USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 8 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Set 1.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 THR OG1 : rot -38:sc= 0.294 USER MOD Set 2.2: A 51 THR OG1 : rot 62:sc= 1.19 USER MOD Set 3.1: A 8 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.948 (180deg=0.921) USER MOD Single : A 2 GLN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 0.955 (180deg=0.846) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= 1.11 (180deg=0.672) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 44:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 1.34 (180deg=1.34) USER MOD Single : A 32 GLN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.187 K(o=0.19,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.19) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -172:sc= 0 (180deg=-0.0378) USER MOD Single : B 1 MET N :NH3+ 175:sc= 0.685 (180deg=0.669) USER MOD Single : B 2 GLN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= 0.888 (180deg=0.788) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 73:sc= 1.21 USER MOD Single : B 25 THR OG1 : rot -140:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 176:sc= 1.34 (180deg=1.32) USER MOD Single : B 32 GLN : amide:sc= -0.0661 X(o=-0.066,f=-0.066) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : B 37 ASN : amide:sc= 0.111 K(o=0.11,f=-3.2!) USER MOD Single : B 44 THR OG1 : rot 70:sc= 0.562 USER MOD Single : B 45 TYR OH : rot -157:sc= 1.29 USER MOD Single : B 49 THR OG1 : rot -41:sc= 0.107 USER MOD Single : B 50 LYS NZ :NH3+ -164:sc= 1.2 (180deg=1.01) USER MOD Single : B 51 THR OG1 : rot 62:sc= 0.623 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.174 9.569 -16.736 1.00 0.00 N ATOM 2 CA MET A 1 -4.984 8.330 -16.630 1.00 0.00 C ATOM 3 C MET A 1 -4.824 7.727 -15.240 1.00 0.00 C ATOM 4 O MET A 1 -3.701 7.552 -14.769 1.00 0.00 O ATOM 5 CB MET A 1 -4.603 7.326 -17.736 1.00 0.00 C ATOM 6 CG MET A 1 -5.401 6.013 -17.680 1.00 0.00 C ATOM 7 SD MET A 1 -7.211 6.173 -17.720 1.00 0.00 S ATOM 8 CE MET A 1 -7.459 6.782 -19.411 1.00 0.00 C ATOM 0 H1 MET A 1 -4.365 10.031 -17.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.425 10.215 -15.961 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.164 9.330 -16.674 1.00 0.00 H new ATOM 0 HA MET A 1 -6.035 8.578 -16.775 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.758 7.794 -18.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.540 7.098 -17.657 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.093 5.389 -18.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.124 5.482 -16.769 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.524 6.931 -19.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.934 7.729 -19.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.069 6.053 -20.121 1.00 0.00 H new ATOM 20 N GLN A 2 -5.940 7.410 -14.576 1.00 0.00 N ATOM 21 CA GLN A 2 -5.958 6.681 -13.295 1.00 0.00 C ATOM 22 C GLN A 2 -5.611 5.187 -13.492 1.00 0.00 C ATOM 23 O GLN A 2 -6.150 4.537 -14.392 1.00 0.00 O ATOM 24 CB GLN A 2 -7.349 6.812 -12.643 1.00 0.00 C ATOM 25 CG GLN A 2 -7.337 6.532 -11.133 1.00 0.00 C ATOM 26 CD GLN A 2 -7.106 7.792 -10.327 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.038 8.500 -9.967 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.870 8.110 -10.015 1.00 0.00 N ATOM 0 H GLN A 2 -6.871 7.654 -14.914 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.202 7.120 -12.644 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.731 7.818 -12.817 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.038 6.121 -13.129 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.286 6.082 -10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.556 5.807 -10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.098 7.516 -10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.682 8.951 -9.470 1.00 0.00 H new ATOM 37 N TYR A 3 -4.731 4.645 -12.651 1.00 0.00 N ATOM 38 CA TYR A 3 -4.419 3.210 -12.533 1.00 0.00 C ATOM 39 C TYR A 3 -4.598 2.707 -11.086 1.00 0.00 C ATOM 40 O TYR A 3 -4.513 3.501 -10.145 1.00 0.00 O ATOM 41 CB TYR A 3 -2.998 2.954 -13.040 1.00 0.00 C ATOM 42 CG TYR A 3 -2.781 3.323 -14.498 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.360 4.623 -14.842 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.008 2.374 -15.512 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.175 4.975 -16.190 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.831 2.733 -16.862 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.428 4.034 -17.200 1.00 0.00 C ATOM 48 OH TYR A 3 -2.298 4.380 -18.510 1.00 0.00 O ATOM 0 H TYR A 3 -4.189 5.215 -12.002 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.121 2.648 -13.149 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.298 3.520 -12.426 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.761 1.899 -12.905 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.179 5.352 -14.066 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.318 1.372 -15.255 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.839 5.968 -16.448 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.006 2.005 -17.640 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.510 3.608 -19.075 1.00 0.00 H new ATOM 58 N LYS A 4 -4.788 1.399 -10.889 1.00 0.00 N ATOM 59 CA LYS A 4 -5.077 0.783 -9.579 1.00 0.00 C ATOM 60 C LYS A 4 -4.255 -0.503 -9.318 1.00 0.00 C ATOM 61 O LYS A 4 -3.914 -1.219 -10.256 1.00 0.00 O ATOM 62 CB LYS A 4 -6.594 0.516 -9.529 1.00 0.00 C ATOM 63 CG LYS A 4 -7.099 0.040 -8.159 1.00 0.00 C ATOM 64 CD LYS A 4 -8.597 -0.281 -8.180 1.00 0.00 C ATOM 65 CE LYS A 4 -8.983 -0.808 -6.795 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.385 -1.260 -6.730 1.00 0.00 N ATOM 0 H LYS A 4 -4.745 0.719 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.778 1.464 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.123 1.429 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.845 -0.234 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.542 -0.847 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.904 0.810 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.175 0.610 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.818 -1.024 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.326 -1.636 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.823 -0.024 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.539 -1.789 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.017 -0.435 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.589 -1.876 -7.543 1.00 0.00 H new ATOM 80 N LEU A 5 -3.994 -0.828 -8.048 1.00 0.00 N ATOM 81 CA LEU A 5 -3.233 -1.985 -7.551 1.00 0.00 C ATOM 82 C LEU A 5 -4.011 -2.703 -6.432 1.00 0.00 C ATOM 83 O LEU A 5 -4.176 -2.160 -5.338 1.00 0.00 O ATOM 84 CB LEU A 5 -1.872 -1.473 -7.036 1.00 0.00 C ATOM 85 CG LEU A 5 -0.724 -2.469 -6.784 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.992 -3.468 -5.664 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.343 -3.241 -8.041 1.00 0.00 C ATOM 0 H LEU A 5 -4.333 -0.247 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.078 -2.708 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.510 -0.735 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.056 -0.946 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 5 0.104 -1.833 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.133 -4.131 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.158 -2.931 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.876 -4.057 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.470 -3.930 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.206 -3.804 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.020 -2.543 -8.813 1.00 0.00 H new ATOM 99 N ILE A 6 -4.477 -3.922 -6.696 1.00 0.00 N ATOM 100 CA ILE A 6 -5.073 -4.827 -5.699 1.00 0.00 C ATOM 101 C ILE A 6 -3.965 -5.689 -5.078 1.00 0.00 C ATOM 102 O ILE A 6 -3.197 -6.328 -5.802 1.00 0.00 O ATOM 103 CB ILE A 6 -6.152 -5.723 -6.352 1.00 0.00 C ATOM 104 CG1 ILE A 6 -7.227 -4.848 -7.040 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.775 -6.673 -5.304 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.277 -5.644 -7.819 1.00 0.00 C ATOM 0 H ILE A 6 -4.453 -4.324 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.555 -4.237 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.684 -6.342 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.730 -4.247 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.734 -4.154 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.532 -7.295 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.997 -7.308 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.236 -6.086 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.993 -4.957 -8.270 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.787 -6.224 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.799 -6.319 -7.141 1.00 0.00 H new ATOM 118 N LEU A 7 -3.896 -5.729 -3.749 1.00 0.00 N ATOM 119 CA LEU A 7 -2.901 -6.465 -2.974 1.00 0.00 C ATOM 120 C LEU A 7 -3.529 -7.622 -2.168 1.00 0.00 C ATOM 121 O LEU A 7 -4.378 -7.430 -1.294 1.00 0.00 O ATOM 122 CB LEU A 7 -2.057 -5.502 -2.125 1.00 0.00 C ATOM 123 CG LEU A 7 -0.898 -6.212 -1.398 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.117 -6.863 -2.340 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.143 -5.207 -0.544 1.00 0.00 C ATOM 0 H LEU A 7 -4.560 -5.228 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.214 -6.951 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.653 -4.718 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.698 -5.015 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.360 -7.000 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.902 -7.342 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.384 -7.610 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.558 -6.101 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.677 -5.709 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.257 -4.417 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.820 -4.773 0.191 1.00 0.00 H new ATOM 137 N ASN A 8 -3.046 -8.818 -2.490 1.00 0.00 N ATOM 138 CA ASN A 8 -3.340 -10.051 -1.779 1.00 0.00 C ATOM 139 C ASN A 8 -2.060 -10.617 -1.136 1.00 0.00 C ATOM 140 O ASN A 8 -1.000 -10.679 -1.764 1.00 0.00 O ATOM 141 CB ASN A 8 -3.992 -11.068 -2.723 1.00 0.00 C ATOM 142 CG ASN A 8 -5.020 -10.498 -3.682 1.00 0.00 C ATOM 143 OD1 ASN A 8 -6.213 -10.440 -3.408 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.560 -10.107 -4.848 1.00 0.00 N ATOM 0 H ASN A 8 -2.417 -8.957 -3.281 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.048 -9.838 -0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.208 -11.554 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.470 -11.842 -2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.201 -9.743 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.562 -10.167 -5.048 1.00 0.00 H new ATOM 151 N GLY A 9 -2.172 -11.031 0.120 1.00 0.00 N ATOM 152 CA GLY A 9 -1.059 -11.572 0.906 1.00 0.00 C ATOM 153 C GLY A 9 -1.424 -12.130 2.282 1.00 0.00 C ATOM 154 O GLY A 9 -2.577 -12.075 2.720 1.00 0.00 O ATOM 0 H GLY A 9 -3.052 -11.002 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.583 -12.364 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.317 -10.785 1.039 1.00 0.00 H new ATOM 158 N LYS A 10 -0.425 -12.687 2.961 1.00 0.00 N ATOM 159 CA LYS A 10 -0.541 -13.389 4.245 1.00 0.00 C ATOM 160 C LYS A 10 -0.140 -12.475 5.421 1.00 0.00 C ATOM 161 O LYS A 10 -0.819 -12.434 6.449 1.00 0.00 O ATOM 162 CB LYS A 10 0.371 -14.630 4.205 1.00 0.00 C ATOM 163 CG LYS A 10 0.072 -15.622 3.059 1.00 0.00 C ATOM 164 CD LYS A 10 -1.304 -16.307 3.137 1.00 0.00 C ATOM 165 CE LYS A 10 -1.487 -17.118 4.429 1.00 0.00 C ATOM 166 NZ LYS A 10 -2.768 -17.852 4.445 1.00 0.00 N ATOM 0 H LYS A 10 0.535 -12.662 2.618 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.579 -13.685 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.406 -14.299 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.283 -15.158 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.144 -15.091 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.845 -16.391 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.086 -15.551 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.427 -16.966 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.663 -17.824 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.443 -16.447 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.851 -18.386 5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.556 -17.177 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.801 -18.511 3.641 1.00 0.00 H new ATOM 180 N THR A 11 0.925 -11.691 5.243 1.00 0.00 N ATOM 181 CA THR A 11 1.389 -10.663 6.196 1.00 0.00 C ATOM 182 C THR A 11 0.560 -9.369 6.111 1.00 0.00 C ATOM 183 O THR A 11 0.331 -8.692 7.117 1.00 0.00 O ATOM 184 CB THR A 11 2.858 -10.302 5.880 1.00 0.00 C ATOM 185 OG1 THR A 11 3.672 -11.457 5.905 1.00 0.00 O ATOM 186 CG2 THR A 11 3.483 -9.293 6.845 1.00 0.00 C ATOM 0 H THR A 11 1.510 -11.750 4.410 1.00 0.00 H new ATOM 0 HA THR A 11 1.281 -11.081 7.197 1.00 0.00 H new ATOM 0 HB THR A 11 2.819 -9.848 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.598 -11.209 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.514 -9.097 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.915 -8.363 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.466 -9.699 7.857 1.00 0.00 H new ATOM 194 N LEU A 12 0.125 -9.012 4.901 1.00 0.00 N ATOM 195 CA LEU A 12 -0.610 -7.778 4.600 1.00 0.00 C ATOM 196 C LEU A 12 -1.543 -7.951 3.378 1.00 