USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 68 ASN : amide:sc= -0.31 K(o=0.86,f=-0.53) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.775) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -114:sc= 2.05 (180deg=0.034) USER MOD Set 2.2: A 88 TYR OH : rot 30:sc= 0.677 USER MOD Set 3.1: A 41 THR OG1 : rot 124:sc= 1.44 USER MOD Set 3.2: A 75 CYS SG : rot 140:sc= -0.112 USER MOD Set 4.1: A 37 ASN : amide:sc= 1.15 K(o=2,f=0.3) USER MOD Set 4.2: A 74 SER OG : rot 48:sc= 0.85 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -124:sc= 0.737 (180deg=-0.0387) USER MOD Set 5.2: A 14 TYR OH : rot 15:sc= 0.682 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.26 (180deg=1.31!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.22 USER MOD Single : A 3 ASN : amide:sc= -0.993 K(o=-0.99,f=-0.21) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.17 K(o=1.2,f=-0.38) USER MOD Single : A 12 LYS NZ :NH3+ -129:sc= 1.21 (180deg=-0.729!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.2 K(o=1.2,f=-0.16) USER MOD Single : A 34 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.84) USER MOD Single : A 40 HIS : no HD1:sc= -0.459 K(o=-0.46,f=0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0.022 USER MOD Single : A 50 GLN : amide:sc= -0.749 K(o=-0.75,f=-2.4) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.844 (180deg=0.773) USER MOD Single : A 63 HIS : no HE2:sc= 1.24 K(o=1.2,f=-3.9!) USER MOD Single : A 67 ASN : amide:sc= 0.0248 X(o=0.025,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.925) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 173:sc= -2.27 (180deg=-2.39!) USER MOD Single : A 84 LYS NZ :NH3+ -109:sc= 0.451 (180deg=-0.74) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.54! K(o=-1.5!,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 97 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=-0.02) USER MOD Single : A 98 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-7.2!) USER MOD Single : A 99 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.58) USER MOD Single : A 100 HIS : no HD1:sc= -2.05! K(o=-2.1!,f=0.017) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0049 X(o=-0.0049,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.602 4.837 2.355 1.00 0.00 N ATOM 2 CA MET A 1 21.396 4.757 0.893 1.00 0.00 C ATOM 3 C MET A 1 22.297 3.693 0.285 1.00 0.00 C ATOM 4 O MET A 1 23.438 3.518 0.710 1.00 0.00 O ATOM 5 CB MET A 1 21.668 6.116 0.232 1.00 0.00 C ATOM 6 CG MET A 1 23.109 6.602 0.358 1.00 0.00 C ATOM 7 SD MET A 1 23.602 6.929 2.064 1.00 0.00 S ATOM 8 CE MET A 1 25.308 7.423 1.831 1.00 0.00 C ATOM 0 H1 MET A 1 20.795 5.326 2.793 1.00 0.00 H new ATOM 0 H2 MET A 1 21.680 3.877 2.748 1.00 0.00 H new ATOM 0 H3 MET A 1 22.476 5.365 2.554 1.00 0.00 H new ATOM 0 HA MET A 1 20.357 4.483 0.712 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.411 6.050 -0.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.006 6.860 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.777 5.854 -0.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.232 7.512 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.754 7.659 2.797 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.862 6.608 1.365 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.348 8.303 1.189 1.00 0.00 H new ATOM 20 N SER A 2 21.778 2.984 -0.702 1.00 0.00 N ATOM 21 CA SER A 2 22.533 1.944 -1.375 1.00 0.00 C ATOM 22 C SER A 2 22.390 2.081 -2.888 1.00 0.00 C ATOM 23 O SER A 2 23.317 2.508 -3.577 1.00 0.00 O ATOM 24 CB SER A 2 22.040 0.576 -0.900 1.00 0.00 C ATOM 25 OG SER A 2 20.621 0.527 -0.908 1.00 0.00 O ATOM 0 H SER A 2 20.830 3.112 -1.056 1.00 0.00 H new ATOM 0 HA SER A 2 23.590 2.043 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.440 -0.205 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.411 0.379 0.106 1.00 0.00 H new ATOM 0 HG SER A 2 20.322 -0.355 -0.603 1.00 0.00 H new ATOM 31 N ASN A 3 21.212 1.742 -3.390 1.00 0.00 N ATOM 32 CA ASN A 3 20.914 1.845 -4.809 1.00 0.00 C ATOM 33 C ASN A 3 19.404 1.892 -4.997 1.00 0.00 C ATOM 34 O ASN A 3 18.667 1.292 -4.214 1.00 0.00 O ATOM 35 CB ASN A 3 21.501 0.645 -5.564 1.00 0.00 C ATOM 36 CG ASN A 3 21.409 0.785 -7.074 1.00 0.00 C ATOM 37 OD1 ASN A 3 21.214 -0.198 -7.787 1.00 0.00 O ATOM 38 ND2 ASN A 3 21.579 2.000 -7.582 1.00 0.00 N ATOM 0 H ASN A 3 20.439 1.389 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 3 21.362 2.755 -5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 3 22.546 0.521 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.978 -0.261 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.550 2.139 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 3 21.739 2.794 -6.962 1.00 0.00 H new ATOM 45 N LEU A 4 18.939 2.611 -6.008 1.00 0.00 N ATOM 46 CA LEU A 4 17.508 2.704 -6.269 1.00 0.00 C ATOM 47 C LEU A 4 17.012 1.450 -6.979 1.00 0.00 C ATOM 48 O LEU A 4 16.923 1.410 -8.206 1.00 0.00 O ATOM 49 CB LEU A 4 17.168 3.951 -7.099 1.00 0.00 C ATOM 50 CG LEU A 4 17.174 5.284 -6.337 1.00 0.00 C ATOM 51 CD1 LEU A 4 18.583 5.674 -5.913 1.00 0.00 C ATOM 52 CD2 LEU A 4 16.549 6.382 -7.184 1.00 0.00 C ATOM 0 H LEU A 4 19.526 3.135 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 4 17.002 2.791 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 4 17.879 4.021 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.182 3.812 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 4 16.578 5.156 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 4 18.552 6.622 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 4 18.994 4.902 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.213 5.778 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.561 7.320 -6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 4 17.118 6.498 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.520 6.115 -7.424 1.00 0.00 H new ATOM 64 N GLU A 5 16.728 0.420 -6.198 1.00 0.00 N ATOM 65 CA GLU A 5 16.236 -0.842 -6.727 1.00 0.00 C ATOM 66 C GLU A 5 14.815 -1.098 -6.252 1.00 0.00 C ATOM 67 O GLU A 5 14.479 -0.834 -5.097 1.00 0.00 O ATOM 68 CB GLU A 5 17.143 -1.992 -6.291 1.00 0.00 C ATOM 69 CG GLU A 5 18.502 -1.986 -6.970 1.00 0.00 C ATOM 70 CD GLU A 5 18.432 -2.389 -8.430 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.951 -1.591 -9.260 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.878 -3.506 -8.760 1.00 0.00 O ATOM 0 H GLU A 5 16.831 0.435 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 5 16.239 -0.782 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.285 -1.942 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.644 -2.938 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.937 -0.989 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.170 -2.666 -6.442 1.00 0.00 H new ATOM 79 N ILE A 6 13.985 -1.610 -7.144 1.00 0.00 N ATOM 80 CA ILE A 6 12.600 -1.891 -6.817 1.00 0.00 C ATOM 81 C ILE A 6 12.491 -3.206 -6.053 1.00 0.00 C ATOM 82 O ILE A 6 12.502 -4.290 -6.643 1.00 0.00 O ATOM 83 CB ILE A 6 11.710 -1.946 -8.078 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.850 -0.648 -8.883 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.255 -2.181 -7.688 1.00 0.00 C ATOM 86 CD1 ILE A 6 11.071 -0.646 -10.184 1.00 0.00 C ATOM 0 H ILE A 6 14.248 -1.840 -8.102 1.00 0.00 H new ATOM 0 HA ILE A 6 12.244 -1.074 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 6 12.037 -2.777 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.514 0.187 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.904 -0.479 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.639 -2.218 -8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.170 -3.126 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.914 -1.368 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.220 0.305 -10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.422 -1.459 -10.819 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.010 -0.782 -9.973 1.00 0.00 H new ATOM 98 N LYS A 7 12.425 -3.104 -4.737 1.00 0.00 N ATOM 99 CA LYS A 7 12.250 -4.269 -3.891 1.00 0.00 C ATOM 100 C LYS A 7 10.772 -4.574 -3.737 1.00 0.00 C ATOM 101 O LYS A 7 9.981 -3.686 -3.429 1.00 0.00 O ATOM 102 CB LYS A 7 12.866 -4.029 -2.512 1.00 0.00 C ATOM 103 CG LYS A 7 14.386 -4.099 -2.478 1.00 0.00 C ATOM 104 CD LYS A 7 14.878 -5.527 -2.661 1.00 0.00 C ATOM 105 CE LYS A 7 14.296 -6.457 -1.602 1.00 0.00 C ATOM 106 NZ LYS A 7 14.707 -6.080 -0.222 1.00 0.00 N ATOM 0 H LYS A 7 12.490 -2.221 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 7 12.753 -5.115 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.552 -3.049 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.465 -4.766 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.799 -3.466 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.749 -3.706 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.601 -5.884 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.966 -5.548 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.208 -6.443 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.615 -7.479 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.166 -6.892 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.374 -5.283 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.868 -5.801 0.326 1.00 0.00 H new ATOM 120 N GLN A 8 10.395 -5.821 -3.959 1.00 0.00 N ATOM 121 CA GLN A 8 9.032 -6.233 -3.697 1.00 0.00 C ATOM 122 C GLN A 8 8.991 -7.065 -2.427 1.00 0.00 C ATOM 123 O GLN A 8 9.787 -7.984 -2.240 1.00 0.00 O ATOM 124 CB GLN A 8 8.422 -6.998 -4.879 1.00 0.00 C ATOM 125 CG GLN A 8 9.121 -8.300 -5.219 1.00 0.00 C ATOM 126 CD GLN A 8 8.437 -9.037 -6.357 1.00 0.00 C ATOM 127 OE1 GLN A 8 8.749 -8.830 -7.529 1.00 0.00 O ATOM 128 NE2 GLN A 8 7.499 -9.909 -6.019 1.00 0.00 N ATOM 0 H GLN A 8 11.006 -6.556 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 8 8.425 -5.338 -3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.376 -7.210 -4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.436 -6.353 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.156 -8.094 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.145 -8.939 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.268 -10.054 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.008 -10.436 -6.742 1.00 0.00 H new ATOM 137 N GLY A 9 8.086 -6.707 -1.547 1.00 0.00 N ATOM 138 CA GLY A 9 7.962 -7.394 -0.283 1.00 0.00 C ATOM 139 C GLY A 9 6.631 -8.089 -0.166 1.00 0.00 C ATOM 140 O GLY A 9 6.084 -8.530 -1.174 1.00 0.00 O ATOM 0 H GLY A 9 7.424 -5.943 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.766 -8.124 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.075 -6.681 0.534 1.00 0.00 H new ATOM 144 N GLU A 10 6.103 -8.152 1.055 1.00 0.00 N ATOM 145 CA GLU A 10 4.823 -8.803 1.337 1.00 0.00 C ATOM 146 C GLU A 10 3.695 -8.155 0.523 1.00 0.00 C ATOM 147 O GLU A 10 3.013 -7.248 1.006 1.00 0.00 O ATOM 148 CB GLU A 10 4.539 -8.704 2.845 1.00 0.00 C ATOM 149 CG GLU A 10 3.623 -9.790 3.399 1.00 0.00 C ATOM 150 CD GLU A 10 2.212 -9.715 2.861 1.00 0.00 C ATOM 151 OE1 GLU A 10 1.403 -8.943 3.409 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.909 -10.432 1.887 1.00 0.00 O ATOM 0 H GLU A 10 6.551 -7.752 1.879 1.00 0.00 H new ATOM 0 HA GLU A 10 4.874 -9.852 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.487 -8.740 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.092 -7.732 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.044 -10.767 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.595 -9.712 4.486 1.00 0.00 H new ATOM 159 N ASN A 11 3.537 -8.622 -0.719 1.00 0.00 N ATOM 160 CA ASN A 11 2.590 -8.051 -1.677 1.00 0.00 C ATOM 161 C ASN A 11 2.681 -6.527 -1.689 1.00 0.00 C ATOM 162 O ASN A 11 1.672 -5.818 -1.590 1.00 0.00 O ATOM 163 CB ASN A 11 1.159 -8.510 -1.381 1.00 0.00 C ATOM 164 CG ASN A 11 0.951 -9.986 -1.666 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.622 -10.370 -2.787 1.00 0.00 O ATOM 166 ND2 ASN A 11 1.128 -10.825 -0.655 1.00 0.00 N ATOM 0 H ASN A 11 4.066 -9.412 -1.089 1.00 0.00 H new ATOM 0 HA ASN A 11 2.858 -8.415 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.925 -8.309 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.462 -7.926 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.991 -11.826 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.401 -10.469 0.261 1.00 0.00 H new ATOM 173 N LYS A 12 3.907 -6.030 -1.803 1.00 0.00 N ATOM 174 CA LYS A 12 4.150 -4.596 -1.789 1.00 0.00 C ATOM 175 C LYS A 12 5.426 -4.258 -2.546 1.00 0.00 C ATOM 176 O LYS A 12 6.254 -5.129 -2.797 1.00 0.00 