USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 914 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 17 MET CE :methyl -160:sc= -0.859 (180deg=-1) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.862 K(o=-1.7,f=-2.3) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -176:sc= 0.0216 (180deg=0.0159) USER MOD Set 2.2: A 81 HIS : no HD1:sc= -1.96 X(o=-1.9,f=-2.1) USER MOD Set 3.1: A 68 CYS SG : rot -125:sc= 0.191 USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -0.193 USER MOD Set 4.1: A 49 SER OG : rot 20:sc= 1.04 USER MOD Set 4.2: A 64 HIS : no HE2:sc= -5.77! C(o=-4.7!,f=-19!) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-1.04) USER MOD Set 5.2: A 106 TYR OH : rot 165:sc= -1.42 USER MOD Set 6.1: A 21 GLN : amide:sc= -1.34 K(o=-4.3,f=-2.6) USER MOD Set 6.2: A 24 GLN : amide:sc= -3.01 K(o=-4.3,f=-3.5) USER MOD Set 7.1: A 13 TYR OH : rot 144:sc= -0.0552 USER MOD Set 7.2: A 15 LYS NZ :NH3+ -120:sc= 0.405 (180deg=-1.4!) USER MOD Set 8.1: A 14 SER OG : rot 131:sc= -0.495 USER MOD Set 8.2: A 109 SER OG : rot -142:sc= -6.01! USER MOD Single : A 1 THR N :NH3+ -145:sc= 0.372 (180deg=-0.158) USER MOD Single : A 1 THR OG1 : rot 45:sc= 0.161 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 140:sc= -3.27 (180deg=-8.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.15) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= -0.988 (180deg=-1.15) USER MOD Single : A 28 GLN : amide:sc=-0.000143 X(o=-0.00014,f=-0.12) USER MOD Single : A 40 SER OG : rot 90:sc= 0.0754 USER MOD Single : A 41 SER OG : rot 180:sc= -0.574 USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0897) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 0.747 (180deg=0.0933) USER MOD Single : A 54 SER OG : rot 66:sc= 0.043 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 15:sc= 0 USER MOD Single : A 69 SER OG : rot -109:sc= 1.41 USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.59! USER MOD Single : A 72 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.5) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -6.03! C(o=-6!,f=-9.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -56:sc= -0.097! USER MOD Single : A 91 ASN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 94 GLN : amide:sc= 0.38 K(o=0.38,f=-8.3!) USER MOD Single : A 95 HIS : no HE2:sc= -2.46 K(o=-2.5,f=-5.5!) USER MOD Single : A 96 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.343) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 156:sc= -0.605 (180deg=-1.28) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0637 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 17.004 -6.052 -10.579 1.00 0.00 N ATOM 2 CA THR A 1 16.196 -7.093 -11.278 1.00 0.00 C ATOM 3 C THR A 1 14.715 -6.940 -10.921 1.00 0.00 C ATOM 4 O THR A 1 14.359 -6.757 -9.774 1.00 0.00 O ATOM 5 CB THR A 1 16.739 -8.427 -10.763 1.00 0.00 C ATOM 6 OG1 THR A 1 16.951 -8.342 -9.361 1.00 0.00 O ATOM 7 CG2 THR A 1 18.060 -8.746 -11.464 1.00 0.00 C ATOM 0 H1 THR A 1 17.790 -5.754 -11.191 1.00 0.00 H new ATOM 0 H2 THR A 1 16.402 -5.232 -10.364 1.00 0.00 H new ATOM 0 H3 THR A 1 17.384 -6.444 -9.694 1.00 0.00 H new ATOM 0 HA THR A 1 16.270 -7.015 -12.363 1.00 0.00 H new ATOM 0 HB THR A 1 16.019 -9.218 -10.973 1.00 0.00 H new ATOM 0 HG1 THR A 1 16.177 -7.915 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 1 18.447 -9.697 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 1 17.894 -8.813 -12.539 1.00 0.00 H new ATOM 0 HG23 THR A 1 18.782 -7.956 -11.256 1.00 0.00 H new ATOM 15 N GLU A 2 13.850 -7.014 -11.899 1.00 0.00 N ATOM 16 CA GLU A 2 12.386 -6.872 -11.628 1.00 0.00 C ATOM 17 C GLU A 2 12.106 -5.565 -10.880 1.00 0.00 C ATOM 18 O GLU A 2 12.235 -5.488 -9.674 1.00 0.00 O ATOM 19 CB GLU A 2 12.017 -8.081 -10.762 1.00 0.00 C ATOM 20 CG GLU A 2 10.747 -8.737 -11.309 1.00 0.00 C ATOM 21 CD GLU A 2 10.881 -10.259 -11.230 1.00 0.00 C ATOM 22 OE1 GLU A 2 11.708 -10.799 -11.947 1.00 0.00 O ATOM 23 OE2 GLU A 2 10.156 -10.858 -10.454 1.00 0.00 O ATOM 0 H GLU A 2 14.094 -7.167 -12.877 1.00 0.00 H new ATOM 0 HA GLU A 2 11.801 -6.840 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.836 -8.800 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.861 -7.767 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.880 -8.408 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.582 -8.429 -12.342 1.00 0.00 H new ATOM 30 N ALA A 3 11.726 -4.537 -11.589 1.00 0.00 N ATOM 31 CA ALA A 3 11.438 -3.231 -10.927 1.00 0.00 C ATOM 32 C ALA A 3 9.927 -2.990 -10.863 1.00 0.00 C ATOM 33 O ALA A 3 9.144 -3.916 -10.798 1.00 0.00 O ATOM 34 CB ALA A 3 12.118 -2.185 -11.811 1.00 0.00 C ATOM 0 H ALA A 3 11.602 -4.545 -12.601 1.00 0.00 H new ATOM 0 HA ALA A 3 11.803 -3.196 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.953 -1.192 -11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.188 -2.387 -11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.698 -2.229 -12.816 1.00 0.00 H new ATOM 40 N GLU A 4 9.517 -1.751 -10.869 1.00 0.00 N ATOM 41 CA GLU A 4 8.059 -1.444 -10.797 1.00 0.00 C ATOM 42 C GLU A 4 7.799 0.005 -11.224 1.00 0.00 C ATOM 43 O GLU A 4 6.830 0.297 -11.898 1.00 0.00 O ATOM 44 CB GLU A 4 7.669 -1.657 -9.328 1.00 0.00 C ATOM 45 CG GLU A 4 8.694 -0.990 -8.398 1.00 0.00 C ATOM 46 CD GLU A 4 8.091 0.284 -7.803 1.00 0.00 C ATOM 47 OE1 GLU A 4 7.179 0.164 -7.000 1.00 0.00 O ATOM 48 OE2 GLU A 4 8.550 1.356 -8.159 1.00 0.00 O ATOM 0 H GLU A 4 10.129 -0.937 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 4 7.474 -2.079 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.678 -1.242 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.612 -2.724 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.979 -1.677 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.602 -0.751 -8.952 1.00 0.00 H new ATOM 55 N ASP A 5 8.659 0.913 -10.842 1.00 0.00 N ATOM 56 CA ASP A 5 8.461 2.340 -11.234 1.00 0.00 C ATOM 57 C ASP A 5 8.521 2.477 -12.758 1.00 0.00 C ATOM 58 O ASP A 5 9.559 2.295 -13.364 1.00 0.00 O ATOM 59 CB ASP A 5 9.616 3.102 -10.582 1.00 0.00 C ATOM 60 CG ASP A 5 9.061 4.170 -9.637 1.00 0.00 C ATOM 61 OD1 ASP A 5 8.543 3.801 -8.596 1.00 0.00 O ATOM 62 OD2 ASP A 5 9.165 5.338 -9.970 1.00 0.00 O ATOM 0 H ASP A 5 9.488 0.729 -10.277 1.00 0.00 H new ATOM 0 HA ASP A 5 7.493 2.725 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.255 2.412 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.236 3.567 -11.348 1.00 0.00 H new ATOM 67 N SER A 6 7.417 2.788 -13.382 1.00 0.00 N ATOM 68 CA SER A 6 7.414 2.929 -14.867 1.00 0.00 C ATOM 69 C SER A 6 6.693 4.213 -15.286 1.00 0.00 C ATOM 70 O SER A 6 6.424 5.079 -14.476 1.00 0.00 O ATOM 71 CB SER A 6 6.663 1.701 -15.378 1.00 0.00 C ATOM 72 OG SER A 6 7.599 0.727 -15.820 1.00 0.00 O ATOM 0 H SER A 6 6.518 2.950 -12.929 1.00 0.00 H new ATOM 0 HA SER A 6 8.423 2.992 -15.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.038 1.288 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.999 1.981 -16.196 1.00 0.00 H new ATOM 0 HG SER A 6 7.120 -0.063 -16.147 1.00 0.00 H new ATOM 78 N ILE A 7 6.383 4.340 -16.548 1.00 0.00 N ATOM 79 CA ILE A 7 5.682 5.564 -17.033 1.00 0.00 C ATOM 80 C ILE A 7 4.166 5.341 -17.035 1.00 0.00 C ATOM 81 O ILE A 7 3.415 6.118 -16.480 1.00 0.00 O ATOM 82 CB ILE A 7 6.206 5.767 -18.461 1.00 0.00 C ATOM 83 CG1 ILE A 7 7.647 6.291 -18.412 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.321 6.771 -19.207 1.00 0.00 C ATOM 85 CD1 ILE A 7 7.695 7.631 -17.671 1.00 0.00 C ATOM 0 H ILE A 7 6.586 3.646 -17.267 1.00 0.00 H new ATOM 0 HA ILE A 7 5.867 6.433 -16.401 1.00 0.00 H new ATOM 0 HB ILE A 7 6.184 4.812 -18.986 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.289 5.566 -17.911 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.033 6.412 -19.424 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.701 6.909 -20.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.299 6.393 -19.251 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.332 7.726 -18.682 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.722 7.994 -17.642 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.068 8.356 -18.190 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.329 7.497 -16.653 1.00 0.00 H new ATOM 97 N GLU A 8 3.715 4.289 -17.667 1.00 0.00 N ATOM 98 CA GLU A 8 2.247 4.003 -17.725 1.00 0.00 C ATOM 99 C GLU A 8 1.601 4.157 -16.341 1.00 0.00 C ATOM 100 O GLU A 8 0.952 5.145 -16.060 1.00 0.00 O ATOM 101 CB GLU A 8 2.144 2.555 -18.205 1.00 0.00 C ATOM 102 CG GLU A 8 2.584 2.468 -19.667 1.00 0.00 C ATOM 103 CD GLU A 8 2.215 1.093 -20.230 1.00 0.00 C ATOM 104 OE1 GLU A 8 1.068 0.918 -20.607 1.00 0.00 O ATOM 105 OE2 GLU A 8 3.085 0.240 -20.275 1.00 0.00 O ATOM 0 H GLU A 8 4.303 3.610 -18.149 1.00 0.00 H new ATOM 0 HA GLU A 8 1.727 4.696 -18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.770 1.911 -17.587 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.119 2.199 -18.101 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.102 3.253 -20.250 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.659 2.628 -19.744 1.00 0.00 H new ATOM 112 N MET A 9 1.776 3.189 -15.477 1.00 0.00 N ATOM 113 CA MET A 9 1.174 3.275 -14.111 1.00 0.00 C ATOM 114 C MET A 9 -0.328 3.569 -14.205 1.00 0.00 C ATOM 115 O MET A 9 -0.742 4.701 -14.362 1.00 0.00 O ATOM 116 CB MET A 9 1.908 4.428 -13.424 1.00 0.00 C ATOM 117 CG MET A 9 3.407 4.122 -13.366 1.00 0.00 C ATOM 118 SD MET A 9 3.692 2.684 -12.303 1.00 0.00 S ATOM 119 CE MET A 9 3.783 1.443 -13.618 1.00 0.00 C ATOM 0 H MET A 9 2.311 2.340 -15.659 1.00 0.00 H new ATOM 0 HA MET A 9 1.276 2.341 -13.558 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.737 5.357 -13.968 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.517 4.572 -12.417 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.788 3.927 -14.369 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.950 4.985 -12.981 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.573 0.728 -13.389 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.830 0.920 -13.691 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.001 1.933 -14.567 1.00 0.00 H new ATOM 129 N TYR A 10 -1.147 2.554 -14.112 1.00 0.00 N ATOM 130 CA TYR A 10 -2.623 2.766 -14.201 1.00 0.00 C ATOM 131 C TYR A 10 -3.082 3.815 -13.181 1.00 0.00 C ATOM 132 O TYR A 10 -3.329 4.956 -13.524 1.00 0.00 O ATOM 133 CB TYR A 10 -3.240 1.402 -13.886 1.00 0.00 C ATOM 134 CG TYR A 10 -3.303 0.575 -15.149 1.00 0.00 C ATOM 135 CD1 TYR A 10 -2.150 -0.058 -15.629 1.00 0.00 C ATOM 136 CD2 TYR A 10 -4.513 0.443 -15.840 1.00 0.00 C ATOM 137 CE1 TYR A 10 -2.208 -0.823 -16.801 1.00 0.00 C ATOM 138 CE2 TYR A 10 -4.571 -0.322 -17.011 1.00 0.00 C ATOM 139 CZ TYR A 10 -3.418 -0.955 -17.491 1.00 0.00 C ATOM 140 OH TYR A 10 -3.475 -1.708 -18.646 1.00 0.00 O ATOM 0 H TYR A 10 -0.857 1.585 -13.978 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.924 3.134 -15.182 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.646 0.888 -13.131 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.240 1.530 -13.472 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.216 0.044 -15.096 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.402 0.931 -15.470 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.319 -1.311 -17.172 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.505 -0.424 -17.544 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.389 -1.697 -18.999 1.00 0.00 H new ATOM 150 N GLU A 11 -3.203 3.441 -11.935 1.00 0.00 N ATOM 151 CA GLU A 11 -3.650 4.421 -10.901 1.00 0.00 C ATOM 152 C GLU A 11 -2.985 4.128 -9.558 1.00 0.00 C ATOM 153 O GLU A 11 -2.520 5.018 -8.878 1.00 0.00 O ATOM 154 CB GLU A 11 -5.161 4.212 -10.771 1.00 0.00 C ATOM 155 CG GLU A 11 -5.826 5.525 -10.375 1.00 0.00 C ATOM 156 CD GLU A 11 -5.888 6.456 -11.587 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.352 6.016 -12.626 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.470 7.595 -11.456 1.00 0.00 O ATOM 0 H GLU A 11 -3.012 2.501 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.389 5.441 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.572 3.855 -11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.370 3.447 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.831 5.336 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.266 5.999 -9.568 1.00 0.00 H new ATOM 165 N TRP A 12 -2.959 2.880 -9.172 1.00 0.00 N ATOM 166 CA TRP A 12 -2.359 2.486 -7.860 1.00 0.00 C ATOM 167 C TRP A 12 -1.048 3.222 -7.588 1.00 0.00 C ATOM 168 O TRP A 12 -0.665 3.418 -6.455 1.00 0.00 O ATOM 169 CB TRP A 12 -2.106 0.984 -7.966 1.00 0.00 C ATOM 170 CG TRP A 12 -1.245 0.697 -9.156 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.700 0.437 -10.403 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.209 0.636 -9.230 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.618 0.221 -11.237 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.580 0.332 -10.560 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.229 0.814 -8.280 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.918 0.209 -10.935 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.577 0.690 -8.653 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.921 0.388 -9.978 1.00 0.00 C ATOM 0 H TRP A 12 -3.334 2.104 -9.718 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.026 2.742 -7.037 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.621 0.623 -7.059 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.053 0.452 -8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.738 0.404 -10.699 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.696 0.006 -12.231 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.975 1.048 -7.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.177 -0.023 -11.