USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1087 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 131 ASN : amide:sc= 2.32 K(o=3.2,f=-4.3!) USER MOD Set 1.2: B 134 LYS NZ :NH3+ -172:sc= 0.921 (180deg=0) USER MOD Set 2.1: B 82 SER OG : rot 68:sc= 1.23 USER MOD Set 2.2: B 88 SER OG : rot 17:sc= 0.845 USER MOD Set 2.3: B 93 ASN : amide:sc= 0.851 K(o=3.1,f=2.4) USER MOD Set 2.4: B 97 GLN : amide:sc= 0.207 K(o=3.1,f=2.4) USER MOD Set 3.1: B 72 HIS : no HE2:sc= -0.509 K(o=-1.7,f=-9!) USER MOD Set 3.2: B 116 ASN : amide:sc= -1.2! K(o=-1.7!,f=-2.7) USER MOD Set 4.1: B 54 TYR OH : rot 30:sc= 0.692 USER MOD Set 4.2: B 61 GLN : amide:sc= -0.189 K(o=0.5,f=1.4) USER MOD Single : A 1 GLY N :NH3+ -165:sc= 0.41 (180deg=-0.224) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.158 (180deg=-0.677) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.13) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0468 USER MOD Single : A 30 SER OG : rot -92:sc= 1.17 USER MOD Single : A 31 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.13) USER MOD Single : A 32 GLN : amide:sc= -0.85 K(o=-0.85,f=-0.077) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 103:sc= 0.683 USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0585) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.19) USER MOD Single : B 47 THR OG1 : rot 105:sc= 1.28 USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.18) USER MOD Single : B 55 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.49) USER MOD Single : B 56 ASN : amide:sc= 1.11 K(o=1.1,f=-0.42) USER MOD Single : B 57 SER OG : rot -95:sc= 0.922 USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.16 K(o=1.2,f=-2.9) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.23) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot -82:sc= 1.25 USER MOD Single : B 83 THR OG1 : rot -36:sc= 0.179 USER MOD Single : B 85 ASN : amide:sc= -0.547 K(o=-0.55,f=-0.043) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 LYS NZ :NH3+ 172:sc=-0.00119 (180deg=-0.0756) USER MOD Single : B 92 MET CE :methyl 155:sc= -0.427 (180deg=-1.31) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.11) USER MOD Single : B 103 ASN : amide:sc= 1.1 K(o=1.1,f=-0.12) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.838 K(o=-0.84,f=-1.5!) USER MOD Single : B 107 THR OG1 : rot -30:sc= 1.06 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 115 TYR OH : rot -136:sc= 0.0455 USER MOD Single : B 123 CYS SG : rot -39:sc= 1.1 USER MOD Single : B 124 GLN : amide:sc= 1.47 K(o=1.5,f=-0.94) USER MOD Single : B 129 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.14) USER MOD Single : B 135 LYS NZ :NH3+ -173:sc= 0.303 (180deg=0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.332 2.604 -12.776 1.00 0.00 N ATOM 2 CA GLY A 1 2.341 1.929 -11.928 1.00 0.00 C ATOM 3 C GLY A 1 3.735 2.448 -12.202 1.00 0.00 C ATOM 4 O GLY A 1 3.889 3.451 -12.898 1.00 0.00 O ATOM 0 H1 GLY A 1 0.381 2.420 -12.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.511 3.628 -12.780 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.394 2.238 -13.748 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.095 2.082 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.310 0.855 -12.110 1.00 0.00 H new ATOM 10 N PRO A 2 4.773 1.793 -11.664 1.00 0.00 N ATOM 11 CA PRO A 2 6.165 2.196 -11.886 1.00 0.00 C ATOM 12 C PRO A 2 6.601 1.976 -13.333 1.00 0.00 C ATOM 13 O PRO A 2 6.151 1.034 -13.993 1.00 0.00 O ATOM 14 CB PRO A 2 6.970 1.289 -10.944 1.00 0.00 C ATOM 15 CG PRO A 2 5.969 0.680 -10.020 1.00 0.00 C ATOM 16 CD PRO A 2 4.682 0.616 -10.792 1.00 0.00 C ATOM 0 HA PRO A 2 6.312 3.259 -11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.506 0.521 -11.502 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.716 1.861 -10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.284 -0.314 -9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.854 1.281 -9.118 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.598 -0.307 -11.365 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.813 0.664 -10.136 1.00 0.00 H new ATOM 24 N HIS A 3 7.468 2.853 -13.821 1.00 0.00 N ATOM 25 CA HIS A 3 8.000 2.735 -15.174 1.00 0.00 C ATOM 26 C HIS A 3 9.161 1.756 -15.186 1.00 0.00 C ATOM 27 O HIS A 3 10.214 2.042 -14.613 1.00 0.00 O ATOM 28 CB HIS A 3 8.478 4.090 -15.701 1.00 0.00 C ATOM 29 CG HIS A 3 7.449 5.174 -15.633 1.00 0.00 C ATOM 30 ND1 HIS A 3 6.418 5.298 -16.538 1.00 0.00 N ATOM 31 CD2 HIS A 3 7.300 6.193 -14.758 1.00 0.00 C ATOM 32 CE1 HIS A 3 5.682 6.347 -16.222 1.00 0.00 C ATOM 33 NE2 HIS A 3 6.197 6.904 -15.148 1.00 0.00 N ATOM 0 H HIS A 3 7.819 3.656 -13.299 1.00 0.00 H new ATOM 0 HA HIS A 3 7.200 2.374 -15.820 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.354 4.400 -15.131 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.797 3.972 -16.737 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.933 6.407 -13.909 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.807 6.689 -16.754 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.833 7.734 -14.680 1.00 0.00 H new ATOM 42 N MET A 4 8.956 0.610 -15.839 1.00 0.00 N ATOM 43 CA MET A 4 9.947 -0.464 -15.893 1.00 0.00 C ATOM 44 C MET A 4 10.080 -1.153 -14.536 1.00 0.00 C ATOM 45 O MET A 4 9.659 -0.619 -13.507 1.00 0.00 O ATOM 46 CB MET A 4 11.302 0.079 -16.347 1.00 0.00 C ATOM 47 CG MET A 4 11.341 0.496 -17.809 1.00 0.00 C ATOM 48 SD MET A 4 12.926 1.216 -18.283 1.00 0.00 S ATOM 49 CE MET A 4 14.034 -0.148 -17.930 1.00 0.00 C ATOM 0 H MET A 4 8.096 0.401 -16.346 1.00 0.00 H new ATOM 0 HA MET A 4 9.605 -1.202 -16.619 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.565 0.937 -15.728 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.063 -0.682 -16.176 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.138 -0.372 -18.436 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.547 1.218 -17.998 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.991 0.023 -18.424 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.189 -0.222 -16.854 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.597 -1.076 -18.298 1.00 0.00 H new ATOM 59 N PHE A 5 10.657 -2.349 -14.540 1.00 0.00 N ATOM 60 CA PHE A 5 10.831 -3.108 -13.309 1.00 0.00 C ATOM 61 C PHE A 5 11.898 -2.471 -12.436 1.00 0.00 C ATOM 62 O PHE A 5 12.947 -2.048 -12.925 1.00 0.00 O ATOM 63 CB PHE A 5 11.200 -4.563 -13.603 1.00 0.00 C ATOM 64 CG PHE A 5 10.097 -5.350 -14.255 1.00 0.00 C ATOM 65 CD1 PHE A 5 9.951 -5.361 -15.631 1.00 0.00 C ATOM 66 CD2 PHE A 5 9.208 -6.083 -13.485 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.938 -6.086 -16.229 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.195 -6.810 -14.077 1.00 0.00 C ATOM 69 CZ PHE A 5 8.060 -6.811 -15.451 1.00 0.00 C ATOM 0 H PHE A 5 11.010 -2.812 -15.378 1.00 0.00 H new ATOM 0 HA PHE A 5 9.880 -3.096 -12.776 1.00 0.00 H new ATOM 0 HB2 PHE A 5 12.078 -4.582 -14.249 1.00 0.00 H new ATOM 0 HB3 PHE A 5 11.480 -5.052 -12.670 1.00 0.00 H new ATOM 0 HD1 PHE A 5 10.637 -4.796 -16.245 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.309 -6.085 -12.410 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.834 -6.085 -17.304 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.509 -7.377 -13.466 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.268 -7.379 -15.916 1.00 0.00 H new ATOM 79 N ALA A 6 11.620 -2.419 -11.144 1.00 0.00 N ATOM 80 CA ALA A 6 12.483 -1.763 -10.177 1.00 0.00 C ATOM 81 C ALA A 6 11.969 -2.052 -8.776 1.00 0.00 C ATOM 82 O ALA A 6 10.971 -2.752 -8.609 1.00 0.00 O ATOM 83 CB ALA A 6 12.525 -0.264 -10.431 1.00 0.00 C ATOM 0 H ALA A 6 10.783 -2.834 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 6 13.498 -2.149 -10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.176 0.211 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.909 -0.075 -11.433 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.520 0.148 -10.345 1.00 0.00 H new ATOM 89 N ASN A 7 12.630 -1.497 -7.774 1.00 0.00 N ATOM 90 CA ASN A 7 12.318 -1.824 -6.391 1.00 0.00 C ATOM 91 C ASN A 7 11.458 -0.755 -5.738 1.00 0.00 C ATOM 92 O ASN A 7 11.290 -0.748 -4.520 1.00 0.00 O ATOM 93 CB ASN A 7 13.605 -2.037 -5.592 1.00 0.00 C ATOM 94 CG ASN A 7 14.330 -3.303 -6.003 1.00 0.00 C ATOM 95 OD1 ASN A 7 14.160 -4.360 -5.393 1.00 0.00 O ATOM 96 ND2 ASN A 7 15.117 -3.217 -7.064 1.00 0.00 N ATOM 0 H ASN A 7 13.384 -0.820 -7.891 1.00 0.00 H new ATOM 0 HA ASN A 7 11.743 -2.750 -6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 7 14.264 -1.181 -5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.367 -2.085 -4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.608 -4.044 -7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 7 15.232 -2.324 -7.542 1.00 0.00 H new ATOM 103 N GLU A 8 10.910 0.143 -6.553 1.00 0.00 N ATOM 104 CA GLU A 8 9.972 1.154 -6.065 1.00 0.00 C ATOM 105 C GLU A 8 8.828 0.470 -5.345 1.00 0.00 C ATOM 106 O GLU A 8 8.521 0.781 -4.202 1.00 0.00 O ATOM 107 CB GLU A 8 9.381 1.977 -7.213 1.00 0.00 C ATOM 108 CG GLU A 8 10.161 1.886 -8.506 1.00 0.00 C ATOM 109 CD GLU A 8 11.490 2.611 -8.447 1.00 0.00 C ATOM 110 OE1 GLU A 8 12.449 2.061 -7.875 1.00 0.00 O ATOM 111 OE2 GLU A 8 11.582 3.734 -8.982 1.00 0.00 O1- ATOM 0 H GLU A 8 11.098 0.192 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 8 10.521 1.818 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.359 1.645 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.328 3.022 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.336 0.837 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.562 2.302 -9.316 1.00 0.00 H new ATOM 118 N ASN A 9 8.220 -0.486 -6.036 1.00 0.00 N ATOM 119 CA ASN A 9 7.103 -1.249 -5.497 1.00 0.00 C ATOM 120 C ASN A 9 7.497 -1.955 -4.209 1.00 0.00 C ATOM 121 O ASN A 9 6.700 -2.040 -3.286 1.00 0.00 O ATOM 122 CB ASN A 9 6.597 -2.259 -6.526 1.00 0.00 C ATOM 123 CG ASN A 9 7.728 -2.969 -7.237 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.230 -3.986 -6.772 1.00 0.00 O ATOM 125 ND2 ASN A 9 8.133 -2.427 -8.373 1.00 0.00 N ATOM 0 H ASN A 9 8.487 -0.753 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 9 6.297 -0.552 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.964 -2.995 -6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.974 -1.746 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.893 -2.856 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.685 -1.579 -8.722 1.00 0.00 H new ATOM 132 N SER A 10 8.733 -2.432 -4.142 1.00 0.00 N ATOM 133 CA SER A 10 9.241 -3.072 -2.933 1.00 0.00 C ATOM 134 C SER A 10 9.167 -2.099 -1.755 1.00 0.00 C ATOM 135 O SER A 10 8.660 -2.439 -0.683 1.00 0.00 O ATOM 136 CB SER A 10 10.683 -3.551 -3.141 1.00 0.00 C ATOM 137 OG SER A 10 11.211 -4.133 -1.959 1.00 0.00 O ATOM 0 H SER A 10 9.403 -2.388 -4.910 1.00 0.00 H new ATOM 0 HA SER A 10 8.621 -3.941 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.713 -4.279 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.307 -2.710 -3.445 1.00 0.00 H new ATOM 0 HG SER A 10 12.130 -4.430 -2.123 1.00 0.00 H new ATOM 143 N GLN A 11 9.662 -0.886 -1.972 1.00 0.00 N ATOM 144 CA GLN A 11 9.603 0.163 -0.968 1.00 0.00 C ATOM 145 C GLN A 11 8.152 0.513 -0.653 1.00 0.00 C ATOM 146 O GLN A 11 7.777 0.685 0.505 1.00 0.00 O ATOM 147 CB GLN A 11 10.336 1.399 -1.471 1.00 0.00 C ATOM 148 CG GLN A 11 11.705 1.093 -2.040 1.00 0.00 C ATOM 149 CD GLN A 11 12.570 2.323 -2.130 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.587 3.023 -3.142 1.00 0.00 O ATOM 151 NE2 GLN A 11 13.289 2.591 -1.058 1.00 0.00 N ATOM 0 H GLN A 11 10.112 -0.606 -2.843 1.00 0.00 H new ATOM 0 HA GLN A 11 10.083 -0.194 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.732 1.884 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.441 2.109 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.198 0.348 -1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.595 0.655 -3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.239 1.978 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.895 