O ATOM 177 CB LYS A 12 4.278 -4.097 -0.346 1.00 0.00 C ATOM 178 CG LYS A 12 5.539 -4.584 0.358 1.00 0.00 C ATOM 179 CD LYS A 12 5.658 -4.007 1.758 1.00 0.00 C ATOM 180 CE LYS A 12 7.023 -4.294 2.362 1.00 0.00 C ATOM 181 NZ LYS A 12 7.135 -3.791 3.755 1.00 0.00 N ATOM 0 H LYS A 12 4.747 -6.600 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 12 3.306 -4.106 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.269 -3.007 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.406 -4.423 0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.528 -5.673 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.414 -4.303 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.492 -2.930 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.881 -4.430 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.206 -5.368 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.795 -3.832 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.997 -3.216 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.304 -3.209 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.183 -4.596 4.412 1.00 0.00 H new ATOM 195 N PHE A 13 5.585 -2.992 -2.891 1.00 0.00 N ATOM 196 CA PHE A 13 6.815 -2.510 -3.500 1.00 0.00 C ATOM 197 C PHE A 13 7.407 -1.414 -2.622 1.00 0.00 C ATOM 198 O PHE A 13 6.685 -0.533 -2.156 1.00 0.00 O ATOM 199 CB PHE A 13 6.559 -1.976 -4.914 1.00 0.00 C ATOM 200 CG PHE A 13 6.045 -3.009 -5.874 1.00 0.00 C ATOM 201 CD1 PHE A 13 6.918 -3.870 -6.519 1.00 0.00 C ATOM 202 CD2 PHE A 13 4.688 -3.115 -6.133 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.448 -4.818 -7.407 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.211 -4.060 -7.020 1.00 0.00 C ATOM 205 CZ PHE A 13 5.093 -4.915 -7.658 1.00 0.00 C ATOM 0 H PHE A 13 4.873 -2.274 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 13 7.518 -3.339 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.841 -1.158 -4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.486 -1.559 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.978 -3.799 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.996 -2.452 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.139 -5.482 -7.904 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.151 -4.132 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.723 -5.656 -8.351 1.00 0.00 H new ATOM 215 N TYR A 14 8.704 -1.478 -2.373 1.00 0.00 N ATOM 216 CA TYR A 14 9.359 -0.501 -1.517 1.00 0.00 C ATOM 217 C TYR A 14 10.808 -0.291 -1.944 1.00 0.00 C ATOM 218 O TYR A 14 11.503 -1.229 -2.335 1.00 0.00 O ATOM 219 CB TYR A 14 9.277 -0.928 -0.036 1.00 0.00 C ATOM 220 CG TYR A 14 10.050 -2.190 0.308 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.706 -3.418 -0.248 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.124 -2.152 1.192 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.411 -4.565 0.060 1.00 0.00 C ATOM 224 CE2 TYR A 14 11.833 -3.297 1.504 1.00 0.00 C ATOM 225 CZ TYR A 14 11.473 -4.499 0.933 1.00 0.00 C ATOM 226 OH TYR A 14 12.185 -5.639 1.232 1.00 0.00 O ATOM 0 H TYR A 14 9.324 -2.195 -2.750 1.00 0.00 H new ATOM 0 HA TYR A 14 8.835 0.449 -1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.648 -0.112 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.230 -1.077 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.873 -3.475 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.408 -1.212 1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.130 -5.509 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.665 -3.250 2.191 1.00 0.00 H new ATOM 0 HH TYR A 14 11.972 -6.338 0.580 1.00 0.00 H new ATOM 236 N ILE A 15 11.237 0.956 -1.901 1.00 0.00 N ATOM 237 CA ILE A 15 12.614 1.319 -2.183 1.00 0.00 C ATOM 238 C ILE A 15 13.174 2.108 -1.007 1.00 0.00 C ATOM 239 O ILE A 15 12.589 3.109 -0.583 1.00 0.00 O ATOM 240 CB ILE A 15 12.730 2.167 -3.474 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.129 1.412 -4.666 1.00 0.00 C ATOM 242 CG2 ILE A 15 14.185 2.531 -3.749 1.00 0.00 C ATOM 243 CD1 ILE A 15 12.198 2.177 -5.972 1.00 0.00 C ATOM 0 H ILE A 15 10.639 1.749 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 15 13.183 0.402 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 15 12.168 3.090 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.652 0.463 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.087 1.177 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.245 3.127 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.580 3.107 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.771 1.620 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.754 1.579 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.651 3.114 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.239 2.389 -6.215 1.00 0.00 H new ATOM 255 N GLY A 16 14.284 1.644 -0.462 1.00 0.00 N ATOM 256 CA GLY A 16 14.884 2.318 0.665 1.00 0.00 C ATOM 257 C GLY A 16 16.176 1.666 1.093 1.00 0.00 C ATOM 258 O GLY A 16 16.614 0.688 0.488 1.00 0.00 O ATOM 0 H GLY A 16 14.781 0.812 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.072 3.360 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.184 2.319 1.501 1.00 0.00 H new ATOM 262 N ASP A 17 16.783 2.209 2.138 1.00 0.00 N ATOM 263 CA ASP A 17 18.039 1.681 2.659 1.00 0.00 C ATOM 264 C ASP A 17 17.770 0.466 3.537 1.00 0.00 C ATOM 265 O ASP A 17 18.606 -0.426 3.684 1.00 0.00 O ATOM 266 CB ASP A 17 18.760 2.763 3.467 1.00 0.00 C ATOM 267 CG ASP A 17 20.122 2.324 3.964 1.00 0.00 C ATOM 268 OD1 ASP A 17 21.087 2.388 3.176 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.242 1.957 5.152 1.00 0.00 O ATOM 0 H ASP A 17 16.425 3.019 2.645 1.00 0.00 H new ATOM 0 HA ASP A 17 18.672 1.378 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.875 3.654 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.142 3.044 4.320 1.00 0.00 H new ATOM 274 N ASP A 18 16.572 0.436 4.095 1.00 0.00 N ATOM 275 CA ASP A 18 16.158 -0.627 4.991 1.00 0.00 C ATOM 276 C ASP A 18 14.643 -0.756 4.932 1.00 0.00 C ATOM 277 O ASP A 18 13.979 0.100 4.353 1.00 0.00 O ATOM 278 CB ASP A 18 16.616 -0.306 6.420 1.00 0.00 C ATOM 279 CG ASP A 18 16.324 -1.422 7.399 1.00 0.00 C ATOM 280 OD1 ASP A 18 17.137 -2.363 7.493 1.00 0.00 O ATOM 281 OD2 ASP A 18 15.279 -1.363 8.076 1.00 0.00 O ATOM 0 H ASP A 18 15.859 1.149 3.939 1.00 0.00 H new ATOM 0 HA ASP A 18 16.611 -1.571 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.687 -0.105 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.122 0.605 6.758 1.00 0.00 H new ATOM 286 N GLU A 19 14.098 -1.817 5.513 1.00 0.00 N ATOM 287 CA GLU A 19 12.653 -1.990 5.592 1.00 0.00 C ATOM 288 C GLU A 19 12.040 -0.859 6.420 1.00 0.00 C ATOM 289 O GLU A 19 10.982 -0.323 6.090 1.00 0.00 O ATOM 290 CB GLU A 19 12.326 -3.347 6.219 1.00 0.00 C ATOM 291 CG GLU A 19 10.840 -3.642 6.318 1.00 0.00 C ATOM 292 CD GLU A 19 10.179 -3.829 4.971 1.00 0.00 C ATOM 293 OE1 GLU A 19 10.337 -4.911 4.370 1.00 0.00 O ATOM 294 OE2 GLU A 19 9.478 -2.904 4.515 1.00 0.00 O ATOM 0 H GLU A 19 14.636 -2.572 5.937 1.00 0.00 H new ATOM 0 HA GLU A 19 12.231 -1.958 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.803 -4.131 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.761 -3.388 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.694 -4.542 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.348 -2.825 6.847 1.00 0.00 H new ATOM 301 N ASN A 20 12.731 -0.489 7.491 1.00 0.00 N ATOM 302 CA ASN A 20 12.294 0.607 8.351 1.00 0.00 C ATOM 303 C ASN A 20 12.606 1.941 7.684 1.00 0.00 C ATOM 304 O ASN A 20 11.853 2.907 7.797 1.00 0.00 O ATOM 305 CB ASN A 20 12.993 0.525 9.710 1.00 0.00 C ATOM 306 CG ASN A 20 12.514 1.579 10.695 1.00 0.00 C ATOM 307 OD1 ASN A 20 11.349 1.978 10.686 1.00 0.00 O ATOM 308 ND2 ASN A 20 13.410 2.029 11.557 1.00 0.00 N ATOM 0 H ASN A 20 13.600 -0.933 7.787 1.00 0.00 H new ATOM 0 HA ASN A 20 11.218 0.527 8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.827 -0.464 10.137 1.00 0.00 H new ATOM 0 HB3 ASN A 20 14.068 0.634 9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.146 2.732 12.247 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.366 1.673 11.532 1.00 0.00 H new ATOM 315 N ASN A 21 13.712 1.965 6.956 1.00 0.00 N ATOM 316 CA ASN A 21 14.160 3.166 6.257 1.00 0.00 C ATOM 317 C ASN A 21 13.629 3.173 4.828 1.00 0.00 C ATOM 318 O ASN A 21 14.334 3.548 3.885 1.00 0.00 O ATOM 319 CB ASN A 21 15.694 3.241 6.257 1.00 0.00 C ATOM 320 CG ASN A 21 16.265 3.604 7.618 1.00 0.00 C ATOM 321 OD1 ASN A 21 15.664 3.323 8.655 1.00 0.00 O ATOM 322 ND2 ASN A 21 17.445 4.206 7.629 1.00 0.00 N ATOM 0 H ASN A 21 14.324 1.158 6.832 1.00 0.00 H new ATOM 0 HA ASN A 21 13.769 4.040 6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.100 2.280 5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.017 3.980 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.884 4.452 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.915 4.424 6.750 1.00 0.00 H new ATOM 329 N ALA A 22 12.384 2.738 4.679 1.00 0.00 N ATOM 330 CA ALA A 22 11.710 2.748 3.390 1.00 0.00 C ATOM 331 C ALA A 22 11.417 4.178 2.960 1.00 0.00 C ATOM 332 O ALA A 22 10.605 4.870 3.575 1.00 0.00 O ATOM 333 CB ALA A 22 10.426 1.932 3.457 1.00 0.00 C ATOM 0 H ALA A 22 11.818 2.371 5.444 1.00 0.00 H new ATOM 0 HA ALA A 22 12.366 2.293 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.933 1.949 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.663 0.903 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.762 2.360 4.208 1.00 0.00 H new ATOM 339 N LEU A 23 12.092 4.619 1.911 1.00 0.00 N ATOM 340 CA LEU A 23 11.962 5.991 1.441 1.00 0.00 C ATOM 341 C LEU A 23 10.767 6.125 0.510 1.00 0.00 C ATOM 342 O LEU A 23 10.123 7.171 0.453 1.00 0.00 O ATOM 343 CB LEU A 23 13.243 6.429 0.728 1.00 0.00 C ATOM 344 CG LEU A 23 14.517 6.337 1.573 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.729 6.746 0.751 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.397 7.203 2.822 1.00 0.00 C ATOM 0 H LEU A 23 12.737 4.046 1.367 1.00 0.00 H new ATOM 0 HA LEU A 23 11.801 6.639 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.372 5.817 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.121 7.459 0.393 1.00 0.00 H new ATOM 0 HG LEU A 23 14.648 5.302 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.626 6.675 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.825 6.084 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.605 7.773 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.312 7.124 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.241 8.242 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.552 6.863 3.420 1.00 0.00 H new ATOM 358 N ALA A 24 10.480 5.058 -0.220 1.00 0.00 N ATOM 359 CA ALA A 24 9.330 5.023 -1.105 1.00 0.00 C ATOM 360 C ALA A 24 8.655 3.661 -1.031 1.00 0.00 C ATOM 361 O ALA A 24 9.171 2.679 -1.550 1.00 0.00 O ATOM 362 CB ALA A 24 9.747 5.342 -2.536 1.00 0.00 C ATOM 0 H ALA A 24 11.033 4.201 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 24 8.616 5.782 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.872 5.311 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.191 6.337 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.476 4.606 -2.875 1.00 0.00 H new ATOM 368 N GLU A 25 7.518 3.606 -0.364 1.00 0.00 N ATOM 369 CA GLU A 25 6.802 2.353 -0.177 1.00 0.00 C ATOM 370 C GLU A 25 5.378 2.452 -0.717 1.00 0.00 C ATOM 371 O GLU A 25 4.785 3.531 -0.733 1.00 0.00 O ATOM 372 CB GLU A 25 6.800 1.986 1.315 1.00 0.00 C ATOM 373 CG GLU A 25 5.956 0.770 1.662 1.00 0.00 C ATOM 374 CD GLU A 25 4.725 1.128 2.473 1.00 0.00 C ATOM 375 OE1 GLU A 25 3.866 1.873 1.961 1.00 0.00 O ATOM 376 OE2 GLU A 25 4.618 0.672 3.632 1.00 0.00 O ATOM 0 H GLU A 25 7.067 4.417 0.060 1.00 0.00 H new ATOM 0 HA GLU A 25 7.308 1.566 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.826 1.803 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.437 2.840 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.649 0.271 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.563 0.059 2.223 1.00 0.00 H new ATOM 383 N ILE A 26 4.857 1.331 -1.198 1.00 0.00 N ATOM 384 CA ILE A 26 3.466 1.233 -1.608 1.00 0.00 C ATOM 385 C ILE A 26 2.960 -0.197 -1.409 1.00 0.00 C ATOM 386 O ILE A 26 3.483 -1.150 -1.998 1.00 0.00 O ATOM 387 CB ILE A 26 3.262 1.685 -3.079 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.796 1.521 -3.498 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.184 0.925 -4.028 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.504 2.025 -4.896 1.00 0.00 C ATOM 0 H ILE A 26 5.387 0.467 