0.00 C ATOM 197 O LEU A 12 -1.249 -8.718 2.461 1.00 0.00 O ATOM 198 CB LEU A 12 0.442 -6.649 4.473 1.00 0.00 C ATOM 199 CG LEU A 12 -0.101 -5.218 4.282 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.810 -4.193 4.957 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.169 -4.857 2.804 1.00 0.00 C ATOM 0 H LEU A 12 0.279 -9.591 4.076 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.302 -7.510 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.064 -6.661 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.092 -6.882 3.630 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.095 -5.196 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.405 -3.192 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.868 -4.405 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.807 -4.250 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.555 -3.843 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.829 -4.914 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.830 -5.554 2.289 1.00 0.00 H new ATOM 213 N LYS A 13 -2.655 -7.216 3.357 1.00 0.00 N ATOM 214 CA LYS A 13 -3.601 -7.091 2.232 1.00 0.00 C ATOM 215 C LYS A 13 -3.965 -5.609 2.010 1.00 0.00 C ATOM 216 O LYS A 13 -3.813 -4.801 2.926 1.00 0.00 O ATOM 217 CB LYS A 13 -4.885 -7.883 2.537 1.00 0.00 C ATOM 218 CG LYS A 13 -4.696 -9.407 2.594 1.00 0.00 C ATOM 219 CD LYS A 13 -6.047 -10.086 2.886 1.00 0.00 C ATOM 220 CE LYS A 13 -6.002 -11.620 2.833 1.00 0.00 C ATOM 221 NZ LYS A 13 -5.160 -12.207 3.896 1.00 0.00 N ATOM 0 H LYS A 13 -2.941 -6.660 4.163 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.129 -7.489 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.288 -7.544 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.630 -7.650 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.293 -9.769 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.973 -9.665 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.391 -9.777 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.784 -9.730 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.015 -12.012 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.622 -11.934 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.477 -13.178 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.168 -12.223 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.242 -11.634 4.760 1.00 0.00 H new ATOM 235 N GLY A 14 -4.472 -5.228 0.833 1.00 0.00 N ATOM 236 CA GLY A 14 -4.874 -3.834 0.572 1.00 0.00 C ATOM 237 C GLY A 14 -5.298 -3.503 -0.862 1.00 0.00 C ATOM 238 O GLY A 14 -5.376 -4.376 -1.730 1.00 0.00 O ATOM 0 H GLY A 14 -4.615 -5.860 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.701 -3.587 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.042 -3.183 0.841 1.00 0.00 H new ATOM 242 N GLU A 15 -5.556 -2.215 -1.109 1.00 0.00 N ATOM 243 CA GLU A 15 -5.866 -1.616 -2.426 1.00 0.00 C ATOM 244 C GLU A 15 -5.316 -0.191 -2.515 1.00 0.00 C ATOM 245 O GLU A 15 -5.489 0.601 -1.586 1.00 0.00 O ATOM 246 CB GLU A 15 -7.383 -1.544 -2.685 1.00 0.00 C ATOM 247 CG GLU A 15 -8.057 -2.907 -2.841 1.00 0.00 C ATOM 248 CD GLU A 15 -9.549 -2.723 -3.071 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.949 -2.491 -4.233 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.320 -2.816 -2.089 1.00 0.00 O ATOM 0 H GLU A 15 -5.556 -1.520 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.399 -2.260 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.856 -1.009 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.559 -0.959 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.615 -3.447 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.889 -3.510 -1.948 1.00 0.00 H new ATOM 257 N THR A 16 -4.674 0.143 -3.633 1.00 0.00 N ATOM 258 CA THR A 16 -4.116 1.490 -3.885 1.00 0.00 C ATOM 259 C THR A 16 -4.363 1.993 -5.312 1.00 0.00 C ATOM 260 O THR A 16 -4.609 1.207 -6.227 1.00 0.00 O ATOM 261 CB THR A 16 -2.603 1.585 -3.574 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.803 1.057 -4.602 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.156 0.873 -2.300 1.00 0.00 C ATOM 0 H THR A 16 -4.520 -0.511 -4.401 1.00 0.00 H new ATOM 0 HA THR A 16 -4.659 2.134 -3.193 1.00 0.00 H new ATOM 0 HB THR A 16 -2.465 2.660 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.858 1.143 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.081 0.998 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.676 1.300 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.391 -0.189 -2.375 1.00 0.00 H new ATOM 271 N THR A 17 -4.291 3.308 -5.505 1.00 0.00 N ATOM 272 CA THR A 17 -4.628 3.996 -6.764 1.00 0.00 C ATOM 273 C THR A 17 -3.655 5.154 -7.030 1.00 0.00 C ATOM 274 O THR A 17 -3.238 5.853 -6.100 1.00 0.00 O ATOM 275 CB THR A 17 -6.074 4.548 -6.725 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.969 3.698 -6.035 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.666 4.747 -8.116 1.00 0.00 C ATOM 0 H THR A 17 -3.988 3.950 -4.772 1.00 0.00 H new ATOM 0 HA THR A 17 -4.546 3.264 -7.567 1.00 0.00 H new ATOM 0 HB THR A 17 -5.973 5.502 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.865 4.094 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.681 5.135 -8.027 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.054 5.455 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.688 3.793 -8.642 1.00 0.00 H new ATOM 285 N THR A 18 -3.281 5.388 -8.290 1.00 0.00 N ATOM 286 CA THR A 18 -2.310 6.409 -8.729 1.00 0.00 C ATOM 287 C THR A 18 -2.738 6.994 -10.088 1.00 0.00 C ATOM 288 O THR A 18 -3.588 6.423 -10.776 1.00 0.00 O ATOM 289 CB THR A 18 -0.902 5.771 -8.865 1.00 0.00 C ATOM 290 OG1 THR A 18 0.116 6.727 -9.055 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.774 4.796 -10.043 1.00 0.00 C ATOM 0 H THR A 18 -3.659 4.851 -9.070 1.00 0.00 H new ATOM 0 HA THR A 18 -2.279 7.207 -7.987 1.00 0.00 H new ATOM 0 HB THR A 18 -0.784 5.244 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.018 7.475 -8.436 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.238 4.391 -10.072 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.487 3.981 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.981 5.322 -10.975 1.00 0.00 H new ATOM 299 N GLU A 19 -2.164 8.128 -10.492 1.00 0.00 N ATOM 300 CA GLU A 19 -2.295 8.712 -11.846 1.00 0.00 C ATOM 301 C GLU A 19 -0.928 8.878 -12.498 1.00 0.00 C ATOM 302 O GLU A 19 -0.025 9.495 -11.929 1.00 0.00 O ATOM 303 CB GLU A 19 -3.107 10.016 -11.840 1.00 0.00 C ATOM 304 CG GLU A 19 -3.114 10.698 -13.212 1.00 0.00 C ATOM 305 CD GLU A 19 -4.406 11.456 -13.467 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.730 12.384 -12.692 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.071 11.128 -14.476 1.00 0.00 O ATOM 0 H GLU A 19 -1.576 8.689 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.864 8.011 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.132 9.803 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.691 10.698 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.271 11.386 -13.279 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.975 9.947 -13.990 1.00 0.00 H new ATOM 314 N ALA A 20 -0.777 8.283 -13.680 1.00 0.00 N ATOM 315 CA ALA A 20 0.463 8.181 -14.429 1.00 0.00 C ATOM 316 C ALA A 20 0.249 8.475 -15.923 1.00 0.00 C ATOM 317 O ALA A 20 -0.881 8.491 -16.426 1.00 0.00 O ATOM 318 CB ALA A 20 1.012 6.769 -14.220 1.00 0.00 C ATOM 0 H ALA A 20 -1.559 7.838 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 20 1.175 8.924 -14.070 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.946 6.657 -14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.194 6.603 -13.158 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.288 6.040 -14.582 1.00 0.00 H new ATOM 324 N VAL A 21 1.356 8.680 -16.634 1.00 0.00 N ATOM 325 CA VAL A 21 1.330 8.914 -18.093 1.00 0.00 C ATOM 326 C VAL A 21 0.894 7.654 -18.856 1.00 0.00 C ATOM 327 O VAL A 21 0.069 7.747 -19.769 1.00 0.00 O ATOM 328 CB VAL A 21 2.660 9.494 -18.605 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.847 8.614 -18.211 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.672 9.737 -20.118 1.00 0.00 C ATOM 0 H VAL A 21 2.292 8.690 -16.229 1.00 0.00 H new ATOM 0 HA VAL A 21 0.574 9.674 -18.292 1.00 0.00 H new ATOM 0 HB VAL A 21 2.758 10.465 -18.120 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.769 9.055 -18.590 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.900 8.540 -17.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.719 7.619 -18.637 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.638 10.146 -20.413 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.503 8.795 -20.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.884 10.443 -20.379 1.00 0.00 H new ATOM 340 N ASP A 22 1.353 6.462 -18.441 1.00 0.00 N ATOM 341 CA ASP A 22 1.007 5.164 -19.035 1.00 0.00 C ATOM 342 C ASP A 22 1.073 4.052 -17.976 1.00 0.00 C ATOM 343 O ASP A 22 1.648 4.218 -16.896 1.00 0.00 O ATOM 344 CB ASP A 22 2.032 4.841 -20.148 1.00 0.00 C ATOM 345 CG ASP A 22 1.510 3.932 -21.280 1.00 0.00 C ATOM 346 OD1 ASP A 22 1.607 2.689 -21.144 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.038 4.460 -22.314 1.00 0.00 O ATOM 0 H ASP A 22 1.997 6.375 -17.655 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.005 5.216 -19.437 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.376 5.778 -20.586 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.900 4.365 -19.693 1.00 0.00 H new ATOM 352 N ALA A 23 0.547 2.895 -18.349 1.00 0.00 N ATOM 353 CA ALA A 23 0.543 1.664 -17.556 1.00 0.00 C ATOM 354 C ALA A 23 1.956 1.235 -17.110 1.00 0.00 C ATOM 355 O ALA A 23 2.110 0.619 -16.061 1.00 0.00 O ATOM 356 CB ALA A 23 -0.137 0.547 -18.354 1.00 0.00 C ATOM 0 H ALA A 23 0.089 2.778 -19.253 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.018 1.861 -16.642 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.141 -0.370 -17.765 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.163 0.836 -18.583 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.408 0.380 -19.283 1.00 0.00 H new ATOM 362 N ALA A 24 2.999 1.602 -17.859 1.00 0.00 N ATOM 363 CA ALA A 24 4.391 1.341 -17.535 1.00 0.00 C ATOM 364 C ALA A 24 4.901 2.263 -16.414 1.00 0.00 C ATOM 365 O ALA A 24 5.652 1.817 -15.551 1.00 0.00 O ATOM 366 CB ALA A 24 5.239 1.497 -18.803 1.00 0.00 C ATOM 0 H ALA A 24 2.886 2.107 -18.738 1.00 0.00 H new ATOM 0 HA ALA A 24 4.476 0.320 -17.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.285 1.303 -18.567 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.899 0.788 -19.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.136 2.512 -19.187 1.00 0.00 H new ATOM 372 N THR A 25 4.471 3.527 -16.358 1.00 0.00 N ATOM 373 CA THR A 25 4.773 4.452 -15.253 1.00 0.00 C ATOM 374 C THR A 25 3.964 4.121 -13.990 1.00 0.00 C ATOM 375 O THR A 25 4.535 4.050 -12.905 1.00 0.00 O ATOM 376 CB THR A 25 4.548 5.902 -15.692 1.00 0.00 C ATOM 377 OG1 THR A 25 5.296 6.147 -16.864 1.00 0.00 O ATOM 378 CG2 THR A 25 4.985 6.930 -14.645 1.00 0.00 C ATOM 0 H THR A 25 3.895 3.946 -17.088 1.00 0.00 H new ATOM 0 HA THR A 25 5.825 4.329 -14.996 1.00 0.00 H new ATOM 0 HB THR A 25 3.475 6.015 -15.848 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.692 7.042 -16.818 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.797 7.935 -15.022 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.420 6.776 -13.726 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.049 6.812 -14.441 1.00 0.00 H new ATOM 386 N ALA A 26 2.669 3.801 -14.102 1.00 0.00 N ATOM 387 CA ALA A 26 1.889 3.297 -12.957 1.00 0.00 C ATOM 388 C ALA A 26 2.430 1.963 -12.393 1.00 0.00 C ATOM 389 O ALA A 26 2.522 1.788 -11.178 1.00 0.00 O ATOM 390 CB ALA A 26 0.432 3.143 -13.379 1.00 0.00 C ATOM 0 H ALA A 26 2.138 3.880 -14.969 1.00 0.00 H new ATOM 0 HA ALA A 26 1.979 4.025 -12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.153 2.770 -12.538 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.040 4.110 -13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.366 2.438 -14.208 1.00 0.00 H new ATOM 396 N GLU A 27 2.894 1.089 -13.294 1.00 0.00 N ATOM 397 CA GLU A 27 3.641 -0.137 -12.938 1.00 0.00 C ATOM 398 C GLU A 27 4.961 0.202 -12.259 1.00 0.00 C ATOM 399 O GLU A 27 5.317 -0.440 -11.275 1.00 0.00 O ATOM 400 CB GLU A 27 3.899 -1.068 -14.137 1.00 0.00 C ATOM 401 CG GLU A 27 4.687 -2.315 -13.719 1.00 0.00 C ATOM 402 CD GLU A 27 4.772 -3.365 -14.816 1.00 0.00 C ATOM 403 OE1 GLU A 27 4.949 -3.011 -16.002 1.00 0.00 O ATOM 404 OE2 GLU A 27 4.729 -4.562 -14.454 1.00 0.00 O ATOM 0 H GLU A 27 2.764 1.208 -14.299 1.00 0.00 H new ATOM 0 HA GLU A 27 2.999 -0.679 -12.243 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.948 -1.368 -14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.451 -0.528 -14.906 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.695 -2.020 -13.429 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.218 -2.755 -12.839 1.00 0.00 H new ATOM 411 N LYS A 28 5.669 1.235 -12.719 1.00 0.00 N ATOM 412 CA LYS A 28 6.903 1.694 -12.061 1.00 0.00 C ATOM 413 C LYS A 28 6.646 2.238 -10.639 1.00 0.00 C ATOM 414 O LYS A 28 7.353 1.857 -9.706 1.00 0.00 O ATOM 415 CB LYS A 28 7.590 2.736 -12.964 1.00 0.00 C ATOM 416 CG LYS A 28 9.040 3.051 -12.566 1.00 0.00 C ATOM 417 CD LYS A 28 9.627 4.218 -13.381 1.00 0.00 C ATOM 418 CE LYS A 28 9.625 3.952 -14.893 1.00 0.00 C ATOM 419 NZ LYS A 28 10.281 5.039 -15.649 1.00 0.00 N ATOM 0 H LYS A 28 5.412 1.773 -13.546 1.00 0.00 H new ATOM 0 HA LYS A 28 7.568 0.841 -11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.577 2.375 -13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.010 3.659 -12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.078 3.296 -11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.656 2.163 -12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.054 5.122 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.649 4.407 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.136 3.011 -15.096 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.598 3.839 -15.