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.353 0.828 -7.915 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.960 0.294 -10.259 1.00 0.00 H new ATOM 189 N TYR A 13 -0.353 3.627 -8.611 1.00 0.00 N ATOM 190 CA TYR A 13 0.939 4.338 -8.379 1.00 0.00 C ATOM 191 C TYR A 13 0.698 5.824 -8.096 1.00 0.00 C ATOM 192 O TYR A 13 -0.061 6.483 -8.781 1.00 0.00 O ATOM 193 CB TYR A 13 1.742 4.161 -9.665 1.00 0.00 C ATOM 194 CG TYR A 13 3.164 4.596 -9.413 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.458 5.953 -9.252 1.00 0.00 C ATOM 196 CD2 TYR A 13 4.186 3.642 -9.327 1.00 0.00 C ATOM 197 CE1 TYR A 13 4.773 6.360 -9.009 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.503 4.049 -9.081 1.00 0.00 C ATOM 199 CZ TYR A 13 5.795 5.409 -8.921 1.00 0.00 C ATOM 200 OH TYR A 13 7.092 5.812 -8.679 1.00 0.00 O ATOM 0 H TYR A 13 -0.616 3.500 -9.588 1.00 0.00 H new ATOM 0 HA TYR A 13 1.467 3.936 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.717 3.119 -9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.303 4.752 -10.469 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.669 6.687 -9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.958 2.593 -9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.000 7.409 -8.889 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.292 3.315 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 13 7.539 5.151 -8.110 1.00 0.00 H new ATOM 210 N SER A 14 1.342 6.354 -7.086 1.00 0.00 N ATOM 211 CA SER A 14 1.158 7.796 -6.745 1.00 0.00 C ATOM 212 C SER A 14 2.449 8.372 -6.148 1.00 0.00 C ATOM 213 O SER A 14 3.098 7.750 -5.330 1.00 0.00 O ATOM 214 CB SER A 14 0.036 7.820 -5.711 1.00 0.00 C ATOM 215 OG SER A 14 -1.124 7.210 -6.262 1.00 0.00 O ATOM 0 H SER A 14 1.989 5.847 -6.482 1.00 0.00 H new ATOM 0 HA SER A 14 0.918 8.397 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.345 7.291 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.183 8.847 -5.419 1.00 0.00 H new ATOM 0 HG SER A 14 -1.479 6.551 -5.630 1.00 0.00 H new ATOM 221 N LYS A 15 2.823 9.553 -6.561 1.00 0.00 N ATOM 222 CA LYS A 15 4.073 10.180 -6.037 1.00 0.00 C ATOM 223 C LYS A 15 3.930 10.576 -4.565 1.00 0.00 C ATOM 224 O LYS A 15 3.417 11.629 -4.242 1.00 0.00 O ATOM 225 CB LYS A 15 4.277 11.430 -6.898 1.00 0.00 C ATOM 226 CG LYS A 15 5.394 11.182 -7.911 1.00 0.00 C ATOM 227 CD LYS A 15 5.007 10.017 -8.822 1.00 0.00 C ATOM 228 CE LYS A 15 6.272 9.379 -9.395 1.00 0.00 C ATOM 229 NZ LYS A 15 6.919 8.704 -8.234 1.00 0.00 N ATOM 0 H LYS A 15 2.314 10.115 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 15 4.914 9.489 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.352 11.681 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.529 12.281 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.567 12.080 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.326 10.958 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.435 9.277 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.366 10.370 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.033 8.666 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.930 10.130 -9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.868 9.103 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.343 8.852 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.998 7.685 -8.425 1.00 0.00 H new ATOM 243 N HIS A 16 4.403 9.743 -3.677 1.00 0.00 N ATOM 244 CA HIS A 16 4.332 10.057 -2.221 1.00 0.00 C ATOM 245 C HIS A 16 2.891 10.305 -1.789 1.00 0.00 C ATOM 246 O HIS A 16 2.549 11.361 -1.293 1.00 0.00 O ATOM 247 CB HIS A 16 5.181 11.317 -2.034 1.00 0.00 C ATOM 248 CG HIS A 16 6.600 11.031 -2.444 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.459 10.279 -1.657 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.323 11.387 -3.554 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.638 10.208 -2.300 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.610 10.866 -3.462 1.00 0.00 N ATOM 0 H HIS A 16 4.840 8.849 -3.901 1.00 0.00 H new ATOM 0 HA HIS A 16 4.698 9.230 -1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.776 12.133 -2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.150 11.638 -0.993 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.950 11.981 -4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.503 9.683 -1.923 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.369 10.965 -4.137 1.00 0.00 H new ATOM 260 N MET A 17 2.049 9.329 -1.963 1.00 0.00 N ATOM 261 CA MET A 17 0.625 9.491 -1.551 1.00 0.00 C ATOM 262 C MET A 17 0.507 9.291 -0.037 1.00 0.00 C ATOM 263 O MET A 17 0.875 8.262 0.495 1.00 0.00 O ATOM 264 CB MET A 17 -0.135 8.393 -2.302 1.00 0.00 C ATOM 265 CG MET A 17 -1.604 8.379 -1.859 1.00 0.00 C ATOM 266 SD MET A 17 -2.662 8.907 -3.230 1.00 0.00 S ATOM 267 CE MET A 17 -1.958 10.561 -3.438 1.00 0.00 C ATOM 0 H MET A 17 2.283 8.425 -2.373 1.00 0.00 H new ATOM 0 HA MET A 17 0.230 10.480 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.072 8.564 -3.377 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.322 7.423 -2.106 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.886 7.377 -1.535 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.742 9.042 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.666 11.193 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.752 10.995 -2.459 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.031 10.493 -4.007 1.00 0.00 H new ATOM 277 N THR A 18 0.010 10.278 0.659 1.00 0.00 N ATOM 278 CA THR A 18 -0.122 10.165 2.143 1.00 0.00 C ATOM 279 C THR A 18 -0.898 8.901 2.529 1.00 0.00 C ATOM 280 O THR A 18 -1.950 8.615 1.992 1.00 0.00 O ATOM 281 CB THR A 18 -0.895 11.414 2.571 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.454 12.529 1.808 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.653 11.683 4.057 1.00 0.00 C ATOM 0 H THR A 18 -0.312 11.161 0.263 1.00 0.00 H new ATOM 0 HA THR A 18 0.851 10.094 2.629 1.00 0.00 H new ATOM 0 HB THR A 18 -1.960 11.256 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.950 13.329 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.204 12.573 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.994 10.828 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.412 11.839 4.230 1.00 0.00 H new ATOM 291 N ARG A 19 -0.381 8.150 3.467 1.00 0.00 N ATOM 292 CA ARG A 19 -1.074 6.902 3.913 1.00 0.00 C ATOM 293 C ARG A 19 -2.537 7.197 4.247 1.00 0.00 C ATOM 294 O ARG A 19 -3.429 6.415 3.975 1.00 0.00 O ATOM 295 CB ARG A 19 -0.326 6.480 5.184 1.00 0.00 C ATOM 296 CG ARG A 19 -0.570 7.511 6.300 1.00 0.00 C ATOM 297 CD ARG A 19 0.376 7.236 7.472 1.00 0.00 C ATOM 298 NE ARG A 19 1.043 8.539 7.745 1.00 0.00 N ATOM 299 CZ ARG A 19 0.391 9.491 8.356 1.00 0.00 C ATOM 300 NH1 ARG A 19 -0.237 9.239 9.472 1.00 0.00 N ATOM 301 NH2 ARG A 19 0.366 10.694 7.851 1.00 0.00 N ATOM 0 H ARG A 19 0.497 8.348 3.947 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.068 6.129 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.665 5.495 5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.741 6.399 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.409 8.519 5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.606 7.459 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.171 6.882 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.104 6.466 7.219 1.00 0.00 H new ATOM 0 HE ARG A 19 2.009 8.688 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.218 8.299 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.746 9.982 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.856 10.891 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.144 11.437 8.329 1.00 0.00 H new ATOM 315 N SER A 20 -2.773 8.323 4.851 1.00 0.00 N ATOM 316 CA SER A 20 -4.152 8.702 5.242 1.00 0.00 C ATOM 317 C SER A 20 -4.972 9.044 3.997 1.00 0.00 C ATOM 318 O SER A 20 -6.137 8.715 3.904 1.00 0.00 O ATOM 319 CB SER A 20 -3.952 9.911 6.157 1.00 0.00 C ATOM 320 OG SER A 20 -4.806 10.976 5.752 1.00 0.00 O ATOM 0 H SER A 20 -2.056 9.007 5.094 1.00 0.00 H new ATOM 0 HA SER A 20 -4.702 7.907 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.166 9.635 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.912 10.235 6.123 1.00 0.00 H new ATOM 0 HG SER A 20 -4.673 11.745 6.344 1.00 0.00 H new ATOM 326 N GLN A 21 -4.368 9.683 3.030 1.00 0.00 N ATOM 327 CA GLN A 21 -5.114 10.017 1.787 1.00 0.00 C ATOM 328 C GLN A 21 -5.538 8.726 1.095 1.00 0.00 C ATOM 329 O GLN A 21 -6.657 8.593 0.641 1.00 0.00 O ATOM 330 CB GLN A 21 -4.131 10.804 0.921 1.00 0.00 C ATOM 331 CG GLN A 21 -4.024 12.233 1.454 1.00 0.00 C ATOM 332 CD GLN A 21 -5.174 13.074 0.898 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.317 13.211 -0.301 1.00 0.00 O ATOM 334 NE2 GLN A 21 -6.005 13.648 1.724 1.00 0.00 N ATOM 0 H GLN A 21 -3.394 9.986 3.049 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.017 10.596 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.152 10.324 0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.468 10.814 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.056 12.229 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.068 12.669 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.885 13.533 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.775 14.212 1.363 1.00 0.00 H new ATOM 343 N ALA A 22 -4.659 7.760 1.029 1.00 0.00 N ATOM 344 CA ALA A 22 -5.034 6.473 0.389 1.00 0.00 C ATOM 345 C ALA A 22 -6.161 5.837 1.191 1.00 0.00 C ATOM 346 O ALA A 22 -7.123 5.353 0.641 1.00 0.00 O ATOM 347 CB ALA A 22 -3.774 5.601 0.428 1.00 0.00 C ATOM 0 H ALA A 22 -3.706 7.809 1.389 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.383 6.598 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.986 4.635 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.972 6.095 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.467 5.452 1.463 1.00 0.00 H new ATOM 353 N GLU A 23 -6.053 5.855 2.494 1.00 0.00 N ATOM 354 CA GLU A 23 -7.129 5.266 3.343 1.00 0.00 C ATOM 355 C GLU A 23 -8.469 5.946 3.056 1.00 0.00 C ATOM 356 O GLU A 23 -9.455 5.293 2.778 1.00 0.00 O ATOM 357 CB GLU A 23 -6.701 5.542 4.788 1.00 0.00 C ATOM 358 CG GLU A 23 -5.566 4.597 5.188 1.00 0.00 C ATOM 359 CD GLU A 23 -5.916 3.895 6.504 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.668 4.465 7.278 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.424 2.799 6.717 1.00 0.00 O ATOM 0 H GLU A 23 -5.266 6.252 3.006 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.259 4.201 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.375 6.577 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.550 5.409 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.402 3.858 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.637 5.156 5.299 1.00 0.00 H new ATOM 368 N GLN A 24 -8.518 7.250 3.135 1.00 0.00 N ATOM 369 CA GLN A 24 -9.806 7.949 2.881 1.00 0.00 C ATOM 370 C GLN A 24 -10.247 7.761 1.430 1.00 0.00 C ATOM 371 O GLN A 24 -11.390 7.437 1.173 1.00 0.00 O ATOM 372 CB GLN A 24 -9.567 9.429 3.202 1.00 0.00 C ATOM 373 CG GLN A 24 -8.479 10.010 2.297 1.00 0.00 C ATOM 374 CD GLN A 24 -8.188 11.452 2.719 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.240 12.357 1.909 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.880 11.706 3.962 1.00 0.00 N ATOM 0 H GLN A 24 -7.728 7.854 3.362 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.605 7.543 3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.493 9.989 3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.274 9.537 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.573 9.409 2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.802 9.981 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.836 10.947 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.683 12.664 4.253 1.00 0.00 H new ATOM 385 N LEU A 25 -9.372 7.944 0.473 1.00 0.00 N ATOM 386 CA LEU A 25 -9.812 7.748 -0.934 1.00 0.00 C ATOM 387 C LEU A 25 -10.071 6.261 -1.182 1.00 0.00 C ATOM 388 O LEU A 25 -10.839 5.895 -2.051 1.00 0.00 O ATOM 389 CB LEU A 25 -8.691 8.316 -1.819 1.00 0.00 C ATOM 390 CG LEU A 25 -7.457 7.414 -1.787 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.635 6.265 -2.785 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.226 8.241 -2.178 1.00 0.00 C ATOM 0 H LEU A 25 -8.397 8.214 0.603 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.746 8.262 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.047 8.415 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.424 9.316 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.327 7.004 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.755 5.623 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.516 5.683 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.761 6.671 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.340 7.606 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.362 8.643 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.100 9.062 -1.472 1.00 0.00 H new ATOM 404 N LEU A 26 -9.474 5.399 -0.397 1.00 0.00 N ATOM 405 CA LEU A 26 -9.740 3.945 -0.571 1.00 0.00 C ATOM 406 C LEU A 26 -11.126 3.647 -0.003 1.00 0.00 C ATOM 407 O LEU A 26 -12.011 3.188 -0.700 1.00 0.00 O ATOM 408 CB LEU A 26 -8.668 3.219 0.244 1.00 0.00 C ATOM 409 CG LEU A 26 -7.492 2.817 -0.658 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.354 2.251 0.200 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.948 1.747 -1.655 1.00 0.00 C ATOM 0 H LEU A 26 -8.821 5.639 0.349 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.711 3.631 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.314 3.864 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.096 2.332 0.712 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.141 3.696 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.521 1.966 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.022 3.008 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.709 1.375 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.111 1.464 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.302 0.871 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.756 2.144 -2.270 1.00 0.00 H new ATOM 423 N LYS A 27 -11.327 3.933 1.261 1.00 0.00 N ATOM 424 CA LYS A 27 -12.664 3.695 1.878 1.00 0.00 C ATOM 425 C LYS A 27 -13.738 4.467 1.106 1.00 0.00 C ATOM 426 O LYS A 27 -14.826 3.978 0.873 1.00 0.00 O ATOM 427 CB LYS A 27 -12.544 4.236 3.304 1.00 0.00 C ATOM 428 CG LYS A 27 -13.120 3.219 4.291 1.00 0.00 C ATOM 429 CD LYS A 27 -13.580 3.942 5.558 1.00 0.00 C ATOM 430 CE LYS A 27 -13.988 2.912 6.615 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.437 2.668 6.375 1.00 0.00 N ATOM 0 H LYS A 27 -10.622 4.320 1.889 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.947 2.642 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.499 4.436 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.077 5.183 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.958 2.690 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.367 2.471 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.778 4.573 