C ATOM 1887 O ASN A 120 15.756 11.295 2.945 1.00 0.00 O ATOM 1888 CB ASN A 120 16.499 8.769 2.200 1.00 0.00 C ATOM 1889 CG ASN A 120 17.310 7.806 3.072 1.00 0.00 C ATOM 1890 OD1 ASN A 120 17.247 7.909 4.374 1.00 0.00 O flip ATOM 1891 ND2 ASN A 120 18.009 6.952 2.565 1.00 0.00 N flip ATOM 0 H ASN A 120 13.696 7.479 2.210 1.00 0.00 H new ATOM 0 HA ASN A 120 15.025 8.590 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 120 16.393 8.362 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 120 17.024 9.720 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 120 18.059 6.871 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 120 18.546 6.316 3.155 1.00 0.00 H new