3.411 -1.042 1.00 0.00 H new ATOM 160 N LEU A 12 7.347 0.606 -1.709 1.00 0.00 N ATOM 161 CA LEU A 12 5.914 0.873 -1.593 1.00 0.00 C ATOM 162 C LEU A 12 5.245 -0.144 -0.674 1.00 0.00 C ATOM 163 O LEU A 12 4.398 0.208 0.146 1.00 0.00 O ATOM 164 CB LEU A 12 5.261 0.827 -2.981 1.00 0.00 C ATOM 165 CG LEU A 12 5.245 2.144 -3.776 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.538 2.923 -3.607 1.00 0.00 C ATOM 167 CD2 LEU A 12 5.015 1.853 -5.248 1.00 0.00 C ATOM 0 H LEU A 12 7.670 0.498 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 12 5.783 1.866 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.779 0.075 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.232 0.487 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 12 4.432 2.756 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.485 3.846 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.684 3.162 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.375 2.321 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.005 2.789 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.816 1.216 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.059 1.345 -5.373 1.00 0.00 H new ATOM 179 N LEU A 13 5.646 -1.400 -0.812 1.00 0.00 N ATOM 180 CA LEU A 13 5.083 -2.486 -0.022 1.00 0.00 C ATOM 181 C LEU A 13 5.404 -2.317 1.454 1.00 0.00 C ATOM 182 O LEU A 13 4.518 -2.414 2.300 1.00 0.00 O ATOM 183 CB LEU A 13 5.613 -3.828 -0.518 1.00 0.00 C ATOM 184 CG LEU A 13 5.313 -4.135 -1.983 1.00 0.00 C ATOM 185 CD1 LEU A 13 5.938 -5.452 -2.393 1.00 0.00 C ATOM 186 CD2 LEU A 13 3.816 -4.147 -2.235 1.00 0.00 C ATOM 0 H LEU A 13 6.367 -1.694 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 13 4.000 -2.460 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.693 -3.853 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.189 -4.620 0.099 1.00 0.00 H new ATOM 0 HG LEU A 13 5.753 -3.346 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.712 -5.652 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.018 -5.400 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.534 -6.254 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.626 -4.368 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.348 -4.910 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.398 -3.171 -1.988 1.00 0.00 H new ATOM 198 N ASP A 14 6.673 -2.062 1.761 1.00 0.00 N ATOM 199 CA ASP A 14 7.087 -1.871 3.148 1.00 0.00 C ATOM 200 C ASP A 14 6.501 -0.582 3.707 1.00 0.00 C ATOM 201 O ASP A 14 6.272 -0.465 4.907 1.00 0.00 O ATOM 202 CB ASP A 14 8.612 -1.866 3.289 1.00 0.00 C ATOM 203 CG ASP A 14 9.220 -3.248 3.130 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.704 -4.211 3.746 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.226 -3.379 2.398 1.00 0.00 O1- ATOM 0 H ASP A 14 7.425 -1.983 1.077 1.00 0.00 H new ATOM 0 HA ASP A 14 6.704 -2.714 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.040 -1.197 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.881 -1.466 4.266 1.00 0.00 H new ATOM 210 N PHE A 15 6.254 0.378 2.825 1.00 0.00 N ATOM 211 CA PHE A 15 5.581 1.616 3.194 1.00 0.00 C ATOM 212 C PHE A 15 4.177 1.304 3.707 1.00 0.00 C ATOM 213 O PHE A 15 3.850 1.596 4.856 1.00 0.00 O ATOM 214 CB PHE A 15 5.522 2.539 1.973 1.00 0.00 C ATOM 215 CG PHE A 15 5.012 3.929 2.237 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.882 4.940 2.617 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.672 4.236 2.060 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.425 6.228 2.814 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.209 5.521 2.261 1.00 0.00 C ATOM 220 CZ PHE A 15 4.087 6.519 2.635 1.00 0.00 C ATOM 0 H PHE A 15 6.513 0.321 1.840 1.00 0.00 H new ATOM 0 HA PHE A 15 6.133 2.118 3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.522 2.613 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.887 2.075 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.929 4.717 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.982 3.461 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.113 7.007 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.161 5.745 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.728 7.526 2.787 1.00 0.00 H new ATOM 230 N ILE A 16 3.370 0.676 2.854 1.00 0.00 N ATOM 231 CA ILE A 16 2.019 0.242 3.219 1.00 0.00 C ATOM 232 C ILE A 16 2.062 -0.614 4.484 1.00 0.00 C ATOM 233 O ILE A 16 1.226 -0.490 5.383 1.00 0.00 O ATOM 234 CB ILE A 16 1.389 -0.588 2.076 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.357 0.226 0.780 1.00 0.00 C ATOM 236 CG2 ILE A 16 -0.012 -1.047 2.451 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.039 -0.605 -0.446 1.00 0.00 C ATOM 0 H ILE A 16 3.631 0.453 1.893 1.00 0.00 H new ATOM 0 HA ILE A 16 1.415 1.132 3.397 1.00 0.00 H new ATOM 0 HB ILE A 16 2.006 -1.472 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.614 1.018 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.323 0.711 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.436 -1.629 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.035 -1.664 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.641 -0.177 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.033 0.035 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.795 -1.381 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.060 -1.069 -0.327 1.00 0.00 H new ATOM 249 N ARG A 17 3.070 -1.468 4.526 1.00 0.00 N ATOM 250 CA ARG A 17 3.316 -2.365 5.642 1.00 0.00 C ATOM 251 C ARG A 17 3.498 -1.587 6.947 1.00 0.00 C ATOM 252 O ARG A 17 2.938 -1.951 7.984 1.00 0.00 O ATOM 253 CB ARG A 17 4.562 -3.183 5.308 1.00 0.00 C ATOM 254 CG ARG A 17 4.930 -4.267 6.297 1.00 0.00 C ATOM 255 CD ARG A 17 6.076 -5.093 5.738 1.00 0.00 C ATOM 256 NE ARG A 17 6.608 -6.052 6.701 1.00 0.00 N ATOM 257 CZ ARG A 17 7.899 -6.363 6.802 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.799 -5.774 6.017 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.289 -7.259 7.697 1.00 0.00 N ATOM 0 H ARG A 17 3.752 -1.559 3.773 1.00 0.00 H new ATOM 0 HA ARG A 17 2.461 -3.024 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.418 -3.644 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.407 -2.500 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.218 -3.823 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.068 -4.905 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.733 -5.628 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.876 -4.425 5.418 1.00 0.00 H new ATOM 0 HE ARG A 17 5.953 -6.511 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.501 -5.079 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.786 -6.018 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.602 -7.706 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.276 -7.501 7.779 1.00 0.00 H new ATOM 273 N GLU A 18 4.263 -0.504 6.886 1.00 0.00 N ATOM 274 CA GLU A 18 4.518 0.318 8.059 1.00 0.00 C ATOM 275 C GLU A 18 3.289 1.126 8.463 1.00 0.00 C ATOM 276 O GLU A 18 3.085 1.390 9.649 1.00 0.00 O ATOM 277 CB GLU A 18 5.713 1.243 7.827 1.00 0.00 C ATOM 278 CG GLU A 18 7.040 0.506 7.842 1.00 0.00 C ATOM 279 CD GLU A 18 8.235 1.435 7.799 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.109 2.601 8.226 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.318 0.995 7.355 1.00 0.00 O ATOM 0 H GLU A 18 4.718 -0.175 6.034 1.00 0.00 H new ATOM 0 HA GLU A 18 4.754 -0.358 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.594 1.749 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.723 2.016 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.097 -0.109 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.083 -0.171 6.989 1.00 0.00 H new ATOM 288 N LEU A 19 2.468 1.517 7.490 1.00 0.00 N ATOM 289 CA LEU A 19 1.228 2.227 7.786 1.00 0.00 C ATOM 290 C LEU A 19 0.342 1.398 8.709 1.00 0.00 C ATOM 291 O LEU A 19 -0.150 1.889 9.725 1.00 0.00 O ATOM 292 CB LEU A 19 0.450 2.546 6.504 1.00 0.00 C ATOM 293 CG LEU A 19 0.757 3.886 5.832 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.210 3.976 5.408 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.145 4.074 4.628 1.00 0.00 C ATOM 0 H LEU A 19 2.638 1.355 6.497 1.00 0.00 H new ATOM 0 HA LEU A 19 1.499 3.161 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.641 1.751 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.615 2.517 6.735 1.00 0.00 H new ATOM 0 HG LEU A 19 0.571 4.678 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.392 4.941 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.851 3.875 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.433 3.177 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.077 5.029 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.025 3.266 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.187 4.062 4.948 1.00 0.00 H new ATOM 307 N GLY A 20 0.147 0.134 8.353 1.00 0.00 N ATOM 308 CA GLY A 20 -0.713 -0.734 9.136 1.00 0.00 C ATOM 309 C GLY A 20 -0.152 -1.042 10.513 1.00 0.00 C ATOM 310 O GLY A 20 -0.892 -1.437 11.412 1.00 0.00 O ATOM 0 H GLY A 20 0.569 -0.306 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.691 -0.265 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.866 -1.668 8.595 1.00 0.00 H new ATOM 314 N ASP A 21 1.150 -0.844 10.686 1.00 0.00 N ATOM 315 CA ASP A 21 1.798 -1.103 11.968 1.00 0.00 C ATOM 316 C ASP A 21 1.415 -0.038 12.991 1.00 0.00 C ATOM 317 O ASP A 21 1.321 -0.313 14.188 1.00 0.00 O ATOM 318 CB ASP A 21 3.319 -1.133 11.800 1.00 0.00 C ATOM 319 CG ASP A 21 4.042 -1.528 13.073 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.330 -0.643 13.906 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.341 -2.728 13.243 1.00 0.00 O1- ATOM 0 H ASP A 21 1.777 -0.506 9.956 1.00 0.00 H new ATOM 0 HA ASP A 21 1.459 -2.074 12.328 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.579 -1.834 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.664 -0.150 11.481 1.00 0.00 H new ATOM 326 N VAL A 22 1.173 1.174 12.512 1.00 0.00 N ATOM 327 CA VAL A 22 0.878 2.300 13.392 1.00 0.00 C ATOM 328 C VAL A 22 -0.572 2.749 13.252 1.00 0.00 C ATOM 329 O VAL A 22 -0.976 3.767 13.814 1.00 0.00 O ATOM 330 CB VAL A 22 1.817 3.492 13.117 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.210 3.206 13.650 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.877 3.793 11.631 1.00 0.00 C ATOM 0 H VAL A 22 1.175 1.405 11.518 1.00 0.00 H new ATOM 0 HA VAL A 22 1.042 1.954 14.413 1.00 0.00 H new ATOM 0 HB VAL A 22 1.419 4.366 13.632 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.859 4.058 13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.160 3.036 14.725 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.612 2.319 13.160 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.545 4.637 11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.251 2.919 11.098 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.879 4.039 11.269 1.00 0.00 H new ATOM 342 N GLY A 23 -1.350 1.984 12.497 1.00 0.00 N ATOM 343 CA GLY A 23 -2.765 2.270 12.360 1.00 0.00 C ATOM 344 C GLY A 23 -3.056 3.392 11.384 1.00 0.00 C ATOM 345 O GLY A 23 -4.018 4.138 11.557 1.00 0.00 O ATOM 0 H GLY A 23 -1.026 1.169 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.281 1.368 12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.172 2.532 13.337 1.00 0.00 H new ATOM 349 N LEU A 24 -2.231 3.513 10.359 1.00 0.00 N ATOM 350 CA LEU A 24 -2.435 4.523 9.329 1.00 0.00 C ATOM 351 C LEU A 24 -3.035 3.898 8.077 1.00 0.00 C ATOM 352 O LEU A 24 -3.247 4.570 7.070 1.00 0.00 O ATOM 353 CB LEU A 24 -1.111 5.203 8.988 1.00 0.00 C ATOM 354 CG LEU A 24 -0.498 6.027 10.117 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.897 6.489 9.736 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.384 7.216 10.443 1.00 0.00 C ATOM 0 H LEU A 24 -1.411 2.924 10.215 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.130 5.270 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.395 4.439 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.265 5.853 8.127 