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.421 4.598 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.411 1.993 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.813 3.289 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.759 1.877 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.978 3.523 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.588 2.433 5.373 1.00 0.00 H new ATOM 445 N GLN A 28 -13.436 5.677 0.720 1.00 0.00 N ATOM 446 CA GLN A 28 -14.432 6.502 -0.028 1.00 0.00 C ATOM 447 C GLN A 28 -14.798 5.853 -1.371 1.00 0.00 C ATOM 448 O GLN A 28 -15.954 5.823 -1.747 1.00 0.00 O ATOM 449 CB GLN A 28 -13.751 7.853 -0.251 1.00 0.00 C ATOM 450 CG GLN A 28 -14.775 8.859 -0.780 1.00 0.00 C ATOM 451 CD GLN A 28 -15.591 9.421 0.386 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.040 9.966 1.322 1.00 0.00 O ATOM 453 NE2 GLN A 28 -16.891 9.311 0.370 1.00 0.00 N ATOM 0 H GLN A 28 -12.539 6.133 0.890 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.365 6.600 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.320 8.214 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.930 7.746 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.267 9.668 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.436 8.376 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.354 8.854 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.444 9.682 1.143 1.00 0.00 H new ATOM 462 N GLU A 29 -13.840 5.331 -2.103 1.00 0.00 N ATOM 463 CA GLU A 29 -14.186 4.695 -3.412 1.00 0.00 C ATOM 464 C GLU A 29 -15.099 3.499 -3.153 1.00 0.00 C ATOM 465 O GLU A 29 -16.171 3.393 -3.717 1.00 0.00 O ATOM 466 CB GLU A 29 -12.856 4.256 -4.048 1.00 0.00 C ATOM 467 CG GLU A 29 -12.977 4.203 -5.584 1.00 0.00 C ATOM 468 CD GLU A 29 -14.445 4.099 -6.021 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.023 3.041 -5.841 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.962 5.082 -6.526 1.00 0.00 O ATOM 0 H GLU A 29 -12.851 5.318 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.713 5.376 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.065 4.950 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.571 3.275 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.528 5.096 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.419 3.348 -5.966 1.00 0.00 H new ATOM 477 N GLY A 30 -14.703 2.616 -2.276 1.00 0.00 N ATOM 478 CA GLY A 30 -15.569 1.456 -1.957 1.00 0.00 C ATOM 479 C GLY A 30 -15.117 0.201 -2.715 1.00 0.00 C ATOM 480 O GLY A 30 -15.834 -0.779 -2.779 1.00 0.00 O ATOM 0 H GLY A 30 -13.818 2.652 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.544 1.265 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.602 1.688 -2.216 1.00 0.00 H new ATOM 484 N LYS A 31 -13.941 0.213 -3.281 1.00 0.00 N ATOM 485 CA LYS A 31 -13.456 -0.992 -4.026 1.00 0.00 C ATOM 486 C LYS A 31 -12.854 -2.012 -3.057 1.00 0.00 C ATOM 487 O LYS A 31 -11.797 -1.793 -2.501 1.00 0.00 O ATOM 488 CB LYS A 31 -12.371 -0.471 -4.973 1.00 0.00 C ATOM 489 CG LYS A 31 -12.896 0.726 -5.786 1.00 0.00 C ATOM 490 CD LYS A 31 -14.325 0.460 -6.285 1.00 0.00 C ATOM 491 CE LYS A 31 -14.391 -0.895 -6.999 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.062 -0.613 -8.299 1.00 0.00 N ATOM 0 H LYS A 31 -13.294 1.001 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.266 -1.490 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.493 -0.172 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.056 -1.267 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.882 1.625 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.238 0.912 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.020 0.471 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.634 1.254 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.395 -1.310 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.954 -1.623 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.709 -1.393 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.600 0.274 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.345 -0.523 -9.047 1.00 0.00 H new ATOM 506 N GLU A 32 -13.504 -3.128 -2.851 1.00 0.00 N ATOM 507 CA GLU A 32 -12.931 -4.136 -1.911 1.00 0.00 C ATOM 508 C GLU A 32 -11.611 -4.669 -2.454 1.00 0.00 C ATOM 509 O GLU A 32 -11.578 -5.556 -3.285 1.00 0.00 O ATOM 510 CB GLU A 32 -13.947 -5.270 -1.783 1.00 0.00 C ATOM 511 CG GLU A 32 -14.413 -5.727 -3.170 1.00 0.00 C ATOM 512 CD GLU A 32 -15.905 -5.428 -3.336 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.651 -5.705 -2.412 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.275 -4.927 -4.386 1.00 0.00 O ATOM 0 H GLU A 32 -14.392 -3.382 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.734 -3.687 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.501 -6.108 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.803 -4.936 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.841 -5.215 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.230 -6.795 -3.293 1.00 0.00 H new ATOM 521 N GLY A 33 -10.523 -4.134 -1.985 1.00 0.00 N ATOM 522 CA GLY A 33 -9.200 -4.596 -2.454 1.00 0.00 C ATOM 523 C GLY A 33 -8.520 -3.495 -3.269 1.00 0.00 C ATOM 524 O GLY A 33 -7.663 -3.765 -4.082 1.00 0.00 O ATOM 0 H GLY A 33 -10.498 -3.389 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.577 -4.866 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.314 -5.493 -3.063 1.00 0.00 H new ATOM 528 N GLY A 34 -8.877 -2.251 -3.057 1.00 0.00 N ATOM 529 CA GLY A 34 -8.222 -1.156 -3.828 1.00 0.00 C ATOM 530 C GLY A 34 -6.715 -1.257 -3.625 1.00 0.00 C ATOM 531 O GLY A 34 -6.257 -1.671 -2.581 1.00 0.00 O ATOM 0 H GLY A 34 -9.587 -1.952 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.468 -1.238 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.586 -0.185 -3.491 1.00 0.00 H new ATOM 535 N PHE A 35 -5.939 -0.916 -4.617 1.00 0.00 N ATOM 536 CA PHE A 35 -4.461 -1.033 -4.460 1.00 0.00 C ATOM 537 C PHE A 35 -3.743 0.267 -4.837 1.00 0.00 C ATOM 538 O PHE A 35 -3.883 0.770 -5.934 1.00 0.00 O ATOM 539 CB PHE A 35 -4.067 -2.159 -5.413 1.00 0.00 C ATOM 540 CG PHE A 35 -2.659 -2.614 -5.115 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.573 -1.947 -5.691 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.442 -3.709 -4.272 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.267 -2.374 -5.424 1.00 0.00 C ATOM 544 CE2 PHE A 35 -1.136 -4.137 -4.003 1.00 0.00 C ATOM 545 CZ PHE A 35 -0.048 -3.470 -4.580 1.00 0.00 C ATOM 0 H PHE A 35 -6.259 -0.565 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.180 -1.234 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.759 -2.995 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.137 -1.815 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.742 -1.102 -6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.281 -4.224 -3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.571 -1.859 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.968 -4.981 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.959 -3.801 -4.374 1.00 0.00 H new ATOM 555 N ILE A 36 -2.956 0.796 -3.935 1.00 0.00 N ATOM 556 CA ILE A 36 -2.197 2.047 -4.231 1.00 0.00 C ATOM 557 C ILE A 36 -0.737 1.859 -3.800 1.00 0.00 C ATOM 558 O ILE A 36 -0.424 0.989 -3.012 1.00 0.00 O ATOM 559 CB ILE A 36 -2.861 3.144 -3.390 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.282 3.406 -3.905 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.036 4.433 -3.489 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.907 4.574 -3.131 1.00 0.00 C ATOM 0 H ILE A 36 -2.806 0.413 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.208 2.300 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.910 2.820 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.256 3.636 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.893 2.511 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.507 5.213 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.028 4.249 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.985 4.754 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.916 4.757 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.948 4.327 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.302 5.469 -3.272 1.00 0.00 H new ATOM 574 N VAL A 37 0.157 2.666 -4.305 1.00 0.00 N ATOM 575 CA VAL A 37 1.591 2.532 -3.914 1.00 0.00 C ATOM 576 C VAL A 37 2.288 3.891 -3.995 1.00 0.00 C ATOM 577 O VAL A 37 1.897 4.751 -4.760 1.00 0.00 O ATOM 578 CB VAL A 37 2.207 1.559 -4.924 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.682 1.337 -4.580 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.470 0.218 -4.867 1.00 0.00 C ATOM 0 H VAL A 37 -0.043 3.412 -4.971 1.00 0.00 H new ATOM 0 HA VAL A 37 1.699 2.172 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 37 2.120 1.978 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.123 0.645 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.212 2.288 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.763 0.919 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.912 -0.471 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.555 -0.201 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.418 0.370 -5.109 1.00 0.00 H new ATOM 590 N ARG A 38 3.320 4.092 -3.218 1.00 0.00 N ATOM 591 CA ARG A 38 4.038 5.401 -3.263 1.00 0.00 C ATOM 592 C ARG A 38 5.517 5.219 -2.912 1.00 0.00 C ATOM 593 O ARG A 38 5.903 4.257 -2.275 1.00 0.00 O ATOM 594 CB ARG A 38 3.344 6.281 -2.221 1.00 0.00 C ATOM 595 CG ARG A 38 3.405 5.616 -0.842 1.00 0.00 C ATOM 596 CD ARG A 38 4.718 5.993 -0.147 1.00 0.00 C ATOM 597 NE ARG A 38 4.309 6.577 1.161 1.00 0.00 N ATOM 598 CZ ARG A 38 4.308 7.872 1.327 1.00 0.00 C ATOM 599 NH1 ARG A 38 3.438 8.609 0.693 1.00 0.00 N ATOM 600 NH2 ARG A 38 5.177 8.428 2.126 1.00 0.00 N ATOM 0 H ARG A 38 3.695 3.411 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 38 4.004 5.845 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.824 7.259 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.305 6.446 -2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.557 5.934 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.335 4.533 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.355 5.120 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.286 6.711 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 38 4.030 5.965 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.759 8.173 0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.436 9.621 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.857 7.851 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.176 9.440 2.256 1.00 0.00 H new ATOM 614 N ASP A 39 6.347 6.142 -3.326 1.00 0.00 N ATOM 615 CA ASP A 39 7.805 6.033 -3.021 1.00 0.00 C ATOM 616 C ASP A 39 8.097 6.570 -1.615 1.00 0.00 C ATOM 617 O ASP A 39 7.350 7.364 -1.077 1.00 0.00 O ATOM 618 CB ASP A 39 8.495 6.896 -4.078 1.00 0.00 C ATOM 619 CG ASP A 39 9.952 6.453 -4.228 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.746 6.797 -3.368 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.246 5.776 -5.199 1.00 0.00 O ATOM 0 H ASP A 39 6.078 6.967 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 39 8.155 5.001 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.976 6.805 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.451 7.946 -3.790 1.00 0.00 H new ATOM 626 N SER A 40 9.177 6.140 -1.019 1.00 0.00 N ATOM 627 CA SER A 40 9.518 6.620 0.354 1.00 0.00 C ATOM 628 C SER A 40 10.653 7.650 0.291 1.00 0.00 C ATOM 629 O SER A 40 10.815 8.346 -0.692 1.00 0.00 O ATOM 630 CB SER A 40 9.964 5.368 1.107 1.00 0.00 C ATOM 631 OG SER A 40 9.988 5.643 2.501 1.00 0.00 O ATOM 0 H SER A 40 9.839 5.477 -1.423 1.00 0.00 H new ATOM 0 HA SER A 40 8.677 7.111 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.283 4.543 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.953 5.059 0.768 1.00 0.00 H new ATOM 0 HG SER A 40 9.113 5.436 2.890 1.00 0.00 H new ATOM 637 N SER A 41 11.437 7.755 1.334 1.00 0.00 N ATOM 638 CA SER A 41 12.555 8.743 1.331 1.00 0.00 C ATOM 639 C SER A 41 13.730 8.222 2.166 1.00 0.00 C ATOM 640 O SER A 41 14.853 8.170 1.706 1.00 0.00 O ATOM 641 CB SER A 41 11.969 10.004 1.963 1.00 0.00 C ATOM 642 OG SER A 41 11.735 9.772 3.346 1.00 0.00 O ATOM 0 H SER A 41 11.351 7.200 2.185 1.00 0.00 H new ATOM 0 HA SER A 41 12.938 8.927 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.655 10.841 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.038 10.275 1.465 1.00 0.00 H new ATOM 0 HG SER A 41 11.361 10.580 3.755 1.00 0.00 H new ATOM 648 N LYS A 42 13.478 7.839 3.390 1.00 0.00 N ATOM 649 CA LYS A 42 14.582 7.321 4.257 1.00 0.00 C ATOM 650 C LYS A 42 15.265 6.128 3.586 1.00 0.00 C ATOM 651 O LYS A 42 16.409 6.201 3.179 1.00 0.00 O ATOM 652 CB LYS A 42 13.899 6.886 5.555 1.00 0.00 C ATOM 653 CG LYS A 42 13.264 8.102 6.233 1.00 0.00 C ATOM 654 CD LYS A 42 12.106 7.642 7.120 1.00 0.00 C ATOM 655 CE LYS A 42 11.661 8.798 8.020 1.00 0.00 C ATOM 656 NZ LYS A 42 10.862 9.689 7.133 1.00 0.00 N ATOM 0 H LYS A 42 12.557 7.862 3.828 1.00 0.00 H new ATOM 0 HA LYS A 42 15.353 8.071 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.137 6.136 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.626 6.423 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.008 8.628 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.904 8.805 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.273 7.306 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.415 6.792 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.065 8.439 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.518 9.324 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.253 10.652 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.901 9.332 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.874 9.705 7.457 1.00 0.00 H new ATOM 670 N ALA A 43 14.568 5.031 3.460 1.00 0.00 N ATOM 671 CA ALA A 43 15.168 3.829 2.808 1.00 0.00 C ATOM 672 C ALA A 43 14.949 3.885 1.300 1.00 0.00 C ATOM 673 O ALA A 43 15.540 3.133 0.548 1.00 0.00 O ATOM 674 CB ALA A 43 14.404 2.636 3.384 1.00 0.00 C ATOM 0 H ALA A 43 13.607 4.914 3.781 1.00 0.00 H new ATOM 0 HA ALA A 43 16.241 3.766 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.790 1.713 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.532 2.610 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.345 2.733 3.146 1.00 0.00 H new ATOM 680 N GLY A 44 14.071 4.739 