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 26 2.886 1.909 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 26 3.522 2.742 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.525 0.467 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.163 2.054 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.015 1.266 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.222 1.108 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.974 -0.143 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.448 1.876 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.742 3.087 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.111 1.475 -5.615 1.00 0.00 H new ATOM 402 N THR A 27 1.966 -0.354 -0.548 1.00 0.00 N ATOM 403 CA THR A 27 1.413 -1.666 -0.259 1.00 0.00 C ATOM 404 C THR A 27 0.038 -1.832 -0.891 1.00 0.00 C ATOM 405 O THR A 27 -0.772 -0.902 -0.887 1.00 0.00 O ATOM 406 CB THR A 27 1.304 -1.906 1.261 1.00 0.00 C ATOM 407 OG1 THR A 27 0.579 -0.837 1.889 1.00 0.00 O ATOM 408 CG2 THR A 27 2.680 -2.018 1.892 1.00 0.00 C ATOM 0 H THR A 27 1.526 0.412 -0.038 1.00 0.00 H new ATOM 0 HA THR A 27 2.096 -2.401 -0.686 1.00 0.00 H new ATOM 0 HB THR A 27 0.768 -2.843 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.517 -1.005 2.852 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.576 -2.187 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.219 -2.853 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.234 -1.095 1.722 1.00 0.00 H new ATOM 416 N TYR A 28 -0.229 -3.011 -1.438 1.00 0.00 N ATOM 417 CA TYR A 28 -1.535 -3.291 -2.011 1.00 0.00 C ATOM 418 C TYR A 28 -2.058 -4.622 -1.493 1.00 0.00 C ATOM 419 O TYR A 28 -1.307 -5.411 -0.915 1.00 0.00 O ATOM 420 CB TYR A 28 -1.484 -3.291 -3.548 1.00 0.00 C ATOM 421 CG TYR A 28 -0.668 -4.415 -4.159 1.00 0.00 C ATOM 422 CD1 TYR A 28 -1.256 -5.635 -4.477 1.00 0.00 C ATOM 423 CD2 TYR A 28 0.684 -4.249 -4.434 1.00 0.00 C ATOM 424 CE1 TYR A 28 -0.520 -6.658 -5.044 1.00 0.00 C ATOM 425 CE2 TYR A 28 1.427 -5.268 -5.006 1.00 0.00 C ATOM 426 CZ TYR A 28 0.819 -6.471 -5.310 1.00 0.00 C ATOM 427 OH TYR A 28 1.550 -7.489 -5.884 1.00 0.00 O ATOM 0 H TYR A 28 0.437 -3.782 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.218 -2.499 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.503 -3.351 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.073 -2.339 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.307 -5.785 -4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.163 -3.310 -4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.993 -7.601 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.477 -5.123 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 28 2.477 -7.197 -6.007 1.00 0.00 H new ATOM 437 N ARG A 29 -3.342 -4.864 -1.680 1.00 0.00 N ATOM 438 CA ARG A 29 -3.941 -6.115 -1.248 1.00 0.00 C ATOM 439 C ARG A 29 -4.984 -6.576 -2.250 1.00 0.00 C ATOM 440 O ARG A 29 -5.577 -5.762 -2.959 1.00 0.00 O ATOM 441 CB ARG A 29 -4.587 -5.949 0.128 1.00 0.00 C ATOM 442 CG ARG A 29 -4.743 -7.252 0.890 1.00 0.00 C ATOM 443 CD ARG A 29 -3.559 -7.502 1.816 1.00 0.00 C ATOM 444 NE ARG A 29 -2.275 -7.138 1.213 1.00 0.00 N ATOM 445 CZ ARG A 29 -1.096 -7.570 1.657 1.00 0.00 C ATOM 446 NH1 ARG A 29 -1.035 -8.457 2.639 1.00 0.00 N ATOM 447 NH2 ARG A 29 0.025 -7.119 1.111 1.00 0.00 N ATOM 0 H ARG A 29 -3.989 -4.214 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.154 -6.867 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.985 -5.261 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.568 -5.490 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.663 -7.226 1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.836 -8.078 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.697 -6.933 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.538 -8.556 2.094 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.284 -6.516 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.894 -8.813 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.129 -8.784 2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.015 -6.441 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.928 -7.450 1.452 1.00 0.00 H new ATOM 461 N PHE A 30 -5.205 -7.877 -2.300 1.00 0.00 N ATOM 462 CA PHE A 30 -6.213 -8.449 -3.177 1.00 0.00 C ATOM 463 C PHE A 30 -7.551 -8.486 -2.454 1.00 0.00 C ATOM 464 O PHE A 30 -7.794 -9.358 -1.622 1.00 0.00 O ATOM 465 CB PHE A 30 -5.814 -9.858 -3.628 1.00 0.00 C ATOM 466 CG PHE A 30 -4.588 -9.900 -4.498 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.323 -9.984 -3.939 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.702 -9.856 -5.880 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.197 -10.025 -4.740 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.579 -9.897 -6.685 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.325 -9.980 -6.115 1.00 0.00 C ATOM 0 H PHE A 30 -4.697 -8.562 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.297 -7.825 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.642 -10.475 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.647 -10.304 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.215 -10.018 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.680 -9.789 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.217 -10.092 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.683 -9.864 -7.759 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.446 -10.010 -6.742 1.00 0.00 H new ATOM 481 N VAL A 31 -8.407 -7.522 -2.758 1.00 0.00 N ATOM 482 CA VAL A 31 -9.668 -7.385 -2.045 1.00 0.00 C ATOM 483 C VAL A 31 -10.709 -8.389 -2.530 1.00 0.00 C ATOM 484 O VAL A 31 -11.414 -8.989 -1.720 1.00 0.00 O ATOM 485 CB VAL A 31 -10.236 -5.950 -2.134 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.348 -4.985 -1.366 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.382 -5.498 -3.580 1.00 0.00 C ATOM 0 H VAL A 31 -8.253 -6.827 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.447 -7.598 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.229 -5.954 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.759 -3.978 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.303 -5.286 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.344 -4.998 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.784 -4.485 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.407 -5.514 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.060 -6.171 -4.105 1.00 0.00 H new ATOM 497 N ASP A 32 -10.791 -8.595 -3.838 1.00 0.00 N ATOM 498 CA ASP A 32 -11.797 -9.494 -4.386 1.00 0.00 C ATOM 499 C ASP A 32 -11.142 -10.603 -5.209 1.00 0.00 C ATOM 500 O ASP A 32 -10.799 -11.655 -4.671 1.00 0.00 O ATOM 501 CB ASP A 32 -12.818 -8.708 -5.218 1.00 0.00 C ATOM 502 CG ASP A 32 -14.078 -9.500 -5.505 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.058 -10.366 -6.401 1.00 0.00 O ATOM 504 OD2 ASP A 32 -15.102 -9.248 -4.834 1.00 0.00 O ATOM 0 H ASP A 32 -10.182 -8.159 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.329 -9.968 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.083 -7.792 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.359 -8.410 -6.161 1.00 0.00 H new ATOM 509 N ASN A 33 -10.927 -10.363 -6.499 1.00 0.00 N ATOM 510 CA ASN A 33 -10.308 -11.362 -7.361 1.00 0.00 C ATOM 511 C ASN A 33 -9.068 -10.803 -8.039 1.00 0.00 C ATOM 512 O ASN A 33 -7.951 -11.242 -7.766 1.00 0.00 O ATOM 513 CB ASN A 33 -11.299 -11.873 -8.409 1.00 0.00 C ATOM 514 CG ASN A 33 -12.124 -13.046 -7.907 1.00 0.00 C ATOM 515 OD1 ASN A 33 -11.746 -14.205 -8.091 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.246 -12.766 -7.263 1.00 0.00 N ATOM 0 H ASN A 33 -11.171 -9.490 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.009 -12.201 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.966 -11.062 -8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.754 -12.173 -9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.828 -13.521 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.528 -11.795 -7.129 1.00 0.00 H new ATOM 523 N ASN A 34 -9.264 -9.823 -8.908 1.00 0.00 N ATOM 524 CA ASN A 34 -8.157 -9.199 -9.625 1.00 0.00 C ATOM 525 C ASN A 34 -7.998 -7.755 -9.185 1.00 0.00 C ATOM 526 O ASN A 34 -7.076 -7.059 -9.605 1.00 0.00 O ATOM 527 CB ASN A 34 -8.389 -9.253 -11.138 1.00 0.00 C ATOM 528 CG ASN A 34 -8.260 -10.653 -11.704 1.00 0.00 C ATOM 529 OD1 ASN A 34 -7.475 -11.469 -11.217 1.00 0.00 O ATOM 530 ND2 ASN A 34 -9.033 -10.943 -12.736 1.00 0.00 N ATOM 0 H ASN A 34 -10.182 -9.440 -9.136 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.247 -9.751 -9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.383 -8.866 -11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.673 -8.598 -11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.993 -11.870 -13.159 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.670 -10.239 -13.110 1.00 0.00 H new ATOM 537 N GLU A 35 -8.921 -7.307 -8.354 1.00 0.00 N ATOM 538 CA GLU A 35 -8.904 -5.951 -7.846 1.00 0.00 C ATOM 539 C GLU A 35 -7.858 -5.803 -6.749 1.00 0.00 C ATOM 540 O GLU A 35 -7.965 -6.413 -5.680 1.00 0.00 O ATOM 541 CB GLU A 35 -10.290 -5.557 -7.318 1.00 0.00 C ATOM 542 CG GLU A 35 -11.408 -5.704 -8.343 1.00 0.00 C ATOM 543 CD GLU A 35 -12.089 -7.062 -8.309 1.00 0.00 C ATOM 544 OE1 GLU A 35 -11.399 -8.096 -8.445 1.00 0.00 O ATOM 545 OE2 GLU A 35 -13.327 -7.096 -8.177 1.00 0.00 O ATOM 0 H GLU A 35 -9.700 -7.871 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.642 -5.282 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.525 -6.172 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.257 -4.522 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.154 -4.928 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.000 -5.536 -9.340 1.00 0.00 H new ATOM 552 N ILE A 36 -6.843 -5.001 -7.028 1.00 0.00 N ATOM 553 CA ILE A 36 -5.788 -4.737 -6.068 1.00 0.00 C ATOM 554 C ILE A 36 -5.967 -3.354 -5.457 1.00 0.00 C ATOM 555 O ILE A 36 -6.040 -2.350 -6.166 1.00 0.00 O ATOM 556 CB ILE A 36 -4.380 -4.857 -6.698 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.266 -3.989 -7.957 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.068 -6.311 -7.021 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.894 -4.010 -8.598 1.00 0.00 C ATOM 0 H ILE A 36 -6.729 -4.519 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.864 -5.495 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.650 -4.496 -5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.002 -4.327 -8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.520 -2.960 -7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.074 -6.380 -7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.099 -6.902 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.806 -6.694 -7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.896 -3.372 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.154 -3.643 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.643 -5.030 -8.888 1.00 0.00 H new ATOM 571 N ASN A 37 -6.058 -3.316 -4.139 1.00 0.00 N ATOM 572 CA ASN A 37 -6.280 -2.072 -3.417 1.00 0.00 C ATOM 573 C ASN A 37 -4.990 -1.573 -2.793 1.00 0.00 C ATOM 574 O ASN A 37 -4.396 -2.252 -1.956 1.00 0.00 O ATOM 575 CB ASN A 37 -7.328 -2.277 -2.319 1.00 0.00 C ATOM 576 CG ASN A 37 -7.569 -1.025 -1.491 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.516 0.098 -2.000 1.00 0.00 O ATOM 578 ND2 ASN A 37 -7.815 -1.207 -0.200 1.00 0.00 N ATOM 0 H ASN A 37 -5.981 -4.139 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.639 -1.329 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.267 -2.592 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.005 -3.085 -1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.968 -0.403 0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.851 -2.151 0.184 1.00 0.00 H new ATOM 585 N ILE A 38 -4.555 -0.396 -3.212 1.00 0.00 N ATOM 586 CA ILE A 38 -3.412 0.257 -2.595 1.00 0.00 C ATOM 587 C ILE A 38 -3.827 0.832 -1.244 1.00 0.00 C ATOM 588 O ILE A 38 -4.611 1.783 -1.172 1.00 0.00 O ATOM 589 CB ILE A 38 -2.810 1.376 -3.487 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.073 0.782 -4.695 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.860 2.258 -2.685 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.975 0.171 -5.744 1.00 0.00 C ATOM 0 H ILE A 38 -4.977 0.128 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.634 -0.495 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.637 1.987 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.475 1.565 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.379 