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.422 5.400 11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.321 7.075 10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.529 5.621 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.844 7.103 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.934 7.794 11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.488 7.846 9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.367 6.863 10.754 1.00 0.00 H new ATOM 368 N LEU A 25 -3.295 2.601 8.149 1.00 0.00 N ATOM 369 CA LEU A 25 -3.845 1.871 7.020 1.00 0.00 C ATOM 370 C LEU A 25 -5.216 1.296 7.361 1.00 0.00 C ATOM 371 O LEU A 25 -5.895 0.716 6.511 1.00 0.00 O ATOM 372 CB LEU A 25 -2.891 0.745 6.632 1.00 0.00 C ATOM 373 CG LEU A 25 -3.315 -0.086 5.432 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.323 0.759 4.171 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.401 -1.284 5.285 1.00 0.00 C ATOM 0 H LEU A 25 -3.133 2.033 8.980 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.963 2.558 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.912 1.177 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.773 0.081 7.488 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.331 -0.447 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.629 0.145 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.023 1.586 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.323 1.153 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.711 -1.875 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.375 -0.944 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.458 -1.897 6.184 1.00 0.00 H new ATOM 387 N GLU A 26 -5.618 1.459 8.607 1.00 0.00 N ATOM 388 CA GLU A 26 -6.864 0.883 9.084 1.00 0.00 C ATOM 389 C GLU A 26 -8.070 1.560 8.447 1.00 0.00 C ATOM 390 O GLU A 26 -8.061 2.760 8.166 1.00 0.00 O ATOM 391 CB GLU A 26 -6.960 0.967 10.604 1.00 0.00 C ATOM 392 CG GLU A 26 -6.854 2.377 11.149 1.00 0.00 C ATOM 393 CD GLU A 26 -7.095 2.432 12.641 1.00 0.00 C ATOM 394 OE1 GLU A 26 -6.249 1.921 13.403 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -8.144 2.968 13.057 1.00 0.00 O ATOM 0 H GLU A 26 -5.100 1.986 9.310 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.867 -0.167 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.909 0.535 10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.169 0.358 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.865 2.777 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.577 3.016 10.642 1.00 0.00 H new ATOM 402 N TYR A 27 -9.097 0.771 8.218 1.00 0.00 N ATOM 403 CA TYR A 27 -10.323 1.251 7.608 1.00 0.00 C ATOM 404 C TYR A 27 -11.502 0.453 8.143 1.00 0.00 C ATOM 405 O TYR A 27 -11.318 -0.471 8.936 1.00 0.00 O ATOM 406 CB TYR A 27 -10.239 1.115 6.083 1.00 0.00 C ATOM 407 CG TYR A 27 -10.103 -0.316 5.609 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.854 -0.911 5.500 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.222 -1.074 5.286 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.725 -2.220 5.081 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.099 -2.385 4.870 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.849 -2.952 4.768 1.00 0.00 C ATOM 413 OH TYR A 27 -9.720 -4.259 4.360 1.00 0.00 O ATOM 0 H TYR A 27 -9.108 -0.222 8.449 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.462 2.303 7.856 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.132 1.553 5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.387 1.691 5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.970 -0.342 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.204 -0.631 5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.746 -2.669 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.979 -2.962 4.626 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.607 -4.634 4.179 1.00 0.00 H new ATOM 423 N GLU A 28 -12.702 0.809 7.718 1.00 0.00 N ATOM 424 CA GLU A 28 -13.894 0.068 8.083 1.00 0.00 C ATOM 425 C GLU A 28 -14.991 0.352 7.072 1.00 0.00 C ATOM 426 O GLU A 28 -15.602 1.422 7.082 1.00 0.00 O ATOM 427 CB GLU A 28 -14.356 0.434 9.494 1.00 0.00 C ATOM 428 CG GLU A 28 -15.413 -0.506 10.038 1.00 0.00 C ATOM 429 CD GLU A 28 -14.923 -1.937 10.122 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.355 -2.318 11.167 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.102 -2.692 9.143 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.876 1.613 7.115 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.664 -0.997 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.496 0.430 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.751 1.450 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.719 -0.170 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.296 -0.464 9.401 1.00 0.00 H new ATOM 438 N LEU A 29 -15.226 -0.608 6.198 1.00 0.00 N ATOM 439 CA LEU A 29 -16.147 -0.437 5.089 1.00 0.00 C ATOM 440 C LEU A 29 -17.588 -0.637 5.528 1.00 0.00 C ATOM 441 O LEU A 29 -17.899 -1.555 6.287 1.00 0.00 O ATOM 442 CB LEU A 29 -15.817 -1.440 3.990 1.00 0.00 C ATOM 443 CG LEU A 29 -14.383 -1.391 3.473 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.118 -2.576 2.570 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.123 -0.092 2.730 1.00 0.00 C ATOM 0 H LEU A 29 -14.785 -1.527 6.236 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.038 0.582 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.017 -2.444 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.494 -1.272 3.152 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.705 -1.437 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.092 -2.533 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.266 -3.500 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.805 -2.550 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.094 -0.078 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.805 -0.014 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.283 0.750 3.403 1.00 0.00 H new ATOM 457 N SER A 30 -18.457 0.232 5.047 1.00 0.00 N ATOM 458 CA SER A 30 -19.887 0.079 5.252 1.00 0.00 C ATOM 459 C SER A 30 -20.454 -0.886 4.219 1.00 0.00 C ATOM 460 O SER A 30 -19.729 -1.321 3.325 1.00 0.00 O ATOM 461 CB SER A 30 -20.586 1.438 5.160 1.00 0.00 C ATOM 462 OG SER A 30 -20.206 2.126 3.981 1.00 0.00 O ATOM 0 H SER A 30 -18.196 1.057 4.508 1.00 0.00 H new ATOM 0 HA SER A 30 -20.063 -0.328 6.248 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.667 1.296 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.335 2.040 6.033 1.00 0.00 H new ATOM 0 HG SER A 30 -19.434 2.699 4.171 1.00 0.00 H new ATOM 468 N GLN A 31 -21.732 -1.217 4.328 1.00 0.00 N ATOM 469 CA GLN A 31 -22.349 -2.175 3.419 1.00 0.00 C ATOM 470 C GLN A 31 -22.184 -1.741 1.963 1.00 0.00 C ATOM 471 O GLN A 31 -21.918 -2.565 1.087 1.00 0.00 O ATOM 472 CB GLN A 31 -23.827 -2.355 3.762 1.00 0.00 C ATOM 473 CG GLN A 31 -24.059 -3.027 5.104 1.00 0.00 C ATOM 474 CD GLN A 31 -23.528 -4.448 5.141 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.234 -5.393 4.799 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.284 -4.610 5.559 1.00 0.00 N ATOM 0 H GLN A 31 -22.362 -0.838 5.035 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.842 -3.132 3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.313 -1.379 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.304 -2.947 2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.578 -2.442 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.127 -3.036 5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.729 -3.800 5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.879 -5.545 5.606 1.00 0.00 H new ATOM 485 N GLN A 32 -22.296 -0.442 1.719 1.00 0.00 N ATOM 486 CA GLN A 32 -22.153 0.097 0.372 1.00 0.00 C ATOM 487 C GLN A 32 -20.695 0.058 -0.075 1.00 0.00 C ATOM 488 O GLN A 32 -20.395 -0.316 -1.209 1.00 0.00 O ATOM 489 CB GLN A 32 -22.692 1.528 0.307 1.00 0.00 C ATOM 490 CG GLN A 32 -22.552 2.176 -1.065 1.00 0.00 C ATOM 491 CD GLN A 32 -23.228 1.387 -2.176 1.00 0.00 C ATOM 492 OE1 GLN A 32 -22.773 1.397 -3.319 1.00 0.00 O ATOM 493 NE2 GLN A 32 -24.325 0.718 -1.860 1.00 0.00 N ATOM 0 H GLN A 32 -22.485 0.258 2.436 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.736 -0.525 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.744 1.523 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.167 2.138 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.978 3.179 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.493 2.287 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -24.673 0.733 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.823 0.188 -2.575 1.00 0.00 H new ATOM 502 N GLU A 33 -19.788 0.426 0.826 1.00 0.00 N ATOM 503 CA GLU A 33 -18.359 0.399 0.524 1.00 0.00 C ATOM 504 C GLU A 33 -17.897 -1.028 0.255 1.00 0.00 C ATOM 505 O GLU A 33 -16.957 -1.258 -0.500 1.00 0.00 O ATOM 506 CB GLU A 33 -17.554 0.997 1.678 1.00 0.00 C ATOM 507 CG GLU A 33 -17.802 2.479 1.902 1.00 0.00 C ATOM 508 CD GLU A 33 -17.143 2.989 3.166 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.693 2.745 4.259 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -16.079 3.635 3.079 1.00 0.00 O ATOM 0 H GLU A 33 -20.015 0.745 1.768 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.190 0.999 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.794 0.456 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.492 0.842 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.426 3.041 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.875 2.661 1.956 1.00 0.00 H new ATOM 517 N LYS A 34 -18.580 -1.987 0.862 1.00 0.00 N ATOM 518 CA LYS A 34 -18.248 -3.390 0.677 1.00 0.00 C ATOM 519 C LYS A 34 -18.830 -3.903 -0.631 1.00 0.00 C ATOM 520 O LYS A 34 -18.245 -4.757 -1.294 1.00 0.00 O ATOM 521 CB LYS A 34 -18.770 -4.223 1.851 1.00 0.00 C ATOM 522 CG LYS A 34 -17.987 -4.022 3.138 1.00 0.00 C ATOM 523 CD LYS A 34 -18.521 -4.892 4.261 1.00 0.00 C ATOM 524 CE LYS A 34 -17.686 -4.748 5.522 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.246 -5.536 6.651 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.368 -1.818 1.487 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.163 -3.486 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.815 -3.970 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.740 -5.278 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.936 -4.255 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.036 -2.974 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.554 -4.619 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.526 -5.935 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.666 -5.076 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.633 -3.697 5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.647 -5.411 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.210 -5.206 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.273 -6.543 6.392 1.00 0.00 H new ATOM 539 N ASP A 35 -19.967 -3.342 -1.012 1.00 0.00 N ATOM 540 CA ASP A 35 -20.696 -3.790 -2.191 1.00 0.00 C ATOM 541 C ASP A 35 -19.936 -3.462 -3.471 1.00 0.00 C ATOM 542 O ASP A 35 -19.992 -4.209 -4.446 1.00 0.00 O ATOM 543 CB ASP A 35 -22.076 -3.138 -2.220 1.00 0.00 C ATOM 544 CG ASP A 35 -22.925 -3.612 -3.383 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.376 -4.775 -3.365 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.155 -2.818 -4.318 1.00 0.00 O ATOM 0 H ASP A 35 -20.409 -2.568 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.804 -4.873 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.595 -3.354 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.960 -2.056 -2.278 1.00 0.00 H new ATOM 551 N VAL A 36 -19.211 -2.356 -3.459 1.00 0.00 N ATOM 552 CA VAL A 36 -18.485 -1.916 -4.642 1.00 0.00 C ATOM 553 C VAL A 36 -17.135 -2.621 -4.759 1.00 0.00 C ATOM 554 O VAL A 36 -16.584 -2.757 -5.849 1.00 0.00 O ATOM 555 CB VAL A 36 -18.274 -0.386 -4.637 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.613 