0.854 1.00 0.00 N ATOM 681 CA GLY A 44 13.780 4.805 -0.600 1.00 0.00 C ATOM 682 C GLY A 44 12.971 3.563 -0.958 1.00 0.00 C ATOM 683 O GLY A 44 13.023 3.065 -2.066 1.00 0.00 O ATOM 0 H GLY A 44 13.544 5.392 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.221 5.710 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.705 4.840 -1.176 1.00 0.00 H new ATOM 687 N LYS A 45 12.227 3.053 -0.007 1.00 0.00 N ATOM 688 CA LYS A 45 11.414 1.834 -0.259 1.00 0.00 C ATOM 689 C LYS A 45 10.031 2.228 -0.784 1.00 0.00 C ATOM 690 O LYS A 45 9.727 3.395 -0.931 1.00 0.00 O ATOM 691 CB LYS A 45 11.299 1.146 1.103 1.00 0.00 C ATOM 692 CG LYS A 45 10.495 2.024 2.069 1.00 0.00 C ATOM 693 CD LYS A 45 11.110 1.947 3.468 1.00 0.00 C ATOM 694 CE LYS A 45 11.052 3.325 4.131 1.00 0.00 C ATOM 695 NZ LYS A 45 11.480 3.091 5.539 1.00 0.00 N ATOM 0 H LYS A 45 12.151 3.434 0.936 1.00 0.00 H new ATOM 0 HA LYS A 45 11.864 1.180 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.813 0.177 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.293 0.959 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.490 3.056 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.457 1.693 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.571 1.218 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.143 1.606 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.712 4.033 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.046 3.742 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.466 3.991 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.829 2.418 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.444 2.700 5.548 1.00 0.00 H new ATOM 709 N TYR A 46 9.189 1.269 -1.062 1.00 0.00 N ATOM 710 CA TYR A 46 7.825 1.602 -1.572 1.00 0.00 C ATOM 711 C TYR A 46 6.763 1.179 -0.551 1.00 0.00 C ATOM 712 O TYR A 46 7.003 0.340 0.298 1.00 0.00 O ATOM 713 CB TYR A 46 7.656 0.802 -2.874 1.00 0.00 C ATOM 714 CG TYR A 46 8.841 1.011 -3.803 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.599 2.187 -3.739 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.176 0.019 -4.734 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.687 2.370 -4.601 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.263 0.202 -5.596 1.00 0.00 C ATOM 719 CZ TYR A 46 11.019 1.377 -5.528 1.00 0.00 C ATOM 720 OH TYR A 46 12.092 1.558 -6.378 1.00 0.00 O ATOM 0 H TYR A 46 9.384 0.273 -0.959 1.00 0.00 H new ATOM 0 HA TYR A 46 7.709 2.673 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.554 -0.258 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.738 1.108 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.344 2.954 -3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.594 -0.889 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.270 3.278 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.518 -0.564 -6.314 1.00 0.00 H new ATOM 0 HH TYR A 46 12.186 0.773 -6.958 1.00 0.00 H new ATOM 730 N THR A 47 5.588 1.746 -0.638 1.00 0.00 N ATOM 731 CA THR A 47 4.500 1.370 0.315 1.00 0.00 C ATOM 732 C THR A 47 3.242 1.010 -0.472 1.00 0.00 C ATOM 733 O THR A 47 2.820 1.742 -1.344 1.00 0.00 O ATOM 734 CB THR A 47 4.259 2.611 1.183 1.00 0.00 C ATOM 735 OG1 THR A 47 5.431 2.891 1.936 1.00 0.00 O ATOM 736 CG2 THR A 47 3.084 2.358 2.139 1.00 0.00 C ATOM 0 H THR A 47 5.334 2.453 -1.328 1.00 0.00 H new ATOM 0 HA THR A 47 4.764 0.508 0.928 1.00 0.00 H new ATOM 0 HB THR A 47 4.022 3.460 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.281 3.685 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.918 3.243 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.185 2.143 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.314 1.508 2.782 1.00 0.00 H new ATOM 744 N VAL A 48 2.649 -0.116 -0.177 1.00 0.00 N ATOM 745 CA VAL A 48 1.421 -0.530 -0.919 1.00 0.00 C ATOM 746 C VAL A 48 0.164 -0.253 -0.083 1.00 0.00 C ATOM 747 O VAL A 48 -0.101 -0.917 0.899 1.00 0.00 O ATOM 748 CB VAL A 48 1.598 -2.032 -1.158 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.316 -2.622 -1.748 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.754 -2.255 -2.137 1.00 0.00 C ATOM 0 H VAL A 48 2.961 -0.766 0.544 1.00 0.00 H new ATOM 0 HA VAL A 48 1.296 0.021 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 48 1.815 -2.523 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.451 -3.691 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.510 -2.464 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.093 -2.132 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.883 -3.323 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.532 -1.759 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.671 -1.842 -1.717 1.00 0.00 H new ATOM 760 N SER A 49 -0.612 0.721 -0.479 1.00 0.00 N ATOM 761 CA SER A 49 -1.859 1.054 0.272 1.00 0.00 C ATOM 762 C SER A 49 -3.054 0.319 -0.340 1.00 0.00 C ATOM 763 O SER A 49 -3.476 0.629 -1.436 1.00 0.00 O ATOM 764 CB SER A 49 -2.026 2.562 0.095 1.00 0.00 C ATOM 765 OG SER A 49 -1.211 3.241 1.040 1.00 0.00 O ATOM 0 H SER A 49 -0.434 1.305 -1.296 1.00 0.00 H new ATOM 0 HA SER A 49 -1.802 0.762 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.748 2.853 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.071 2.842 0.231 1.00 0.00 H new ATOM 0 HG SER A 49 -0.509 2.637 1.361 1.00 0.00 H new ATOM 771 N VAL A 50 -3.606 -0.650 0.346 1.00 0.00 N ATOM 772 CA VAL A 50 -4.772 -1.381 -0.239 1.00 0.00 C ATOM 773 C VAL A 50 -5.943 -1.420 0.751 1.00 0.00 C ATOM 774 O VAL A 50 -5.748 -1.558 1.945 1.00 0.00 O ATOM 775 CB VAL A 50 -4.261 -2.801 -0.529 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.975 -2.733 -1.358 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.969 -3.532 0.786 1.00 0.00 C ATOM 0 H VAL A 50 -3.307 -0.963 1.270 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.143 -0.892 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.028 -3.341 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.618 -3.743 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.176 -2.224 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.214 -2.183 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.607 -4.537 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.210 -2.985 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.882 -3.594 1.378 1.00 0.00 H new ATOM 787 N PHE A 51 -7.160 -1.298 0.272 1.00 0.00 N ATOM 788 CA PHE A 51 -8.322 -1.331 1.211 1.00 0.00 C ATOM 789 C PHE A 51 -9.448 -2.219 0.668 1.00 0.00 C ATOM 790 O PHE A 51 -9.433 -2.623 -0.475 1.00 0.00 O ATOM 791 CB PHE A 51 -8.789 0.127 1.305 1.00 0.00 C ATOM 792 CG PHE A 51 -10.224 0.248 0.834 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.506 0.255 -0.535 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.268 0.339 1.763 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.828 0.358 -0.976 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.590 0.438 1.320 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.870 0.448 -0.050 1.00 0.00 C ATOM 0 H PHE A 51 -7.394 -1.179 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.047 -1.745 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.705 0.478 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.144 0.763 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.702 0.181 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.052 0.333 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.044 0.368 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.396 0.507 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.891 0.525 -0.392 1.00 0.00 H new ATOM 807 N ALA A 52 -10.442 -2.487 1.480 1.00 0.00 N ATOM 808 CA ALA A 52 -11.601 -3.310 1.012 1.00 0.00 C ATOM 809 C ALA A 52 -12.773 -3.206 1.989 1.00 0.00 C ATOM 810 O ALA A 52 -12.610 -2.852 3.135 1.00 0.00 O ATOM 811 CB ALA A 52 -11.108 -4.752 0.939 1.00 0.00 C ATOM 0 H ALA A 52 -10.501 -2.171 2.448 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.956 -2.959 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.919 -5.397 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.276 -4.817 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.776 -5.073 1.926 1.00 0.00 H new ATOM 817 N LYS A 53 -13.957 -3.514 1.535 1.00 0.00 N ATOM 818 CA LYS A 53 -15.152 -3.432 2.427 1.00 0.00 C ATOM 819 C LYS A 53 -15.749 -4.829 2.657 1.00 0.00 C ATOM 820 O LYS A 53 -16.901 -5.071 2.353 1.00 0.00 O ATOM 821 CB LYS A 53 -16.138 -2.557 1.654 1.00 0.00 C ATOM 822 CG LYS A 53 -15.747 -1.087 1.810 1.00 0.00 C ATOM 823 CD LYS A 53 -16.974 -0.203 1.582 1.00 0.00 C ATOM 824 CE LYS A 53 -16.620 1.251 1.899 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.866 1.835 2.469 1.00 0.00 N ATOM 0 H LYS A 53 -14.150 -3.820 0.581 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.911 -3.028 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.138 -2.834 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.150 -2.716 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.340 -0.912 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.964 -0.831 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.311 -0.290 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.797 -0.535 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.795 1.311 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.308 1.786 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.866 2.864 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.693 1.418 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.910 1.631 3.488 1.00 0.00 H new ATOM 839 N SER A 54 -14.983 -5.753 3.185 1.00 0.00 N ATOM 840 CA SER A 54 -15.538 -7.124 3.415 1.00 0.00 C ATOM 841 C SER A 54 -14.619 -7.965 4.314 1.00 0.00 C ATOM 842 O SER A 54 -14.047 -8.948 3.881 1.00 0.00 O ATOM 843 CB SER A 54 -15.634 -7.745 2.022 1.00 0.00 C ATOM 844 OG SER A 54 -14.398 -7.568 1.342 1.00 0.00 O ATOM 0 H SER A 54 -14.011 -5.621 3.463 1.00 0.00 H new ATOM 0 HA SER A 54 -16.501 -7.084 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.871 -8.806 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.442 -7.279 1.458 1.00 0.00 H new ATOM 0 HG SER A 54 -13.699 -8.086 1.793 1.00 0.00 H new ATOM 850 N THR A 55 -14.490 -7.601 5.564 1.00 0.00 N ATOM 851 CA THR A 55 -13.628 -8.388 6.504 1.00 0.00 C ATOM 852 C THR A 55 -13.742 -7.780 7.909 1.00 0.00 C ATOM 853 O THR A 55 -14.833 -7.511 8.374 1.00 0.00 O ATOM 854 CB THR A 55 -12.200 -8.278 5.952 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.316 -9.007 6.792 1.00 0.00 O ATOM 856 CG2 THR A 55 -11.768 -6.813 5.911 1.00 0.00 C ATOM 0 H THR A 55 -14.946 -6.788 5.979 1.00 0.00 H new ATOM 0 HA THR A 55 -13.924 -9.434 6.579 1.00 0.00 H new ATOM 0 HB THR A 55 -12.172 -8.687 4.942 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.403 -8.941 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.754 -6.744 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.446 -6.252 5.268 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.796 -6.397 6.918 1.00 0.00 H new ATOM 864 N GLY A 56 -12.642 -7.539 8.588 1.00 0.00 N ATOM 865 CA GLY A 56 -12.730 -6.925 9.950 1.00 0.00 C ATOM 866 C GLY A 56 -13.640 -5.699 9.864 1.00 0.00 C ATOM 867 O GLY A 56 -14.393 -5.396 10.769 1.00 0.00 O ATOM 0 H GLY A 56 -11.697 -7.739 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.128 -7.644 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.739 -6.639 10.303 1.00 0.00 H new ATOM 871 N ASP A 57 -13.587 -5.015 8.754 1.00 0.00 N ATOM 872 CA ASP A 57 -14.448 -3.825 8.545 1.00 0.00 C ATOM 873 C ASP A 57 -15.289 -4.055 7.278 1.00 0.00 C ATOM 874 O ASP A 57 -14.864 -3.726 6.190 1.00 0.00 O ATOM 875 CB ASP A 57 -13.471 -2.676 8.341 1.00 0.00 C ATOM 876 CG ASP A 57 -14.023 -1.410 8.997 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.073 -0.955 8.571 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.388 -0.915 9.914 1.00 0.00 O ATOM 0 H ASP A 57 -12.971 -5.238 7.972 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.131 -3.626 9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.502 -2.928 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.311 -2.506 7.276 1.00 0.00 H new ATOM 883 N PRO A 58 -16.447 -4.639 7.452 1.00 0.00 N ATOM 884 CA PRO A 58 -17.332 -4.945 6.300 1.00 0.00 C ATOM 885 C PRO A 58 -17.630 -3.713 5.445 1.00 0.00 C ATOM 886 O PRO A 58 -18.046 -3.830 4.308 1.00 0.00 O ATOM 887 CB PRO A 58 -18.603 -5.446 6.985 1.00 0.00 C ATOM 888 CG PRO A 58 -18.387 -5.436 8.509 1.00 0.00 C ATOM 889 CD PRO A 58 -16.943 -5.014 8.796 1.00 0.00 C ATOM 0 HA PRO A 58 -16.884 -5.657 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.449 -4.811 6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.842 -6.454 6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.084 -4.747 8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.582 -6.424 8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.895 -4.178 9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.361 -5.827 9.231 1.00 0.00 H new ATOM 897 N GLN A 59 -17.457 -2.542 5.979 1.00 0.00 N ATOM 898 CA GLN A 59 -17.774 -1.318 5.179 1.00 0.00 C ATOM 899 C GLN A 59 -16.545 -0.430 4.949 1.00 0.00 C ATOM 900 O GLN A 59 -16.681 0.722 4.588 1.00 0.00 O ATOM 901 CB GLN A 59 -18.825 -0.569 6.001 1.00 0.00 C ATOM 902 CG GLN A 59 -18.345 -0.435 7.448 1.00 0.00 C ATOM 903 CD GLN A 59 -19.092 0.711 8.132 1.00 0.00 C ATOM 904 OE1 GLN A 59 -18.713 1.858 8.009 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.147 0.447 8.855 1.00 0.00 N ATOM 0 H GLN A 59 -17.114 -2.372 6.924 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.126 -1.588 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.001 0.418 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.774 -1.104 5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.517 -1.367 7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.272 -0.247 7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.466 -0.516 8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.652 1.204 9.316 1.00 0.00 H new ATOM 914 N GLY A 60 -15.352 -0.935 5.131 1.00 0.00 N ATOM 915 CA GLY A 60 -14.164 -0.076 4.887 1.00 0.00 C ATOM 916 C GLY A 60 -12.917 -0.649 5.566 1.00 0.00 C ATOM 917 O GLY A 60 -12.742 -0.536 6.763 1.00 0.00 O ATOM 0 H GLY A 60 -15.154 -1.889 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.989 0.012 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.356 0.929 5.262 1.00 0.00 H new ATOM 921 N VAL A 61 -12.041 -1.245 4.801 1.00 0.00 N ATOM 922 CA VAL A 