0.019 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.451 3.034 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.402 2.721 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.047 1.650 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.369 -0.223 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.555 -0.637 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.652 0.933 -6.130 1.00 0.00 H new ATOM 604 N ASP A 39 -3.312 0.237 -0.180 1.00 0.00 N ATOM 605 CA ASP A 39 -3.713 0.611 1.168 1.00 0.00 C ATOM 606 C ASP A 39 -2.870 1.766 1.686 1.00 0.00 C ATOM 607 O ASP A 39 -3.390 2.841 1.985 1.00 0.00 O ATOM 608 CB ASP A 39 -3.603 -0.590 2.113 1.00 0.00 C ATOM 609 CG ASP A 39 -3.956 -0.242 3.546 1.00 0.00 C ATOM 610 OD1 ASP A 39 -5.132 0.083 3.811 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.061 -0.305 4.416 1.00 0.00 O ATOM 0 H ASP A 39 -2.615 -0.507 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.753 0.936 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.263 -1.384 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.587 -0.982 2.079 1.00 0.00 H new ATOM 616 N HIS A 40 -1.568 1.550 1.772 1.00 0.00 N ATOM 617 CA HIS A 40 -0.665 2.553 2.314 1.00 0.00 C ATOM 618 C HIS A 40 0.426 2.874 1.300 1.00 0.00 C ATOM 619 O HIS A 40 0.818 2.019 0.507 1.00 0.00 O ATOM 620 CB HIS A 40 -0.058 2.047 3.631 1.00 0.00 C ATOM 621 CG HIS A 40 0.806 3.046 4.343 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.312 3.951 5.257 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.140 3.272 4.281 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.302 4.691 5.720 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.423 4.299 5.146 1.00 0.00 N ATOM 0 H HIS A 40 -1.112 0.688 1.473 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.220 3.468 2.519 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.867 1.745 4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.534 1.155 3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.850 2.742 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.210 5.484 6.447 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.348 4.694 5.317 1.00 0.00 H new ATOM 634 N THR A 41 0.879 4.116 1.302 1.00 0.00 N ATOM 635 CA THR A 41 1.953 4.534 0.419 1.00 0.00 C ATOM 636 C THR A 41 2.999 5.319 1.202 1.00 0.00 C ATOM 637 O THR A 41 2.909 6.542 1.323 1.00 0.00 O ATOM 638 CB THR A 41 1.407 5.396 -0.734 1.00 0.00 C ATOM 639 OG1 THR A 41 0.256 4.762 -1.309 1.00 0.00 O ATOM 640 CG2 THR A 41 2.460 5.603 -1.811 1.00 0.00 C ATOM 0 H THR A 41 0.518 4.854 1.907 1.00 0.00 H new ATOM 0 HA THR A 41 2.416 3.642 -0.004 1.00 0.00 H new ATOM 0 HB THR A 41 1.132 6.370 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.505 5.379 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.046 6.215 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.326 6.106 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.764 4.637 -2.213 1.00 0.00 H new ATOM 648 N GLY A 42 3.962 4.604 1.765 1.00 0.00 N ATOM 649 CA GLY A 42 4.999 5.235 2.559 1.00 0.00 C ATOM 650 C GLY A 42 6.090 5.864 1.715 1.00 0.00 C ATOM 651 O GLY A 42 7.251 5.470 1.794 1.00 0.00 O ATOM 0 H GLY A 42 4.045 3.590 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.550 6.001 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.443 4.493 3.223 1.00 0.00 H new ATOM 655 N VAL A 43 5.717 6.832 0.895 1.00 0.00 N ATOM 656 CA VAL A 43 6.686 7.580 0.111 1.00 0.00 C ATOM 657 C VAL A 43 7.022 8.882 0.820 1.00 0.00 C ATOM 658 O VAL A 43 6.134 9.682 1.125 1.00 0.00 O ATOM 659 CB VAL A 43 6.170 7.875 -1.315 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.119 8.803 -2.061 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.984 6.585 -2.098 1.00 0.00 C ATOM 0 H VAL A 43 4.748 7.119 0.755 1.00 0.00 H new ATOM 0 HA VAL A 43 7.582 6.967 0.016 1.00 0.00 H new ATOM 0 HB VAL A 43 5.205 8.372 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.730 8.993 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.206 9.745 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.101 8.336 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.620 6.816 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.938 6.063 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.260 5.950 -1.587 1.00 0.00 H new ATOM 671 N SER A 44 8.300 9.077 1.102 1.00 0.00 N ATOM 672 CA SER A 44 8.750 10.272 1.787 1.00 0.00 C ATOM 673 C SER A 44 8.523 11.510 0.936 1.00 0.00 C ATOM 674 O SER A 44 8.793 11.526 -0.267 1.00 0.00 O ATOM 675 CB SER A 44 10.228 10.165 2.153 1.00 0.00 C ATOM 676 OG SER A 44 10.690 11.352 2.778 1.00 0.00 O ATOM 0 H SER A 44 9.043 8.420 0.865 1.00 0.00 H new ATOM 0 HA SER A 44 8.164 10.364 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.379 9.317 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.815 9.972 1.255 1.00 0.00 H new ATOM 0 HG SER A 44 11.639 11.255 3.003 1.00 0.00 H new ATOM 682 N ASP A 45 8.030 12.543 1.582 1.00 0.00 N ATOM 683 CA ASP A 45 7.806 13.828 0.941 1.00 0.00 C ATOM 684 C ASP A 45 8.880 14.796 1.401 1.00 0.00 C ATOM 685 O ASP A 45 8.994 15.914 0.901 1.00 0.00 O ATOM 686 CB ASP A 45 6.415 14.374 1.288 1.00 0.00 C ATOM 687 CG ASP A 45 6.259 14.674 2.766 1.00 0.00 C ATOM 688 OD1 ASP A 45 6.148 13.717 3.564 1.00 0.00 O ATOM 689 OD2 ASP A 45 6.244 15.866 3.139 1.00 0.00 O ATOM 0 H ASP A 45 7.771 12.520 2.568 1.00 0.00 H new ATOM 0 HA ASP A 45 7.856 13.706 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.232 15.283 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.659 13.650 0.986 1.00 0.00 H new ATOM 694 N GLU A 46 9.678 14.333 2.354 1.00 0.00 N ATOM 695 CA GLU A 46 10.748 15.129 2.931 1.00 0.00 C ATOM 696 C GLU A 46 12.036 14.907 2.149 1.00 0.00 C ATOM 697 O GLU A 46 13.035 15.601 2.350 1.00 0.00 O ATOM 698 CB GLU A 46 10.937 14.730 4.391 1.00 0.00 C ATOM 699 CG GLU A 46 9.645 14.774 5.191 1.00 0.00 C ATOM 700 CD GLU A 46 9.744 14.038 6.507 1.00 0.00 C ATOM 701 OE1 GLU A 46 9.795 12.793 6.488 1.00 0.00 O ATOM 702 OE2 GLU A 46 9.754 14.698 7.566 1.00 0.00 O ATOM 0 H GLU A 46 9.600 13.395 2.747 1.00 0.00 H new ATOM 0 HA GLU A 46 10.490 16.187 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.352 13.723 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.666 15.396 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.376 15.813 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.841 14.340 4.597 1.00 0.00 H new ATOM 709 N LEU A 47 11.993 13.915 1.268 1.00 0.00 N ATOM 710 CA LEU A 47 13.111 13.586 0.396 1.00 0.00 C ATOM 711 C LEU A 47 13.425 14.747 -0.540 1.00 0.00 C ATOM 712 O LEU A 47 14.518 15.312 -0.503 1.00 0.00 O ATOM 713 CB LEU A 47 12.773 12.334 -0.422 1.00 0.00 C ATOM 714 CG LEU A 47 13.829 11.910 -1.445 1.00 0.00 C ATOM 715 CD1 LEU A 47 15.078 11.384 -0.751 1.00 0.00 C ATOM 716 CD2 LEU A 47 13.257 10.868 -2.395 1.00 0.00 C ATOM 0 H LEU A 47 11.178 13.315 1.139 1.00 0.00 H new ATOM 0 HA LEU A 47 13.990 13.394 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.606 11.506 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.833 12.507 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 47 14.115 12.786 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.813 11.089 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.498 12.165 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.818 10.521 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.020 10.576 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.941 9.993 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.400 11.288 -2.922 1.00 0.00 H new ATOM 728 N GLY A 48 12.455 15.100 -1.371 1.00 0.00 N ATOM 729 CA GLY A 48 12.638 16.186 -2.314 1.00 0.00 C ATOM 730 C GLY A 48 12.134 15.829 -3.696 1.00 0.00 C ATOM 731 O GLY A 48 11.416 16.607 -4.321 1.00 0.00 O ATOM 0 H GLY A 48 11.540 14.651 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.113 17.071 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.696 16.444 -2.369 1.00 0.00 H new ATOM 735 N GLY A 49 12.497 14.642 -4.164 1.00 0.00 N ATOM 736 CA GLY A 49 12.059 14.192 -5.471 1.00 0.00 C ATOM 737 C GLY A 49 10.905 13.217 -5.381 1.00 0.00 C ATOM 738 O GLY A 49 11.029 12.159 -4.768 1.00 0.00 O ATOM 0 H GLY A 49 13.089 13.981 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.760 15.053 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.893 13.719 -5.989 1.00 0.00 H new ATOM 742 N GLN A 50 9.784 13.570 -5.995 1.00 0.00 N ATOM 743 CA GLN A 50 8.587 12.741 -5.937 1.00 0.00 C ATOM 744 C GLN A 50 8.529 11.784 -7.121 1.00 0.00 C ATOM 745 O GLN A 50 7.548 11.058 -7.293 1.00 0.00 O ATOM 746 CB GLN A 50 7.321 13.607 -5.899 1.00 0.00 C ATOM 747 CG GLN A 50 7.170 14.432 -4.626 1.00 0.00 C ATOM 748 CD GLN A 50 8.159 15.581 -4.544 1.00 0.00 C ATOM 749 OE1 GLN A 50 8.556 16.149 -5.561 1.00 0.00 O ATOM 750 NE2 GLN A 50 8.580 15.917 -3.334 1.00 0.00 N ATOM 0 H GLN A 50 9.678 14.426 -6.540 1.00 0.00 H new ATOM 0 HA GLN A 50 8.635 12.156 -5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.328 14.280 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.449 12.962 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.156 14.828 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.303 13.783 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.227 15.422 -2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.257 16.671 -3.221 1.00 0.00 H new ATOM 759 N GLY A 51 9.586 11.782 -7.930 1.00 0.00 N ATOM 760 CA GLY A 51 9.666 10.876 -9.061 1.00 0.00 C ATOM 761 C GLY A 51 9.537 9.426 -8.643 1.00 0.00 C ATOM 762 O GLY A 51 9.020 8.601 -9.397 1.00 0.00 O ATOM 0 H GLY A 51 10.393 12.396 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.878 11.118 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.617 11.021 -9.574 1.00 0.00 H new ATOM 766 N VAL A 52 9.984 9.128 -7.425 1.00 0.00 N ATOM 767 CA VAL A 52 9.904 7.779 -6.869 1.00 0.00 C ATOM 768 C VAL A 52 8.459 7.293 -6.787 1.00 0.00 C ATOM 769 O VAL A 52 8.197 6.091 -6.861 1.00 0.00 O ATOM 770 CB VAL A 52 10.544 7.704 -5.465 1.00 0.00 C ATOM 771 CG1 VAL A 52 12.050 7.892 -5.548 1.00 0.00 C ATOM 772 CG2 VAL A 52 9.933 8.739 -4.532 1.00 0.00 C ATOM 0 H VAL A 52 10.410 9.811 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 52 10.460 7.131 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 52 10.341 6.713 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.479 7.835 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.481 7.109 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.272 8.866 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.401 8.665 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.097 9.737 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.862 8.557 -4.438 1.00 0.00 H new ATOM 782 N GLY A 53 7.526 8.233 -6.660 1.00 0.00 N ATOM 783 CA GLY A 53 6.125 7.885 -6.586 1.00 0.00 C ATOM 784 C GLY A 53 5.638 7.252 -7.871 1.00 0.00 C ATOM 785 O GLY A 53 4.958 6.231 -7.849 1.00 0.00 O ATOM 0 H GLY A 53 7.721 9.233 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.964 7.196 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.538 8.779 -6.375 1.00 0.00 H new ATOM 789 N LYS A 54 6.015 7.845 -8.998 1.00 0.00 N ATOM 790 CA LYS A 54 5.601 7.334 -10.297 1.00 0.00 C ATOM 791 C LYS A 54 6.455 6.130 -10.695 1.00 0.00 C ATOM 792 O LYS A 54 6.030 5.301 -11.497 1.00 0.00 O ATOM 793 CB LYS A 54 5.681 8.438 -11.361 1.00 0.00 C ATOM 794 CG LYS A 54 5.244 7.991 -12.751 1.00 0.00 C ATOM 795 CD LYS A 54 5.152 9.165 -13.716 1.00 0.00 C ATOM 796 CE LYS A 54 3.928 10.027 -13.440 1.00 0.00 C ATOM 797 NZ LYS A 54 2.666 9.351 -13.848 1.00 0.00 N ATOM 0 H LYS A 54 6.604 8.677 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 54 4.564 7.007 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.059 9.276 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.706 8.804 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.952 7.257 -13.137 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.275 7.496 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.052 9.774 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.111 8.792 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.884 10.265 -12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.022 10.972 -13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.233 9.871 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.875 8.377 -14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.007 9.331 -13.044 1.00 0.00 H new ATOM 811 N LYS A 55 7.653 6.031 -10.120 1.00 0.00 N ATOM 812 CA LYS A 55 8.514 4.872 -10.340 1.00 0.00 C ATOM 813 C LYS A 55 7.814 