0.332 -4.600 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.409 0.047 -3.464 1.00 0.00 C ATOM 0 H VAL A 36 -19.109 -1.747 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.095 -2.181 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.754 -0.115 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.448 1.409 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.198 0.057 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.155 0.045 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.279 1.129 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.892 -0.240 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.435 -0.437 -3.532 1.00 0.00 H new ATOM 567 N LEU A 37 -16.608 -3.075 -3.631 1.00 0.00 N ATOM 568 CA LEU A 37 -15.298 -3.709 -3.611 1.00 0.00 C ATOM 569 C LEU A 37 -15.417 -5.225 -3.710 1.00 0.00 C ATOM 570 O LEU A 37 -14.825 -5.849 -4.591 1.00 0.00 O ATOM 571 CB LEU A 37 -14.543 -3.307 -2.343 1.00 0.00 C ATOM 572 CG LEU A 37 -14.433 -1.796 -2.132 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.653 -1.480 -0.870 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.791 -1.130 -3.338 1.00 0.00 C ATOM 0 H LEU A 37 -17.065 -3.017 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.737 -3.366 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.043 -3.748 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.540 -3.731 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.441 -1.398 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.589 -0.399 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.160 -1.917 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.649 -1.896 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.722 -0.056 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.792 -1.538 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.398 -1.318 -4.224 1.00 0.00 H new ATOM 586 N PHE A 38 -16.201 -5.810 -2.816 1.00 0.00 N ATOM 587 CA PHE A 38 -16.382 -7.255 -2.783 1.00 0.00 C ATOM 588 C PHE A 38 -17.363 -7.703 -3.856 1.00 0.00 C ATOM 589 O PHE A 38 -17.423 -8.880 -4.215 1.00 0.00 O ATOM 590 CB PHE A 38 -16.883 -7.695 -1.413 1.00 0.00 C ATOM 591 CG PHE A 38 -15.915 -7.413 -0.304 1.00 0.00 C ATOM 592 CD1 PHE A 38 -14.819 -8.229 -0.102 1.00 0.00 C ATOM 593 CD2 PHE A 38 -16.101 -6.328 0.533 1.00 0.00 C ATOM 594 CE1 PHE A 38 -13.924 -7.970 0.919 1.00 0.00 C ATOM 595 CE2 PHE A 38 -15.211 -6.062 1.553 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.121 -6.885 1.747 1.00 0.00 C ATOM 0 H PHE A 38 -16.724 -5.304 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.416 -7.720 -2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -17.825 -7.190 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -17.093 -8.764 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.660 -9.079 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.953 -5.681 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -13.072 -8.616 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.367 -5.211 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.423 -6.680 2.546 1.00 0.00 H new ATOM 606 N GLY A 39 -18.136 -6.757 -4.354 1.00 0.00 N ATOM 607 CA GLY A 39 -19.083 -7.048 -5.413 1.00 0.00 C ATOM 608 C GLY A 39 -18.430 -7.068 -6.781 1.00 0.00 C ATOM 609 O GLY A 39 -19.102 -7.253 -7.795 1.00 0.00 O ATOM 0 H GLY A 39 -18.127 -5.785 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.552 -8.014 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.877 -6.301 -5.403 1.00 0.00 H new ATOM 613 N SER A 40 -17.119 -6.869 -6.813 1.00 0.00 N ATOM 614 CA SER A 40 -16.379 -6.871 -8.061 1.00 0.00 C ATOM 615 C SER A 40 -15.531 -8.136 -8.179 1.00 0.00 C ATOM 616 O SER A 40 -14.412 -8.163 -7.627 1.00 0.00 O ATOM 617 CB SER A 40 -15.500 -5.623 -8.160 1.00 0.00 C ATOM 618 OG SER A 40 -16.290 -4.442 -8.167 1.00 0.00 O ATOM 619 OXT SER A 40 -15.990 -9.104 -8.823 1.00 0.00 O ATOM 0 H SER A 40 -16.548 -6.704 -5.984 1.00 0.00 H new ATOM 0 HA SER A 40 -17.091 -6.858 -8.886 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.806 -5.595 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.899 -5.668 -9.068 1.00 0.00 H new ATOM 0 HG SER A 40 -16.257 -4.021 -7.283 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -2.850 15.281 10.620 1.00 0.00 N ATOM 627 CA MET B 41 -2.082 15.059 11.867 1.00 0.00 C ATOM 628 C MET B 41 -2.411 13.697 12.462 1.00 0.00 C ATOM 629 O MET B 41 -3.245 13.581 13.358 1.00 0.00 O ATOM 630 CB MET B 41 -2.381 16.160 12.892 1.00 0.00 C ATOM 631 CG MET B 41 -1.881 17.534 12.479 1.00 0.00 C ATOM 632 SD MET B 41 -2.232 18.804 13.709 1.00 0.00 S ATOM 633 CE MET B 41 -1.523 20.243 12.911 1.00 0.00 C ATOM 0 HA MET B 41 -1.021 15.090 11.619 1.00 0.00 H new ATOM 0 HB2 MET B 41 -3.458 16.209 13.055 1.00 0.00 H new ATOM 0 HB3 MET B 41 -1.926 15.889 13.845 1.00 0.00 H new ATOM 0 HG2 MET B 41 -0.806 17.488 12.308 1.00 0.00 H new ATOM 0 HG3 MET B 41 -2.343 17.814 11.532 1.00 0.00 H new ATOM 0 HE1 MET B 41 -1.659 21.117 13.548 1.00 0.00 H new ATOM 0 HE2 MET B 41 -0.459 20.079 12.743 1.00 0.00 H new ATOM 0 HE3 MET B 41 -2.019 20.411 11.955 1.00 0.00 H new ATOM 645 N ASN B 42 -1.756 12.665 11.951 1.00 0.00 N ATOM 646 CA ASN B 42 -1.960 11.305 12.437 1.00 0.00 C ATOM 647 C ASN B 42 -0.651 10.750 12.970 1.00 0.00 C ATOM 648 O ASN B 42 0.232 11.506 13.374 1.00 0.00 O ATOM 649 CB ASN B 42 -2.507 10.408 11.322 1.00 0.00 C ATOM 650 CG ASN B 42 -3.784 10.952 10.716 1.00 0.00 C ATOM 651 OD1 ASN B 42 -3.758 11.651 9.701 1.00 0.00 O ATOM 652 ND2 ASN B 42 -4.909 10.655 11.343 1.00 0.00 N ATOM 0 H ASN B 42 -1.075 12.743 11.196 1.00 0.00 H new ATOM 0 HA ASN B 42 -2.693 11.326 13.244 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -1.754 10.304 10.541 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.693 9.411 11.721 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -5.798 11.008 10.989 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.888 10.073 12.180 1.00 0.00 H new ATOM 659 N LYS B 43 -0.537 9.438 12.979 1.00 0.00 N ATOM 660 CA LYS B 43 0.666 8.775 13.459 1.00 0.00 C ATOM 661 C LYS B 43 1.775 8.876 12.423 1.00 0.00 C ATOM 662 O LYS B 43 1.545 9.298 11.287 1.00 0.00 O ATOM 663 CB LYS B 43 0.396 7.299 13.786 1.00 0.00 C ATOM 664 CG LYS B 43 -0.671 7.089 14.848 1.00 0.00 C ATOM 665 CD LYS B 43 -2.072 7.125 14.257 1.00 0.00 C ATOM 666 CE LYS B 43 -3.124 7.330 15.327 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.072 6.270 16.371 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.267 8.802 12.657 1.00 0.00 H new ATOM 0 HA LYS B 43 0.979 9.278 14.374 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.093 6.784 12.874 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.324 6.835 14.121 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.509 6.130 15.341 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.579 7.860 15.613 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.137 7.928 13.523 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.268 6.193 13.727 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -2.982 8.305 15.793 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.112 7.338 14.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -3.907 6.348 16.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.063 5.335 15.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.210 6.386 16.941 1.00 0.00 H new ATOM 681 N THR B 44 2.970 8.490 12.820 1.00 0.00 N ATOM 682 CA THR B 44 4.118 8.533 11.939 1.00 0.00 C ATOM 683 C THR B 44 4.636 7.135 11.637 1.00 0.00 C ATOM 684 O THR B 44 4.306 6.175 12.337 1.00 0.00 O ATOM 685 CB THR B 44 5.239 9.384 12.544 1.00 0.00 C ATOM 686 OG1 THR B 44 5.256 9.239 13.971 1.00 0.00 O ATOM 687 CG2 THR B 44 5.059 10.841 12.170 1.00 0.00 C ATOM 0 H THR B 44 3.172 8.140 13.756 1.00 0.00 H new ATOM 0 HA THR B 44 3.794 8.990 11.004 1.00 0.00 H new ATOM 0 HB THR B 44 6.192 9.037 12.143 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.977 9.786 14.347 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.864 11.431 12.608 1.00 0.00 H new ATOM 0 HG22 THR B 44 5.083 10.944 11.085 1.00 0.00 H new ATOM 0 HG23 THR B 44 4.101 11.198 12.547 1.00 0.00 H new ATOM 695 N LEU B 45 5.454 7.031 10.601 1.00 0.00 N ATOM 696 CA LEU B 45 5.945 5.741 10.143 1.00 0.00 C ATOM 697 C LEU B 45 7.105 5.245 10.981 1.00 0.00 C ATOM 698 O LEU B 45 7.621 5.963 11.841 1.00 0.00 O ATOM 699 CB LEU B 45 6.363 5.803 8.675 1.00 0.00 C ATOM 700 CG LEU B 45 5.231 6.103 7.705 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.710 5.984 6.272 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.076 5.164 7.963 1.00 0.00 C ATOM 0 H LEU B 45 5.792 7.827 10.060 1.00 0.00 H new ATOM 0 HA LEU B 45 5.121 5.036 10.252 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.132 6.567 8.562 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.817 4.851 8.400 1.00 0.00 H new ATOM 0 HG LEU B 45 4.893 7.127 7.861 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.885 6.202 5.593 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.520 6.693 6.099 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.070 4.971 6.092 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.267 5.382 7.266 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.406 4.134 7.825 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.720 5.297 8.985 1.00 0.00 H new ATOM 714 N LYS B 46 7.521 4.024 10.707 1.00 0.00 N ATOM 715 CA LYS B 46 8.568 3.380 11.473 1.00 0.00 C ATOM 716 C LYS B 46 9.924 3.881 10.997 1.00 0.00 C ATOM 717 O LYS B 46 10.730 4.388 11.779 1.00 0.00 O ATOM 718 CB LYS B 46 8.472 1.862 11.299 1.00 0.00 C ATOM 719 CG LYS B 46 7.047 1.318 11.338 1.00 0.00 C ATOM 720 CD LYS B 46 6.327 1.641 12.635 1.00 0.00 C ATOM 721 CE LYS B 46 7.006 0.994 13.831 1.00 0.00 C ATOM 722 NZ LYS B 46 6.136 1.025 15.036 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.144 3.453 9.950 1.00 0.00 H new ATOM 0 HA LYS B 46 8.451 3.621 12.530 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.928 1.587 10.348 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.055 1.380 12.084 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.483 1.731 10.502 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.072 0.237 11.202 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.296 2.722 12.775 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.294 1.298 12.573 1.00 0.00 H new ATOM 0 HE2 LYS B 46 7.260 -0.038 13.591 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.941 1.512 14.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 6.690 0.749 15.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 5.763 1.986 15.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 5.345 0.361 14.911 1.00 0.00 H new ATOM 736 N THR B 47 10.148 3.758 9.698 1.00 0.00 N ATOM 737 CA THR B 47 11.365 4.237 9.074 1.00 0.00 C ATOM 738 C THR B 47 11.243 5.726 8.771 1.00 0.00 C ATOM 739 O THR B 47 10.266 6.165 8.173 1.00 0.00 O ATOM 740 CB THR B 47 11.639 3.479 7.765 1.00 0.00 C ATOM 741 OG1 THR B 47 11.638 2.065 8.006 1.00 0.00 O ATOM 742 CG2 THR B 47 12.970 3.902 7.170 1.00 0.00 C ATOM 0 H THR B 47 9.491 3.324 9.050 1.00 0.00 H new ATOM 0 HA THR B 47 12.191 4.066 9.764 1.00 0.00 H new ATOM 0 HB THR B 47 10.849 3.721 7.054 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.803 1.677 7.670 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.145 3.354 6.244 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.952 4.972 6.961 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.770 3.685 7.877 1.00 0.00 H new ATOM 750 N LYS B 48 12.244 6.499 9.177 1.00 0.00 N ATOM 751 CA LYS B 48 12.205 7.948 9.019 1.00 0.00 C ATOM 752 C LYS B 48 12.331 8.349 7.553 1.00 0.00 C ATOM 753 O LYS B 48 11.746 9.339 7.122 1.00 0.00 O ATOM 754 CB LYS B 48 13.313 8.596 9.846 1.00 0.00 C ATOM 755 CG LYS B 48 13.263 10.120 9.870 1.00 0.00 C ATOM 756 CD LYS B 48 11.912 10.653 10.338 1.00 0.00 C ATOM 757 CE LYS B 48 11.549 10.149 11.727 1.00 0.00 C ATOM 758 NZ LYS B 48 10.295 10.765 12.231 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.093 6.146 9.618 1.00 0.00 H new ATOM 0 HA LYS B 48 11.239 8.302 9.379 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.252 8.225 10.869 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.278 8.281 9.450 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.046 10.496 10.529 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.475 10.503 8.872 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.934 11.743 10.342 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.139 10.353 9.630 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.436 9.065 11.702 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.364 10.368 12.