61 -10.791 -1.815 5.385 1.00 0.00 C ATOM 923 C VAL A 61 -9.588 -1.268 4.650 1.00 0.00 C ATOM 924 O VAL A 61 -9.632 -1.046 3.467 1.00 0.00 O ATOM 925 CB VAL A 61 -10.857 -3.324 5.165 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.709 -3.992 5.922 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.193 -3.868 5.660 1.00 0.00 C ATOM 0 H VAL A 61 -12.138 -1.362 3.792 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.703 -1.562 6.441 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.767 -3.539 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.751 -5.070 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.758 -3.609 5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.799 -3.773 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.230 -4.945 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.300 -3.657 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.006 -3.391 5.112 1.00 0.00 H new ATOM 937 N ILE A 62 -8.521 -1.036 5.350 1.00 0.00 N ATOM 938 CA ILE A 62 -7.306 -0.474 4.690 1.00 0.00 C ATOM 939 C ILE A 62 -6.025 -0.983 5.352 1.00 0.00 C ATOM 940 O ILE A 62 -6.028 -1.439 6.479 1.00 0.00 O ATOM 941 CB ILE A 62 -7.417 1.046 4.867 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.847 1.407 5.308 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.080 1.736 3.540 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.018 2.917 5.398 1.00 0.00 C ATOM 0 H ILE A 62 -8.432 -1.209 6.351 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.255 -0.771 3.643 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.716 1.383 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.566 0.996 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.060 0.954 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.158 2.816 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.064 1.477 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.778 1.406 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.036 3.150 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.313 3.320 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.828 3.364 4.422 1.00 0.00 H new ATOM 956 N ARG A 63 -4.927 -0.891 4.650 1.00 0.00 N ATOM 957 CA ARG A 63 -3.623 -1.348 5.211 1.00 0.00 C ATOM 958 C ARG A 63 -2.494 -0.986 4.241 1.00 0.00 C ATOM 959 O ARG A 63 -2.518 -1.363 3.084 1.00 0.00 O ATOM 960 CB ARG A 63 -3.748 -2.867 5.347 1.00 0.00 C ATOM 961 CG ARG A 63 -3.060 -3.326 6.635 1.00 0.00 C ATOM 962 CD ARG A 63 -1.568 -2.991 6.572 1.00 0.00 C ATOM 963 NE ARG A 63 -0.890 -4.098 7.302 1.00 0.00 N ATOM 964 CZ ARG A 63 0.407 -4.082 7.455 1.00 0.00 C ATOM 965 NH1 ARG A 63 1.015 -2.968 7.759 1.00 0.00 N ATOM 966 NH2 ARG A 63 1.095 -5.181 7.306 1.00 0.00 N ATOM 0 H ARG A 63 -4.878 -0.515 3.703 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.395 -0.880 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.799 -3.156 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.295 -3.358 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.516 -2.837 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.196 -4.399 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.221 -2.929 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.361 -2.027 7.037 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.439 -4.869 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.477 -2.109 7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.028 -2.956 7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.620 -6.052 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.108 -5.169 7.425 1.00 0.00 H new ATOM 980 N HIS A 64 -1.510 -0.253 4.693 1.00 0.00 N ATOM 981 CA HIS A 64 -0.393 0.130 3.778 1.00 0.00 C ATOM 982 C HIS A 64 0.802 -0.797 3.981 1.00 0.00 C ATOM 983 O HIS A 64 1.544 -0.664 4.935 1.00 0.00 O ATOM 984 CB HIS A 64 0.001 1.567 4.143 1.00 0.00 C ATOM 985 CG HIS A 64 -1.225 2.382 4.454 1.00 0.00 C ATOM 986 ND1 HIS A 64 -1.948 3.031 3.468 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.865 2.663 5.636 1.00 0.00 C ATOM 988 CE1 HIS A 64 -2.971 3.665 4.066 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.969 3.473 5.388 1.00 0.00 N ATOM 0 H HIS A 64 -1.431 0.095 5.649 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.703 0.053 2.736 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.670 1.560 5.004 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.549 2.022 3.318 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.742 3.028 2.469 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.558 2.309 6.609 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.706 4.258 3.541 1.00 0.00 H new ATOM 997 N TYR A 65 1.011 -1.716 3.082 1.00 0.00 N ATOM 998 CA TYR A 65 2.180 -2.626 3.217 1.00 0.00 C ATOM 999 C TYR A 65 3.419 -1.894 2.730 1.00 0.00 C ATOM 1000 O TYR A 65 3.478 -1.445 1.607 1.00 0.00 O ATOM 1001 CB TYR A 65 1.903 -3.810 2.301 1.00 0.00 C ATOM 1002 CG TYR A 65 0.484 -4.305 2.476 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.102 -4.340 3.749 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.243 -4.741 1.362 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.409 -4.812 3.906 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.551 -5.211 1.520 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.134 -5.248 2.791 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.424 -5.715 2.946 1.00 0.00 O ATOM 0 H TYR A 65 0.425 -1.876 2.262 1.00 0.00 H new ATOM 0 HA TYR A 65 2.335 -2.947 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.066 -3.519 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.604 -4.616 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.456 -4.002 4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.206 -4.714 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.859 -4.840 4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.111 -5.546 0.660 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.761 -5.458 3.830 1.00 0.00 H new ATOM 1018 N VAL A 66 4.405 -1.762 3.556 1.00 0.00 N ATOM 1019 CA VAL A 66 5.629 -1.041 3.115 1.00 0.00 C ATOM 1020 C VAL A 66 6.814 -1.995 3.057 1.00 0.00 C ATOM 1021 O VAL A 66 6.758 -3.103 3.552 1.00 0.00 O ATOM 1022 CB VAL A 66 5.880 0.041 4.164 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.005 0.959 3.677 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.605 0.864 4.384 1.00 0.00 C ATOM 0 H VAL A 66 4.423 -2.117 4.512 1.00 0.00 H new ATOM 0 HA VAL A 66 5.503 -0.616 2.119 1.00 0.00 H new ATOM 0 HB VAL A 66 6.166 -0.427 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.190 1.734 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.913 0.375 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.714 1.423 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.793 1.633 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.310 1.335 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.804 0.210 4.729 1.00 0.00 H new ATOM 1034 N VAL A 67 7.888 -1.572 2.460 1.00 0.00 N ATOM 1035 CA VAL A 67 9.077 -2.456 2.376 1.00 0.00 C ATOM 1036 C VAL A 67 10.250 -1.847 3.142 1.00 0.00 C ATOM 1037 O VAL A 67 10.591 -0.695 2.966 1.00 0.00 O ATOM 1038 CB VAL A 67 9.401 -2.548 0.888 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.626 -3.442 0.695 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.203 -3.146 0.142 1.00 0.00 C ATOM 0 H VAL A 67 7.994 -0.654 2.027 1.00 0.00 H new ATOM 0 HA VAL A 67 8.889 -3.436 2.814 1.00 0.00 H new ATOM 0 HB VAL A 67 9.610 -1.554 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.862 -3.511 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.475 -3.015 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.415 -4.438 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.433 -3.212 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.993 -4.142 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.330 -2.509 0.285 1.00 0.00 H new ATOM 1050 N CYS A 68 10.879 -2.623 3.976 1.00 0.00 N ATOM 1051 CA CYS A 68 12.046 -2.109 4.739 1.00 0.00 C ATOM 1052 C CYS A 68 13.321 -2.423 3.960 1.00 0.00 C ATOM 1053 O CYS A 68 13.331 -3.292 3.113 1.00 0.00 O ATOM 1054 CB CYS A 68 12.018 -2.860 6.070 1.00 0.00 C ATOM 1055 SG CYS A 68 13.252 -2.153 7.190 1.00 0.00 S ATOM 0 H CYS A 68 10.634 -3.595 4.163 1.00 0.00 H new ATOM 0 HA CYS A 68 12.013 -1.031 4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.026 -2.793 6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.223 -3.918 5.907 1.00 0.00 H new ATOM 0 HG CYS A 68 14.044 -3.093 7.612 1.00 0.00 H new ATOM 1061 N SER A 69 14.388 -1.718 4.214 1.00 0.00 N ATOM 1062 CA SER A 69 15.640 -1.982 3.456 1.00 0.00 C ATOM 1063 C SER A 69 16.839 -2.142 4.392 1.00 0.00 C ATOM 1064 O SER A 69 17.001 -1.412 5.349 1.00 0.00 O ATOM 1065 CB SER A 69 15.820 -0.746 2.582 1.00 0.00 C ATOM 1066 OG SER A 69 14.804 -0.720 1.588 1.00 0.00 O ATOM 0 H SER A 69 14.446 -0.975 4.910 1.00 0.00 H new ATOM 0 HA SER A 69 15.577 -2.907 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.770 0.155 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.804 -0.759 2.112 1.00 0.00 H new ATOM 0 HG SER A 69 15.199 -0.908 0.711 1.00 0.00 H new ATOM 1072 N THR A 70 17.693 -3.085 4.098 1.00 0.00 N ATOM 1073 CA THR A 70 18.909 -3.295 4.937 1.00 0.00 C ATOM 1074 C THR A 70 20.144 -2.876 4.119 1.00 0.00 C ATOM 1075 O THR A 70 20.087 -2.850 2.906 1.00 0.00 O ATOM 1076 CB THR A 70 18.915 -4.797 5.263 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.933 -5.076 6.212 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.165 -5.613 3.998 1.00 0.00 C ATOM 0 H THR A 70 17.600 -3.723 3.308 1.00 0.00 H new ATOM 0 HA THR A 70 18.918 -2.707 5.855 1.00 0.00 H new ATOM 0 HB THR A 70 17.944 -5.069 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.933 -6.034 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.167 -6.675 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.377 -5.410 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.130 -5.338 3.572 1.00 0.00 H new ATOM 1086 N PRO A 71 21.215 -2.524 4.795 1.00 0.00 N ATOM 1087 CA PRO A 71 22.439 -2.066 4.089 1.00 0.00 C ATOM 1088 C PRO A 71 23.070 -3.150 3.206 1.00 0.00 C ATOM 1089 O PRO A 71 24.083 -2.915 2.576 1.00 0.00 O ATOM 1090 CB PRO A 71 23.369 -1.676 5.241 1.00 0.00 C ATOM 1091 CG PRO A 71 22.638 -1.928 6.574 1.00 0.00 C ATOM 1092 CD PRO A 71 21.268 -2.552 6.276 1.00 0.00 C ATOM 0 HA PRO A 71 22.231 -1.254 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.289 -2.260 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.653 -0.627 5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.226 -2.593 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.516 -0.993 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.192 -3.567 6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.456 -1.978 6.722 1.00 0.00 H new ATOM 1100 N GLN A 72 22.492 -4.312 3.125 1.00 0.00 N ATOM 1101 CA GLN A 72 23.083 -5.359 2.247 1.00 0.00 C ATOM 1102 C GLN A 72 22.379 -5.325 0.883 1.00 0.00 C ATOM 1103 O GLN A 72 22.345 -6.301 0.163 1.00 0.00 O ATOM 1104 CB GLN A 72 22.830 -6.678 2.987 1.00 0.00 C ATOM 1105 CG GLN A 72 23.354 -7.863 2.166 1.00 0.00 C ATOM 1106 CD GLN A 72 24.824 -7.636 1.802 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.125 -6.961 0.836 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.757 -8.172 2.539 1.00 0.00 N ATOM 0 H GLN A 72 21.644 -4.583 3.623 1.00 0.00 H new ATOM 0 HA GLN A 72 24.147 -5.219 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.321 -6.656 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.763 -6.799 3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.250 -8.786 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.760 -7.980 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.505 -8.738 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.739 -8.025 2.305 1.00 0.00 H new ATOM 1117 N SER A 73 21.810 -4.193 0.525 1.00 0.00 N ATOM 1118 CA SER A 73 21.093 -4.084 -0.783 1.00 0.00 C ATOM 1119 C SER A 73 19.928 -5.070 -0.796 1.00 0.00 C ATOM 1120 O SER A 73 19.760 -5.840 -1.723 1.00 0.00 O ATOM 1121 CB SER A 73 22.126 -4.446 -1.852 1.00 0.00 C ATOM 1122 OG SER A 73 22.020 -3.532 -2.936 1.00 0.00 O ATOM 0 H SER A 73 21.814 -3.341 1.086 1.00 0.00 H new ATOM 0 HA SER A 73 20.685 -3.088 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.130 -4.412 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.962 -5.465 -2.203 1.00 0.00 H new ATOM 0 HG SER A 73 22.682 -3.760 -3.622 1.00 0.00 H new ATOM 1128 N GLN A 74 19.141 -5.070 0.246 1.00 0.00 N ATOM 1129 CA GLN A 74 17.999 -6.027 0.326 1.00 0.00 C ATOM 1130 C GLN A 74 16.743 -5.319 0.844 1.00 0.00 C ATOM 1131 O GLN A 74 16.796 -4.187 1.285 1.00 0.00 O ATOM 1132 CB GLN A 74 18.457 -7.102 1.317 1.00 0.00 C ATOM 1133 CG GLN A 74 19.988 -7.141 1.378 1.00 0.00 C ATOM 1134 CD GLN A 74 20.445 -8.473 1.976 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.516 -8.621 3.180 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.760 -9.457 1.178 1.00 0.00 N ATOM 0 H GLN A 74 19.240 -4.447 1.048 1.00 0.00 H new ATOM 0 HA GLN A 74 17.744 -6.447 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.051 -6.893 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.072 -8.076 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.405 -7.018 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.359 -6.313 1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.700 -9.333 0.167 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.066 -10.350 1.565 1.00 0.00 H new ATOM 1145 N TYR A 75 15.606 -5.969 0.774 1.00 0.00 N ATOM 1146 CA TYR A 75 14.338 -5.313 1.245 1.00 0.00 C ATOM 1147 C TYR A 75 13.368 -6.334 1.856 1.00 0.00 C ATOM 1148 O TYR A 75 13.439 -7.509 1.578 1.00 0.00 O ATOM 1149 CB TYR A 75 13.702 -4.708 -0.009 1.00 0.00 C ATOM 1150 CG TYR A 75 14.713 -3.887 -0.766 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.643 -4.516 -1.598 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.720 -2.496 -0.635 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.583 -3.758 -2.297 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.659 -1.735 -1.336 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.593 -2.365 -2.167 1.00 0.00 C ATOM 1156 OH TYR A 75 17.521 -1.613 -2.859 1.00 0.00 O ATOM 0 H TYR A 75 15.498 -6.918 0.415 1.00 0.00 H new ATOM 0 HA TYR A 75 14.552 -4.572 2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.317 -5.502 -0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.853 -4.084 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.634 -5.591 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.001 -2.010 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.302 -4.246 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.664 -0.660 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 75 17.389 -0.663 -2.657 1.00 0.00 H new ATOM 1166 N TYR A 76 12.440 -5.877 2.663 1.00 0.00 N ATOM 1167 CA TYR A 76 11.437 -6.807 3.286 1.00 0.00 C ATOM 1168 C TYR A 76 10.444 -6.034 4.162 1.00 0.00 C ATOM 1169 O TYR A 76 10.714 -4.939 4.604 1.00 0.00 O ATOM 1170 CB TYR A 76 12.246 -7.768 4.177 1.00 0.00 C ATOM 1171 CG TYR A 76 13.006 -6.988 5.229 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.356 -6.584 6.400 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.360 -6.687 5.045 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.054 -5.882 7.385 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.059 -5.980 6.030 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.407 -5.578 7.201 1.00 0.00 C ATOM 1177 OH TYR A 76 15.097 -4.884 8.174 1.00 0.00 O ATOM 0 H TYR A 76 12.332 -4.896 2.920 1.00 0.00 H new ATOM 0 HA TYR A 76 10.867 -7.329 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.576 -8.482 4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.942 -8.343 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.311 -6.816 6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.865 -7.000 4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.549 -5.574 8.289 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.103 -5.744 5.886 1.00 0.00 H new ATOM 0 HH TYR A 76 16.026 -4.757 7.889 1.00 0.00 H new ATOM 1187 N LEU A 77 9.327 -6.635 4.469 1.00 0.00 N ATOM 1188 CA LEU A 77 8.341 -5.978 5.380 1.00 0.00 C ATOM 1189 C LEU A 77 8.569 -6.580 6.769 1.00 0.00 C ATOM 1190 O LEU A 77 8.096 -6.095 7.777 1.00 0.00 O ATOM 1191 CB LEU A 77 6.959 -6.354 4.835 1.00 0.00 C ATOM 1192 CG LEU A 77 5.951 -5.250 5.171 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.974 -5.072 4.006 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.169 -5.634 6.430 1.00 0.00 C ATOM 0 H LEU A 77 9.052 -7.556 4.128 1.00 0.00 H new ATOM 0 HA LEU A 77 8.435 -4.894 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.010 -6.496 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.633 -7.300 5.266 1.00 0.00 H new ATOM 0 HG LEU A 77 6.487 -4.317 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.258 -4.286 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.526 -4.796 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.441 -6.007 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.453 -4.848 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.637 -6.569 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.860 -5.759 7.264 1.00 0.00 H new ATOM 1206 N ALA A 78 9.353 -7.625 6.790 1.00 0.00 N ATOM 1207 CA ALA A 78 9.739 -8.315 8.042 1.00 0.00 C ATOM 1208 C ALA A 78 11.103 -8.952 7.774 1.00 0.00 C ATOM 1209 O ALA A 78 11.262 -9.700 6.829 1.00 0.00 O ATOM 1210 CB ALA A 78 8.665 -9.380 8.276 1.00 0.00 C ATOM 0 H ALA A 78 9.755 -8.041 5.950 1.00 0.00 H new ATOM 0 HA ALA A 78 9.810 -7.665 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.891 -9.930 9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.691 -8.900 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.647 -10.070 7.433 1.00 0.00 H new ATOM 1216 N GLU A 79 12.098 -8.640 8.562 1.00 0.00 N ATOM 1217 CA GLU A 79 13.462 -9.207 8.312 1.00 0.00 C ATOM 1218 C GLU A 79 13.402 -10.720 8.088 1.00 0.00 C ATOM 1219 O GLU A 79 14.317 -11.310 7.547 1.00 0.00 O ATOM 1220 CB GLU A 79 14.270 -8.879 9.565 1.00 0.00 C ATOM 1221 CG GLU A 79 14.940 -7.517 9.389 1.00 0.00 C ATOM 1222 CD GLU A 79 15.956 -7.296 10.512 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.600 -7.518 11.658 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.072 -6.910 10.207 1.00 0.00 O ATOM 0 H GLU A 79 12.028 -8.018 9.368 1.00 0.00 H new ATOM 0 HA GLU A 79 13.911 -8.785 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.619 -8.867 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.023 -9.648 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.437 -7.467 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.190 -6.727 9.403 1.00 0.00 H new ATOM 1231 N LYS A 80 12.328 -11.344 8.492 1.00 0.00 N ATOM 1232 CA LYS A 80 12.185 -12.822 8.297 1.00 0.00 C ATOM 1233 C LYS A 80 12.668 -13.225 6.899 1.00 0.00 C ATOM 1234 O LYS A 80 13.289 -14.254 6.717 1.00 0.00 O ATOM 1235 CB LYS A 80 10.686 -13.085 8.429 1.00 0.00 C ATOM 1236 CG LYS A 80 10.368 -13.568 9.847 1.00 0.00 C ATOM 1237 CD LYS A 80 10.172 -15.087 9.842 1.00 0.00 C ATOM 1238 CE LYS A 80 11.462 -15.774 10.296 1.00 0.00 C ATOM 1239 NZ LYS A 80 12.084 -16.290 9.046 1.00 0.00 N ATOM 0 H LYS A 80 11.537 -10.893 8.952 1.00 0.00 H new ATOM 0 HA LYS A 80 12.774 -13.392 9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.127 -12.175 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.373 -13.834 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.179 -13.298 10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.468 -13.076 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.351 -15.360 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.901 -15.425 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.124 -15.074 10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.253 -16.583 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.939 -16.833 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.408 -16.906 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.340 -15.492 8.430 1.00 0.00 H new ATOM 1253 N HIS A 81 12.394 -12.409 5.917 1.00 0.00 N ATOM 1254 CA HIS A 81 12.839 -12.719 4.528 1.00 0.00 C ATOM 1255 C HIS A 81 12.962 -11.413 3.750 1.00 0.00 C ATOM 1256 O HIS A 81 12.169 -10.508 3.926 1.00 0.00 O ATOM 1257 CB HIS A 81 11.740 -13.598 3.934 1.00 0.00 C ATOM 1258 CG HIS A 81 11.822 -14.978 4.528 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.868 -15.461 5.410 1.00 0.00 N ATOM 1260 CD2 HIS A 81 12.740 -15.988 4.378 1.00 0.00 C ATOM 1261 CE1 HIS A 81 11.230 -16.711 5.754 1.00 0.00 C ATOM 1262 NE2 HIS A 81 12.364 -17.081 5.152 1.00 0.00 N ATOM 0 H HIS A 81 11.878 -11.535 6.018 1.00 0.00 H new ATOM 0 HA HIS A 81 13.805 -13.223 4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.762 -13.161 4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.848 -13.650 2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.620 -15.941 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.672 -17.338 6.434 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.850 -17.973 5.241 1.00 0.00 H new ATOM 1270 N LEU A 82 13.950 -11.287 2.908 1.00 0.00 N ATOM 1271 CA LEU A 82 14.102 -10.018 2.159 1.00 0.00 C ATOM 1272 C LEU A 82 14.707 -10.264 0.774 1.00 0.00 C ATOM 1273 O LEU A 82 15.566 -11.104 0.596 1.00 0.00 O ATOM 1274 CB LEU A 82 15.025 -9.160 3.037 1.00 0.00 C ATOM 1275 CG LEU A 82 16.417 -9.777 3.112 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.394 -8.743 3.675 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.403 -11.003 4.033 1.00 0.00 C ATOM 0 H LEU A 82 14.650 -12.002 2.710 1.00 0.00 H new ATOM 0 HA LEU A 82 13.146 -9.527 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.090 -8.151 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.605 -9.073 4.039 1.00 0.00 H new ATOM 0 HG LEU A 82 16.725 -10.083 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.392 -9.178 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.415 -7.870 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.072 -8.443 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.403 -11.435 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.091 -10.703 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.705 -11.744 3.642 1.00 0.00 H new ATOM 1289 N PHE A 83 14.257 -9.528 -0.207 1.00 0.00 N ATOM 1290 CA PHE A 83 14.792 -9.700 -1.587 1.00 0.00 C ATOM 1291 C PHE A 83 15.624 -8.473 -1.971 1.00 0.00 C ATOM 1292 O PHE A 83 16.068 -7.730 -1.118 1.00 0.00 O ATOM 1293 CB PHE A 83 13.555 -9.830 -2.477 1.00 0.00 C ATOM 1294 CG PHE A 83 12.966 -11.210 -2.308 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.299 -11.546 -1.124 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.093 -12.155 -3.333 1.00 0.00 C ATOM 1297 CE1 PHE A 83 11.757 -12.826 -0.965 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.551 -13.435 -3.174 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.883 -13.771 -1.990 1.00 0.00 C ATOM 0 H PHE A 83 13.538 -8.811 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 83 15.444 -10.568 -1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.819 -9.072 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.823 -9.661 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.203 -10.817 -0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.609 -11.896 -4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.242 -13.085 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.648 -14.164 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.465 -14.759 -1.868 1.00 0.00 H new ATOM 1309 N SER A 84 15.846 -8.257 -3.240 1.00 0.00 N ATOM 1310 CA SER A 84 16.662 -7.078 -3.655 1.00 0.00 C ATOM 1311 C SER A 84 15.768 -5.941 -4.172 1.00 0.00 C ATOM 1312 O SER A 84 16.256 -4.940 -4.659 1.00 0.00 O ATOM 1313 CB SER A 84 17.568 -7.597 -4.771 1.00 0.00 C ATOM 1314 OG SER A 84 18.922 -7.530 -4.346 1.00 0.00 O ATOM 0 H SER A 84 15.501 -8.840 -4.002 1.00 0.00 H new ATOM 0 HA SER A 84 17.229 -6.666 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.304 -8.624 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.429 -7.003 -5.674 1.00 0.00 H new ATOM 0 HG SER A 84 19.506 -7.864 -5.059 1.00 0.00 H new ATOM 1320 N THR A 85 14.466 -6.074 -4.070 1.00 0.00 N ATOM 1321 CA THR A 85 13.561 -4.981 -4.552 1.00 0.00 C ATOM 1322 C THR A 85 12.126 -5.211 -4.060 1.00 0.00 C ATOM 1323 O THR A 85 11.752 -6.313 -3.694 1.00 0.00 O ATOM 1324 CB THR A 85 13.594 -5.037 -6.086 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.879 -5.436 -6.539 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.263 -3.653 -6.648 1.00 0.00 C ATOM 0 H THR A 85 13.993 -6.887 -3.676 1.00 0.00 H new ATOM 0 HA THR A 85 13.889 -4.012 -4.175 1.00 0.00 H new ATOM 0 HB THR A 85 12.859 -5.764 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.558 -4.832 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.285 -3.688 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.269 -3.353 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.998 -2.931 -6.293 1.00 0.00 H new ATOM 1334 N ILE A 86 11.315 -4.181 -4.064 1.00 0.00 N ATOM 1335 CA ILE A 86 9.904 -4.343 -3.610 1.00 0.00 C ATOM 1336 C ILE A 86 9.147 -5.325 -4.528 1.00 0.00 C ATOM 1337 O ILE A 86 8.571 -6.278 -4.042 1.00 0.00 O ATOM 1338 CB ILE A 86 9.304 -2.933 -3.664 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.677 -2.185 -2.381 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.777 -3.007 -3.779 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.878 -1.274 -2.645 1.00 0.00 C ATOM 0 H ILE A 86 11.571 -3.239 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 86 9.835 -4.763 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 86 9.698 -2.410 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.830 -1.594 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.915 -2.896 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.366 -1.998 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.506 -3.543 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.372 -3.532 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.140 -0.743 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.726 -1.876 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.624 -0.553 -3.422 1.00 0.00 H new ATOM 1353 N PRO A 87 9.169 -5.086 -5.829 1.00 0.00 N ATOM 1354 CA PRO A 87 8.470 -5.999 -6.766 1.00 0.00 C ATOM 1355 C PRO A 87 8.959 -7.432 -6.558 1.00 0.00 C ATOM 1356 O PRO A 87 8.203 -8.379 -6.663 1.00 0.00 O ATOM 1357 CB PRO A 87 8.878 -5.456 -8.139 1.00 0.00 C ATOM 1358 CG PRO A 87 9.797 -4.238 -7.932 1.00 0.00 C ATOM 1359 CD PRO A 87 9.874 -3.929 -6.431 1.00 0.00 C ATOM 0 HA PRO A 87 7.388 -6.032 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.394 -6.226 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.995 -5.171 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.792 -4.444 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.410 -3.376 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.905 -3.856 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.388 -2.985 -6.186 1.00 0.00 H new ATOM 1367 N GLU A 88 10.216 -7.594 -6.238 1.00 0.00 N ATOM 1368 CA GLU A 88 10.749 -8.963 -5.995 1.00 0.00 C ATOM 1369 C GLU A 88 10.044 -9.561 -4.779 1.00 0.00 C ATOM 1370 O GLU A 88 9.646 -10.709 -4.778 1.00 0.00 O ATOM 1371 CB GLU A 88 12.241 -8.772 -5.715 1.00 0.00 C ATOM 1372 CG GLU A 88 12.996 -10.051 -6.079 1.00 0.00 C ATOM 1373 CD GLU A 88 13.363 -10.021 -7.564 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.576 -9.502 -8.338 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.425 -10.518 -7.902 1.00 0.00 O ATOM 0 H GLU A 88 10.894 -6.839 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 88 10.588 -9.636 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.626 -7.933 -6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.397 -8.532 -4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.897 -10.139 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.380 -10.924 -5.863 1.00 0.00 H new ATOM 1382 N LEU A 89 9.870 -8.775 -3.747 1.00 0.00 N ATOM 1383 CA LEU A 89 9.171 -9.279 -2.527 1.00 0.00 C ATOM 1384 C LEU A 89 7.715 -9.614 -2.862 1.00 0.00 C ATOM 1385 O LEU A 89 7.250 -10.714 -2.631 1.00 0.00 O ATOM 1386 CB LEU A 89 9.227 -8.121 -1.531 1.00 0.00 C ATOM 1387 CG LEU A 89 10.433 -8.291 -0.607 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.997 -6.914 -0.249 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.998 -9.013 0.671 1.00 0.00 C ATOM 0 H LEU A 89 10.182 -7.805 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 89 9.632 -10.184 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.297 -7.173 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.309 -8.089 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 89 11.200 -8.878 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.857 -7.033 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.306 -6.399 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.231 -6.327 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.857 -9.135 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.232 -8.426 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.595 -9.993 0.416 1.00 0.00 H new ATOM 1401 N ILE A 90 6.991 -8.668 -3.405 1.00 0.00 N ATOM 1402 CA ILE A 90 5.558 -8.916 -3.757 1.00 0.00 C ATOM 1403 C ILE A 90 5.422 -10.210 -4.567 1.00 0.00 C ATOM 1404 O ILE A 90 4.663 -11.093 -4.218 1.00 0.00 O ATOM 1405 CB ILE A 90 5.136 -7.706 -4.599 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.276 -6.420 -3.775 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.678 -7.869 -5.034 1.00 0.00 C ATOM 1408 CD1 ILE A 90 4.475 -6.544 -2.476 1.00 0.00 C ATOM 0 H ILE A 90 7.331 -7.731 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 90 4.934 -9.032 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 90 5.778 -7.643 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.326 -6.235 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.919 -5.567 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.379 -7.009 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.575 -8.777 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.041 -7.937 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.579 -5.627 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.423 -6.707 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.852 -7.386 -1.895 1.00 0.00 H new ATOM 1420 N ASN A 91 6.154 -10.330 -5.643 1.00 0.00 N ATOM 1421 CA ASN A 91 6.067 -11.572 -6.469 1.00 0.00 C ATOM 1422 C ASN A 91 6.408 -12.793 -5.611 1.00 0.00 C ATOM 1423 O ASN A 91 5.742 -13.808 -5.663 1.00 0.00 O ATOM 1424 CB ASN A 91 7.105 -11.387 -7.577 1.00 0.00 C ATOM 1425 CG ASN A 91 6.598 -12.039 -8.866 1.00 0.00 C ATOM 1426 OD1 ASN A 91 7.195 -12.972 -9.364 1.00 0.00 O ATOM 1427 ND2 ASN A 91 5.513 -11.584 -9.429 1.00 0.00 N ATOM 0 H ASN A 91 6.807 -9.625 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 91 5.068 -11.733 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.291 -10.326 -7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.054 -11.834 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.166 -12.012 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.012 -10.800 -9.011 1.00 0.00 H new ATOM 1434 N TYR A 92 7.440 -12.695 -4.816 1.00 0.00 N ATOM 1435 CA TYR A 92 7.833 -13.842 -3.943 1.00 0.00 C ATOM 1436 C TYR A 92 6.674 -14.210 -3.005 1.00 0.00 C ATOM 1437 O TYR A 92 6.573 -15.329 -2.541 1.00 0.00 O ATOM 1438 CB TYR A 92 9.064 -13.339 -3.166 1.00 0.00 C ATOM 1439 CG TYR A 92 8.914 -13.598 -1.682 1.00 0.00 C ATOM 1440 CD1 TYR A 92 8.951 -14.907 -1.191 1.00 0.00 C ATOM 1441 CD2 TYR A 92 8.740 -12.524 -0.801 1.00 0.00 C ATOM 1442 CE1 TYR A 92 8.814 -15.143 0.181 1.00 0.00 C ATOM 1443 CE2 TYR A 92 8.603 -12.760 0.571 1.00 0.00 C ATOM 1444 CZ TYR A 92 8.639 -14.069 1.063 1.00 0.00 C ATOM 1445 OH TYR A 92 8.504 -14.303 2.418 1.00 0.00 O ATOM 0 H TYR A 92 8.030 -11.867 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 92 8.064 -14.747 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.960 -13.837 -3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.197 -12.271 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.085 -15.735 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.712 -11.513 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.843 -16.154 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.469 -11.931 1.251 1.00 0.00 H new ATOM 0 HH TYR A 92 8.392 -13.450 2.888 1.00 0.00 H new ATOM 1455 N HIS A 93 5.803 -13.277 -2.725 1.00 0.00 N ATOM 1456 CA HIS A 93 4.654 -13.576 -1.821 1.00 0.00 C ATOM 1457 C HIS A 93 3.687 -14.549 -2.504 1.00 0.00 C ATOM 1458 O HIS A 93 3.173 -15.461 -1.887 1.00 0.00 O ATOM 1459 CB HIS A 93 3.975 -12.227 -1.577 1.00 0.00 C ATOM 1460 CG HIS A 93 2.940 -12.376 -0.496 1.00 0.00 C ATOM 1461 ND1 HIS A 93 3.149 -11.918 0.795 1.00 0.00 N ATOM 1462 CD2 HIS A 93 1.685 -12.931 -0.499 1.00 0.00 C ATOM 1463 CE1 HIS A 93 2.045 -12.203 1.510 1.00 0.00 C ATOM 1464 NE2 HIS A 93 1.120 -12.821 0.769 1.00 0.00 N ATOM 0 H HIS A 93 5.837 -12.322 -3.083 1.00 0.00 H new ATOM 0 HA HIS A 93 4.973 -14.043 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.716 -11.482 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.509 -11.871 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.208 -13.384 -1.355 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.921 -11.962 2.555 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.199 -13.143 1.068 1.00 0.00 H new ATOM 1472 N GLN A 94 3.436 -14.358 -3.772 1.00 0.00 N ATOM 1473 CA GLN A 94 2.501 -15.269 -4.496 1.00 0.00 C ATOM 1474 C GLN A 94 3.285 -16.273 -5.345 1.00 0.00 C ATOM 1475 O GLN A 94 3.185 -17.470 -5.156 1.00 0.00 O ATOM 1476 CB GLN A 94 1.666 -14.350 -5.389 1.00 0.00 C ATOM 1477 CG GLN A 94 0.471 -15.128 -5.945 1.00 0.00 C ATOM 1478 CD GLN A 94 -0.535 -15.390 -4.824 1.00 0.00 C ATOM 1479 OE1 GLN A 94 -1.140 -14.472 -4.307 1.00 0.00 O ATOM 1480 NE2 GLN A 94 -0.742 -16.615 -4.424 1.00 0.00 N ATOM 0 H GLN A 94 3.838 -13.611 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 94 1.881 -15.850 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.319 -13.488 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.276 -13.967 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.002 -14.563 -6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.806 -16.072 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.234 -17.386 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.412 -16.801 -3.678 1.00 0.00 H new ATOM 1489 N HIS A 95 4.064 -15.797 -6.284 1.00 0.00 N ATOM 1490 CA HIS A 95 4.856 -16.722 -7.152 1.00 0.00 C ATOM 1491 C HIS A 95 3.947 -17.795 -7.762 1.00 0.00 C ATOM 1492 O HIS A 95 4.036 -18.961 -7.428 1.00 0.00 O ATOM 1493 CB HIS A 95 5.893 -17.359 -6.222 1.00 0.00 C ATOM 1494 CG HIS A 95 7.223 -16.679 -6.409 1.00 0.00 C ATOM 1495 ND1 HIS A 95 7.331 -15.391 -6.907 1.00 0.00 N ATOM 1496 CD2 HIS A 95 8.508 -17.097 -6.169 1.00 0.00 C ATOM 1497 CE1 HIS A 95 8.638 -15.080 -6.948 1.00 0.00 C ATOM 1498 NE2 HIS A 95 9.401 -16.086 -6.510 1.00 0.00 N ATOM 0 H HIS A 95 4.186 -14.805 -6.487 1.00 0.00 H new ATOM 0 HA HIS A 95 5.326 -16.198 -7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.570 -17.270 -5.185 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.984 -18.424 -6.437 1.00 0.00 H new ATOM 0 HD1 HIS A 95 6.559 -14.788 -7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.784 -18.064 -5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.025 -14.132 -7.293 1.00 0.00 H new ATOM 1506 N ASN A 96 3.073 -17.409 -8.652 1.00 0.00 N ATOM 1507 CA ASN A 96 2.158 -18.404 -9.284 1.00 0.00 C ATOM 1508 C ASN A 96 2.410 -18.484 -10.794 1.00 0.00 C ATOM 1509 O ASN A 96 2.018 -19.433 -11.446 1.00 0.00 O ATOM 1510 CB ASN A 96 0.748 -17.879 -9.004 1.00 0.00 C ATOM 1511 CG ASN A 96 -0.218 -19.057 -8.845 1.00 0.00 C ATOM 1512 OD1 ASN A 96 0.171 -20.202 -8.983 1.00 0.00 O ATOM 1513 ND2 ASN A 96 -1.468 -18.825 -8.557 1.00 0.00 N ATOM 0 H ASN A 96 2.953 -16.447 -8.969 1.00 0.00 H new ATOM 0 HA ASN A 96 2.309 -19.408 -8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.749 -17.272 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.420 -17.235 -9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.119 -19.603 -8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.795 -17.866 -8.441 1.00 0.00 H new ATOM 1520 N SER A 97 3.059 -17.498 -11.357 1.00 0.00 N ATOM 1521 CA SER A 97 3.331 -17.522 -12.825 1.00 0.00 C ATOM 1522 C SER A 97 4.677 -16.857 -13.128 1.00 0.00 C ATOM 1523 O SER A 97 5.547 -16.782 -12.282 1.00 0.00 O ATOM 1524 CB SER A 97 2.184 -16.730 -13.453 1.00 0.00 C ATOM 1525 OG SER A 97 1.568 -17.517 -14.463 1.00 0.00 O ATOM 0 H SER A 97 3.412 -16.678 -10.864 1.00 0.00 H new ATOM 0 HA SER A 97 3.387 -18.537 -13.218 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.453 -16.459 -12.691 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.560 -15.800 -13.879 1.00 0.00 H new ATOM 0 HG SER A 97 0.831 -17.013 -14.867 1.00 0.00 H new ATOM 1531 N ALA A 98 4.855 -16.378 -14.330 1.00 0.00 N ATOM 1532 CA ALA A 98 6.144 -15.718 -14.693 1.00 0.00 C ATOM 1533 C ALA A 98 6.168 -14.280 -14.168 1.00 0.00 C ATOM 1534 O ALA A 98 5.473 -13.939 -13.230 1.00 0.00 O ATOM 1535 CB ALA A 98 6.181 -15.733 -16.221 1.00 0.00 C ATOM 0 H ALA A 98 4.162 -16.415 -15.078 1.00 0.00 H new ATOM 0 HA ALA A 98 7.005 -16.228 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.102 -15.263 -16.567 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.143 -16.763 -16.576 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.324 -15.183 -16.611 1.00 0.00 H new ATOM 1541 N GLY A 99 6.965 -13.433 -14.765 1.00 0.00 N ATOM 1542 CA GLY A 99 7.036 -12.017 -14.304 1.00 0.00 C ATOM 1543 C GLY A 99 5.905 -11.211 -14.944 1.00 0.00 C ATOM 1544 O GLY A 99 6.137 -10.218 -15.606 1.00 0.00 O ATOM 0 H GLY A 99 7.570 -13.662 -15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.957 -11.973 -13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.000 -11.585 -14.571 1.00 0.00 H new ATOM 1548 N LEU A 100 4.683 -11.627 -14.748 1.00 0.00 N ATOM 1549 CA LEU A 100 3.533 -10.885 -15.341 1.00 0.00 C ATOM 1550 C LEU A 100 3.183 -9.675 -14.464 1.00 0.00 C ATOM 1551 O LEU A 100 4.051 -9.054 -13.883 1.00 0.00 O ATOM 1552 CB LEU A 100 2.385 -11.897 -15.365 1.00 0.00 C ATOM 1553 CG LEU A 100 1.509 -11.649 -16.594 1.00 0.00 C ATOM 1554 CD1 LEU A 100 2.221 -12.170 -17.843 1.00 0.00 C ATOM 1555 CD2 LEU A 100 0.176 -12.381 -16.426 1.00 0.00 C ATOM 0 H LEU A 100 4.431 -12.451 -14.202 1.00 0.00 H new ATOM 0 HA LEU A 100 3.749 -10.498 -16.337 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.782 -12.912 -15.387 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.789 -11.808 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 100 1.327 -10.579 -16.699 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.596 -11.993 -18.718 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.171 -11.650 -17.964 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.404 -13.239 -17.738 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.449 -12.205 -17.302 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.359 -13.450 -16.320 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.333 -12.010 -15.536 1.00 0.00 H new ATOM 1567 N ILE A 101 1.922 -9.335 -14.363 1.00 0.00 N ATOM 1568 CA ILE A 101 1.525 -8.164 -13.521 1.00 0.00 C ATOM 1569 C ILE A 101 2.125 -8.290 -12.116 1.00 0.00 C ATOM 1570 O ILE A 101 2.631 -9.329 -11.740 1.00 0.00 O ATOM 1571 CB ILE A 101 -0.006 -8.219 -13.460 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -0.580 -8.140 -14.881 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -0.528 -7.041 -12.634 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -1.319 -9.439 -15.209 1.00 0.00 C ATOM 0 H ILE A 101 1.151 -9.817 -14.826 1.00 0.00 H new ATOM 0 HA ILE A 101 1.883 -7.221 -13.933 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.316 -9.155 -12.995 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.260 -7.292 -14.963 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.223 -7.975 -15.600 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.616 -7.081 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.123 -7.097 -11.624 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.217 -6.105 -13.098 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.726 -9.381 -16.219 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.626 -10.278 -15.145 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.132 -9.585 -14.498 1.00 0.00 H new ATOM 1586 N SER A 102 2.076 -7.239 -11.340 1.00 0.00 N ATOM 1587 CA SER A 102 2.649 -7.298 -9.963 1.00 0.00 C ATOM 1588 C SER A 102 1.568 -7.686 -8.948 1.00 0.00 C ATOM 1589 O SER A 102 1.541 -7.189 -7.838 1.00 0.00 O ATOM 1590 CB SER A 102 3.159 -5.885 -9.688 1.00 0.00 C ATOM 1591 OG SER A 102 4.382 -5.959 -8.968 1.00 0.00 O ATOM 0 H SER A 102 1.664 -6.343 -11.600 1.00 0.00 H new ATOM 0 HA SER A 102 3.440 -8.043 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.308 -5.351 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.420 -5.324 -9.116 1.00 0.00 H new ATOM 0 HG SER A 102 4.713 -5.054 -8.791 1.00 0.00 H new ATOM 1597 N ARG A 103 0.679 -8.572 -9.318 1.00 0.00 N ATOM 1598 CA ARG A 103 -0.401 -9.000 -8.376 1.00 0.00 C ATOM 1599 C ARG A 103 -1.125 -7.781 -7.794 1.00 0.00 C ATOM 1600 O ARG A 103 -1.013 -7.484 -6.621 1.00 0.00 O ATOM 1601 CB ARG A 103 0.318 -9.777 -7.271 1.00 0.00 C ATOM 1602 CG ARG A 103 -0.709 -10.334 -6.281 1.00 0.00 C ATOM 1603 CD ARG A 103 -0.477 -11.837 -6.086 1.00 0.00 C ATOM 1604 NE ARG A 103 -1.589 -12.496 -6.827 1.00 0.00 N ATOM 1605 CZ ARG A 103 -2.797 -12.484 -6.336 1.00 0.00 C ATOM 1606 NH1 ARG A 103 -3.002 -12.846 -5.099 1.00 0.00 N ATOM 1607 NH2 ARG A 103 -3.800 -12.110 -7.081 1.00 0.00 N ATOM 0 H ARG A 103 0.654 -9.019 -10.234 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.159 -9.605 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 103 0.899 -10.591 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.021 -9.125 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.625 -9.816 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.719 -10.157 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.494 -12.141 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.493 -12.105 -5.030 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.405 -12.957 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.217 -13.138 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.947 -12.837 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.640 -11.827 -8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.745 -12.101 -6.697 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.865 -7.075 -8.607 1.00 0.00 N ATOM 1622 CA LEU A 104 -2.597 -5.877 -8.101 1.00 0.00 C ATOM 1623 C LEU A 104 -4.094 -6.178 -7.998 1.00 0.00 C ATOM 1624 O LEU A 104 -4.557 -7.218 -8.422 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.341 -4.786 -9.140 1.00 0.00 C ATOM 1626 CG LEU A 104 -2.706 -3.422 -8.551 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -1.651 -2.390 -8.954 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -4.073 -2.984 -9.082 1.00 0.00 