3.603 -9.868 1.00 0.00 C ATOM 814 O LYS A 55 7.673 2.637 -10.622 1.00 0.00 O ATOM 815 CB LYS A 55 9.844 5.038 -9.595 1.00 0.00 C ATOM 816 CG LYS A 55 10.734 6.136 -10.154 1.00 0.00 C ATOM 817 CD LYS A 55 11.250 5.787 -11.537 1.00 0.00 C ATOM 818 CE LYS A 55 12.092 6.914 -12.112 1.00 0.00 C ATOM 819 NZ LYS A 55 12.713 6.533 -13.405 1.00 0.00 N ATOM 0 H LYS A 55 8.048 6.738 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 55 8.719 4.794 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.637 5.251 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.387 4.093 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.175 7.071 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.576 6.300 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.845 4.875 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.410 5.583 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.469 7.797 -12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.872 7.185 -11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.279 7.327 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.327 5.706 -13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.968 6.299 -14.092 1.00 0.00 H new ATOM 833 N LEU A 56 7.367 3.620 -8.621 1.00 0.00 N ATOM 834 CA LEU A 56 6.645 2.491 -8.050 1.00 0.00 C ATOM 835 C LEU A 56 5.279 2.351 -8.700 1.00 0.00 C ATOM 836 O LEU A 56 4.820 1.242 -8.976 1.00 0.00 O ATOM 837 CB LEU A 56 6.472 2.677 -6.542 1.00 0.00 C ATOM 838 CG LEU A 56 7.767 2.712 -5.731 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.463 3.025 -4.278 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.507 1.387 -5.847 1.00 0.00 C ATOM 0 H LEU A 56 7.492 4.406 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 56 7.225 1.587 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.929 3.606 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.848 1.868 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 56 8.408 3.497 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.392 3.048 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.972 3.996 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.806 2.257 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.426 1.431 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.875 0.583 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.750 1.196 -6.892 1.00 0.00 H new ATOM 852 N LEU A 57 4.641 3.485 -8.951 1.00 0.00 N ATOM 853 CA LEU A 57 3.305 3.506 -9.526 1.00 0.00 C ATOM 854 C LEU A 57 3.293 2.835 -10.895 1.00 0.00 C ATOM 855 O LEU A 57 2.387 2.064 -11.206 1.00 0.00 O ATOM 856 CB LEU A 57 2.808 4.947 -9.641 1.00 0.00 C ATOM 857 CG LEU A 57 1.293 5.106 -9.775 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.592 4.509 -8.562 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.929 6.578 -9.930 1.00 0.00 C ATOM 0 H LEU A 57 5.031 4.409 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 57 2.638 2.950 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.139 5.499 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.283 5.410 -10.506 1.00 0.00 H new ATOM 0 HG LEU A 57 0.961 4.572 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.486 4.629 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.834 3.449 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.926 5.022 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.152 6.677 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.269 7.131 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.410 6.980 -10.822 1.00 0.00 H new ATOM 871 N LYS A 58 4.310 3.117 -11.704 1.00 0.00 N ATOM 872 CA LYS A 58 4.420 2.514 -13.023 1.00 0.00 C ATOM 873 C LYS A 58 4.603 1.010 -12.900 1.00 0.00 C ATOM 874 O LYS A 58 4.013 0.249 -13.656 1.00 0.00 O ATOM 875 CB LYS A 58 5.591 3.110 -13.806 1.00 0.00 C ATOM 876 CG LYS A 58 5.637 2.657 -15.261 1.00 0.00 C ATOM 877 CD LYS A 58 6.885 3.164 -15.968 1.00 0.00 C ATOM 878 CE LYS A 58 8.121 2.375 -15.566 1.00 0.00 C ATOM 879 NZ LYS A 58 8.203 1.061 -16.264 1.00 0.00 N ATOM 0 H LYS A 58 5.067 3.758 -11.468 1.00 0.00 H new ATOM 0 HA LYS A 58 3.498 2.725 -13.565 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.525 4.197 -13.773 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.525 2.833 -13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.611 1.568 -15.304 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.751 3.018 -15.783 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.745 3.095 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.034 4.218 -15.732 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.012 2.960 -15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.111 2.212 -14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.983 0.502 -15.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.308 0.546 -16.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.376 1.217 -17.278 1.00 0.00 H new ATOM 893 N ALA A 59 5.417 0.593 -11.934 1.00 0.00 N ATOM 894 CA ALA A 59 5.673 -0.823 -11.706 1.00 0.00 C ATOM 895 C ALA A 59 4.384 -1.559 -11.358 1.00 0.00 C ATOM 896 O ALA A 59 4.154 -2.683 -11.810 1.00 0.00 O ATOM 897 CB ALA A 59 6.704 -1.000 -10.601 1.00 0.00 C ATOM 0 H ALA A 59 5.911 1.218 -11.297 1.00 0.00 H new ATOM 0 HA ALA A 59 6.069 -1.253 -12.626 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.886 -2.063 -10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.635 -0.512 -10.890 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.331 -0.553 -9.680 1.00 0.00 H new ATOM 903 N VAL A 60 3.541 -0.912 -10.558 1.00 0.00 N ATOM 904 CA VAL A 60 2.252 -1.476 -10.185 1.00 0.00 C ATOM 905 C VAL A 60 1.338 -1.581 -11.403 1.00 0.00 C ATOM 906 O VAL A 60 0.801 -2.649 -11.691 1.00 0.00 O ATOM 907 CB VAL A 60 1.558 -0.633 -9.092 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.194 -1.211 -8.744 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.431 -0.546 -7.849 1.00 0.00 C ATOM 0 H VAL A 60 3.730 0.006 -10.156 1.00 0.00 H new ATOM 0 HA VAL A 60 2.439 -2.473 -9.785 1.00 0.00 H new ATOM 0 HB VAL A 60 1.411 0.373 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.274 -0.600 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.436 -1.218 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.314 -2.230 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.925 0.052 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.612 -1.548 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.382 -0.079 -8.104 1.00 0.00 H new ATOM 919 N VAL A 61 1.186 -0.469 -12.122 1.00 0.00 N ATOM 920 CA VAL A 61 0.338 -0.416 -13.312 1.00 0.00 C ATOM 921 C VAL A 61 0.794 -1.430 -14.360 1.00 0.00 C ATOM 922 O VAL A 61 -0.013 -2.182 -14.909 1.00 0.00 O ATOM 923 CB VAL A 61 0.342 1.000 -13.935 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.440 1.028 -15.240 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.227 2.014 -12.955 1.00 0.00 C ATOM 0 H VAL A 61 1.644 0.415 -11.898 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.675 -0.664 -12.996 1.00 0.00 H new ATOM 0 HB VAL A 61 1.376 1.267 -14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.420 2.036 -15.655 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.011 0.335 -15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.473 0.734 -15.052 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.217 3.005 -13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.252 1.741 -12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.379 2.024 -12.049 1.00 0.00 H new ATOM 935 N GLU A 62 2.096 -1.453 -14.608 1.00 0.00 N ATOM 936 CA GLU A 62 2.687 -2.337 -15.602 1.00 0.00 C ATOM 937 C GLU A 62 2.406 -3.796 -15.250 1.00 0.00 C ATOM 938 O GLU A 62 1.944 -4.572 -16.088 1.00 0.00 O ATOM 939 CB GLU A 62 4.195 -2.085 -15.665 1.00 0.00 C ATOM 940 CG GLU A 62 4.855 -2.580 -16.938 1.00 0.00 C ATOM 941 CD GLU A 62 6.338 -2.278 -16.969 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.726 -1.137 -16.635 1.00 0.00 O ATOM 943 OE2 GLU A 62 7.119 -3.180 -17.341 1.00 0.00 O ATOM 0 H GLU A 62 2.772 -0.860 -14.126 1.00 0.00 H new ATOM 0 HA GLU A 62 2.245 -2.132 -16.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.378 -1.015 -15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.669 -2.569 -14.811 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.703 -3.656 -17.029 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.374 -2.116 -17.799 1.00 0.00 H new ATOM 950 N HIS A 63 2.649 -4.149 -13.993 1.00 0.00 N ATOM 951 CA HIS A 63 2.450 -5.514 -13.525 1.00 0.00 C ATOM 952 C HIS A 63 0.963 -5.864 -13.476 1.00 0.00 C ATOM 953 O HIS A 63 0.576 -7.020 -13.685 1.00 0.00 O ATOM 954 CB HIS A 63 3.094 -5.684 -12.147 1.00 0.00 C ATOM 955 CG HIS A 63 2.999 -7.072 -11.594 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.525 -8.172 -12.234 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.435 -7.533 -10.456 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.290 -9.250 -11.510 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.628 -8.888 -10.425 1.00 0.00 N ATOM 0 H HIS A 63 2.986 -3.505 -13.277 1.00 0.00 H new ATOM 0 HA HIS A 63 2.927 -6.199 -14.226 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.145 -5.402 -12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.621 -4.993 -11.449 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.018 -8.156 -13.127 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.926 -6.942 -9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.588 -10.257 -11.761 1.00 0.00 H new ATOM 968 N ALA A 64 0.133 -4.866 -13.204 1.00 0.00 N ATOM 969 CA ALA A 64 -1.308 -5.059 -13.183 1.00 0.00 C ATOM 970 C ALA A 64 -1.813 -5.407 -14.575 1.00 0.00 C ATOM 971 O ALA A 64 -2.637 -6.305 -14.738 1.00 0.00 O ATOM 972 CB ALA A 64 -2.013 -3.818 -12.658 1.00 0.00 C ATOM 0 H ALA A 64 0.435 -3.914 -12.995 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.533 -5.887 -12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.090 -3.987 -12.652 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.673 -3.608 -11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.782 -2.969 -13.301 1.00 0.00 H new ATOM 978 N ARG A 65 -1.290 -4.710 -15.579 1.00 0.00 N ATOM 979 CA ARG A 65 -1.675 -4.955 -16.964 1.00 0.00 C ATOM 980 C ARG A 65 -1.297 -6.377 -17.382 1.00 0.00 C ATOM 981 O ARG A 65 -2.004 -7.010 -18.168 1.00 0.00 O ATOM 982 CB ARG A 65 -1.012 -3.933 -17.897 1.00 0.00 C ATOM 983 CG ARG A 65 -1.537 -3.980 -19.324 1.00 0.00 C ATOM 984 CD ARG A 65 -2.994 -3.551 -19.391 1.00 0.00 C ATOM 985 NE ARG A 65 -3.590 -3.801 -20.705 1.00 0.00 N ATOM 986 CZ ARG A 65 -4.800 -3.372 -21.069 1.00 0.00 C ATOM 987 NH1 ARG A 65 -5.489 -2.552 -20.285 1.00 0.00 N ATOM 988 NH2 ARG A 65 -5.301 -3.729 -22.241 1.00 0.00 N ATOM 0 H ARG A 65 -0.598 -3.970 -15.459 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.757 -4.845 -17.043 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.167 -2.932 -17.495 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.064 -4.109 -17.909 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.934 -3.329 -19.957 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.435 -4.991 -19.718 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.563 -4.085 -18.630 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.068 -2.489 -19.158 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.047 -4.336 -21.383 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.094 -2.245 -19.396 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.413 -2.229 -20.571 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.762 -4.331 -22.864 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.226 -3.402 -22.521 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.190 -6.878 -16.836 1.00 0.00 N ATOM 1003 CA GLU A 66 0.265 -8.238 -17.115 1.00 0.00 C ATOM 1004 C GLU A 66 -0.780 -9.264 -16.687 1.00 0.00 C ATOM 1005 O GLU A 66 -1.147 -10.155 -17.453 1.00 0.00 O ATOM 1006 CB GLU A 66 1.571 -8.546 -16.375 1.00 0.00 C ATOM 1007 CG GLU A 66 2.721 -7.613 -16.698 1.00 0.00 C ATOM 1008 CD GLU A 66 4.005 -8.047 -16.019 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.192 -7.734 -14.822 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.822 -8.732 -16.672 1.00 0.00 O ATOM 0 H GLU A 66 0.410 -6.359 -16.195 1.00 0.00 H new ATOM 0 HA GLU A 66 0.427 -8.303 -18.191 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.382 -8.508 -15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.873 -9.567 -16.610 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.873 -7.583 -17.777 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.467 -6.601 -16.383 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.261 -9.127 -15.459 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.138 -10.130 -14.864 1.00 0.00 C ATOM 1019 C ASN A 67 -3.604 -9.723 -14.948 1.00 0.00 C ATOM 1020 O ASN A 67 -4.462 -10.341 -14.311 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.734 -10.375 -13.406 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.397 -11.085 -13.287 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.335 -12.312 -13.224 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.685 -10.321 -13.266 1.00 0.00 N ATOM 0 H ASN A 67 -1.059 -8.331 -14.854 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.025 -11.054 -15.432 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.684 -9.421 -12.881 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.503 -10.970 -12.914 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.609 -10.747 -13.196 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.594 -9.307 -13.320 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.881 -8.684 -15.738 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.247 -8.199 -15.956 1.00 0.00 C ATOM 1033 C ASN A 68 -5.884 -7.768 -14.632 1.00 0.00 C ATOM 1034 O ASN A 68 -7.084 -7.949 -14.402 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.096 -9.283 -16.642 1.00 0.00 C ATOM 1036 CG ASN A 68 -7.430 -8.756 -17.136 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -7.560 -7.580 -17.476 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -8.430 -9.619 -17.178 1.00 0.00 N ATOM 0 H ASN A 68 -3.169 -8.156 -16.243 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.205 -7.329 -16.611 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.539 -9.697 -17.483 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.270 -10.100 -15.942 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.350 -9.319 -17.501 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.282 -10.586 -16.888 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.072 -7.171 -13.773 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.520 -6.741 -12.459 1.00 0.00 C ATOM 1047 C LEU A 69 -6.179 -5.370 -12.541 1.00 0.00 C ATOM 1048 O LEU A 69 -5.843 -4.560 -13.406 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.338 -6.694 -11.486 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.581 -8.013 -11.311 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.382 -7.822 -10.397 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.501 -9.090 -10.758 1.00 0.00 C ATOM 0 H LEU A 69 -4.090 -6.972 -13.966 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.253 -7.460 -12.094 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.636 -5.934 -11.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.704 -6.372 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.224 -8.334 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.856 -8.770 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.708 -7.083 -10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.720 -7.476 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.944 -10.020 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.889 -8.775 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.331 -9.249 -11.447 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.118 -5.121 -11.641 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.812 -3.844 -11.590 1.00 0.00 C ATOM 1066 C LYS A 70 -7.313 -3.038 -10.402 1.00 0.00 C ATOM 1067 O LYS A 70 -7.359 -3.504 -9.265 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.332 -4.036 -11.505 1.00 0.00 C ATOM 1069 CG LYS A 70 -9.993 -4.386 -12.836 1.00 0.00 C ATOM 1070 CD LYS A 70 -9.576 -5.757 -13.347 1.00 0.00 C ATOM 1071 CE LYS A 70 -10.119 -6.016 -14.745 1.00 0.00 C ATOM 1072 NZ LYS A 70 -9.729 -7.356 -15.255 1.00 0.00 N ATOM 0 H LYS A 70 -7.418 -5.791 -10.933 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.599 -3.301 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.548 -4.826 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.782 -3.122 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.076 -4.359 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.733 -3.630 -13.577 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.488 -5.828 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.938 -6.527 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.206 -5.935 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.750 -5.248 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.746 -7.350 -16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.770 -7.587 -14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.397 -8.070 -14.902 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.835 -1.838 -10.672 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.194 -1.027 -9.651 1.00 0.00 C ATOM 1088 C ILE A 71 -7.182 -0.093 -8.965 1.00 0.00 C ATOM 1089 O ILE A 71 -7.827 0.737 -9.612 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.039 -0.188 -10.240 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.013 -1.098 -10.918 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.376 0.643 -9.148 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.848 -0.350 -11.529 1.00 0.00 C ATOM 0 H ILE A 71 -6.878 -1.401 -11.593 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.796 -1.724 -8.913 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.448 0.490 -10.989 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.632 -1.811 -10.186 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.511 -1.676 -11.696 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.564 1.229 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.112 1.314 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.978 -0.018 -8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.162 -1.060 -11.991 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.217 0.343 -12.285 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.325 0.206 -10.751 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.298 -0.251 -7.655 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.047 0.675 -6.817 1.00 0.00 C ATOM 1107 C ILE A 72 -7.168 1.106 -5.650 1.00 0.00 C ATOM 1108 O ILE A 72 -6.238 0.392 -5.276 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.366 0.063 -6.283 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.094 -1.253 -5.554 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.353 -0.146 -7.421 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.323 -1.864 -4.917 1.00 0.00 C ATOM 0 H ILE A 72 -6.876 -1.025 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.322 1.533 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.806 0.761 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.669 -1.967 -6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.343 -1.082 -4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.274 -0.577 -7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.572 0.812 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.921 -0.823 -8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.050 -2.795 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.737 -1.170 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.068 -2.069 -5.686 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.434 2.265 -5.078 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.569 2.783 -4.032 1.00 0.00 C ATOM 1126 C ALA A 73 -7.362 3.440 -2.916 1.00 0.00 C ATOM 1127 O ALA A 73 -8.192 4.316 -3.162 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.564 3.767 -4.617 1.00 0.00 C ATOM 0 H ALA A 73 -8.229 2.859 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.033 1.938 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.922 4.147 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.954 3.262 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.096 4.597 -5.082 1.00 0.00 H new ATOM 1134 N SER A 74 -7.111 3.000 -1.690 1.00 0.00 N ATOM 1135 CA SER A 74 -7.688 3.636 -0.518 1.00 0.00 C ATOM 1136 C SER A 74 -6.826 4.830 -0.118 1.00 0.00 C ATOM 1137 O SER A 74 -7.299 5.785 0.500 1.00 0.00 O ATOM 1138 CB SER A 74 -7.789 2.635 0.635 1.00 0.00 C ATOM 1139 OG SER A 74 -8.521 1.484 0.244 1.00 0.00 O ATOM 0 H SER A 74 -6.509 2.203 -1.483 1.00 0.00 H new ATOM 0 HA SER A 74 -8.694 3.983 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.789 2.343 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.274 3.106 1.490 1.00 0.00 H new ATOM 0 HG SER A 74 -8.186 1.160 -0.618 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.555 4.762 -0.490 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.626 5.858 -0.277 1.00 0.00 C ATOM 1147 C CYS A 75 -4.865 6.952 -1.311 1.00 0.00 C ATOM 1148 O CYS A 75 -4.541 6.782 -2.487 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.185 5.341 -0.367 1.00 0.00 C ATOM 1150 SG CYS A 75 -1.921 6.629 -0.280 1.00 0.00 S ATOM 0 H CYS A 75 -5.142 3.948 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.787 6.278 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.017 4.629 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.066 4.795 -1.303 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.926 6.212 0.445 1.00 0.00 H new ATOM 1156 N SER A 76 -5.439 8.065 -0.868 1.00 0.00 N ATOM 1157 CA SER A 76 -5.791 9.161 -1.761 1.00 0.00 C ATOM 1158 C SER A 76 -4.555 9.755 -2.441 1.00 0.00 C ATOM 1159 O SER A 76 -4.640 10.271 -3.557 1.00 0.00 O ATOM 1160 CB SER A 76 -6.542 10.237 -0.981 1.00 0.00 C ATOM 1161 OG SER A 76 -7.640 9.673 -0.279 1.00 0.00 O ATOM 0 H SER A 76 -5.671 8.232 0.111 1.00 0.00 H new ATOM 0 HA SER A 76 -6.435 8.767 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.865 10.723 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.898 11.007 -1.665 1.00 0.00 H new ATOM 0 HG SER A 76 -8.108 10.377 0.216 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.410 9.665 -1.768 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.149 10.143 -2.324 1.00 0.00 C ATOM 1169 C PHE A 77 -1.827 9.403 -3.620 1.00 0.00 C ATOM 1170 O PHE A 77 -1.599 10.021 -4.660 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.018 9.956 -1.307 1.00 0.00 C ATOM 1172 CG PHE A 77 0.326 10.428 -1.794 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.609 11.782 -1.884 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.307 9.518 -2.156 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.842 12.219 -2.325 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.543 9.949 -2.598 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.811 11.301 -2.683 1.00 0.00 C ATOM 0 H PHE A 77 -3.331 9.264 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.245 11.206 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.272 10.494 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.948 8.900 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.144 12.504 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.103 8.459 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.049 13.277 -2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.299 9.229 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.776 11.640 -3.029 1.00 0.00 H new ATOM 1187 N ALA A 78 -1.839 8.077 -3.555 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.570 7.255 -4.726 1.00 0.00 C ATOM 1189 C ALA A 78 -2.743 7.301 -5.695 1.00 0.00 C ATOM 1190 O ALA A 78 -2.555 7.301 -6.913 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.276 5.820 -4.316 1.00 0.00 C ATOM 0 H ALA A 78 -2.032 7.549 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.691 7.657 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.077 5.221 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.404 5.800 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.136 5.409 -3.786 1.00 0.00 H new ATOM 1197 N LYS A 79 -3.951 7.355 -5.143 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.166 7.403 -5.946 1.00 0.00 C ATOM 1199 C LYS A 79 -5.152 8.595 -6.895 1.00 0.00 C ATOM 1200 O LYS A 79 -5.394 8.442 -8.087 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.407 7.467 -5.047 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.713 7.602 -5.813 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.915 7.567 -4.885 1.00 0.00 C ATOM 1204 CE LYS A 79 -10.221 7.742 -5.647 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.383 9.118 -6.190 1.00 0.00 N ATOM 0 H LYS A 79 -4.114 7.367 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.205 6.490 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.447 6.566 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.307 8.312 