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.257 4.819 -16.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.779 5.933 -15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.269 5.131 -15.338 1.00 0.00 H new ATOM 433 N VAL A 29 5.632 3.085 -10.421 1.00 0.00 N ATOM 434 CA VAL A 29 5.225 3.544 -9.071 1.00 0.00 C ATOM 435 C VAL A 29 4.839 2.365 -8.170 1.00 0.00 C ATOM 436 O VAL A 29 5.394 2.209 -7.083 1.00 0.00 O ATOM 437 CB VAL A 29 4.058 4.555 -9.167 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.489 4.958 -7.800 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.514 5.844 -9.865 1.00 0.00 C ATOM 0 H VAL A 29 5.064 3.477 -11.172 1.00 0.00 H new ATOM 0 HA VAL A 29 6.083 4.042 -8.620 1.00 0.00 H new ATOM 0 HB VAL A 29 3.282 4.043 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.674 5.668 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.114 4.073 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.274 5.420 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.679 6.542 -9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.327 6.297 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.861 5.610 -10.871 1.00 0.00 H new ATOM 449 N PHE A 30 3.948 1.485 -8.628 1.00 0.00 N ATOM 450 CA PHE A 30 3.554 0.325 -7.826 1.00 0.00 C ATOM 451 C PHE A 30 4.728 -0.622 -7.504 1.00 0.00 C ATOM 452 O PHE A 30 4.864 -1.076 -6.366 1.00 0.00 O ATOM 453 CB PHE A 30 2.425 -0.448 -8.512 1.00 0.00 C ATOM 454 CG PHE A 30 1.111 0.301 -8.688 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.574 1.088 -7.646 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.401 0.188 -9.901 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.650 1.759 -7.820 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.826 0.855 -10.072 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.356 1.631 -9.028 1.00 0.00 C ATOM 0 H PHE A 30 3.491 1.550 -9.537 1.00 0.00 H new ATOM 0 HA PHE A 30 3.200 0.720 -6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.774 -0.764 -9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.230 -1.353 -7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.106 1.175 -6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.801 -0.414 -10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.047 2.373 -7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.361 0.770 -11.007 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.306 2.129 -9.154 1.00 0.00 H new ATOM 469 N LYS A 31 5.626 -0.864 -8.461 1.00 0.00 N ATOM 470 CA LYS A 31 6.836 -1.653 -8.202 1.00 0.00 C ATOM 471 C LYS A 31 7.845 -0.944 -7.290 1.00 0.00 C ATOM 472 O LYS A 31 8.636 -1.622 -6.639 1.00 0.00 O ATOM 473 CB LYS A 31 7.502 -2.113 -9.504 1.00 0.00 C ATOM 474 CG LYS A 31 6.767 -3.344 -10.052 1.00 0.00 C ATOM 475 CD LYS A 31 7.455 -3.877 -11.313 1.00 0.00 C ATOM 476 CE LYS A 31 7.055 -5.332 -11.611 1.00 0.00 C ATOM 477 NZ LYS A 31 5.623 -5.489 -11.935 1.00 0.00 N ATOM 0 H LYS A 31 5.540 -0.527 -9.420 1.00 0.00 H new ATOM 0 HA LYS A 31 6.498 -2.535 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.482 -1.308 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.550 -2.353 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.739 -4.124 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.733 -3.084 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.194 -3.247 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.536 -3.815 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.652 -5.702 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.295 -5.952 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.425 -6.485 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.048 -5.196 -11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.386 -4.896 -12.756 1.00 0.00 H new ATOM 491 N GLN A 32 7.833 0.386 -7.176 1.00 0.00 N ATOM 492 CA GLN A 32 8.615 1.124 -6.169 1.00 0.00 C ATOM 493 C GLN A 32 8.015 0.976 -4.750 1.00 0.00 C ATOM 494 O GLN A 32 8.748 0.740 -3.788 1.00 0.00 O ATOM 495 CB GLN A 32 8.684 2.605 -6.602 1.00 0.00 C ATOM 496 CG GLN A 32 9.797 2.849 -7.629 1.00 0.00 C ATOM 497 CD GLN A 32 9.746 4.263 -8.168 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.542 5.121 -7.805 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.808 4.545 -9.046 1.00 0.00 N ATOM 0 H GLN A 32 7.278 0.990 -7.782 1.00 0.00 H new ATOM 0 HA GLN A 32 9.621 0.707 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.726 2.904 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.854 3.232 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.768 2.668 -7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.698 2.140 -8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.151 3.822 -9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.738 5.486 -9.432 1.00 0.00 H new ATOM 508 N TYR A 33 6.685 1.049 -4.610 1.00 0.00 N ATOM 509 CA TYR A 33 5.953 0.859 -3.334 1.00 0.00 C ATOM 510 C TYR A 33 5.860 -0.618 -2.852 1.00 0.00 C ATOM 511 O TYR A 33 5.665 -0.886 -1.668 1.00 0.00 O ATOM 512 CB TYR A 33 4.552 1.481 -3.473 1.00 0.00 C ATOM 513 CG TYR A 33 4.495 2.993 -3.276 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.185 3.876 -4.136 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.732 3.529 -2.219 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.114 5.268 -3.940 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.660 4.921 -2.026 1.00 0.00 C ATOM 518 CZ TYR A 33 4.348 5.790 -2.885 1.00 0.00 C ATOM 519 OH TYR A 33 4.262 7.137 -2.703 1.00 0.00 O ATOM 0 H TYR A 33 6.065 1.246 -5.396 1.00 0.00 H new ATOM 0 HA TYR A 33 6.530 1.363 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.162 1.244 -4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.888 1.010 -2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.772 3.480 -4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.199 2.867 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.648 5.934 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.073 5.322 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 33 3.692 7.327 -1.929 1.00 0.00 H new ATOM 529 N PHE A 34 6.032 -1.542 -3.796 1.00 0.00 N ATOM 530 CA PHE A 34 5.895 -3.002 -3.600 1.00 0.00 C ATOM 531 C PHE A 34 7.091 -3.852 -4.096 1.00 0.00 C ATOM 532 O PHE A 34 6.919 -4.986 -4.549 1.00 0.00 O ATOM 533 CB PHE A 34 4.517 -3.502 -4.074 1.00 0.00 C ATOM 534 CG PHE A 34 3.328 -2.762 -3.477 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.069 -2.822 -2.091 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.477 -2.001 -4.304 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.980 -2.120 -1.542 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.392 -1.295 -3.754 1.00 0.00 C ATOM 539 CZ PHE A 34 1.143 -1.357 -2.373 1.00 0.00 C ATOM 0 H PHE A 34 6.279 -1.296 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 34 5.937 -3.163 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.470 -3.419 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.427 -4.561 -3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.709 -3.409 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.660 -1.960 -5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.787 -2.168 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.751 -0.706 -4.393 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.308 -0.818 -1.950 1.00 0.00 H new ATOM 549 N ASN A 35 8.313 -3.312 -4.008 1.00 0.00 N ATOM 550 CA ASN A 35 9.532 -3.942 -4.525 1.00 0.00 C ATOM 551 C ASN A 35 9.956 -5.247 -3.797 1.00 0.00 C ATOM 552 O ASN A 35 10.015 -6.315 -4.412 1.00 0.00 O ATOM 553 CB ASN A 35 10.660 -2.891 -4.493 1.00 0.00 C ATOM 554 CG ASN A 35 11.653 -3.164 -5.601 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.701 -3.769 -5.410 1.00 0.00 O ATOM 556 ND2 ASN A 35 11.317 -2.739 -6.800 1.00 0.00 N ATOM 0 H ASN A 35 8.484 -2.408 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 35 9.323 -4.270 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.240 -1.892 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.164 -2.916 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.934 -2.911 -7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.439 -2.237 -6.936 1.00 0.00 H new ATOM 563 N ASP A 36 10.259 -5.151 -2.492 1.00 0.00 N ATOM 564 CA ASP A 36 10.832 -6.227 -1.643 1.00 0.00 C ATOM 565 C ASP A 36 10.691 -5.994 -0.124 1.00 0.00 C ATOM 566 O ASP A 36 11.348 -6.647 0.688 1.00 0.00 O ATOM 567 CB ASP A 36 12.325 -6.418 -1.976 1.00 0.00 C ATOM 568 CG ASP A 36 13.280 -5.337 -1.410 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.912 -4.138 -1.366 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.418 -5.695 -1.017 1.00 0.00 O ATOM 0 H ASP A 36 10.108 -4.288 -1.971 1.00 0.00 H new ATOM 0 HA ASP A 36 10.249 -7.118 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.642 -7.390 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.437 -6.445 -3.060 1.00 0.00 H new ATOM 575 N ASN A 37 9.831 -5.052 0.254 1.00 0.00 N ATOM 576 CA ASN A 37 9.509 -4.764 1.660 1.00 0.00 C ATOM 577 C ASN A 37 8.825 -5.961 2.370 1.00 0.00 C ATOM 578 O ASN A 37 9.027 -6.193 3.564 1.00 0.00 O ATOM 579 CB ASN A 37 8.688 -3.463 1.729 1.00 0.00 C ATOM 580 CG ASN A 37 7.566 -3.350 0.704 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.944 -4.326 0.298 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.338 -2.152 0.216 1.00 0.00 N ATOM 0 H ASN A 37 9.331 -4.459 -0.408 1.00 0.00 H new ATOM 0 HA ASN A 37 10.435 -4.613 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.257 -3.376 2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.364 -2.618 1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.635 -2.023 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.864 -1.351 0.565 1.00 0.00 H new ATOM 589 N GLY A 38 8.060 -6.739 1.601 1.00 0.00 N ATOM 590 CA GLY A 38 7.389 -7.959 2.080 1.00 0.00 C ATOM 591 C GLY A 38 6.598 -8.764 1.044 1.00 0.00 C ATOM 592 O GLY A 38 6.483 -9.982 1.192 1.00 0.00 O ATOM 0 H GLY A 38 7.884 -6.541 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.144 -8.614 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.709 -7.679 2.884 1.00 0.00 H new ATOM 596 N VAL A 39 6.076 -8.116 -0.004 1.00 0.00 N ATOM 597 CA VAL A 39 5.179 -8.761 -0.986 1.00 0.00 C ATOM 598 C VAL A 39 5.881 -9.869 -1.790 1.00 0.00 C ATOM 599 O VAL A 39 5.501 -11.038 -1.687 1.00 0.00 O ATOM 600 CB VAL A 39 4.537 -7.725 -1.936 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.493 -8.371 -2.851 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.824 -6.612 -1.155 1.00 0.00 C ATOM 0 H VAL A 39 6.259 -7.132 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 39 4.386 -9.234 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 39 5.356 -7.313 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.063 -7.612 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.967 -9.144 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.704 -8.817 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.384 -5.901 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.038 -7.047 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.543 -6.097 -0.518 1.00 0.00 H new ATOM 612 N ASP A 40 6.923 -9.520 -2.564 1.00 0.00 N ATOM 613 CA ASP A 40 7.693 -10.414 -3.467 1.00 0.00 C ATOM 614 C ASP A 40 6.839 -11.489 -4.191 1.00 0.00 C ATOM 615 O ASP A 40 7.202 -12.666 -4.263 1.00 0.00 O ATOM 616 CB ASP A 40 8.891 -10.995 -2.681 1.00 0.00 C ATOM 617 CG ASP A 40 9.932 -11.742 -3.548 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.272 -11.259 -4.656 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.452 -12.793 -3.095 1.00 0.00 O ATOM 0 H ASP A 40 7.274 -8.562 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 40 8.069 -9.817 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.392 -10.182 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.512 -11.679 -1.922 1.00 0.00 H new ATOM 624 N GLY A 41 5.667 -11.080 -4.689 1.00 0.00 N ATOM 625 CA GLY A 41 4.610 -11.960 -5.220 1.00 0.00 C ATOM 626 C GLY A 41 4.460 -11.979 -6.749 1.00 0.00 C ATOM 627 O GLY A 41 5.263 -11.398 -7.483 1.00 0.00 O ATOM 0 H GLY A 41 5.416 -10.093 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.806 -12.977 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.658 -11.656 -4.784 1.00 0.00 H new ATOM 631 N GLU A 42 3.414 -12.662 -7.231 1.00 0.00 N ATOM 632 CA GLU A 42 3.037 -12.780 -8.659 1.00 0.00 C ATOM 633 C GLU A 42 2.151 -11.621 -9.124 1.00 0.00 C ATOM 634 O GLU A 42 1.077 -11.396 -8.571 1.00 0.00 O ATOM 635 CB GLU A 42 2.290 -14.102 -8.898 1.00 0.00 C ATOM 636 CG GLU A 42 1.930 -14.319 -10.368 1.00 0.00 C ATOM 637 CD GLU A 42 1.292 -15.688 -10.552 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.063 -15.805 -10.345 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.019 -16.638 -10.917 1.00 0.00 O ATOM 0 H GLU A 42 2.777 -13.171 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 42 3.962 -12.753 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.908 -14.931 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.379 -14.113 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.243 -13.541 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.825 -14.240 -10.985 1.00 0.00 H new ATOM 646 N TRP A 43 2.595 -10.910 -10.160 1.00 0.00 N ATOM 647 CA TRP A 43 1.883 -9.771 -10.759 1.00 0.00 C ATOM 648 C TRP A 43 0.983 -10.162 -11.955 1.00 0.00 C ATOM 649 O TRP A 43 1.316 -11.039 -12.756 1.00 0.00 O ATOM 650 CB TRP A 43 2.912 -8.709 -11.178 1.00 0.00 C ATOM 651 CG TRP A 43 3.641 -8.044 -10.045 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.531 -8.639 -9.218 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.556 -6.657 -9.588 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.964 -7.744 -8.264 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.394 -6.504 -8.441 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.861 -5.509 -10.032 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.519 -5.288 -7.757 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.990 -4.279 -9.359 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.805 -4.171 -8.218 1.00 0.00 C ATOM 0 H TRP A 43 3.482 -11.112 -10.621 1.00 0.00 H new ATOM 0 HA TRP A 43 1.206 -9.373 -10.003 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.645 -9.176 -11.836 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.402 -7.942 -11.761 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.855 -9.666 -9.294 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.624 -7.972 -7.520 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.222 -5.576 -10.