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.974 10.255 13.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.470 11.761 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.562 10.711 11.495 1.00 0.00 H new ATOM 772 N ALA B 49 13.090 7.565 6.793 1.00 0.00 N ATOM 773 CA ALA B 49 13.250 7.786 5.357 1.00 0.00 C ATOM 774 C ALA B 49 11.953 7.500 4.608 1.00 0.00 C ATOM 775 O ALA B 49 11.842 7.761 3.413 1.00 0.00 O ATOM 776 CB ALA B 49 14.374 6.917 4.812 1.00 0.00 C ATOM 0 H ALA B 49 13.609 6.763 7.151 1.00 0.00 H new ATOM 0 HA ALA B 49 13.505 8.835 5.204 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.482 7.091 3.742 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.306 7.169 5.317 1.00 0.00 H new ATOM 0 HB3 ALA B 49 14.139 5.867 4.987 1.00 0.00 H new ATOM 782 N PHE B 50 10.992 6.932 5.321 1.00 0.00 N ATOM 783 CA PHE B 50 9.656 6.701 4.793 1.00 0.00 C ATOM 784 C PHE B 50 8.687 7.698 5.410 1.00 0.00 C ATOM 785 O PHE B 50 7.842 8.283 4.729 1.00 0.00 O ATOM 786 CB PHE B 50 9.193 5.279 5.124 1.00 0.00 C ATOM 787 CG PHE B 50 9.674 4.225 4.171 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.979 4.216 3.704 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.807 3.235 3.746 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.409 3.238 2.828 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.230 2.255 2.870 1.00 0.00 C ATOM 792 CZ PHE B 50 10.533 2.256 2.409 1.00 0.00 C ATOM 0 H PHE B 50 11.117 6.618 6.283 1.00 0.00 H new ATOM 0 HA PHE B 50 9.679 6.827 3.711 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.534 5.025 6.128 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.103 5.262 5.144 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.667 4.982 4.029 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.788 3.228 4.103 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.428 3.241 2.471 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.543 1.488 2.545 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.865 1.491 1.723 1.00 0.00 H new ATOM 802 N ASP B 51 8.842 7.875 6.715 1.00 0.00 N ATOM 803 CA ASP B 51 7.977 8.730 7.513 1.00 0.00 C ATOM 804 C ASP B 51 7.939 10.152 6.987 1.00 0.00 C ATOM 805 O ASP B 51 6.871 10.761 6.902 1.00 0.00 O ATOM 806 CB ASP B 51 8.457 8.742 8.963 1.00 0.00 C ATOM 807 CG ASP B 51 7.575 9.577 9.853 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.344 9.440 9.761 1.00 0.00 O ATOM 809 OD2 ASP B 51 8.119 10.347 10.677 1.00 0.00 O1- ATOM 0 H ASP B 51 9.581 7.423 7.254 1.00 0.00 H new ATOM 0 HA ASP B 51 6.968 8.322 7.451 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.487 7.720 9.341 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.476 9.126 9.002 1.00 0.00 H new ATOM 814 N ASP B 52 9.102 10.674 6.618 1.00 0.00 N ATOM 815 CA ASP B 52 9.197 12.059 6.189 1.00 0.00 C ATOM 816 C ASP B 52 8.318 12.305 4.967 1.00 0.00 C ATOM 817 O ASP B 52 7.691 13.349 4.853 1.00 0.00 O ATOM 818 CB ASP B 52 10.653 12.464 5.914 1.00 0.00 C ATOM 819 CG ASP B 52 11.192 11.957 4.592 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.034 12.662 3.572 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 11.796 10.868 4.574 1.00 0.00 O ATOM 0 H ASP B 52 9.984 10.162 6.608 1.00 0.00 H new ATOM 0 HA ASP B 52 8.833 12.687 7.003 1.00 0.00 H new ATOM 0 HB2 ASP B 52 10.727 13.551 5.932 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.283 12.088 6.720 1.00 0.00 H new ATOM 826 N ILE B 53 8.228 11.324 4.087 1.00 0.00 N ATOM 827 CA ILE B 53 7.393 11.443 2.901 1.00 0.00 C ATOM 828 C ILE B 53 5.923 11.413 3.277 1.00 0.00 C ATOM 829 O ILE B 53 5.137 12.220 2.794 1.00 0.00 O ATOM 830 CB ILE B 53 7.689 10.318 1.904 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.139 10.414 1.463 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.752 10.385 0.703 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.860 9.102 1.535 1.00 0.00 C ATOM 0 H ILE B 53 8.722 10.435 4.169 1.00 0.00 H new ATOM 0 HA ILE B 53 7.624 12.399 2.430 1.00 0.00 H new ATOM 0 HB ILE B 53 7.521 9.358 2.392 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.178 10.788 0.440 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.656 11.142 2.089 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.986 9.574 0.013 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.720 10.287 1.041 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.879 11.341 0.195 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.891 9.235 1.208 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.850 8.737 2.562 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.364 8.378 0.888 1.00 0.00 H new ATOM 845 N TYR B 54 5.561 10.493 4.159 1.00 0.00 N ATOM 846 CA TYR B 54 4.185 10.387 4.626 1.00 0.00 C ATOM 847 C TYR B 54 3.750 11.680 5.321 1.00 0.00 C ATOM 848 O TYR B 54 2.564 12.005 5.361 1.00 0.00 O ATOM 849 CB TYR B 54 4.028 9.193 5.572 1.00 0.00 C ATOM 850 CG TYR B 54 2.588 8.847 5.881 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.791 8.214 4.934 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.022 9.156 7.110 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.473 7.899 5.203 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.703 8.845 7.386 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.066 8.215 6.429 1.00 0.00 C ATOM 856 OH TYR B 54 -1.380 7.904 6.701 1.00 0.00 O ATOM 0 H TYR B 54 6.200 9.809 4.566 1.00 0.00 H new ATOM 0 HA TYR B 54 3.542 10.228 3.760 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.514 8.324 5.129 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.549 9.409 6.505 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.210 7.964 3.970 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.621 9.647 7.863 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.131 7.407 4.455 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.277 9.094 8.346 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.638 7.103 6.198 1.00 0.00 H new ATOM 866 N GLN B 55 4.715 12.423 5.857 1.00 0.00 N ATOM 867 CA GLN B 55 4.426 13.700 6.495 1.00 0.00 C ATOM 868 C GLN B 55 4.436 14.823 5.467 1.00 0.00 C ATOM 869 O GLN B 55 3.761 15.837 5.624 1.00 0.00 O ATOM 870 CB GLN B 55 5.452 14.000 7.589 1.00 0.00 C ATOM 871 CG GLN B 55 5.490 12.972 8.710 1.00 0.00 C ATOM 872 CD GLN B 55 4.125 12.708 9.316 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.692 13.412 10.229 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.457 11.673 8.839 1.00 0.00 N ATOM 0 H GLN B 55 5.701 12.162 5.861 1.00 0.00 H new ATOM 0 HA GLN B 55 3.435 13.636 6.945 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.441 14.063 7.136 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.234 14.979 8.016 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.898 12.037 8.325 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.168 13.318 9.491 1.00 0.00 H new ATOM 0 HE21 GLN B 55 3.852 11.116 8.082 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.546 11.431 9.228 1.00 0.00 H new ATOM 883 N ASN B 56 5.200 14.621 4.406 1.00 0.00 N ATOM 884 CA ASN B 56 5.367 15.632 3.370 1.00 0.00 C ATOM 885 C ASN B 56 4.541 15.297 2.138 1.00 0.00 C ATOM 886 O ASN B 56 4.921 15.622 1.014 1.00 0.00 O ATOM 887 CB ASN B 56 6.849 15.767 2.996 1.00 0.00 C ATOM 888 CG ASN B 56 7.626 16.572 4.023 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.764 17.789 3.903 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.127 15.904 5.046 1.00 0.00 N ATOM 0 H ASN B 56 5.719 13.759 4.237 1.00 0.00 H new ATOM 0 HA ASN B 56 5.012 16.584 3.765 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.291 14.775 2.904 1.00 0.00 H new ATOM 0 HB3 ASN B 56 6.934 16.246 2.021 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.649 16.397 5.771 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.992 14.895 5.112 1.00 0.00 H new ATOM 897 N SER B 57 3.407 14.648 2.349 1.00 0.00 N ATOM 898 CA SER B 57 2.529 14.294 1.250 1.00 0.00 C ATOM 899 C SER B 57 1.072 14.579 1.595 1.00 0.00 C ATOM 900 O SER B 57 0.307 13.673 1.931 1.00 0.00 O ATOM 901 CB SER B 57 2.698 12.822 0.878 1.00 0.00 C ATOM 902 OG SER B 57 2.595 12.001 2.023 1.00 0.00 O ATOM 0 H SER B 57 3.075 14.357 3.269 1.00 0.00 H new ATOM 0 HA SER B 57 2.806 14.909 0.394 1.00 0.00 H new ATOM 0 HB2 SER B 57 1.938 12.536 0.150 1.00 0.00 H new ATOM 0 HB3 SER B 57 3.667 12.671 0.403 1.00 0.00 H new ATOM 0 HG SER B 57 3.491 11.819 2.377 1.00 0.00 H new ATOM 908 N ALA B 58 0.683 15.840 1.501 1.00 0.00 N ATOM 909 CA ALA B 58 -0.710 16.216 1.688 1.00 0.00 C ATOM 910 C ALA B 58 -1.543 15.658 0.541 1.00 0.00 C ATOM 911 O ALA B 58 -2.757 15.481 0.660 1.00 0.00 O ATOM 912 CB ALA B 58 -0.848 17.726 1.768 1.00 0.00 C ATOM 0 H ALA B 58 1.309 16.619 1.297 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.072 15.797 2.627 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.897 17.989 1.908 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.265 18.101 2.609 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.482 18.174 0.844 1.00 0.00 H new ATOM 918 N GLU B 59 -0.857 15.356 -0.556 1.00 0.00 N ATOM 919 CA GLU B 59 -1.492 14.812 -1.749 1.00 0.00 C ATOM 920 C GLU B 59 -1.725 13.319 -1.565 1.00 0.00 C ATOM 921 O GLU B 59 -2.656 12.740 -2.114 1.00 0.00 O ATOM 922 CB GLU B 59 -0.594 15.033 -2.966 1.00 0.00 C ATOM 923 CG GLU B 59 -0.064 16.449 -3.096 1.00 0.00 C ATOM 924 CD GLU B 59 -1.150 17.464 -3.383 1.00 0.00 C ATOM 925 OE1 GLU B 59 -1.528 17.617 -4.563 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 -1.626 18.122 -2.437 1.00 0.00 O ATOM 0 H GLU B 59 0.152 15.481 -0.642 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.444 15.318 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.249 14.344 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.153 14.782 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.449 16.725 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.676 16.482 -3.895 1.00 0.00 H new ATOM 933 N LEU B 60 -0.848 12.706 -0.791 1.00 0.00 N ATOM 934 CA LEU B 60 -0.921 11.280 -0.524 1.00 0.00 C ATOM 935 C LEU B 60 -1.890 10.986 0.612 1.00 0.00 C ATOM 936 O LEU B 60 -2.711 10.078 0.518 1.00 0.00 O ATOM 937 CB LEU B 60 0.455 10.753 -0.156 1.00 0.00 C ATOM 938 CG LEU B 60 0.522 9.258 0.074 1.00 0.00 C ATOM 939 CD1 LEU B 60 0.388 8.515 -1.239 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.802 8.887 0.785 1.00 0.00 C ATOM 0 H LEU B 60 -0.069 13.179 -0.332 1.00 0.00 H new ATOM 0 HA LEU B 60 -1.279 10.785 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.154 11.016 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU B 60 0.793 11.261 0.747 1.00 0.00 H new ATOM 0 HG LEU B 60 -0.311 8.965 0.713 1.00 0.00 H new ATOM 0 HD11 LEU B 60 0.438 7.442 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -0.569 8.760 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU B 60 1.198 8.808 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.832 7.809 0.941 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.656 9.190 0.179 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.843 9.395 1.749 1.00 0.00 H new ATOM 952 N GLN B 61 -1.788 11.764 1.687 1.00 0.00 N ATOM 953 CA GLN B 61 -2.638 11.575 2.859 1.00 0.00 C ATOM 954 C GLN B 61 -4.112 11.689 2.487 1.00 0.00 C ATOM 955 O GLN B 61 -4.970 11.085 3.129 1.00 0.00 O ATOM 956 CB GLN B 61 -2.276 12.593 3.950 1.00 0.00 C ATOM 