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.712 8.538 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.792 6.795 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.932 6.619 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.821 8.355 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.259 7.024 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.057 7.515 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.341 9.227 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.239 9.811 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.682 9.279 -6.941 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.834 9.775 -6.375 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.892 10.988 -7.181 1.00 0.00 C ATOM 1221 C HIS A 80 -3.753 11.031 -8.199 1.00 0.00 C ATOM 1222 O HIS A 80 -3.855 11.708 -9.220 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.881 12.242 -6.299 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.262 13.490 -7.038 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -6.570 13.895 -7.210 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -4.498 14.414 -7.673 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -6.593 15.010 -7.920 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -5.352 15.343 -8.211 1.00 0.00 N ATOM 0 H HIS A 80 -4.537 9.917 -5.410 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.833 10.972 -7.730 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.568 12.098 -5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.886 12.370 -5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.420 14.417 -7.742 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.478 15.555 -8.212 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.071 16.162 -8.751 1.00 0.00 H new ATOM 1237 N MET A 81 -2.674 10.302 -7.933 1.00 0.00 N ATOM 1238 CA MET A 81 -1.579 10.204 -8.895 1.00 0.00 C ATOM 1239 C MET A 81 -2.004 9.349 -10.083 1.00 0.00 C ATOM 1240 O MET A 81 -1.671 9.646 -11.230 1.00 0.00 O ATOM 1241 CB MET A 81 -0.317 9.623 -8.253 1.00 0.00 C ATOM 1242 CG MET A 81 0.351 10.555 -7.256 1.00 0.00 C ATOM 1243 SD MET A 81 1.994 9.990 -6.770 1.00 0.00 S ATOM 1244 CE MET A 81 1.613 8.390 -6.064 1.00 0.00 C ATOM 0 H MET A 81 -2.533 9.776 -7.071 1.00 0.00 H new ATOM 0 HA MET A 81 -1.344 11.211 -9.239 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.574 8.691 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.397 9.375 -9.038 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.428 11.552 -7.691 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.276 10.642 -6.369 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.539 7.865 -5.832 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.033 8.524 -5.151 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.034 7.805 -6.779 1.00 0.00 H new ATOM 1254 N LEU A 82 -2.750 8.290 -9.794 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.326 7.437 -10.828 1.00 0.00 C ATOM 1256 C LEU A 82 -4.462 8.163 -11.537 1.00 0.00 C ATOM 1257 O LEU A 82 -4.688 7.982 -12.729 1.00 0.00 O ATOM 1258 CB LEU A 82 -3.859 6.147 -10.200 1.00 0.00 C ATOM 1259 CG LEU A 82 -2.800 5.167 -9.705 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.413 4.169 -8.738 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.168 4.439 -10.878 1.00 0.00 C ATOM 0 H LEU A 82 -2.972 7.999 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.550 7.194 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.503 6.412 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.484 5.638 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.026 5.728 -9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.645 3.477 -8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.832 4.700 -7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.203 3.613 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.414 3.743 -10.511 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.936 3.889 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.699 5.162 -11.545 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.164 8.988 -10.776 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.331 9.707 -11.262 1.00 0.00 C ATOM 1275 C GLU A 83 -5.929 10.859 -12.183 1.00 0.00 C ATOM 1276 O GLU A 83 -6.668 11.230 -13.096 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.110 10.241 -10.062 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.549 10.610 -10.356 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.226 11.223 -9.150 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -9.221 10.588 -8.071 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -9.739 12.353 -9.261 1.00 0.00 O ATOM 0 H GLU A 83 -4.939 9.178 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.953 9.025 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.096 9.489 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.596 11.120 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.582 11.313 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.096 9.721 -10.668 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.757 11.426 -11.934 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.270 12.542 -12.731 1.00 0.00 C ATOM 1290 C LYS A 84 -3.660 12.051 -14.042 1.00 0.00 C ATOM 1291 O LYS A 84 -3.660 12.769 -15.044 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.236 13.353 -11.936 1.00 0.00 C ATOM 1293 CG LYS A 84 -2.628 14.502 -12.723 1.00 0.00 C ATOM 1294 CD LYS A 84 -3.684 15.503 -13.163 1.00 0.00 C ATOM 1295 CE LYS A 84 -3.164 16.401 -14.271 1.00 0.00 C ATOM 1296 NZ LYS A 84 -2.802 15.623 -15.487 1.00 0.00 N ATOM 0 H LYS A 84 -4.127 11.132 -11.188 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.117 13.185 -12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.710 13.749 -11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.438 12.686 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.881 15.007 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.111 14.110 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.571 14.971 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.989 16.111 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.923 17.141 -14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.291 16.948 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.768 15.609 -15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.153 14.649 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.232 16.067 -16.324 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.142 10.831 -14.036 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.513 10.278 -15.221 1.00 0.00 C ATOM 1312 C GLU A 85 -3.540 9.531 -16.061 1.00 0.00 C ATOM 1313 O GLU A 85 -3.968 8.428 -15.715 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.370 9.345 -14.836 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.504 8.934 -16.014 1.00 0.00 C ATOM 1316 CD GLU A 85 0.367 10.064 -16.519 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -0.131 10.914 -17.285 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.559 10.100 -16.143 1.00 0.00 O ATOM 0 H GLU A 85 -3.146 10.210 -13.227 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.105 11.099 -15.810 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.746 9.836 -14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.782 8.451 -14.368 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.128 8.096 -15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.143 8.583 -16.824 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.925 10.141 -17.170 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.947 9.589 -18.049 1.00 0.00 C ATOM 1327 C ASP A 86 -4.535 8.227 -18.588 1.00 0.00 C ATOM 1328 O ASP A 86 -5.380 7.374 -18.863 1.00 0.00 O ATOM 1329 CB ASP A 86 -5.211 10.542 -19.217 1.00 0.00 C ATOM 1330 CG ASP A 86 -5.558 11.944 -18.760 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -4.624 12.716 -18.447 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -6.759 12.288 -18.723 1.00 0.00 O ATOM 0 H ASP A 86 -3.540 11.031 -17.487 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.858 9.468 -17.463 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.329 10.580 -19.856 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.027 10.149 -19.824 1.00 0.00 H new ATOM 1337 N SER A 87 -3.232 8.020 -18.704 1.00 0.00 N ATOM 1338 CA SER A 87 -2.689 6.818 -19.316 1.00 0.00 C ATOM 1339 C SER A 87 -2.794 5.592 -18.401 1.00 0.00 C ATOM 1340 O SER A 87 -2.374 4.499 -18.780 1.00 0.00 O ATOM 1341 CB SER A 87 -1.230 7.059 -19.687 1.00 0.00 C ATOM 1342 OG SER A 87 -1.087 8.269 -20.412 1.00 0.00 O ATOM 0 H SER A 87 -2.524 8.678 -18.378 1.00 0.00 H new ATOM 0 HA SER A 87 -3.281 6.605 -20.206 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.622 7.098 -18.783 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.860 6.226 -20.285 1.00 0.00 H new ATOM 0 HG SER A 87 -0.143 8.405 -20.638 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.335 5.762 -17.199 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.465 4.640 -16.271 1.00 0.00 C ATOM 1350 C TYR A 88 -4.910 4.156 -16.185 1.00 0.00 C ATOM 1351 O TYR A 88 -5.198 3.157 -15.523 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.968 5.018 -14.870 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.501 5.411 -14.794 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.595 5.039 -15.783 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.027 6.158 -13.724 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.737 5.411 -15.708 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.302 6.528 -13.640 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.179 6.154 -14.632 1.00 0.00 C ATOM 1359 OH TYR A 88 2.499 6.541 -14.555 1.00 0.00 O ATOM 0 H TYR A 88 -3.687 6.652 -16.846 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.846 3.832 -16.660 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.571 5.847 -14.498 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.138 4.175 -14.201 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.936 4.451 -16.622 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.710 6.456 -12.942 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.426 5.121 -16.487 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.651 7.109 -12.799 1.00 0.00 H new ATOM 0 HH TYR A 88 2.860 6.654 -15.459 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.815 4.839 -16.880 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.248 4.556 -16.764 1.00 0.00 C ATOM 1371 C GLN A 89 -7.687 3.367 -17.620 1.00 0.00 C ATOM 1372 O GLN A 89 -8.838 3.304 -18.056 1.00 0.00 O ATOM 1373 CB GLN A 89 -8.073 5.793 -17.131 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.086 6.859 -16.049 1.00 0.00 C ATOM 1375 CD GLN A 89 -9.021 8.006 -16.376 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -10.208 7.971 -16.052 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -8.492 9.032 -17.017 1.00 0.00 N ATOM 0 H GLN A 89 -5.585 5.592 -17.529 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.429 4.291 -15.722 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.676 6.225 -18.050 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.098 5.487 -17.340 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.386 6.408 -15.103 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.076 7.245 -15.912 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.503 9.022 -17.268 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.072 9.835 -17.262 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.780 2.431 -17.865 1.00 0.00 N ATOM 1387 CA ASP A 90 -7.149 1.174 -18.510 1.00 0.00 C ATOM 1388 C ASP A 90 -7.086 0.030 -17.504 1.00 0.00 C ATOM 1389 O ASP A 90 -7.713 -1.012 -17.693 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.254 0.873 -19.718 1.00 0.00 C ATOM 1391 CG ASP A 90 -4.785 0.757 -19.360 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -4.325 -0.362 -19.055 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -4.081 1.786 -19.413 1.00 0.00 O ATOM 0 H ASP A 90 -5.791 2.515 -17.630 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.171 1.274 -18.875 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.582 -0.057 -20.182 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.379 1.662 -20.460 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.334 0.238 -16.429 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.259 -0.732 -15.341 1.00 0.00 C ATOM 1400 C VAL A 91 -6.725 -0.105 -14.032 1.00 0.00 C ATOM 1401 O VAL A 91 -7.316 -0.775 -13.185 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.834 -1.303 -15.162 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.493 -2.252 -16.297 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -3.806 -0.186 -15.082 1.00 0.00 C ATOM 0 H VAL A 91 -5.765 1.073 -16.287 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.919 -1.557 -15.609 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.810 -1.857 -14.224 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.486 -2.644 -16.154 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.205 -3.077 -16.308 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.543 -1.717 -17.246 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.812 -0.615 -14.956 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.834 0.401 -16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.034 0.458 -14.232 1.00 0.00 H new ATOM 1414 N TYR A 92 -6.461 1.185 -13.872 1.00 0.00 N ATOM 1415 CA TYR A 92 -6.912 1.913 -12.697 1.00 0.00 C ATOM 1416 C TYR A 92 -8.376 2.300 -12.855 1.00 0.00 C ATOM 1417 O TYR A 92 -8.764 2.907 -13.857 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.044 3.156 -12.473 1.00 0.00 C ATOM 1419 CG TYR A 92 -6.632 4.152 -11.496 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -6.809 3.836 -10.155 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -7.015 5.415 -11.927 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -7.352 4.754 -9.272 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -7.556 6.336 -11.052 1.00 0.00 C ATOM 1424 CZ TYR A 92 -7.722 6.002 -9.726 1.00 0.00 C ATOM 1425 OH TYR A 92 -8.265 6.917 -8.849 1.00 0.00 O ATOM 0 H TYR A 92 -5.937 1.748 -14.542 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.815 1.269 -11.823 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.065 2.842 -12.110 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.885 3.653 -13.430 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.519 2.860 -9.796 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.887 5.682 -12.966 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.485 4.494 -8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.848 7.314 -11.406 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.470 7.747 -9.328 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.187 1.957 -11.866 1.00 0.00 N ATOM 1436 CA LEU A 93 -10.617 2.210 -11.934 1.00 0.00 C ATOM 1437 C LEU A 93 -10.947 3.643 -11.523 1.00 0.00 C ATOM 1438 O LEU A 93 -11.567 3.881 -10.487 1.00 0.00 O ATOM 1439 CB LEU A 93 -11.388 1.208 -11.068 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.241 -0.261 -11.483 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.055 -1.159 -10.563 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -11.664 -0.457 -12.933 1.00 0.00 C ATOM 0 H LEU A 93 -8.879 1.502 -11.007 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.928 2.080 -12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.055 1.312 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.446 1.471 -11.090 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.190 -0.537 -11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.939 -2.198 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.703 -1.044 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.107 -0.879 -10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.552 -1.506 -13.206 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.706 -0.161 -13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.037 0.156 -13.581 1.00 0.00 H new ATOM 1454 N GLY A 94 -10.506 4.592 -12.338 1.00 0.00 N ATOM 1455 CA GLY A 94 -10.862 5.984 -12.136 1.00 0.00 C ATOM 1456 C GLY A 94 -11.992 6.383 -13.055 1.00 0.00 C ATOM 1457 O GLY A 94 -12.451 7.524 -13.058 1.00 0.00 O ATOM 0 H GLY A 94 -9.903 4.421 -13.142 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.157 6.143 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.994 6.617 -12.321 1.00 0.00 H new ATOM 1461 N LEU A 95 -12.445 5.409 -13.825 1.00 0.00 N ATOM 1462 CA LEU A 95 -13.515 5.597 -14.792 1.00 0.00 C ATOM 1463 C LEU A 95 -14.871 5.293 -14.166 1.00 0.00 C ATOM 1464 O LEU A 95 -15.798 4.857 -14.848 1.00 0.00 O ATOM 1465 CB LEU A 95 -13.255 4.696 -16.009 1.00 0.00 C ATOM 1466 CG LEU A 95 -12.756 3.272 -15.697 1.00 0.00 C ATOM 1467 CD1 LEU A 95 -13.870 2.392 -15.144 1.00 0.00 C ATOM 1468 CD2 LEU A 95 -12.150 2.637 -16.937 1.00 0.00 C ATOM 0 H LEU A 95 -12.078 4.458 -13.797 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.532 6.638 -15.114 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -14.178 4.619 -16.584 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.521 5.185 -16.649 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.987 3.356 -14.929 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.478 1.396 -14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -14.256 2.829 -14.223 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -14.674 2.320 -15.876 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.803 1.632 -16.698 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -12.903 2.584 -17.723 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.309 3.239 -17.280 1.00 0.00 H new ATOM 1480 N GLU A 96 -14.983 5.569 -12.872 1.00 0.00 N ATOM 1481 CA GLU A 96 -16.154 5.191 -12.091 1.00 0.00 C ATOM 1482 C GLU A 96 -17.462 5.725 -12.691 1.00 0.00 C ATOM 1483 O GLU A 96 -18.428 4.971 -12.802 1.00 0.00 O ATOM 1484 CB GLU A 96 -15.977 5.615 -10.624 1.00 0.00 C ATOM 1485 CG GLU A 96 -15.226 6.926 -10.421 1.00 0.00 C ATOM 1486 CD GLU A 96 -16.031 8.130 -10.840 1.00 0.00 C ATOM 1487 OE1 GLU A 96 -16.998 8.475 -10.134 1.00 0.00 O ATOM 1488 OE2 GLU A 96 -15.731 8.724 -11.894 1.00 0.00 O ATOM 0 H GLU A 96 -14.267 6.060 -12.336 1.00 0.00 H new ATOM 0 HA GLU A 96 -16.236 4.105 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.962 5.702 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.447 4.824 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.953 7.024 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.297 6.899 -10.990 1.00 0.00 H new ATOM 1495 N HIS A 97 -17.492 7.016 -13.062 1.00 0.00 N ATOM 1496 CA HIS A 97 -18.629 7.595 -13.796 1.00 0.00 C ATOM 1497 C HIS A 97 -18.489 9.108 -13.981 1.00 0.00 C ATOM 1498 O HIS A 97 -18.849 9.634 -15.033 1.00 0.00 O ATOM 1499 CB HIS A 97 -19.990 7.283 -13.134 1.00 0.00 C ATOM 1500 CG HIS A 97 -20.203 7.883 -11.771 1.00 0.00 C ATOM 1501 ND1 HIS A 97 -20.910 9.047 -11.557 1.00 0.00 N ATOM 1502 CD2 HIS A 97 -19.824 7.451 -10.547 1.00 0.00 C ATOM 1503 CE1 HIS A 97 -20.955 9.302 -10.262 1.00 0.00 C ATOM 1504 NE2 HIS A 97 -20.304 8.347 -9.623 1.00 0.00 N ATOM 0 H HIS A 97 -16.742 7.678 -12.865 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.609 7.117 -14.776 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -20.784 7.634 -13.794 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -20.096 6.201 -13.056 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.248 6.562 -10.334 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.442 10.149 -9.803 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -20.179 8.285 -8.613 1.00 0.00 H new ATOM 1513 N HIS A 98 -17.958 9.817 -12.987 1.00 0.00 N ATOM 1514 CA HIS A 98 -17.965 11.277 -13.050 1.00 0.00 C ATOM 1515 C HIS A 98 -16.639 11.827 -13.575 1.00 0.00 C ATOM 1516 O HIS A 98 -16.628 12.848 -14.258 1.00 0.00 O ATOM 1517 CB HIS A 98 -18.348 11.907 -11.692 1.00 0.00 C ATOM 1518 CG HIS A 98 -17.242 12.056 -10.676 1.00 0.00 C ATOM 1519 ND1 HIS A 98 -16.706 11.007 -9.968 1.00 0.00 N ATOM 1520 CD2 HIS A 98 -16.607 13.163 -10.224 1.00 0.00 C ATOM 1521 CE1 HIS A 98 -15.798 11.459 -9.124 1.00 0.00 C ATOM 1522 NE2 HIS A 98 -15.717 12.767 -9.257 1.00 0.00 N ATOM 0 H HIS A 98 -17.529 9.419 -12.151 1.00 0.00 H new ATOM 0 HA HIS A 98 -18.737 11.563 -13.765 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -18.770 12.894 -11.882 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -19.139 11.302 -11.248 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -16.970 10.028 -10.078 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -16.771 14.175 -10.563 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.219 10.858 -8.439 1.00 0.00 H new ATOM 1531 N HIS A 99 -15.535 11.132 -13.278 1.00 0.00 N ATOM 1532 CA HIS A 99 -14.193 11.545 -13.732 1.00 0.00 C ATOM 1533 C HIS A 99 -13.905 12.994 -13.319 1.00 0.00 C ATOM 1534 O HIS A 99 -14.550 13.519 -12.413 1.00 0.00 O ATOM 1535 CB HIS A 99 -14.065 11.438 -15.262 1.00 0.00 C ATOM 1536 CG HIS A 99 -14.677 10.213 -15.872 1.00 0.00 C ATOM 1537 ND1 HIS A 99 -15.763 10.273 -16.712 1.00 0.00 N ATOM 1538 CD2 HIS A 99 -14.348 8.901 -15.782 1.00 0.00 C ATOM 1539 CE1 HIS A 99 -16.083 9.061 -17.112 1.00 0.00 C ATOM 1540 NE2 HIS A 99 -15.239 8.203 -16.565 1.00 0.00 N ATOM 0 H HIS A 99 -15.540 10.276 -12.723 1.00 0.00 H new ATOM 0 HA HIS A 99 -13.474 10.874 -13.262 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -14.527 12.317 -15.711 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -13.007 11.465 -15.524 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.538 8.482 -15.204 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -16.898 8.810 -17.775 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -15.247 7.192 -16.701 1.00 0.00 H new ATOM 1549 N HIS A 100 -12.923 13.619 -13.982 1.00 0.00 N ATOM 1550 CA HIS A 100 -12.663 15.061 -13.853 1.00 0.00 C ATOM 1551 C HIS A 100 -12.285 15.448 -12.419 1.00 0.00 C ATOM 1552 O HIS A 100 -11.105 15.527 -12.077 1.00 0.00 O ATOM 1553 CB HIS A 100 -13.898 15.851 -14.333 1.00 0.00 C ATOM 1554 CG HIS A 100 -13.757 17.349 -14.315 1.00 0.00 C ATOM 1555 ND1 HIS A 100 -13.384 18.086 -15.415 1.00 0.00 N ATOM 1556 CD2 HIS A 100 -13.983 18.248 -13.328 1.00 0.00 C ATOM 1557 CE1 HIS A 100 -13.384 19.369 -15.105 1.00 0.00 C ATOM 1558 NE2 HIS A 100 -13.748 19.498 -13.843 1.00 0.00 N ATOM 0 H HIS A 100 -12.287 13.142 -14.621 1.00 0.00 H new ATOM 0 HA HIS A 100 -11.808 15.313 -14.481 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -14.135 15.538 -15.350 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -14.748 15.576 -13.709 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -14.292 18.022 -12.318 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.129 20.178 -15.773 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -13.839 20.378 -13.336 1.00 0.00 H new ATOM 1567 N HIS A 101 -13.299 15.659 -11.593 1.00 0.00 N ATOM 1568 CA HIS A 101 -13.132 16.101 -10.214 1.00 0.00 C ATOM 1569 C HIS A 101 -14.520 16.282 -9.628 1.00 0.00 C ATOM 1570 O HIS A 101 -14.830 15.800 -8.542 1.00 0.00 O ATOM 1571 CB HIS A 101 -12.346 17.420 -10.154 1.00 0.00 C ATOM 1572 CG HIS A 101 -11.776 17.736 -8.805 1.00 0.00 C ATOM 1573 ND1 HIS A 101 -12.103 18.870 -8.097 1.00 0.00 N ATOM 1574 CD2 HIS A 101 -10.865 17.075 -8.054 1.00 0.00 C ATOM 1575 CE1 HIS A 101 -11.416 18.894 -6.970 1.00 0.00 C ATOM 1576 NE2 HIS A 101 -10.655 17.815 -6.918 1.00 0.00 N ATOM 0 H HIS A 101 -14.273 15.527 -11.864 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.566 15.364 -9.645 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.533 17.378 -10.879 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.003 18.235 -10.458 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.390 16.137 -8.303 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -11.467 19.666 -6.217 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -10.018 17.573 -6.160 1.00 0.00 H new ATOM 1585 N HIS A 102 -15.349 16.977 -10.391 1.00 0.00 N ATOM 1586 CA HIS A 102 -16.773 17.065 -10.135 1.00 0.00 C ATOM 1587 C HIS A 102 -17.504 16.287 -11.214 1.00 0.00 C ATOM 1588 O HIS A 102 -18.335 15.430 -10.875 1.00 0.00 O ATOM 1589 CB HIS A 102 -17.250 18.522 -10.136 1.00 0.00 C ATOM 1590 CG HIS A 102 -18.743 18.655 -10.075 1.00 0.00 C ATOM 1591 ND1 HIS A 102 -19.539 18.742 -11.199 1.00 0.00 N ATOM 1592 CD2 HIS A 102 -19.585 18.700 -9.019 1.00 0.00 C ATOM 1593 CE1 HIS A 102 -20.801 18.835 -10.834 1.00 0.00 C ATOM 1594 NE2 HIS A 102 -20.859 18.810 -9.515 1.00 0.00 N ATOM 1595 OXT HIS A 102 -17.209 16.533 -12.402 1.00 0.00 O ATOM 0 H HIS A 102 -15.046 17.500 -11.213 1.00 0.00 H new ATOM 0 HA HIS A 102 -16.983 16.647 -9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -16.810 19.042 -9.285 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -16.884 19.017 -11.036 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -19.306 18.657 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -21.646 18.918 -11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -21.711 18.864 -8.957 1.00 0.00 H new TER 1604 HIS A 102