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.155 -5.211 -6.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.459 -3.412 -9.722 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.881 -3.228 -7.696 1.00 0.00 H new ATOM 670 N THR A 44 -0.157 -9.479 -12.078 1.00 0.00 N ATOM 671 CA THR A 44 -1.148 -9.574 -13.171 1.00 0.00 C ATOM 672 C THR A 44 -1.654 -8.165 -13.546 1.00 0.00 C ATOM 673 O THR A 44 -1.678 -7.286 -12.681 1.00 0.00 O ATOM 674 CB THR A 44 -2.362 -10.427 -12.731 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.969 -11.596 -12.043 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.253 -10.874 -13.893 1.00 0.00 C ATOM 0 H THR A 44 -0.438 -8.797 -11.374 1.00 0.00 H new ATOM 0 HA THR A 44 -0.663 -10.042 -14.028 1.00 0.00 H new ATOM 0 HB THR A 44 -2.926 -9.760 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.765 -12.105 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.083 -11.467 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.643 -9.998 -14.411 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.669 -11.476 -14.589 1.00 0.00 H new ATOM 684 N TYR A 45 -2.097 -7.931 -14.789 1.00 0.00 N ATOM 685 CA TYR A 45 -2.719 -6.667 -15.230 1.00 0.00 C ATOM 686 C TYR A 45 -3.867 -6.884 -16.235 1.00 0.00 C ATOM 687 O TYR A 45 -3.745 -7.679 -17.173 1.00 0.00 O ATOM 688 CB TYR A 45 -1.644 -5.779 -15.880 1.00 0.00 C ATOM 689 CG TYR A 45 -2.150 -4.450 -16.423 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.633 -3.471 -15.538 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.130 -4.179 -17.806 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.079 -2.227 -16.017 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.572 -2.931 -18.287 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.042 -1.956 -17.393 1.00 0.00 C ATOM 695 OH TYR A 45 -3.444 -0.742 -17.858 1.00 0.00 O ATOM 0 H TYR A 45 -2.034 -8.626 -15.533 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.146 -6.190 -14.348 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.864 -5.581 -15.144 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.180 -6.334 -16.695 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.662 -3.677 -14.478 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.775 -4.929 -18.498 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.449 -1.482 -15.328 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.549 -2.724 -19.347 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.354 -0.719 -18.834 1.00 0.00 H new ATOM 705 N ASP A 46 -4.966 -6.143 -16.056 1.00 0.00 N ATOM 706 CA ASP A 46 -6.123 -6.047 -16.960 1.00 0.00 C ATOM 707 C ASP A 46 -6.294 -4.611 -17.475 1.00 0.00 C ATOM 708 O ASP A 46 -6.777 -3.736 -16.748 1.00 0.00 O ATOM 709 CB ASP A 46 -7.396 -6.529 -16.236 1.00 0.00 C ATOM 710 CG ASP A 46 -7.413 -8.046 -15.955 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.736 -8.827 -16.884 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.135 -8.458 -14.802 1.00 0.00 O ATOM 0 H ASP A 46 -5.081 -5.559 -15.228 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.949 -6.690 -17.823 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.492 -5.993 -15.292 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.266 -6.270 -16.839 1.00 0.00 H new ATOM 717 N ASP A 47 -5.919 -4.350 -18.733 1.00 0.00 N ATOM 718 CA ASP A 47 -6.061 -3.046 -19.410 1.00 0.00 C ATOM 719 C ASP A 47 -7.515 -2.561 -19.510 1.00 0.00 C ATOM 720 O ASP A 47 -7.799 -1.382 -19.313 1.00 0.00 O ATOM 721 CB ASP A 47 -5.450 -3.205 -20.818 1.00 0.00 C ATOM 722 CG ASP A 47 -5.584 -1.956 -21.708 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.925 -0.932 -21.415 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.345 -2.004 -22.705 1.00 0.00 O ATOM 0 H ASP A 47 -5.495 -5.060 -19.330 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.546 -2.286 -18.822 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.394 -3.454 -20.718 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.930 -4.047 -21.317 1.00 0.00 H new ATOM 729 N ALA A 48 -8.441 -3.490 -19.742 1.00 0.00 N ATOM 730 CA ALA A 48 -9.885 -3.229 -19.883 1.00 0.00 C ATOM 731 C ALA A 48 -10.530 -2.506 -18.675 1.00 0.00 C ATOM 732 O ALA A 48 -11.610 -1.920 -18.788 1.00 0.00 O ATOM 733 CB ALA A 48 -10.589 -4.566 -20.147 1.00 0.00 C ATOM 0 H ALA A 48 -8.207 -4.478 -19.841 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.008 -2.539 -20.718 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.661 -4.398 -20.255 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.197 -5.009 -21.063 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.410 -5.243 -19.311 1.00 0.00 H new ATOM 739 N THR A 49 -9.861 -2.558 -17.522 1.00 0.00 N ATOM 740 CA THR A 49 -10.225 -1.892 -16.261 1.00 0.00 C ATOM 741 C THR A 49 -9.060 -1.073 -15.648 1.00 0.00 C ATOM 742 O THR A 49 -9.108 -0.692 -14.476 1.00 0.00 O ATOM 743 CB THR A 49 -10.865 -2.928 -15.310 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.453 -2.351 -14.165 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.905 -4.040 -14.886 1.00 0.00 C ATOM 0 H THR A 49 -8.999 -3.097 -17.434 1.00 0.00 H new ATOM 0 HA THR A 49 -10.976 -1.128 -16.459 1.00 0.00 H new ATOM 0 HB THR A 49 -11.658 -3.375 -15.910 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.900 -1.604 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.421 -4.731 -14.219 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.558 -4.578 -15.769 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.051 -3.605 -14.367 1.00 0.00 H new ATOM 753 N LYS A 50 -7.971 -0.825 -16.399 1.00 0.00 N ATOM 754 CA LYS A 50 -6.738 -0.152 -15.949 1.00 0.00 C ATOM 755 C LYS A 50 -6.264 -0.564 -14.532 1.00 0.00 C ATOM 756 O LYS A 50 -5.915 0.279 -13.700 1.00 0.00 O ATOM 757 CB LYS A 50 -6.890 1.374 -16.126 1.00 0.00 C ATOM 758 CG LYS A 50 -7.238 1.835 -17.555 1.00 0.00 C ATOM 759 CD LYS A 50 -6.173 1.430 -18.584 1.00 0.00 C ATOM 760 CE LYS A 50 -6.453 2.071 -19.946 1.00 0.00 C ATOM 761 NZ LYS A 50 -5.388 1.768 -20.924 1.00 0.00 N ATOM 0 H LYS A 50 -7.924 -1.101 -17.380 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.925 -0.497 -16.588 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.667 1.727 -15.448 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.959 1.854 -15.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.199 1.410 -17.846 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.353 2.919 -17.565 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.187 1.734 -18.231 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.155 0.345 -18.686 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.409 1.712 -20.327 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.542 3.151 -19.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.630 2.191 -21.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.486 2.162 -20.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.297 0.737 -21.030 1.00 0.00 H new ATOM 775 N THR A 51 -6.276 -1.872 -14.251 1.00 0.00 N ATOM 776 CA THR A 51 -6.015 -2.402 -12.891 1.00 0.00 C ATOM 777 C THR A 51 -4.986 -3.537 -12.875 1.00 0.00 C ATOM 778 O THR A 51 -5.004 -4.441 -13.713 1.00 0.00 O ATOM 779 CB THR A 51 -7.319 -2.839 -12.188 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.236 -1.768 -12.084 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.111 -3.341 -10.754 1.00 0.00 C ATOM 0 H THR A 51 -6.464 -2.594 -14.947 1.00 0.00 H new ATOM 0 HA THR A 51 -5.582 -1.574 -12.330 1.00 0.00 H new ATOM 0 HB THR A 51 -7.695 -3.647 -12.815 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.481 -1.458 -12.981 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.071 -3.629 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.444 -4.203 -10.763 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.669 -2.548 -10.151 1.00 0.00 H new ATOM 789 N PHE A 52 -4.096 -3.488 -11.884 1.00 0.00 N ATOM 790 CA PHE A 52 -3.050 -4.453 -11.547 1.00 0.00 C ATOM 791 C PHE A 52 -3.492 -5.282 -10.325 1.00 0.00 C ATOM 792 O PHE A 52 -4.171 -4.764 -9.433 1.00 0.00 O ATOM 793 CB PHE A 52 -1.739 -3.720 -11.217 1.00 0.00 C ATOM 794 CG PHE A 52 -1.057 -3.033 -12.382 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.378 -1.701 -12.715 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.089 -3.726 -13.135 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.750 -1.074 -13.806 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.532 -3.102 -14.231 1.00 0.00 C ATOM 799 CZ PHE A 52 0.192 -1.782 -14.571 1.00 0.00 C ATOM 0 H PHE A 52 -4.089 -2.699 -11.237 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.886 -5.111 -12.401 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.945 -2.974 -10.450 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.042 -4.438 -10.784 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.108 -1.161 -12.131 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.177 -4.739 -12.870 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.991 -0.051 -14.055 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.270 -3.637 -14.811 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.657 -1.310 -15.424 1.00 0.00 H new ATOM 809 N THR A 53 -3.113 -6.557 -10.272 1.00 0.00 N ATOM 810 CA THR A 53 -3.424 -7.465 -9.152 1.00 0.00 C ATOM 811 C THR A 53 -2.189 -8.276 -8.740 1.00 0.00 C ATOM 812 O THR A 53 -1.555 -8.924 -9.577 1.00 0.00 O ATOM 813 CB THR A 53 -4.576 -8.427 -9.508 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.726 -7.721 -9.923 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.994 -9.308 -8.328 1.00 0.00 C ATOM 0 H THR A 53 -2.573 -7.003 -11.014 1.00 0.00 H new ATOM 0 HA THR A 53 -3.737 -6.842 -8.314 1.00 0.00 H new ATOM 0 HB THR A 53 -4.188 -9.051 -10.313 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.438 -8.357 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.808 -9.965 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.145 -9.909 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.328 -8.678 -7.504 1.00 0.00 H new ATOM 823 N VAL A 54 -1.847 -8.223 -7.450 1.00 0.00 N ATOM 824 CA VAL A 54 -0.616 -8.811 -6.873 1.00 0.00 C ATOM 825 C VAL A 54 -0.933 -9.794 -5.738 1.00 0.00 C ATOM 826 O VAL A 54 -1.746 -9.501 -4.862 1.00 0.00 O ATOM 827 CB VAL A 54 0.366 -7.719 -6.402 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.705 -8.325 -5.961 1.00 0.00 C ATOM 829 CG2 VAL A 54 0.682 -6.737 -7.536 1.00 0.00 C ATOM 0 H VAL A 54 -2.428 -7.759 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.129 -9.375 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.120 -7.211 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.375 -7.529 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.537 -9.018 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.156 -8.859 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.376 -5.978 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.133 -7.276 -8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.239 -6.258 -7.870 1.00 0.00 H new ATOM 839 N THR A 55 -0.289 -10.963 -5.785 1.00 0.00 N ATOM 840 CA THR A 55 -0.532 -12.086 -4.854 1.00 0.00 C ATOM 841 C THR A 55 0.750 -12.747 -4.310 1.00 0.00 C ATOM 842 O THR A 55 1.488 -13.374 -5.078 1.00 0.00 O ATOM 843 CB THR A 55 -1.491 -13.121 -5.479 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.714 -12.515 -5.846 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.849 -14.264 -4.526 1.00 0.00 C ATOM 0 H THR A 55 0.429 -11.167 -6.480 1.00 0.00 H new ATOM 0 HA THR A 55 -1.013 -11.649 -3.979 1.00 0.00 H new ATOM 0 HB THR A 55 -0.955 -13.517 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.307 -13.188 -6.241 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.526 -14.957 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.941 -14.792 -4.233 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.335 -13.859 -3.639 1.00 0.00 H new ATOM 853 N GLU A 56 1.018 -12.589 -3.000 1.00 0.00 N ATOM 854 CA GLU A 56 2.147 -13.228 -2.272 1.00 0.00 C ATOM 855 C GLU A 56 2.244 -14.742 -2.509 1.00 0.00 C ATOM 856 O GLU A 56 1.225 -15.447 -2.339 1.00 0.00 O ATOM 857 CB GLU A 56 2.103 -12.975 -0.757 1.00 0.00 C ATOM 858 CG GLU A 56 2.216 -11.490 -0.393 1.00 0.00 C ATOM 859 CD GLU A 56 2.318 -11.237 1.109 1.00 0.00 C ATOM 860 OE1 GLU A 56 2.139 -12.179 1.914 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.533 -10.064 1.481 1.00 0.00 O ATOM 862 OXT GLU A 56 3.353 -15.211 -2.842 1.00 0.00 O ATOM 0 H GLU A 56 0.444 -11.999 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 56 3.032 -12.749 