C ATOM 0 H LEU A 104 -1.994 -7.276 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.263 -5.579 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.293 -4.795 -9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.932 -4.977 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.744 -3.498 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.913 -1.419 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.677 -2.699 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.611 -2.316 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.332 -2.012 -8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.035 -2.911 -10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.827 -3.717 -8.794 1.00 0.00 H new ATOM 1640 N LYS A 105 -4.854 -5.275 -7.436 1.00 0.00 N ATOM 1641 CA LYS A 105 -6.321 -5.513 -7.306 1.00 0.00 C ATOM 1642 C LYS A 105 -7.106 -4.431 -8.060 1.00 0.00 C ATOM 1643 O LYS A 105 -7.495 -4.626 -9.196 1.00 0.00 O ATOM 1644 CB LYS A 105 -6.600 -5.450 -5.807 1.00 0.00 C ATOM 1645 CG LYS A 105 -6.133 -6.748 -5.144 1.00 0.00 C ATOM 1646 CD LYS A 105 -5.627 -6.448 -3.731 1.00 0.00 C ATOM 1647 CE LYS A 105 -6.003 -7.600 -2.797 1.00 0.00 C ATOM 1648 NZ LYS A 105 -5.245 -8.774 -3.310 1.00 0.00 N ATOM 0 H LYS A 105 -4.523 -4.385 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.626 -6.469 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.083 -4.598 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.666 -5.302 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.954 -7.464 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.340 -7.206 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.545 -6.313 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.061 -5.516 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.733 -7.376 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.077 -7.786 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.200 -9.507 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.724 -9.156 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.281 -8.480 -3.565 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.350 -3.295 -7.450 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.112 -2.229 -8.162 1.00 0.00 C ATOM 1664 C TYR A 106 -7.313 -0.913 -8.181 1.00 0.00 C ATOM 1665 O TYR A 106 -7.113 -0.305 -7.150 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.403 -2.060 -7.363 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.398 -1.301 -8.201 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -10.160 0.040 -8.517 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.549 -1.938 -8.668 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -11.078 0.748 -9.301 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.469 -1.233 -9.453 1.00 0.00 C ATOM 1672 CZ TYR A 106 -12.233 0.111 -9.769 1.00 0.00 C ATOM 1673 OH TYR A 106 -13.139 0.807 -10.544 1.00 0.00 O ATOM 0 H TYR A 106 -7.057 -3.065 -6.501 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.306 -2.493 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.807 -3.034 -7.088 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.205 -1.524 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.268 0.530 -8.156 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.730 -2.974 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.895 1.784 -9.544 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.360 -1.725 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.748 0.176 -10.981 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.878 -0.511 -9.358 1.00 0.00 N ATOM 1684 CA PRO A 107 -6.096 0.743 -9.498 1.00 0.00 C ATOM 1685 C PRO A 107 -6.934 1.972 -9.131 1.00 0.00 C ATOM 1686 O PRO A 107 -7.339 2.736 -9.985 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.732 0.752 -10.985 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.330 -0.503 -11.650 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.130 -1.283 -10.600 1.00 0.00 C ATOM 0 HA PRO A 107 -5.230 0.781 -8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.118 1.653 -11.463 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.649 0.765 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.975 -0.219 -12.482 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.536 -1.127 -12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.191 -1.320 -10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.787 -2.314 -10.513 1.00 0.00 H new ATOM 1697 N VAL A 108 -7.182 2.177 -7.868 1.00 0.00 N ATOM 1698 CA VAL A 108 -7.966 3.366 -7.447 1.00 0.00 C ATOM 1699 C VAL A 108 -7.121 4.237 -6.511 1.00 0.00 C ATOM 1700 O VAL A 108 -7.256 4.182 -5.304 1.00 0.00 O ATOM 1701 CB VAL A 108 -9.181 2.796 -6.716 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -8.728 1.973 -5.503 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -10.081 3.943 -6.252 1.00 0.00 C ATOM 0 H VAL A 108 -6.874 1.570 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.262 3.996 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.735 2.149 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.601 1.571 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.094 1.152 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.166 2.610 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.948 3.537 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.523 4.593 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.414 4.517 -7.117 1.00 0.00 H new ATOM 1713 N SER A 109 -6.242 5.033 -7.056 1.00 0.00 N ATOM 1714 CA SER A 109 -5.387 5.890 -6.192 1.00 0.00 C ATOM 1715 C SER A 109 -5.960 7.294 -6.082 1.00 0.00 C ATOM 1716 O SER A 109 -6.848 7.681 -6.815 1.00 0.00 O ATOM 1717 CB SER A 109 -4.031 5.943 -6.884 1.00 0.00 C ATOM 1718 OG SER A 109 -3.321 4.744 -6.619 1.00 0.00 O ATOM 0 H SER A 109 -6.080 5.126 -8.059 1.00 0.00 H new ATOM 0 HA SER A 109 -5.322 5.489 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.163 6.071 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.462 6.802 -6.528 1.00 0.00 H new ATOM 0 HG SER A 109 -2.370 4.947 -6.501 1.00 0.00 H new ATOM 1724 N GLN A 110 -5.434 8.058 -5.170 1.00 0.00 N ATOM 1725 CA GLN A 110 -5.902 9.456 -4.983 1.00 0.00 C ATOM 1726 C GLN A 110 -7.432 9.514 -4.914 1.00 0.00 C ATOM 1727 O GLN A 110 -8.100 8.502 -4.846 1.00 0.00 O ATOM 1728 CB GLN A 110 -5.395 10.218 -6.212 1.00 0.00 C ATOM 1729 CG GLN A 110 -3.947 9.820 -6.526 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.109 11.078 -6.764 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -3.619 12.086 -7.208 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -1.835 11.060 -6.485 1.00 0.00 N ATOM 0 H GLN A 110 -4.689 7.769 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.530 9.884 -4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.032 10.003 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.453 11.291 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.530 9.244 -5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.918 9.179 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.407 10.213 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.267 11.893 -6.640 1.00 0.00 H new ATOM 1741 N GLN A 111 -7.986 10.696 -4.936 1.00 0.00 N ATOM 1742 CA GLN A 111 -9.467 10.831 -4.879 1.00 0.00 C ATOM 1743 C GLN A 111 -10.090 10.287 -6.176 1.00 0.00 C ATOM 1744 O GLN A 111 -9.689 9.250 -6.669 1.00 0.00 O ATOM 1745 CB GLN A 111 -9.720 12.335 -4.725 1.00 0.00 C ATOM 1746 CG GLN A 111 -9.001 12.856 -3.474 1.00 0.00 C ATOM 1747 CD GLN A 111 -10.026 13.433 -2.495 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -10.348 14.603 -2.556 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -10.554 12.657 -1.588 1.00 0.00 N ATOM 0 H GLN A 111 -7.473 11.576 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.913 10.268 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.364 12.866 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -10.790 12.527 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.445 12.048 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.277 13.622 -3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.284 11.675 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.237 13.033 -0.930 1.00 0.00 H new ATOM 1758 N ASN A 112 -11.071 10.965 -6.727 1.00 0.00 N ATOM 1759 CA ASN A 112 -11.721 10.480 -7.984 1.00 0.00 C ATOM 1760 C ASN A 112 -12.468 9.180 -7.699 1.00 0.00 C ATOM 1761 O ASN A 112 -12.214 8.155 -8.303 1.00 0.00 O ATOM 1762 CB ASN A 112 -10.583 10.249 -8.985 1.00 0.00 C ATOM 1763 CG ASN A 112 -10.997 10.773 -10.362 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -11.340 10.006 -11.239 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -10.979 12.058 -10.590 1.00 0.00 N ATOM 0 H ASN A 112 -11.449 11.837 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 112 -12.444 11.194 -8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.680 10.757 -8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -10.348 9.186 -9.045 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.253 12.418 -11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.691 12.703 -9.854 1.00 0.00 H new ATOM 1772 N LYS A 113 -13.381 9.219 -6.769 1.00 0.00 N ATOM 1773 CA LYS A 113 -14.151 7.992 -6.419 1.00 0.00 C ATOM 1774 C LYS A 113 -15.269 7.759 -7.439 1.00 0.00 C ATOM 1775 O LYS A 113 -16.401 8.146 -7.227 1.00 0.00 O ATOM 1776 CB LYS A 113 -14.738 8.274 -5.036 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.615 8.657 -4.068 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.669 7.466 -3.881 1.00 0.00 C ATOM 1779 CE LYS A 113 -11.235 7.880 -4.226 1.00 0.00 C ATOM 1780 NZ LYS A 113 -10.901 7.129 -5.468 1.00 0.00 N ATOM 0 H LYS A 113 -13.628 10.051 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.527 7.098 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.469 9.080 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.265 7.394 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -13.064 9.514 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -14.035 8.955 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.717 7.111 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.981 6.639 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.163 8.956 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.548 7.630 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.149 7.629 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.574 6.174 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.746 7.059 -6.070 1.00 0.00 H new ATOM 1794 N ASN A 114 -14.962 7.135 -8.544 1.00 0.00 N ATOM 1795 CA ASN A 114 -16.012 6.885 -9.576 1.00 0.00 C ATOM 1796 C ASN A 114 -15.671 5.638 -10.397 1.00 0.00 C ATOM 1797 O ASN A 114 -16.264 4.590 -10.227 1.00 0.00 O ATOM 1798 CB ASN A 114 -16.004 8.131 -10.459 1.00 0.00 C ATOM 1799 CG ASN A 114 -17.370 8.818 -10.394 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -17.727 9.394 -9.386 1.00 0.00 O ATOM 1801 ND2 ASN A 114 -18.155 8.781 -11.437 1.00 0.00 N ATOM 0 H ASN A 114 -14.032 6.788 -8.778 1.00 0.00 H new ATOM 0 HA ASN A 114 -16.991 6.707 -9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -15.225 8.818 -10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -15.772 7.858 -11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.067 9.236 -11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -17.856 8.297 -12.284 1.00 0.00 H new ATOM 1808 N ALA A 115 -14.722 5.743 -11.292 1.00 0.00 N ATOM 1809 CA ALA A 115 -14.340 4.567 -12.132 1.00 0.00 C ATOM 1810 C ALA A 115 -15.577 3.988 -12.834 1.00 0.00 C ATOM 1811 O ALA A 115 -16.072 2.946 -12.451 1.00 0.00 O ATOM 1812 CB ALA A 115 -13.749 3.549 -11.154 1.00 0.00 C ATOM 0 H ALA A 115 -14.193 6.595 -11.478 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.630 4.836 -12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.444 2.655 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -12.882 3.984 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.499 3.282 -10.409 1.00 0.00 H new ATOM 1818 N PRO A 116 -16.042 4.684 -13.846 1.00 0.00 N ATOM 1819 CA PRO A 116 -17.232 4.229 -14.604 1.00 0.00 C ATOM 1820 C PRO A 116 -16.964 2.874 -15.267 1.00 0.00 C ATOM 1821 O PRO A 116 -17.813 2.004 -15.287 1.00 0.00 O ATOM 1822 CB PRO A 116 -17.407 5.331 -15.653 1.00 0.00 C ATOM 1823 CG PRO A 116 -16.299 6.385 -15.456 1.00 0.00 C ATOM 1824 CD PRO A 116 -15.409 5.952 -14.283 1.00 0.00 C ATOM 0 HA PRO A 116 -18.116 4.084 -13.983 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -17.352 4.909 -16.656 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.389 5.793 -15.555 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -15.705 6.483 -16.365 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -16.739 7.362 -15.256 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -14.375 5.803 -14.593 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -15.399 6.696 -13.486 1.00 0.00 H new ATOM 1832 N SER A 117 -15.789 2.691 -15.810 1.00 0.00 N ATOM 1833 CA SER A 117 -15.465 1.393 -16.473 1.00 0.00 C ATOM 1834 C SER A 117 -15.560 0.244 -15.465 1.00 0.00 C ATOM 1835 O SER A 117 -14.686 0.056 -14.642 1.00 0.00 O ATOM 1836 CB SER A 117 -14.030 1.549 -16.973 1.00 0.00 C ATOM 1837 OG SER A 117 -13.804 0.641 -18.043 1.00 0.00 O ATOM 0 H SER A 117 -15.040 3.383 -15.823 1.00 0.00 H new ATOM 0 HA SER A 117 -16.156 1.162 -17.284 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.858 2.572 -17.307 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.327 1.356 -16.162 1.00 0.00 H new ATOM 0 HG SER A 117 -12.884 0.740 -18.367 1.00 0.00 H new ATOM 1843 N THR A 118 -16.615 -0.524 -15.525 1.00 0.00 N ATOM 1844 CA THR A 118 -16.769 -1.661 -14.571 1.00 0.00 C ATOM 1845 C THR A 118 -16.435 -2.983 -15.267 1.00 0.00 C ATOM 1846 O THR A 118 -16.334 -2.981 -16.483 1.00 0.00 O ATOM 1847 CB THR A 118 -18.240 -1.632 -14.154 1.00 0.00 C ATOM 1848 OG1 THR A 118 -19.052 -1.426 -15.300 1.00 0.00 O ATOM 1849 CG2 THR A 118 -18.466 -0.496 -13.154 1.00 0.00 C ATOM 0 H THR A 118 -17.377 -0.413 -16.194 1.00 0.00 H new ATOM 0 HA THR A 118 -16.101 -1.575 -13.714 1.00 0.00 H new ATOM 0 HB THR A 118 -18.505 -2.581 -13.688 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.995 -1.409 -15.034 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.515 -0.476 -12.857 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.843 -0.656 -12.274 1.00 0.00 H new ATOM 0 HG23 THR A 118 -18.202 0.455 -13.617 1.00 0.00 H new TER 1857 THR A 118