957 CG GLN B 61 -3.197 12.573 5.169 1.00 0.00 C ATOM 958 CD GLN B 61 -3.285 11.214 5.851 1.00 0.00 C ATOM 959 OE1 GLN B 61 -4.309 10.874 6.448 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.226 10.428 5.766 1.00 0.00 N ATOM 0 H GLN B 61 -1.123 12.533 1.770 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.466 10.571 3.248 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.254 12.405 4.280 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.292 13.593 3.516 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.844 13.309 5.891 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -4.197 12.881 4.862 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.396 10.743 5.264 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.239 9.506 6.203 1.00 0.00 H new ATOM 969 N GLU B 62 -4.402 12.429 1.424 1.00 0.00 N ATOM 970 CA GLU B 62 -5.782 12.609 0.999 1.00 0.00 C ATOM 971 C GLU B 62 -6.297 11.329 0.354 1.00 0.00 C ATOM 972 O GLU B 62 -7.504 11.110 0.262 1.00 0.00 O ATOM 973 CB GLU B 62 -5.928 13.798 0.045 1.00 0.00 C ATOM 974 CG GLU B 62 -5.497 13.518 -1.383 1.00 0.00 C ATOM 975 CD GLU B 62 -5.661 14.728 -2.278 1.00 0.00 C ATOM 976 OE1 GLU B 62 -6.789 14.959 -2.770 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -4.677 15.462 -2.485 1.00 0.00 O ATOM 0 H GLU B 62 -3.710 12.908 0.848 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.384 12.828 1.881 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.970 14.117 0.040 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.341 14.631 0.431 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.454 13.202 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -6.084 12.691 -1.782 1.00 0.00 H new ATOM 984 N LEU B 63 -5.373 10.475 -0.078 1.00 0.00 N ATOM 985 CA LEU B 63 -5.741 9.202 -0.668 1.00 0.00 C ATOM 986 C LEU B 63 -5.998 8.191 0.441 1.00 0.00 C ATOM 987 O LEU B 63 -6.902 7.364 0.350 1.00 0.00 O ATOM 988 CB LEU B 63 -4.634 8.709 -1.602 1.00 0.00 C ATOM 989 CG LEU B 63 -4.222 9.704 -2.692 1.00 0.00 C ATOM 990 CD1 LEU B 63 -3.021 9.184 -3.458 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.377 9.978 -3.641 1.00 0.00 C ATOM 0 H LEU B 63 -4.369 10.645 -0.029 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.650 9.324 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.756 8.463 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.964 7.786 -2.078 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.948 10.642 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.742 9.903 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.185 9.043 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.272 8.231 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.059 10.687 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.687 9.047 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.215 10.397 -3.083 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.217 8.300 1.510 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.385 7.449 2.686 1.00 0.00 C ATOM 1005 C LEU B 64 -6.663 7.798 3.447 1.00 0.00 C ATOM 1006 O LEU B 64 -7.013 7.141 4.425 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.167 7.556 3.618 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.947 6.710 3.225 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -3.353 5.272 2.931 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -2.222 7.322 2.036 1.00 0.00 C ATOM 0 H LEU B 64 -4.455 8.974 1.588 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.468 6.420 2.336 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.861 8.601 3.665 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.476 7.269 4.623 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.259 6.700 4.071 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -2.471 4.694 2.655 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -3.811 4.834 3.818 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -4.068 5.257 2.109 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -1.362 6.704 1.777 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -2.900 7.375 1.184 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -1.884 8.326 2.293 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.357 8.836 3.000 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.642 9.195 3.581 1.00 0.00 C ATOM 1024 C LYS B 65 -9.745 8.317 3.002 1.00 0.00 C ATOM 1025 O LYS B 65 -10.821 8.180 3.587 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.953 10.673 3.332 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.996 11.619 4.038 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.300 13.077 3.729 1.00 0.00 C ATOM 1029 CE LYS B 65 -9.704 13.472 4.162 1.00 0.00 C ATOM 1030 NZ LYS B 65 -9.932 14.936 4.030 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.052 9.442 2.239 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.592 9.032 4.658 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.920 10.868 2.260 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.970 10.883 3.663 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.055 11.457 5.114 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.974 11.391 3.737 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.573 13.713 4.233 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.188 13.251 2.659 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.435 12.934 3.558 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.863 13.171 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -10.900 15.166 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -9.251 15.449 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.805 15.219 3.037 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.466 7.714 1.854 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.424 6.844 1.194 1.00 0.00 C ATOM 1046 C TYR B 66 -10.260 5.409 1.668 1.00 0.00 C ATOM 1047 O TYR B 66 -9.145 4.886 1.743 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.249 6.902 -0.323 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.579 8.244 -0.930 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.895 8.676 -1.027 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.576 9.076 -1.410 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -12.203 9.898 -1.588 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.875 10.302 -1.971 1.00 0.00 C ATOM 1054 CZ TYR B 66 -11.192 10.707 -2.056 1.00 0.00 C ATOM 1055 OH TYR B 66 -11.501 11.924 -2.617 1.00 0.00 O ATOM 0 H TYR B 66 -8.579 7.814 1.360 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.424 7.192 1.451 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.218 6.647 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.883 6.142 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.690 8.045 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.546 8.759 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -13.232 10.218 -1.660 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -9.085 10.939 -2.340 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.677 12.374 -2.897 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.380 4.775 1.981 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.375 3.394 2.447 1.00 0.00 C ATOM 1067 C ASN B 67 -11.148 2.440 1.287 1.00 0.00 C ATOM 1068 O ASN B 67 -10.694 1.318 1.480 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.687 3.050 3.153 1.00 0.00 C ATOM 1070 CG ASN B 67 -12.815 3.703 4.514 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -11.818 3.952 5.193 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.041 3.974 4.924 1.00 0.00 N ATOM 0 H ASN B 67 -12.307 5.195 1.921 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.558 3.286 3.160 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.523 3.361 2.527 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.759 1.968 3.267 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.190 4.407 5.836 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -14.839 3.751 4.329 1.00 0.00 H new ATOM 1079 N THR B 68 -11.450 2.905 0.083 1.00 0.00 N ATOM 1080 CA THR B 68 -11.256 2.115 -1.124 1.00 0.00 C ATOM 1081 C THR B 68 -9.767 1.907 -1.355 1.00 0.00 C ATOM 1082 O THR B 68 -9.314 0.833 -1.764 1.00 0.00 O ATOM 1083 CB THR B 68 -11.873 2.833 -2.344 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.263 3.097 -2.108 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.712 2.008 -3.609 1.00 0.00 C ATOM 0 H THR B 68 -11.834 3.835 -0.084 1.00 0.00 H new ATOM 0 HA THR B 68 -11.750 1.151 -0.999 1.00 0.00 H new ATOM 0 HB THR B 68 -11.343 3.775 -2.483 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.646 3.554 -2.886 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.157 2.541 -4.450 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.652 1.843 -3.803 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.212 1.047 -3.483 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.022 2.955 -1.056 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.579 2.951 -1.152 1.00 0.00 C ATOM 1095 C VAL B 69 -6.984 2.012 -0.118 1.00 0.00 C ATOM 1096 O VAL B 69 -6.334 1.019 -0.451 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.043 4.375 -0.923 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.527 4.405 -0.874 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.562 5.296 -2.002 1.00 0.00 C ATOM 0 H VAL B 69 -9.409 3.843 -0.736 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.293 2.607 -2.146 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.402 4.720 0.047 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.188 5.428 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.177 3.772 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.125 4.036 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.180 6.303 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.230 4.938 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.652 5.312 -1.974 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.242 2.336 1.138 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.726 1.567 2.270 1.00 0.00 C ATOM 1111 C LYS B 70 -7.119 0.092 2.190 1.00 0.00 C ATOM 1112 O LYS B 70 -6.359 -0.774 2.615 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.213 2.167 3.591 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.649 3.551 3.874 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.084 4.071 5.237 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.573 4.379 5.277 1.00 0.00 C ATOM 1117 NZ LYS B 70 -9.009 4.826 6.626 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.813 3.137 1.407 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.638 1.622 2.227 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.301 2.223 3.576 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -6.940 1.498 4.407 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.560 3.516 3.829 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -6.978 4.243 3.099 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.846 3.331 6.001 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.520 4.972 5.479 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.804 5.153 4.545 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.136 3.491 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -10.048 4.831 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.634 4.175 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.650 5.785 6.807 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.295 -0.191 1.640 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.771 -1.568 1.507 1.00 0.00 C ATOM 1133 C PHE B 71 -7.818 -2.407 0.663 1.00 0.00 C ATOM 1134 O PHE B 71 -7.335 -3.451 1.100 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.171 -1.590 0.885 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.614 -2.953 0.429 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -10.927 -3.943 1.345 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.717 -3.239 -0.922 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.332 -5.193 