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.171 -13.372 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.915 -13.523 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.093 -11.069 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.347 -10.961 -0.784 1.00 0.00 H new ATOM 870 N MET B 1 -3.649 -9.430 16.780 1.00 0.00 N ATOM 871 CA MET B 1 -4.748 -8.453 16.564 1.00 0.00 C ATOM 872 C MET B 1 -4.621 -7.808 15.186 1.00 0.00 C ATOM 873 O MET B 1 -3.513 -7.524 14.735 1.00 0.00 O ATOM 874 CB MET B 1 -4.773 -7.406 17.697 1.00 0.00 C ATOM 875 CG MET B 1 -5.933 -6.407 17.592 1.00 0.00 C ATOM 876 SD MET B 1 -6.045 -5.247 18.985 1.00 0.00 S ATOM 877 CE MET B 1 -6.673 -6.335 20.294 1.00 0.00 C ATOM 0 H1 MET B 1 -3.698 -9.798 17.751 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.746 -10.216 16.106 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.733 -8.960 16.634 1.00 0.00 H new ATOM 0 HA MET B 1 -5.703 -8.978 16.591 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.836 -7.922 18.655 1.00 0.00 H new ATOM 0 HB3 MET B 1 -3.831 -6.857 17.692 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.826 -5.839 16.668 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.869 -6.961 17.519 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.928 -5.740 21.171 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.561 -6.857 19.938 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.907 -7.063 20.561 1.00 0.00 H new ATOM 889 N GLN B 2 -5.749 -7.595 14.500 1.00 0.00 N ATOM 890 CA GLN B 2 -5.800 -6.895 13.205 1.00 0.00 C ATOM 891 C GLN B 2 -5.575 -5.376 13.370 1.00 0.00 C ATOM 892 O GLN B 2 -6.226 -4.736 14.200 1.00 0.00 O ATOM 893 CB GLN B 2 -7.162 -7.142 12.526 1.00 0.00 C ATOM 894 CG GLN B 2 -7.143 -6.856 11.015 1.00 0.00 C ATOM 895 CD GLN B 2 -6.863 -8.105 10.208 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.767 -8.839 9.829 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.613 -8.384 9.919 1.00 0.00 N ATOM 0 H GLN B 2 -6.663 -7.906 14.829 1.00 0.00 H new ATOM 0 HA GLN B 2 -4.998 -7.292 12.583 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.461 -8.177 12.690 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -7.917 -6.514 12.999 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.102 -6.436 10.713 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.384 -6.105 10.797 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.866 -7.767 10.238 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.389 -9.217 9.375 1.00 0.00 H new ATOM 906 N TYR B 3 -4.687 -4.803 12.558 1.00 0.00 N ATOM 907 CA TYR B 3 -4.453 -3.356 12.419 1.00 0.00 C ATOM 908 C TYR B 3 -4.594 -2.883 10.960 1.00 0.00 C ATOM 909 O TYR B 3 -4.439 -3.679 10.030 1.00 0.00 O ATOM 910 CB TYR B 3 -3.069 -3.003 12.974 1.00 0.00 C ATOM 911 CG TYR B 3 -2.922 -3.202 14.472 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.523 -4.451 14.987 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.175 -2.136 15.355 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.404 -4.642 16.377 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.065 -2.331 16.744 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.694 -3.585 17.255 1.00 0.00 C ATOM 917 OH TYR B 3 -2.611 -3.769 18.602 1.00 0.00 O ATOM 0 H TYR B 3 -4.082 -5.354 11.950 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.218 -2.834 12.994 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.321 -3.611 12.464 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.850 -1.962 12.735 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.307 -5.266 14.312 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.454 -1.168 14.966 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.090 -5.599 16.767 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.267 -1.513 17.420 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.844 -2.935 19.061 1.00 0.00 H new ATOM 927 N LYS B 4 -4.834 -1.588 10.746 1.00 0.00 N ATOM 928 CA LYS B 4 -5.122 -0.993 9.427 1.00 0.00 C ATOM 929 C LYS B 4 -4.322 0.309 9.176 1.00 0.00 C ATOM 930 O LYS B 4 -3.953 1.003 10.119 1.00 0.00 O ATOM 931 CB LYS B 4 -6.645 -0.767 9.346 1.00 0.00 C ATOM 932 CG LYS B 4 -7.138 -0.381 7.944 1.00 0.00 C ATOM 933 CD LYS B 4 -8.653 -0.159 7.889 1.00 0.00 C ATOM 934 CE LYS B 4 -9.004 0.268 6.461 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.443 0.529 6.279 1.00 0.00 N ATOM 0 H LYS B 4 -4.835 -0.901 11.500 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.801 -1.672 8.637 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.156 -1.676 9.664 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.925 0.018 10.049 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.630 0.528 7.623 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.864 -1.166 7.239 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.184 -1.072 8.158 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.954 0.607 8.603 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.442 1.167 6.207 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.690 -0.511 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.597 1.004 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.964 -0.371 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.785 1.138 7.049 1.00 0.00 H new ATOM 949 N LEU B 5 -4.089 0.663 7.909 1.00 0.00 N ATOM 950 CA LEU B 5 -3.343 1.840 7.439 1.00 0.00 C ATOM 951 C LEU B 5 -4.129 2.556 6.323 1.00 0.00 C ATOM 952 O LEU B 5 -4.471 1.933 5.318 1.00 0.00 O ATOM 953 CB LEU B 5 -1.975 1.340 6.930 1.00 0.00 C ATOM 954 CG LEU B 5 -0.834 2.335 6.650 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.090 3.279 5.479 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.467 3.161 7.877 1.00 0.00 C ATOM 0 H LEU B 5 -4.438 0.101 7.132 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.200 2.562 8.243 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.603 0.621 7.660 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.157 0.791 6.006 1.00 0.00 H new ATOM 0 HG LEU B 5 0.002 1.691 6.375 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.235 3.944 5.354 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.234 2.698 4.568 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.984 3.870 5.677 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.342 3.846 7.625 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.336 3.731 8.205 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.144 2.497 8.679 1.00 0.00 H new ATOM 968 N ILE B 6 -4.389 3.853 6.482 1.00 0.00 N ATOM 969 CA ILE B 6 -5.004 4.744 5.478 1.00 0.00 C ATOM 970 C ILE B 6 -3.917 5.669 4.919 1.00 0.00 C ATOM 971 O ILE B 6 -3.247 6.361 5.693 1.00 0.00 O ATOM 972 CB ILE B 6 -6.133 5.591 6.121 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.147 4.693 6.862 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.805 6.482 5.054 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.310 5.442 7.525 1.00 0.00 C ATOM 0 H ILE B 6 -4.170 4.341 7.351 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.440 4.145 4.678 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.697 6.251 6.871 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.555 3.971 6.155 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.617 4.125 7.627 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.596 7.072 5.518 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.062 7.150 4.618 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.232 5.854 4.272 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.968 4.728 8.020 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.918 6.144 8.261 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.871 5.987 6.766 1.00 0.00 H new ATOM 987 N LEU B 7 -3.710 5.713 3.602 1.00 0.00 N ATOM 988 CA LEU B 7 -2.611 6.409 2.939 1.00 0.00 C ATOM 989 C LEU B 7 -3.144 7.589 2.098 1.00 0.00 C ATOM 990 O LEU B 7 -3.951 7.393 1.183 1.00 0.00 O ATOM 991 CB LEU B 7 -1.887 5.360 2.073 1.00 0.00 C ATOM 992 CG LEU B 7 -0.702 5.907 1.264 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.350 6.591 2.133 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.033 4.755 0.524 1.00 0.00 C ATOM 0 H LEU B 7 -4.331 5.244 2.942 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.918 6.843 3.659 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.530 4.558 2.719 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.607 4.917 1.384 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.103 6.653 0.578 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.161 6.956 1.503 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.104 7.429 2.662 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.745 5.877 2.856 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.810 5.134 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.323 4.018 1.244 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.752 4.288 -0.148 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.702 8.802 2.428 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.097 10.045 1.766 1.00 0.00 C ATOM 1008 C ASN B 8 -1.864 10.749 1.162 1.00 0.00 C ATOM 1009 O ASN B 8 -0.956 11.184 1.876 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.860 10.962 2.737 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.876 10.264 3.622 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.071 10.237 3.354 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.407 9.721 4.723 1.00 0.00 N ATOM 0 H ASN B 8 -2.038 8.951 3.188 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.775 9.805 0.947 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.137 11.472 3.374 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.373 11.730 2.159 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.042 9.264 5.377 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.408 9.757 4.924 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.832 10.860 -0.162 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.709 11.425 -0.925 1.00 0.00 C ATOM 1022 C GLY B 9 -1.072 11.947 -2.320 1.00 0.00 C ATOM 1023 O GLY B 9 -2.221 11.864 -2.757 1.00 0.00 O ATOM 0 H GLY B 9 -2.603 10.554 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.273 12.242 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.062 10.661 -1.028 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.082 12.508 -3.012 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.228 13.192 -4.307 1.00 0.00 C ATOM 1029 C LYS B 10 0.211 12.304 -5.489 1.00 0.00 C ATOM 1030 O LYS B 10 -0.368 12.372 -6.576 1.00 0.00 O ATOM 1031 CB LYS B 10 0.603 14.488 -4.287 1.00 0.00 C ATOM 1032 CG LYS B 10 0.103 15.510 -3.248 1.00 0.00 C ATOM 1033 CD LYS B 10 1.013 16.747 -3.139 1.00 0.00 C ATOM 1034 CE LYS B 10 1.156 17.569 -4.429 1.00 0.00 C ATOM 1035 NZ LYS B 10 -0.103 18.236 -4.823 1.00 0.00 N ATOM 0 H LYS B 10 0.882 12.501 -2.678 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.284 13.419 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.643 14.242 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.579 14.944 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -0.905 15.829 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.037 15.027 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.624 17.396 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS B 10 2.004 16.422 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS B 10 1.933 18.321 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS B 10 1.484 16.915 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 0.050 18.776 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -0.840 17.520 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.405 18.882 -4.066 1.00 0.00 H new ATOM 1049 N THR B 11 1.202 11.434 -5.268 1.00 0.00 N ATOM 1050 CA THR B 11 1.603 10.378 -6.220 1.00 0.00 C ATOM 1051 C THR B 11 0.661 9.162 -6.145 1.00 0.00 C ATOM 1052 O THR B 11 0.269 8.599 -7.170 1.00 0.00 O ATOM 1053 CB THR B 11 3.047 9.928 -5.915 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.949 11.001 -6.095 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.551 8.776 -6.784 1.00 0.00 C ATOM 0 H THR B 11 1.759 11.439 -4.414 1.00 0.00 H new ATOM 0 HA THR B 11 1.543 10.792 -7.227 1.00 0.00 H new ATOM 0 HB THR B 11 3.010 9.584 -4.881 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.860 10.699 -5.896 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.573 8.527 -6.500 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.912 7.905 -6.640 1.00 0.00 H new ATOM 0 HG23 THR B 11 3.528 9.074 -7.832 1.00 0.00 H new ATOM 1063 N LEU B 12 0.275 8.760 -4.929 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.500 7.544 -4.657 1.00 0.00 C ATOM 1065 C LEU B 12 -1.383 7.688 -3.397 1.00 0.00 C ATOM 1066 O LEU B 12 -1.007 8.347 -2.424 1.00 0.00 O ATOM 1067 CB LEU B 12 0.511 6.376 -4.584 1.00 0.00 C ATOM 1068 CG LEU B 12 -0.080 4.971 -4.344 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.764 3.909 -5.046 1.00 0.00 C ATOM 1070 CD2 LEU B 12 -0.104 4.617 -2.860 1.00 0.00 C ATOM 0 H LEU B 12 0.499 9.286 -4.084 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.218 7.348 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.076 6.354 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.222 6.589 -3.785 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.096 4.989 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.333 2.924 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.781 4.108 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.781 3.936 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.527 3.621 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU B 12 0.912 4.634 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.714 5.343 -2.323 