0.921 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.122 -4.485 -1.352 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.430 -5.465 -0.429 1.00 0.00 C ATOM 0 H PHE B 71 -8.938 0.513 1.278 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.813 -2.001 2.506 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.888 -1.211 1.614 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.191 -0.909 0.034 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.854 -3.735 2.402 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.477 -2.476 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.572 -5.958 1.645 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.198 -4.694 -2.409 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.747 -6.442 -0.763 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.542 -1.941 -0.546 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.699 -2.686 -1.469 1.00 0.00 C ATOM 1153 C HIS B 72 -5.258 -2.724 -0.982 1.00 0.00 C ATOM 1154 O HIS B 72 -4.535 -3.689 -1.229 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.781 -2.089 -2.872 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.038 -2.466 -3.595 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -8.984 -1.548 -3.999 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.503 -3.677 -3.984 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -9.977 -2.179 -4.598 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.709 -3.469 -4.602 1.00 0.00 N ATOM 0 H HIS B 72 -7.888 -1.053 -0.910 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.066 -3.712 -1.510 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.720 -1.003 -2.803 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.921 -2.421 -3.453 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -8.926 -0.540 -3.857 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.015 -4.629 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -10.860 -1.716 -5.014 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.857 -1.682 -0.272 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.522 -1.620 0.302 1.00 0.00 C ATOM 1171 C LEU B 73 -3.396 -2.599 1.469 1.00 0.00 C ATOM 1172 O LEU B 73 -2.356 -3.220 1.666 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.214 -0.198 0.769 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.184 0.870 -0.327 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.869 2.231 0.272 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.170 0.512 -1.404 1.00 0.00 C ATOM 0 H LEU B 73 -5.438 -0.866 -0.079 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.801 -1.902 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.959 0.090 1.511 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.247 -0.202 1.273 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.169 0.913 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.851 2.981 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.634 2.493 1.003 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.896 2.197 0.762 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.167 1.285 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.178 0.438 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.439 -0.444 -1.853 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.467 -2.744 2.235 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.481 -3.664 3.366 1.00 0.00 C ATOM 1190 C ALA B 74 -4.399 -5.108 2.896 1.00 0.00 C ATOM 1191 O ALA B 74 -3.822 -5.959 3.573 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.725 -3.453 4.203 1.00 0.00 C ATOM 0 H ALA B 74 -5.340 -2.236 2.095 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.605 -3.457 3.981 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.720 -4.147 5.043 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.742 -2.430 4.578 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.610 -3.630 3.591 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.967 -5.377 1.729 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.936 -6.718 1.165 1.00 0.00 C ATOM 1200 C LYS B 75 -3.506 -7.153 0.869 1.00 0.00 C ATOM 1201 O LYS B 75 -3.177 -8.336 0.974 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.783 -6.804 -0.105 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.269 -6.572 0.134 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.098 -6.913 -1.095 1.00 0.00 C ATOM 1205 CE LYS B 75 -8.035 -8.401 -1.410 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.890 -8.766 -2.567 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.453 -4.687 1.156 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.359 -7.394 1.908 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.420 -6.069 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.646 -7.786 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.601 -7.179 0.976 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.435 -5.530 0.407 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.134 -6.618 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.736 -6.343 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.003 -8.683 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.349 -8.970 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.816 -9.788 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.879 -8.522 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.575 -8.244 -3.410 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.648 -6.202 0.513 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.257 -6.527 0.237 1.00 0.00 C ATOM 1222 C VAL B 76 -0.476 -6.612 1.546 1.00 0.00 C ATOM 1223 O VAL B 76 0.484 -7.368 1.654 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.581 -5.520 -0.731 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.512 -5.180 -1.883 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.123 -4.257 -0.018 1.00 0.00 C ATOM 0 H VAL B 76 -2.888 -5.216 0.411 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.246 -7.495 -0.265 1.00 0.00 H new ATOM 0 HB VAL B 76 0.311 -6.004 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.021 -4.473 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.757 -6.089 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.427 -4.735 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.344 -3.583 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.982 -3.764 0.437 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.598 -4.518 0.757 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.924 -5.859 2.549 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.308 -5.884 3.872 1.00 0.00 C ATOM 1238 C TYR B 77 -0.390 -7.289 4.465 1.00 0.00 C ATOM 1239 O TYR B 77 0.495 -7.723 5.205 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.998 -4.866 4.791 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.430 -4.797 6.193 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.941 -4.764 6.408 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.268 -4.754 7.301 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.461 -4.691 7.684 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.754 -4.681 8.582 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.613 -4.649 8.767 1.00 0.00 C ATOM 1247 OH TYR B 77 1.134 -4.572 10.039 1.00 0.00 O ATOM 0 H TYR B 77 -1.716 -5.221 2.468 1.00 0.00 H new ATOM 0 HA TYR B 77 0.743 -5.612 3.781 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.927 -3.878 4.335 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -2.058 -5.113 4.854 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.612 -4.796 5.562 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.338 -4.778 7.159 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.530 -4.667 7.832 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.418 -4.649 9.433 1.00 0.00 H new ATOM 0 HH TYR B 77 0.403 -4.550 10.691 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.450 -8.002 4.106 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.644 -9.381 4.538 1.00 0.00 C ATOM 1259 C ARG B 78 -0.630 -10.306 3.874 1.00 0.00 C ATOM 1260 O ARG B 78 -0.362 -11.406 4.352 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.055 -9.831 4.215 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.086 -8.968 4.899 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.457 -9.597 4.861 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.514 -10.855 5.606 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.628 -11.559 5.805 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.786 -11.137 5.310 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -6.582 -12.689 6.500 1.00 0.00 N ATOM 0 H ARG B 78 -2.196 -7.643 3.510 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.493 -9.429 5.616 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.210 -9.797 3.137 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.186 -10.868 4.524 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.791 -8.801 5.935 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.121 -7.991 4.416 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -6.185 -8.900 5.275 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.742 -9.778 3.825 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.645 -11.217 5.999 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.826 -10.270 4.774 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.635 -11.680 5.466 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -5.695 -13.018 6.881 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -7.434 -13.229 6.653 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.082 -9.846 2.762 1.00 0.00 N ATOM 1282 CA ILE B 79 0.896 -10.616 2.002 1.00 0.00 C ATOM 1283 C ILE B 79 2.314 -10.397 2.536 1.00 0.00 C ATOM 1284 O ILE B 79 3.085 -11.345 2.670 1.00 0.00 O ATOM 1285 CB ILE B 79 0.856 -10.244 0.505 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.565 -10.394 -0.041 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.821 -11.113 -0.288 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.721 -9.925 -1.471 1.00 0.00 C ATOM 0 H ILE B 79 -0.299 -8.934 2.360 1.00 0.00 H new ATOM 0 HA ILE B 79 0.631 -11.667 2.118 1.00 0.00 H new ATOM 0 HB ILE B 79 1.163 -9.204 0.400 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.860 -11.441 0.023 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.250 -9.831 0.593 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.779 -10.836 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.834 -10.966 0.086 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.542 -12.161 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.755 -10.062 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.458 -8.869 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.063 -10.505 -2.118 1.00 0.00 H new ATOM 1300 N LEU B 80 2.656 -9.147 2.844 1.00 0.00 N ATOM 1301 CA LEU B 80 3.998 -8.831 3.338 1.00 0.00 C ATOM 1302 C LEU B 80 4.220 -9.381 4.742 1.00 0.00 C ATOM 1303 O LEU B 80 5.353 -9.458 5.216 1.00 0.00 O ATOM 1304 CB LEU B 80 4.277 -7.321 3.332 1.00 0.00 C ATOM 1305 CG LEU B 80 4.501 -6.677 1.956 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.272 -7.609 1.038 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.186 -6.257 1.329 1.00 0.00 C ATOM 0 H LEU B 80 2.032 -8.344 2.762 1.00 0.00 H new ATOM 0 HA LEU B 80 4.695 -9.312 2.652 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.440 -6.816 3.814 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.158 -7.133 3.945 1.00 0.00 H new ATOM 0 HG LEU B 80 5.101 -5.779 2.101 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.417 -7.129 0.070 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.242 -7.835 1.480 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.711 -8.534 0.904 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.375 -5.804 0.356 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.547 -7.131 1.205 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.689 -5.533 1.975 1.00 0.00 H new ATOM 1319 N SER B 81 3.141 -9.766 5.403 1.00 0.00 N ATOM 