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.547 7.040 -3.424 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.510 6.938 -2.314 1.00 0.00 C ATOM 1084 C LYS B 13 -3.980 5.484 -2.132 1.00 0.00 C ATOM 1085 O LYS B 13 -3.954 4.702 -3.083 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.729 7.836 -2.591 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.396 9.332 -2.666 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.669 10.161 -2.887 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.331 11.653 -2.982 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.536 12.478 -3.203 1.00 0.00 N ATOM 0 H LYS B 13 -2.865 6.546 -4.258 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.013 7.265 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.188 7.529 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.470 7.678 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.906 9.647 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.693 9.513 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.167 9.836 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.367 9.992 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.836 11.972 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.626 11.814 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.265 13.480 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.995 12.191 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -7.198 12.344 -2.412 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.436 5.101 -0.937 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.915 3.732 -0.690 1.00 0.00 C ATOM 1106 C GLY B 14 -5.221 3.380 0.767 1.00 0.00 C ATOM 1107 O GLY B 14 -5.199 4.236 1.654 1.00 0.00 O ATOM 0 H GLY B 14 -4.485 5.716 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.818 3.573 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.165 3.034 -1.062 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.490 2.094 1.001 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.755 1.472 2.317 1.00 0.00 C ATOM 1113 C GLU B 15 -5.198 0.049 2.380 1.00 0.00 C ATOM 1114 O GLU B 15 -5.317 -0.710 1.416 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.262 1.395 2.623 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.908 2.759 2.877 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.414 2.649 3.095 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.868 1.712 3.789 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.147 3.526 2.585 1.00 0.00 O ATOM 0 H GLU B 15 -5.533 1.414 0.242 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.262 2.107 3.053 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.769 0.912 1.788 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.414 0.762 3.497 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.448 3.220 3.751 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.712 3.416 2.030 1.00 0.00 H new ATOM 1126 N THR B 16 -4.612 -0.324 3.517 1.00 0.00 N ATOM 1127 CA THR B 16 -4.053 -1.672 3.762 1.00 0.00 C ATOM 1128 C THR B 16 -4.332 -2.191 5.182 1.00 0.00 C ATOM 1129 O THR B 16 -4.646 -1.410 6.082 1.00 0.00 O ATOM 1130 CB THR B 16 -2.532 -1.753 3.497 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.763 -1.217 4.545 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.051 -1.046 2.232 1.00 0.00 C ATOM 0 H THR B 16 -4.506 0.305 4.313 1.00 0.00 H new ATOM 0 HA THR B 16 -4.572 -2.309 3.045 1.00 0.00 H new ATOM 0 HB THR B 16 -2.386 -2.828 3.391 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.811 -1.296 4.326 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.971 -1.162 2.138 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.540 -1.484 1.362 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.298 0.014 2.291 1.00 0.00 H new ATOM 1140 N THR B 17 -4.199 -3.501 5.398 1.00 0.00 N ATOM 1141 CA THR B 17 -4.531 -4.191 6.660 1.00 0.00 C ATOM 1142 C THR B 17 -3.542 -5.336 6.942 1.00 0.00 C ATOM 1143 O THR B 17 -3.134 -6.053 6.026 1.00 0.00 O ATOM 1144 CB THR B 17 -5.972 -4.760 6.626 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.891 -3.880 6.006 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.534 -5.048 8.014 1.00 0.00 C ATOM 0 H THR B 17 -3.847 -4.136 4.682 1.00 0.00 H new ATOM 0 HA THR B 17 -4.459 -3.451 7.457 1.00 0.00 H new ATOM 0 HB THR B 17 -5.871 -5.683 6.056 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.784 -4.284 6.008 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.545 -5.444 7.922 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.902 -5.780 8.518 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.557 -4.126 8.596 1.00 0.00 H new ATOM 1154 N THR B 18 -3.154 -5.519 8.206 1.00 0.00 N ATOM 1155 CA THR B 18 -2.138 -6.480 8.689 1.00 0.00 C ATOM 1156 C THR B 18 -2.543 -7.091 10.042 1.00 0.00 C ATOM 1157 O THR B 18 -3.469 -6.598 10.692 1.00 0.00 O ATOM 1158 CB THR B 18 -0.751 -5.803 8.800 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.286 -6.746 8.953 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.623 -4.837 9.985 1.00 0.00 C ATOM 0 H THR B 18 -3.557 -4.975 8.968 1.00 0.00 H new ATOM 0 HA THR B 18 -2.075 -7.287 7.959 1.00 0.00 H new ATOM 0 HB THR B 18 -0.661 -5.252 7.864 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.441 -7.203 8.100 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.377 -4.403 9.994 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.362 -4.042 9.888 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.792 -5.378 10.916 1.00 0.00 H new ATOM 1168 N GLU B 19 -1.889 -8.171 10.487 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.095 -8.799 11.813 1.00 0.00 C ATOM 1170 C GLU B 19 -0.773 -8.922 12.567 1.00 0.00 C ATOM 1171 O GLU B 19 0.149 -9.607 12.121 1.00 0.00 O ATOM 1172 CB GLU B 19 -2.778 -10.169 11.685 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.062 -10.803 13.047 1.00 0.00 C ATOM 1174 CD GLU B 19 -3.818 -12.112 12.876 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -3.180 -13.126 12.516 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.042 -12.126 13.133 1.00 0.00 O ATOM 0 H GLU B 19 -1.183 -8.650 9.927 1.00 0.00 H new ATOM 0 HA GLU B 19 -2.758 -8.150 12.386 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -3.713 -10.057 11.136 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.144 -10.836 11.101 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.125 -10.983 13.574 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.645 -10.116 13.660 1.00 0.00 H new ATOM 1183 N ALA B 20 -0.695 -8.239 13.706 1.00 0.00 N ATOM 1184 CA ALA B 20 0.509 -8.045 14.494 1.00 0.00 C ATOM 1185 C ALA B 20 0.281 -8.378 15.974 1.00 0.00 C ATOM 1186 O ALA B 20 -0.854 -8.485 16.457 1.00 0.00 O ATOM 1187 CB ALA B 20 0.928 -6.583 14.323 1.00 0.00 C ATOM 0 H ALA B 20 -1.510 -7.786 14.120 1.00 0.00 H new ATOM 0 HA ALA B 20 1.293 -8.718 14.148 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.832 -6.394 14.901 1.00 0.00 H new ATOM 0 HB2 ALA B 20 1.122 -6.381 13.270 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.129 -5.932 14.676 1.00 0.00 H new ATOM 1193 N VAL B 21 1.384 -8.526 16.702 1.00 0.00 N ATOM 1194 CA VAL B 21 1.359 -8.761 18.155 1.00 0.00 C ATOM 1195 C VAL B 21 0.866 -7.521 18.908 1.00 0.00 C ATOM 1196 O VAL B 21 0.052 -7.659 19.826 1.00 0.00 O ATOM 1197 CB VAL B 21 2.723 -9.255 18.666 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.853 -8.314 18.245 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.759 -9.471 20.184 1.00 0.00 C ATOM 0 H VAL B 21 2.324 -8.488 16.308 1.00 0.00 H new ATOM 0 HA VAL B 21 0.643 -9.558 18.356 1.00 0.00 H new ATOM 0 HB VAL B 21 2.875 -10.228 18.199 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.802 -8.693 18.623 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.892 -8.257 17.157 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.671 -7.320 18.654 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.749 -9.819 20.479 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.539 -8.531 20.691 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.014 -10.216 20.463 1.00 0.00 H new ATOM 1209 N ASP B 22 1.246 -6.299 18.496 1.00 0.00 N ATOM 1210 CA ASP B 22 0.816 -5.028 19.087 1.00 0.00 C ATOM 1211 C ASP B 22 0.937 -3.906 18.035 1.00 0.00 C ATOM 1212 O ASP B 22 1.586 -4.061 16.993 1.00 0.00 O ATOM 1213 CB ASP B 22 1.764 -4.690 20.263 1.00 0.00 C ATOM 1214 CG ASP B 22 1.147 -3.846 21.397 1.00 0.00 C ATOM 1215 OD1 ASP B 22 1.099 -2.600 21.267 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.751 -4.425 22.437 1.00 0.00 O ATOM 0 H ASP B 22 1.885 -6.169 17.712 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.216 -5.111 19.428 1.00 0.00 H new ATOM 0 HB2 ASP B 22 2.132 -5.623 20.689 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.629 -4.157 19.867 1.00 0.00 H new ATOM 1221 N ALA B 23 0.360 -2.767 18.377 1.00 0.00 N ATOM 1222 CA ALA B 23 0.331 -1.543 17.574 1.00 0.00 C ATOM 1223 C ALA B 23 1.733 -1.092 17.124 1.00 0.00 C ATOM 1224 O ALA B 23 1.883 -0.534 16.043 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.373 -0.434 18.365 1.00 0.00 C ATOM 0 H ALA B 23 -0.127 -2.659 19.266 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.226 -1.756 16.661 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.396 0.479 17.770 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.393 -0.743 18.596 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.169 -0.249 19.293 1.00 0.00 H new ATOM 1231 N ALA B 24 2.779 -1.384 17.900 1.00 0.00 N ATOM 1232 CA ALA B 24 4.154 -1.058 17.568 1.00 0.00 C ATOM 1233 C ALA B 24 4.715 -1.967 16.463 1.00 0.00 C ATOM 1234 O ALA B 24 5.459 -1.496 15.607 1.00 0.00 O ATOM 1235 CB ALA B 24 5.017 -1.129 18.833 1.00 0.00 C ATOM 0 H ALA B 24 2.684 -1.864 18.795 1.00 0.00 H new ATOM 0 HA ALA B 24 4.177 -0.042 17.173 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.049 -0.884 18.583 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.643 -0.417 19.569 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.973 -2.136 19.247 1.00 0.00 H new ATOM 1241 N THR B 25 4.338 -3.250 16.411 1.00 0.00 N ATOM 1242 CA THR B 25 4.688 -4.164 15.312 1.00 0.00 C ATOM 1243 C THR B 25 3.856 -3.881 14.054 1.00 0.00 C ATOM 1244 O THR B 25 4.414 -3.813 12.962 1.00 0.00 O ATOM 1245 CB THR B 25 4.536 -5.624 15.763 1.00 0.00 C ATOM 1246 OG1 THR B 25 5.322 -5.831 16.918 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.986 -6.641 14.714 1.00 0.00 C ATOM 0 H THR B 25 3.775 -3.690 17.139 1.00 0.00 H new ATOM 0 HA THR B 25 5.732 -3.991 15.050 1.00 0.00 H new ATOM 0 HB THR B 25 3.473 -5.780 15.944 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.755 -6.709 16.866 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.849 -7.650 15.103 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.391 -6.518 13.809 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.039 -6.482 14.481 1.00 0.00 H new ATOM 1255 N ALA B 26 2.552 -3.596 14.171 1.00 0.00 N ATOM 1256 CA ALA B 26 1.755 -3.132 13.018 1.00 0.00 C ATOM 1257 C ALA B 26 2.275 -1.814 12.400 1.00 0.00 C ATOM 1258 O ALA B 26 2.387 -1.689 11.180 1.00 0.00 O ATOM 1259 CB ALA B 26 0.307 -2.940 13.460 1.00 0.00 C ATOM 0 H ALA B 26 2.027 -3.676 15.042 1.00 0.00 H new ATOM 0 HA ALA B 26 1.839 -3.897 12.246 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.289 -2.597 12.614 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.091 -3.887 13.824 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.265 -2.198 14.258 1.00 0.00 H new ATOM 1265 N GLU B 27 2.694 -0.895 13.277 1.00 0.00 N ATOM 1266 CA GLU B 27 3.402 0.343 12.882 1.00 0.00 C ATOM 1267 C GLU B 27 4.754 0.034 12.249 1.00 0.00 C ATOM 1268 O GLU B 27 5.111 0.648 11.245 1.00 0.00 O ATOM 1269 CB GLU B 27 3.591 1.335 14.041 1.00 0.00 C ATOM 1270 CG GLU B 27 3.919 2.737 13.520 1.00 0.00 C ATOM 1271 CD GLU B 27 4.344 3.672 14.645 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.635 3.771 15.670 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.386 4.341 14.464 1.00 0.00 O ATOM 0 H GLU B 27 2.555 -0.982 14.284 1.00 0.00 H new ATOM 0 HA GLU B 27 2.756 0.822 12.146 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.684 1.371 14.644 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.393 0.989 14.692 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.716 2.673 12.780 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.047 3.150 13.014 1.00 0.00 H new ATOM 1280 N LYS B 28 5.482 -0.961 12.766 1.00 0.00 N ATOM 1281 CA LYS B 28 6.742 -1.400 12.147 1.00 0.00 C ATOM 1282 C LYS B 28 6.526 -1.965 10.725 1.00 0.00 C ATOM 1283 O LYS B 28 7.193 -1.521 9.790 1.00 0.00 O ATOM 1284 CB LYS B 28 7.440 -2.415 13.070 1.00 0.00 C ATOM 1285 CG LYS B 28 8.849 -2.815 12.605 1.00 0.00 C ATOM 1286 CD LYS B 28 9.451 -3.932 13.479 1.00 0.00 C ATOM 1287 CE LYS B 28 9.577 -3.525 14.954 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.217 -4.582 15.766 1.00 0.00 N ATOM 0 H LYS B 28 5.224 -1.477 13.607 1.00 0.00 H new ATOM 0 HA LYS B 28 7.391 -0.532 12.027 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.505 -1.994 14.073 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.823 -3.311 13.140 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.807 -3.149 11.568 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.501 -1.942 12.633 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.827 -4.823 13.404 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.435 -4.199 13.094 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.160 -2.607 15.029 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.588 -3.308 15.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.283 -4.268 16.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.648 -5.451 15.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.171 -4.772 15.399 1.00 0.00 H new ATOM 1302 N VAL B 29 5.573 -2.886 10.520 1.00 0.00 N ATOM 1303 CA VAL B 29 5.222 -3.435 9.190 1.00 0.00 C ATOM 1304 C VAL B 29 4.842 -2.319 8.212 1.00 0.00 C ATOM 1305 O VAL B 29 5.444 -2.189 7.146 1.00 0.00 O ATOM 1306 CB VAL B 29 4.087 -4.482 9.306 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.556 -4.952 7.946 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.583 -5.731 10.051 1.00 0.00 C ATOM 0 H VAL B 29 5.015 -3.279 11.278 1.00 0.00 H new ATOM 0 HA VAL B 29 6.105 -3.937 8.793 1.00 0.00 H new ATOM 0 HB VAL B 29 3.284 -3.980 9.846 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.763 -5.684 8.098 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.161 -4.099 7.395 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.366 -5.408 7.377 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.773 -6.457 10.124 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.418 -6.172 9.506 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.911 -5.451 11.052 1.00 0.00 H new ATOM 1318 N PHE B 30 3.903 -1.457 8.599 1.00 0.00 N ATOM 1319 CA PHE B 30 3.501 -0.326 7.757 1.00 0.00 C ATOM 1320 C PHE B 30 4.664 0.641 7.443 1.00 0.00 C ATOM 1321 O PHE B 30 4.803 1.094 6.304 1.00 0.00 O ATOM 1322 CB PHE B 30 2.325 0.430 8.389 1.00 0.00 C ATOM 1323 CG PHE B 30 1.032 -0.358 8.565 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.550 -1.206 7.544 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.283 -0.214 9.750 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.658 -1.906 7.713 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.925 -0.914 9.919 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.400 -1.752 8.896 1.00 0.00 C ATOM 0 H PHE B 30 3.406 -1.518 9.488 1.00 0.00 H new ATOM 0 HA PHE B 30 3.184 -0.749 6.804 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.639 0.795 9.367 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.111 1.305 7.775 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.112 -1.318 6.629 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.639 0.438 10.534 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.015 -2.562 6.933 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.487 -0.807 10.835 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.335 -2.278 9.019 1.00 0.00 H new ATOM 1338 N LYS B 31 5.556 0.892 8.407 1.00 0.00 N ATOM 1339 CA LYS B 31 6.781 1.657 8.149 1.00 0.00 C ATOM 1340 C LYS B 31 7.797 0.935 7.248 1.00 0.00 C ATOM 1341 O LYS B 31 8.624 1.605 6.632 1.00 0.00 O ATOM 1342 CB LYS B 31 7.456 2.098 9.454 1.00 0.00 C ATOM 1343 CG LYS B 31 6.813 3.386 9.983 1.00 0.00 C ATOM 1344 CD LYS B 31 7.577 3.899 11.209 1.00 0.00 C ATOM 1345 CE LYS B 31 7.250 5.367 11.516 1.00 0.00 C ATOM 1346 NZ LYS B 31 5.860 5.562 11.968 1.00 0.00 N ATOM 0 H LYS B 31 5.453 0.577 9.372 1.00 0.00 H new ATOM 0 HA LYS B 31 6.449 2.537 7.598 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.369 1.308 10.200 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.520 2.259 9.283 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.812 4.147 9.202 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.772 3.199 10.247 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.330 3.284 12.074 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.648 3.794 11.039 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.931 5.733 12.284 1.00 0.00 H new ATOM 0 HE3 LYS B 31 7.424 5.967 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.715 6.559 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.206 5.304 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.677 4.961 12.797 1.00 0.00 H new ATOM 1360 N GLN B 32 7.759 -0.391 7.109 1.00 0.00 N ATOM 1361 CA GLN B 32 8.550 -1.132 6.111 1.00 0.00 C ATOM 1362 C GLN B 32 8.011 -0.895 4.684 1.00 0.00 C ATOM 1363 O GLN B 32 8.768 -0.564 3.770 1.00 0.00 O ATOM 1364 CB GLN B 32 8.506 -2.635 6.467 1.00 0.00 C ATOM 1365 CG GLN B 32 9.664 -3.461 5.897 1.00 0.00 C ATOM 1366 CD GLN B 32 10.998 -3.099 6.514 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.825 -2.432 5.905 1.00 0.00 O ATOM 1368 NE2 GLN B 32 11.250 -3.526 7.733 1.00 0.00 N ATOM 0 H GLN B 32 7.174 -0.992 7.690 1.00 0.00 H new ATOM 0 HA GLN B 32 9.580 -0.776 6.130 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.504 -2.738 7.552 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.567 -3.053 6.105 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.466 -4.520 6.064 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.715 -3.312 4.818 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.555 -4.081 8.233 1.00 0.00 H new ATOM 0 HE22 GLN B 32 12.140 -3.302 8.178 1.00 0.00 H new ATOM 1377 N TYR B 33 6.690 -1.012 4.498 1.00 0.00 N ATOM 1378 CA TYR B 33 5.989 -0.788 3.216 1.00 0.00 C ATOM 1379 C TYR B 33 5.986 0.690 2.746 1.00 0.00 C ATOM 1380 O TYR B 33 5.969 0.976 1.550 1.00 0.00 O ATOM 1381 CB TYR B 33 4.550 -1.324 3.338 1.00 0.00 C ATOM 1382 CG TYR B 33 4.406 -2.831 3.142 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.998 -3.747 4.037 1.00 0.00 C ATOM 1384 CD2 TYR B 33 3.663 -3.325 2.051 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.863 -5.133 3.832 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.518 -4.710 1.855 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.123 -5.616 2.742 1.00 0.00 C ATOM 1388 OH TYR B 33 3.992 -6.960 2.562 1.00 0.00 O ATOM 0 H TYR B 33 6.056 -1.272 5.254 1.00 0.00 H new ATOM 0 HA TYR B 33 6.541 -1.330 2.448 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.163 -1.062 4.323 1.00 0.00 H new ATOM 0 HB3 TYR B 33 3.925 -0.816 2.604 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.558 -3.382 4.885 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.202 -2.635 1.360 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.330 -5.827 4.515 1.00 0.00 H new ATOM 0 HE2 TYR B 33 2.940 -5.078 1.020 1.00 0.00 H new ATOM 0 HH TYR B 33 3.450 -7.132 1.764 1.00 0.00 H new ATOM 1398 N PHE B 34 6.034 1.597 3.720 1.00 0.00 N ATOM 1399 CA PHE B 34 5.879 3.054 3.526 1.00 0.00 C ATOM 1400 C PHE B 34 7.048 3.913 4.064 1.00 0.00 C ATOM 1401 O PHE B 34 6.853 5.050 4.502 1.00 0.00 O ATOM 1402 CB PHE B 34 4.476 3.519 3.951 1.00 0.00 C ATOM 1403 CG PHE B 34 3.339 2.715 3.334 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.170 2.675 1.933 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.466 1.976 4.156 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.152 1.887 1.365 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.446 1.192 3.588 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.289 1.147 2.192 1.00 0.00 C ATOM 0 H PHE B 34 6.186 1.341 4.696 1.00 0.00 H new ATOM 0 HA PHE B 34 5.953 3.236 2.454 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.400 3.461 5.037 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.355 4.567 3.678 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.824 3.251 1.295 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.581 2.012 5.229 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.033 1.851 0.292 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.783 0.624 4.224 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.506 0.545 1.755 1.00 0.00 H new ATOM 1418 N ASN B 35 8.274 3.374 4.032 1.00 0.00 N ATOM 1419 CA ASN B 35 9.474 4.000 4.596 1.00 0.00 C ATOM 1420 C ASN B 35 9.892 5.342 3.939 1.00 0.00 C ATOM 1421 O ASN B 35 9.943 6.376 4.613 1.00 0.00 O ATOM 1422 CB ASN B 35 10.620 2.969 4.538 1.00 0.00 C ATOM 1423 CG ASN B 35 11.608 3.216 5.657 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.646 3.844 5.489 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.283 2.739 6.840 1.00 0.00 N ATOM 0 H ASN B 35 8.462 2.468 3.602 1.00 0.00 H new ATOM 0 HA ASN B 35 9.239 4.280 5.623 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.215 1.960 4.618 1.00 0.00 H new ATOM 0 HB3 ASN B 35 11.127 3.033 3.575 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.900 2.890 7.638 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.414 2.219 6.959 1.00 0.00 H new ATOM 1432 N ASP B 36 10.202 5.321 2.632 1.00 0.00 N ATOM 1433 CA ASP B 36 10.781 6.447 1.856 1.00 0.00 C ATOM 1434 C ASP B 36 10.668 6.307 0.323 1.00 0.00 C ATOM 1435 O ASP B 36 11.352 7.003 -0.430 1.00 0.00 O ATOM 1436 CB ASP B 36 12.266 6.637 2.235 1.00 0.00 C ATOM 1437 CG ASP B 36 13.251 5.608 1.620 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.897 4.412 1.477 1.00 0.00 O ATOM 1439 OD2 ASP B 36 14.396 6.005 1.292 1.00 0.00 O ATOM 0 H ASP B 36 10.053 4.491 2.059 1.00 0.00 H new ATOM 0 HA ASP B 36 10.183 7.318 2.126 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.575 7.637 1.930 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.354 6.594 3.321 1.00 0.00 H new ATOM 1444 N ASN B 37 9.810 5.400 -0.142 1.00 0.00 N ATOM 1445 CA ASN B 37 9.538 5.204 -1.577 1.00 0.00 C ATOM 1446 C ASN B 37 8.876 6.439 -2.241 1.00 0.00 C ATOM 1447 O ASN B 37 9.096 6.719 -3.422 1.00 0.00 O ATOM 1448 CB ASN B 37 8.738 3.903 -1.772 1.00 0.00 C ATOM 1449 CG ASN B 37 7.582 3.702 -0.802 1.00 0.00 C ATOM 1450 OD1 ASN B 37 6.938 4.638 -0.340 1.00 0.00 O ATOM 1451 ND2 ASN B 37 7.352 2.465 -0.418 1.00 0.00 N ATOM 0 H ASN B 37 9.278 4.775 0.464 1.00 0.00 H new ATOM 0 HA ASN B 37 10.489 5.099 -2.100 1.00 0.00 H new ATOM 0 HB2 ASN B 37 8.346 3.885 -2.789 1.00 0.00 H new ATOM 0 HB3 ASN B 37 9.420 3.058 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.628 2.272 0.275 1.00 0.00 H new ATOM 0 HD22 ASN B 37 7.897 1.699 -0.813 1.00 0.00 H new ATOM 1458 N GLY B 38 8.114 7.202 -1.453 1.00 0.00 N ATOM 1459 CA GLY B 38 7.549 8.498 -1.862 1.00 0.00 C ATOM 1460 C GLY B 38 6.659 9.224 -0.850 1.00 0.00 C ATOM 1461 O GLY B 38 6.539 10.448 -0.921 1.00 0.00 O ATOM 0 H GLY B 38 7.867 6.937 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.375 9.160 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY B 38 6.969 8.342 -2.771 1.00 0.00 H new ATOM 1465 N VAL B 39 6.047 8.498 0.092 1.00 0.00 N ATOM 1466 CA VAL B 39 5.081 9.059 1.060 1.00 0.00 C ATOM 1467 C VAL B 39 5.705 10.149 1.947 1.00 0.00 C ATOM 1468 O VAL B 39 5.229 11.284 1.941 1.00 0.00 O ATOM 1469 CB VAL B 39 4.457 7.953 1.940 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.299 8.505 2.782 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.911 6.795 1.093 1.00 0.00 C ATOM 0 H VAL B 39 6.205 7.497 0.210 1.00 0.00 H new ATOM 0 HA VAL B 39 4.292 9.524 0.469 1.00 0.00 H new ATOM 0 HB VAL B 39 5.255 7.590 2.587 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.879 7.705 3.391 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.667 9.300 3.430 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.527 8.903 2.123 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.480 6.037 1.747 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.143 7.170 0.417 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.722 6.355 0.513 1.00 0.00 H new ATOM 1481 N ASP B 40 6.784 9.819 2.679 1.00 0.00 N ATOM 1482 CA ASP B 40 7.526 10.689 3.625 1.00 0.00 C ATOM 1483 C ASP B 40 6.648 11.685 4.426 1.00 0.00 C ATOM 1484 O ASP B 40 6.982 12.862 4.591 1.00 0.00 O ATOM 1485 CB ASP B 40 8.693 11.365 2.870 1.00 0.00 C ATOM 1486 CG ASP B 40 9.718 12.084 3.780 1.00 0.00 C ATOM 1487 OD1 ASP B 40 10.097 11.527 4.840 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.184 13.190 3.408 1.00 0.00 O ATOM 0 H ASP B 40 7.190 8.885 2.627 1.00 0.00 H new ATOM 0 HA ASP B 40 7.928 10.051 4.412 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.215 10.609 2.283 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.282 12.088 2.165 1.00 0.00 H new ATOM 1493 N GLY B 41 5.484 11.215 4.883 1.00 0.00 N ATOM 1494 CA GLY B 41 4.416 12.035 5.475 1.00 0.00 C ATOM 1495 C GLY B 41 4.353 12.010 7.006 1.00 0.00 C ATOM 1496 O GLY B 41 5.133 11.324 7.675 1.00 0.00 O ATOM 0 H GLY B 41 5.249 10.223 4.852 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.548 13.067 5.149 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.458 11.696 5.081 1.00 0.00 H new ATOM 1500 N GLU B 42 3.403 12.764 7.566 1.00 0.00 N ATOM 1501 CA GLU B 42 3.030 12.732 8.996 1.00 0.00 C ATOM 1502 C GLU B 42 2.221 11.471 9.315 1.00 0.00 C ATOM 1503 O GLU B 42 1.319 11.115 8.558 1.00 0.00 O ATOM 1504 CB GLU B 42 2.211 13.987 9.342 1.00 0.00 C ATOM 1505 CG GLU B 42 1.924 14.116 10.838 1.00 0.00 C ATOM 1506 CD GLU B 42 1.285 15.467 11.127 1.00 0.00 C ATOM 1507 OE1 GLU B 42 0.046 15.581 11.006 1.00 0.00 O ATOM 1508 OE2 GLU B 42 2.027 16.410 11.488 1.00 0.00 O ATOM 0 H GLU B 42 2.853 13.434 7.029 1.00 0.00 H new ATOM 0 HA GLU B 42 3.939 12.716 9.597 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.750 14.872 9.003 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.267 13.961 8.797 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.261 13.313 11.161 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.849 14.012 11.405 1.00 0.00 H new ATOM 1515 N TRP B 43 2.528 10.816 10.435 1.00 0.00 N ATOM 1516 CA TRP B 43 1.853 9.598 10.912 1.00 0.00 C ATOM 1517 C TRP B 43 0.893 9.889 12.086 1.00 0.00 C ATOM 1518 O TRP B 43 1.173 10.721 12.955 1.00 0.00 O ATOM 1519 CB TRP B 43 2.903 8.548 11.317 1.00 0.00 C ATOM 1520 CG TRP B 43 3.666 7.915 10.188 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.594 8.530 9.420 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.577 6.548 9.673 1.00 0.00 C ATOM 1523 NE1 TRP B 43 5.054 7.662 8.451 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.445 6.431 8.545 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.849 5.394 10.043 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.552 5.252 7.796 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.955 4.201 9.302 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.790 4.134 8.172 1.00 0.00 C ATOM 0 H TRP B 43 3.275 11.124 11.058 1.00 0.00 H new ATOM 0 HA TRP B 43 1.246 9.208 10.095 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.617 9.018 11.994 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.402 7.759 11.879 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.926 9.550 9.546 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.757 7.902 7.752 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.202 5.428 10.907 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.211 5.204 6.942 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.391 3.331 9.604 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.845 3.223 7.594 1.00 0.00 H new ATOM 1539 N THR B 44 -0.240 9.185 12.113 1.00 0.00 N ATOM 1540 CA THR B 44 -1.332 9.306 13.105 1.00 0.00 C ATOM 1541 C THR B 44 -1.865 7.919 13.493 1.00 0.00 C ATOM 1542 O THR B 44 -1.785 7.002 12.670 1.00 0.00 O ATOM 1543 CB THR B 44 -2.528 10.100 12.528 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.173 10.976 11.476 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.240 10.913 13.609 1.00 0.00 C ATOM 0 H THR B 44 -0.440 8.474 11.409 1.00 0.00 H new ATOM 0 HA THR B 44 -0.914 9.822 13.969 1.00 0.00 H new ATOM 0 HB THR B 44 -3.195 9.337 12.126 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.937 10.454 10.681 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.074 11.457 13.165 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.615 10.242 14.382 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.540 11.621 14.052 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.475 7.731 14.673 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.060 6.451 15.112 1.00 0.00 C ATOM 1555 C TYR B 45 -4.282 6.640 16.040 1.00 0.00 C ATOM 1556 O TYR B 45 -4.301 7.547 16.877 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.972 5.675 15.870 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.434 4.393 16.548 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.892 3.307 15.778 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.423 4.291 17.954 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.332 2.127 16.407 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.865 3.111 18.580 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.325 2.033 17.807 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.767 0.896 18.412 1.00 0.00 O ATOM 0 H TYR B 45 -2.578 8.476 15.362 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.409 5.913 14.230 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.173 5.428 15.171 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.543 6.331 16.627 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.906 3.379 14.701 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.075 5.120 18.552 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.675 1.294 15.812 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.850 3.034 19.657 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.045 1.100 19.329 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.273 5.748 15.918 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.467 5.631 16.777 1.00 0.00 C ATOM 1576 C ASP B 46 -6.511 4.276 17.492 1.00 0.00 C ATOM 1577 O ASP B 46 -6.637 3.240 16.832 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.731 5.787 15.914 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.992 6.018 16.757 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.344 5.100 17.526 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.614 7.103 16.654 1.00 0.00 O ATOM 0 H ASP B 46 -5.267 5.047 15.177 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.421 6.416 17.532 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.598 6.624 15.228 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -7.864 4.893 15.305 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.408 4.221 18.825 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.463 2.976 19.612 1.00 0.00 C ATOM 1588 C ASP B 47 -7.890 2.470 19.919 1.00 0.00 C ATOM 1589 O ASP B 47 -8.049 1.349 20.401 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.691 3.226 20.925 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.257 1.930 21.636 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.564 1.101 20.996 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -5.621 1.734 22.819 1.00 0.00 O ATOM 0 H ASP B 47 -6.282 5.054 19.401 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.013 2.185 19.012 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -4.807 3.827 20.709 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.317 3.810 21.600 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.910 3.300 19.669 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.321 2.858 19.722 1.00 0.00 C ATOM 1600 C ALA B 48 -10.792 2.045 18.479 1.00 0.00 C ATOM 1601 O ALA B 48 -11.820 1.365 18.530 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.232 4.068 19.958 1.00 0.00 C ATOM 0 H ALA B 48 -8.791 4.284 19.427 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.391 2.162 20.558 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.271 3.739 19.997 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.967 4.544 20.902 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.107 4.782 19.144 1.00 0.00 H new ATOM 1608 N THR B 49 -10.078 2.192 17.350 1.00 0.00 N ATOM 1609 CA THR B 49 -10.337 1.443 16.098 1.00 0.00 C ATOM 1610 C THR B 49 -9.114 0.747 15.451 1.00 0.00 C ATOM 1611 O THR B 49 -9.187 0.237 14.330 1.00 0.00 O ATOM 1612 CB THR B 49 -11.236 2.265 15.150 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.909 1.457 14.209 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.524 3.394 14.415 1.00 0.00 C ATOM 0 H THR B 49 -9.294 2.841 17.275 1.00 0.00 H new ATOM 0 HA THR B 49 -10.910 0.559 16.379 1.00 0.00 H new ATOM 0 HB THR B 49 -11.958 2.724 15.825 1.00 0.00 H new ATOM 0 HG1 THR B 49 -11.298 0.769 13.872 1.00 0.00 H new ATOM 0 HG21 THR B 49 -11.234 3.915 13.773 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.108 4.094 15.139 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.720 2.981 13.806 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.960 0.720 16.135 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.727 0.013 15.732 1.00 0.00 C ATOM 1624 C LYS B 50 -6.250 0.351 14.299 1.00 0.00 C ATOM 1625 O LYS B 50 -5.809 -0.506 13.530 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.865 -1.501 15.992 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.316 -1.897 17.410 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.494 -1.250 18.536 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.835 -1.892 19.885 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.458 -1.028 21.020 1.00 0.00 N ATOM 0 H LYS B 50 -7.852 1.210 17.023 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.922 0.385 16.365 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.578 -1.910 15.276 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -5.904 -1.975 15.791 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.363 -1.622 17.536 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.257 -2.981 17.509 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.430 -1.365 18.330 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.697 -0.180 18.574 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.904 -2.100 19.927 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.320 -2.849 19.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.449 -1.589 21.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.512 -0.630 20.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.148 -0.255 21.112 1.00 0.00 H new ATOM 1644 N THR B 51 -6.368 1.625 13.930 1.00 0.00 N ATOM 1645 CA THR B 51 -6.121 2.130 12.569 1.00 0.00 C ATOM 1646 C THR B 51 -5.119 3.285 12.599 1.00 0.00 C ATOM 1647 O THR B 51 -5.173 4.151 13.475 1.00 0.00 O ATOM 1648 CB THR B 51 -7.443 2.574 11.912 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.350 1.492 11.820 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.274 3.127 10.494 1.00 0.00 C ATOM 0 H THR B 51 -6.645 2.359 14.582 1.00 0.00 H new ATOM 0 HA THR B 51 -5.695 1.323 11.973 1.00 0.00 H new ATOM 0 HB THR B 51 -7.818 3.367 12.559 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.565 1.168 12.720 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.247 3.418 10.099 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.617 3.997 10.518 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.837 2.360 9.854 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.207 3.317 11.631 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.181 4.332 11.418 1.00 0.00 C ATOM 1660 C PHE B 52 -3.551 5.164 10.181 1.00 0.00 C ATOM 1661 O PHE B 52 -4.113 4.638 9.219 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.828 3.646 11.171 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.221 2.969 12.382 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.560 1.639 12.704 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.312 3.676 13.191 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.008 1.027 13.842 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.233 3.065 14.332 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.124 1.748 14.663 1.00 0.00 C ATOM 0 H PHE B 52 -4.163 2.582 10.925 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.113 4.975 12.296 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.953 2.903 10.383 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.124 4.390 10.799 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.245 1.090 12.075 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.034 4.688 12.935 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.262 0.006 14.085 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.927 3.609 14.955 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.282 1.287 15.551 1.00 0.00 H new ATOM 1678 N THR B 53 -3.238 6.455 10.187 1.00 0.00 N ATOM 1679 CA THR B 53 -3.487 7.361 9.051 1.00 0.00 C ATOM 1680 C THR B 53 -2.223 8.156 8.729 1.00 0.00 C ATOM 1681 O THR B 53 -1.652 8.797 9.618 1.00 0.00 O ATOM 1682 CB THR B 53 -4.652 8.325 9.351 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.817 7.617 9.717 1.00 0.00 O ATOM 1684 CG2 THR B 53 -5.023 9.203 8.154 1.00 0.00 C ATOM 0 H THR B 53 -2.799 6.915 10.985 1.00 0.00 H new ATOM 0 HA THR B 53 -3.762 6.754 8.189 1.00 0.00 H new ATOM 0 HB THR B 53 -4.297 8.954 10.167 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.540 8.251 9.904 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.849 9.860 8.427 1.00 0.00 H new ATOM 0 HG22 THR B 53 -4.162 9.804 7.863 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.323 8.571 7.318 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.779 8.123 7.470 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.522 8.749 7.006 1.00 0.00 C ATOM 1694 C VAL B 54 -0.824 9.747 5.889 1.00 0.00 C ATOM 1695 O VAL B 54 -1.533 9.414 4.936 1.00 0.00 O ATOM 1696 CB VAL B 54 0.502 7.700 6.527 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.858 8.345 6.205 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.747 6.643 7.607 1.00 0.00 C ATOM 0 H VAL B 54 -2.289 7.652 6.723 1.00 0.00 H new ATOM 0 HA VAL B 54 -0.076 9.272 7.852 1.00 0.00 H new ATOM 0 HB VAL B 54 0.081 7.245 5.631 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.556 7.577 5.871 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.730 9.087 5.417 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.252 8.829 7.099 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.473 5.915 7.245 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.133 7.124 8.506 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.190 6.137 7.840 1.00 0.00 H new ATOM 1708 N THR B 55 -0.334 10.978 6.034 1.00 0.00 N ATOM 1709 CA THR B 55 -0.685 12.107 5.153 1.00 0.00 C ATOM 1710 C THR B 55 0.540 12.935 4.715 1.00 0.00 C ATOM 1711 O THR B 55 1.355 13.328 5.557 1.00 0.00 O ATOM 1712 CB THR B 55 -1.768 12.987 5.812 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.920 12.225 6.107 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.237 14.149 4.936 1.00 0.00 C ATOM 0 H THR B 55 0.325 11.229 6.771 1.00 0.00 H new ATOM 0 HA THR B 55 -1.095 11.684 4.236 1.00 0.00 H new ATOM 0 HB THR B 55 -1.291 13.383 6.709 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.594 12.800 6.525 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.998 14.721 5.467 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.391 14.796 4.706 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.658 13.759 4.009 1.00 0.00 H new ATOM 1722 N GLU B 56 0.665 13.201 3.405 1.00 0.00 N ATOM 1723 CA GLU B 56 1.643 14.150 2.818 1.00 0.00 C ATOM 1724 C GLU B 56 1.399 15.590 3.285 1.00 0.00 C ATOM 1725 O GLU B 56 0.279 16.108 3.083 1.00 0.00 O ATOM 1726 CB GLU B 56 1.657 14.118 1.279 1.00 0.00 C ATOM 1727 CG GLU B 56 2.515 12.976 0.731 1.00 0.00 C ATOM 1728 CD GLU B 56 2.752 13.127 -0.767 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.404 14.115 -1.175 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.294 12.252 -1.534 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.345 16.197 3.831 1.00 0.00 O ATOM 0 H GLU B 56 0.077 12.754 2.701 1.00 0.00 H new ATOM 0 HA GLU B 56 2.616 13.815 3.178 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.637 14.012 0.910 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.036 15.068 0.901 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.472 12.956 1.252 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.024 12.023 0.929 1.00 0.00 H new