1320 CA SER B 81 3.232 -10.371 6.722 1.00 0.00 C ATOM 1321 C SER B 81 3.315 -11.893 6.603 1.00 0.00 C ATOM 1322 O SER B 81 2.932 -12.623 7.522 1.00 0.00 O ATOM 1323 CB SER B 81 2.034 -9.941 7.571 1.00 0.00 C ATOM 1324 OG SER B 81 0.843 -9.922 6.799 1.00 0.00 O ATOM 0 H SER B 81 2.190 -9.670 5.047 1.00 0.00 H new ATOM 0 HA SER B 81 4.141 -10.028 7.216 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.916 -10.625 8.412 1.00 0.00 H new ATOM 0 HB3 SER B 81 2.217 -8.951 7.989 1.00 0.00 H new ATOM 0 HG SER B 81 0.788 -9.078 6.304 1.00 0.00 H new ATOM 1330 N SER B 82 3.825 -12.344 5.451 1.00 0.00 N ATOM 1331 CA SER B 82 4.011 -13.762 5.144 1.00 0.00 C ATOM 1332 C SER B 82 2.675 -14.436 4.836 1.00 0.00 C ATOM 1333 O SER B 82 1.606 -13.936 5.185 1.00 0.00 O ATOM 1334 CB SER B 82 4.736 -14.487 6.289 1.00 0.00 C ATOM 1335 OG SER B 82 5.031 -15.835 5.948 1.00 0.00 O ATOM 0 H SER B 82 4.123 -11.724 4.698 1.00 0.00 H new ATOM 0 HA SER B 82 4.637 -13.829 4.254 1.00 0.00 H new ATOM 0 HB2 SER B 82 5.660 -13.960 6.527 1.00 0.00 H new ATOM 0 HB3 SER B 82 4.116 -14.465 7.185 1.00 0.00 H new ATOM 0 HG SER B 82 5.701 -15.852 5.233 1.00 0.00 H new ATOM 1341 N THR B 83 2.753 -15.569 4.150 1.00 0.00 N ATOM 1342 CA THR B 83 1.576 -16.343 3.793 1.00 0.00 C ATOM 1343 C THR B 83 1.040 -17.083 5.015 1.00 0.00 C ATOM 1344 O THR B 83 -0.064 -17.629 4.996 1.00 0.00 O ATOM 1345 CB THR B 83 1.900 -17.352 2.667 1.00 0.00 C ATOM 1346 OG1 THR B 83 0.710 -18.024 2.232 1.00 0.00 O ATOM 1347 CG2 THR B 83 2.924 -18.379 3.137 1.00 0.00 C ATOM 0 H THR B 83 3.632 -15.974 3.827 1.00 0.00 H new ATOM 0 HA THR B 83 0.814 -15.653 3.430 1.00 0.00 H new ATOM 0 HB THR B 83 2.319 -16.793 1.830 1.00 0.00 H new ATOM 0 HG1 THR B 83 0.123 -18.180 3.001 1.00 0.00 H new ATOM 0 HG21 THR B 83 3.136 -19.078 2.328 1.00 0.00 H new ATOM 0 HG22 THR B 83 3.843 -17.870 3.427 1.00 0.00 H new ATOM 0 HG23 THR B 83 2.526 -18.924 3.993 1.00 0.00 H new ATOM 1355 N VAL B 84 1.844 -17.101 6.069 1.00 0.00 N ATOM 1356 CA VAL B 84 1.452 -17.683 7.341 1.00 0.00 C ATOM 1357 C VAL B 84 1.791 -16.722 8.466 1.00 0.00 C ATOM 1358 O VAL B 84 2.587 -15.802 8.284 1.00 0.00 O ATOM 1359 CB VAL B 84 2.147 -19.037 7.606 1.00 0.00 C ATOM 1360 CG1 VAL B 84 1.604 -20.113 6.679 1.00 0.00 C ATOM 1361 CG2 VAL B 84 3.656 -18.909 7.457 1.00 0.00 C ATOM 0 H VAL B 84 2.787 -16.712 6.064 1.00 0.00 H new ATOM 0 HA VAL B 84 0.378 -17.862 7.299 1.00 0.00 H new ATOM 0 HB VAL B 84 1.931 -19.332 8.633 1.00 0.00 H new ATOM 0 HG11 VAL B 84 2.108 -21.058 6.884 1.00 0.00 H new ATOM 0 HG12 VAL B 84 0.533 -20.230 6.845 1.00 0.00 H new ATOM 0 HG13 VAL B 84 1.781 -19.824 5.643 1.00 0.00 H new ATOM 0 HG21 VAL B 84 4.124 -19.875 7.648 1.00 0.00 H new ATOM 0 HG22 VAL B 84 3.895 -18.584 6.444 1.00 0.00 H new ATOM 0 HG23 VAL B 84 4.031 -18.176 8.171 1.00 0.00 H new ATOM 1371 N ASN B 85 1.214 -16.953 9.631 1.00 0.00 N ATOM 1372 CA ASN B 85 1.383 -16.047 10.761 1.00 0.00 C ATOM 1373 C ASN B 85 2.637 -16.386 11.558 1.00 0.00 C ATOM 1374 O ASN B 85 2.751 -16.052 12.738 1.00 0.00 O ATOM 1375 CB ASN B 85 0.144 -16.083 11.664 1.00 0.00 C ATOM 1376 CG ASN B 85 -0.140 -17.463 12.229 1.00 0.00 C ATOM 1377 OD1 ASN B 85 0.299 -17.800 13.328 1.00 0.00 O ATOM 1378 ND2 ASN B 85 -0.874 -18.274 11.480 1.00 0.00 N ATOM 0 H ASN B 85 0.622 -17.761 9.823 1.00 0.00 H new ATOM 0 HA ASN B 85 1.501 -15.037 10.369 1.00 0.00 H new ATOM 0 HB2 ASN B 85 0.281 -15.381 12.487 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -0.722 -15.744 11.096 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -1.093 -19.214 11.810 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -1.220 -17.958 10.574 1.00 0.00 H new ATOM 1385 N ASP B 86 3.580 -17.041 10.898 1.00 0.00 N ATOM 1386 CA ASP B 86 4.853 -17.391 11.518 1.00 0.00 C ATOM 1387 C ASP B 86 5.978 -16.546 10.938 1.00 0.00 C ATOM 1388 O ASP B 86 6.785 -15.977 11.670 1.00 0.00 O ATOM 1389 CB ASP B 86 5.167 -18.873 11.313 1.00 0.00 C ATOM 1390 CG ASP B 86 6.545 -19.245 11.825 1.00 0.00 C ATOM 1391 OD1 ASP B 86 6.670 -19.613 13.011 1.00 0.00 O ATOM 1392 OD2 ASP B 86 7.513 -19.183 11.041 1.00 0.00 O1- ATOM 0 H ASP B 86 3.489 -17.343 9.928 1.00 0.00 H new ATOM 0 HA ASP B 86 4.771 -17.193 12.587 1.00 0.00 H new ATOM 0 HB2 ASP B 86 4.417 -19.475 11.825 1.00 0.00 H new ATOM 0 HB3 ASP B 86 5.099 -19.113 10.252 1.00 0.00 H new ATOM 1397 N GLY B 87 6.020 -16.466 9.617 1.00 0.00 N ATOM 1398 CA GLY B 87 7.060 -15.709 8.952 1.00 0.00 C ATOM 1399 C GLY B 87 8.038 -16.606 8.224 1.00 0.00 C ATOM 1400 O GLY B 87 8.520 -16.252 7.150 1.00 0.00 O ATOM 0 H GLY B 87 5.350 -16.913 8.991 1.00 0.00 H new ATOM 0 HA2 GLY B 87 6.607 -15.016 8.243 1.00 0.00 H new ATOM 0 HA3 GLY B 87 7.597 -15.108 9.686 1.00 0.00 H new ATOM 1404 N SER B 88 8.290 -17.780 8.808 1.00 0.00 N ATOM 1405 CA SER B 88 9.245 -18.766 8.294 1.00 0.00 C ATOM 1406 C SER B 88 10.600 -18.148 7.959 1.00 0.00 C ATOM 1407 O SER B 88 10.809 -17.581 6.885 1.00 0.00 O ATOM 1408 CB SER B 88 8.680 -19.526 7.093 1.00 0.00 C ATOM 1409 OG SER B 88 8.245 -18.653 6.064 1.00 0.00 O ATOM 0 H SER B 88 7.828 -18.078 9.667 1.00 0.00 H new ATOM 0 HA SER B 88 9.409 -19.481 9.100 1.00 0.00 H new ATOM 0 HB2 SER B 88 9.442 -20.198 6.699 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.845 -20.147 7.418 1.00 0.00 H new ATOM 0 HG SER B 88 8.633 -17.764 6.203 1.00 0.00 H new ATOM 1415 N SER B 89 11.530 -18.307 8.874 1.00 0.00 N ATOM 1416 CA SER B 89 12.840 -17.700 8.745 1.00 0.00 C ATOM 1417 C SER B 89 13.913 -18.775 8.596 1.00 0.00 C ATOM 1418 O SER B 89 14.289 -19.428 9.571 1.00 0.00 O ATOM 1419 CB SER B 89 13.126 -16.821 9.967 1.00 0.00 C ATOM 1420 OG SER B 89 14.295 -16.034 9.782 1.00 0.00 O ATOM 0 H SER B 89 11.403 -18.857 9.724 1.00 0.00 H new ATOM 0 HA SER B 89 12.856 -17.077 7.851 1.00 0.00 H new ATOM 0 HB2 SER B 89 12.273 -16.169 10.155 1.00 0.00 H new ATOM 0 HB3 SER B 89 13.246 -17.450 10.849 1.00 0.00 H new ATOM 0 HG SER B 89 14.448 -15.484 10.578 1.00 0.00 H new ATOM 1426 N GLY B 90 14.390 -18.965 7.372 1.00 0.00 N ATOM 1427 CA GLY B 90 15.434 -19.941 7.128 1.00 0.00 C ATOM 1428 C GLY B 90 15.665 -20.193 5.653 1.00 0.00 C ATOM 1429 O GLY B 90 16.758 -19.958 5.138 1.00 0.00 O ATOM 0 H GLY B 90 14.072 -18.461 6.544 1.00 0.00 H new ATOM 0 HA2 GLY B 90 16.362 -19.596 7.583 1.00 0.00 H new ATOM 0 HA3 GLY B 90 15.170 -20.879 7.616 1.00 0.00 H new ATOM 1433 N LYS B 91 14.633 -20.660 4.966 1.00 0.00 N ATOM 1434 CA LYS B 91 14.743 -20.976 3.548 1.00 0.00 C ATOM 1435 C LYS B 91 14.022 -19.926 2.700 1.00 0.00 C ATOM 1436 O LYS B 91 13.346 -20.256 1.725 1.00 0.00 O ATOM 1437 CB LYS B 91 14.201 -22.384 3.268 1.00 0.00 C ATOM 1438 CG LYS B 91 12.783 -22.623 3.762 1.00 0.00 C ATOM 1439 CD LYS B 91 12.333 -24.048 3.477 1.00 0.00 C ATOM 1440 CE LYS B 91 10.930 -24.311 3.999 1.00 0.00 C ATOM 1441 NZ LYS B 91 9.907 -23.498 3.292 1.00 0.00 N1+ ATOM 0 H LYS B 91 13.710 -20.829 5.366 1.00 0.00 H new ATOM 0 HA LYS B 91 15.797 -20.959 3.271 1.00 0.00 H new ATOM 0 HB2 LYS B 91 14.233 -22.565 2.194 1.00 0.00 H new ATOM 0 HB3 LYS B 91 14.863 -23.114 3.734 1.00 0.00 H new ATOM 0 HG2 LYS B 91 12.731 -22.430 4.834 1.00 0.00 H new ATOM 0 HG3 LYS B 91 12.104 -21.921 3.279 1.00 0.00 H new ATOM 0 HD2 LYS B 91 12.361 -24.230 2.403 1.00 0.00 H new ATOM 0 HD3 LYS B 91 13.030 -24.748 3.938 1.00 0.00 H new ATOM 0 HE2 LYS B 91 10.694 -25.369 3.884 1.00 0.00 H new ATOM 0 HE3 LYS B 91 10.894 -24.090 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 8.957 -23.806 3.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 10.035 -22.494 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 10.012 -23.624 2.265 1.00 0.00 H new ATOM 1455 N MET B 92 14.213 -18.662 3.090 1.00 0.00 N ATOM 1456 CA MET B 92 13.621 -17.484 2.438 1.00 0.00 C ATOM 1457 C MET B 92 12.090 -17.507 2.425 1.00 0.00 C ATOM 1458 O MET B 92 11.460 -18.564 2.503 1.00 0.00 O ATOM 1459 CB MET B 92 14.165 -17.301 1.024 1.00 0.00 C ATOM 1460 CG MET B 92 13.317 -17.939 -0.058 1.00 0.00 C ATOM 1461 SD MET B 92 13.935 -17.600 -1.713 1.00 0.00 S ATOM 1462 CE MET B 92 15.652 -18.048 -1.493 1.00 0.00 C ATOM 0 H MET B 92 14.799 -18.421 3.889 1.00 0.00 H new ATOM 0 HA MET B 92 13.917 -16.627 3.043 1.00 0.00 H new ATOM 0 HB2 MET B 92 14.255 -16.235 0.817 1.00 0.00 H new ATOM 0 HB3 MET B 92 15.170 -17.721 0.977 1.00 0.00 H new ATOM 0 HG2 MET B 92 13.284 -19.017 0.100 1.00 0.00 H new ATOM 0 HG3 MET B 92 12.293 -17.574 0.025 1.00 0.00 H new ATOM 0 HE1 MET B 92 16.081 -18.329 -2.455 1.00 0.00 H new ATOM 0 HE2 MET B 92 16.200 -17.199 -1.085 1.00 0.00 H new ATOM 0 HE3 MET B 92 15.723 -18.890 -0.804 1.00 0.00 H new ATOM 1472 N ASN B 93 11.503 -16.319 2.326 1.00 0.00 N ATOM 1473 CA ASN B 93 10.050 -16.170 2.261 1.00 0.00 C ATOM 1474 C ASN B 93 9.646 -14.706 2.154 1.00 0.00 C ATOM 1475 O ASN B 93 8.893 -14.325 1.262 1.00 0.00 O ATOM 1476 CB ASN B 93 9.364 -16.780 3.488 1.00 0.00 C ATOM 1477 CG ASN B 93 7.853 -16.597 3.456 1.00 0.00 C ATOM 1478 OD1 ASN B 93 7.209 -16.438 4.491 1.00 0.00 O ATOM 1479 ND2 ASN B 93 7.274 -16.628 2.268 1.00 0.00 N ATOM 0 H ASN B 93 12.015 -15.437 2.289 1.00 0.00 H new ATOM 0 HA ASN B 93 9.726 -16.703 1.367 1.00 0.00 H new ATOM 0 HB2 ASN B 93 9.598 -17.843 3.541 1.00 0.00 H new ATOM 0 HB3 ASN B 93 9.764 -16.320 4.391 1.00 0.00 H new ATOM 0 HD21 ASN B 93 6.263 -16.518 2.190 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.838 -16.762 1.429 1.00 0.00 H new ATOM 1486 N SER B 94 10.159 -13.894 3.059 1.00 0.00 N ATOM 1487 CA SER B 94 9.713 -12.519 3.201 1.00 0.00 C ATOM 1488 C SER B 94 9.872 -11.717 1.910 1.00 0.00 C ATOM 1489 O SER B 94 9.022 -10.889 1.578 1.00 0.00 O ATOM 1490 CB SER B 94 10.476 -11.864 4.344 1.00 0.00 C ATOM 1491 OG SER B 94 11.876 -12.029 4.179 1.00 0.00 O ATOM 0 H SER B 94 10.893 -14.166 3.714 1.00 0.00 H new ATOM 0 HA SER B 94 8.646 -12.529 3.425 1.00 0.00 H new ATOM 0 HB2 SER B 94 10.234 -10.802 4.387 1.00 0.00 H new ATOM 0 HB3 SER B 94 10.164 -12.301 5.292 1.00 0.00 H new ATOM 0 HG SER B 94 12.346 -11.599 4.924 1.00 0.00 H new ATOM 1497 N ASP B 95 10.937 -11.982 1.170 1.00 0.00 N ATOM 1498 CA ASP B 95 11.200 -11.245 -0.060 1.00 0.00 C ATOM 1499 C ASP B 95 10.384 -11.815 -1.217 1.00 0.00 C ATOM 1500 O ASP B 95 10.078 -11.112 -2.177 1.00 0.00 O ATOM 1501 CB ASP B 95 12.693 -11.265 -0.392 1.00 0.00 C ATOM 1502 CG ASP B 95 13.011 -10.586 -1.708 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.034 -9.337 -1.755 1.00 0.00 O1- ATOM 1504 OD2 ASP B 95 13.251 -11.304 -2.703 1.00 0.00 O ATOM 0 H ASP B 95 11.630 -12.696 1.395 1.00 0.00 H new ATOM 0 HA ASP B 95 10.897 -10.209 0.093 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.245 -10.772 0.408 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.039 -12.298 -0.429 1.00 0.00 H new ATOM 1509 N LEU B 96 10.011 -13.086 -1.122 1.00 0.00 N ATOM 1510 CA LEU B 96 9.161 -13.686 -2.142 1.00 0.00 C ATOM 1511 C LEU B 96 7.737 -13.179 -1.953 1.00 0.00 C ATOM 1512 O LEU B 96 6.987 -13.029 -2.915 1.00 0.00 O ATOM 1513 CB LEU B 96 9.242 -15.231 -2.115 1.00 0.00 C ATOM 1514 CG LEU B 96 8.346 -15.976 -1.117 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.929 -16.128 -1.653 1.00 0.00 C ATOM 1516 CD2 LEU B 96 8.935 -17.340 -0.809 1.00 0.00 C ATOM 0 H LEU B 96 10.279 -13.712 -0.362 1.00 0.00 H new ATOM 0 HA LEU B 96 9.512 -13.388 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.006 -15.596 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU B 96 10.276 -15.509 -1.910 1.00 0.00 H new ATOM 0 HG LEU B 96 8.298 -15.388 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU B 96 6.319 -16.660 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.501 -15.142 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.951 -16.691 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU B 96 8.293 -17.862 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU B 96 9.008 -17.921 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU B 96 9.928 -17.218 -0.377 1.00 0.00 H new ATOM 1528 N GLN B 97 7.387 -12.885 -0.702 1.00 0.00 N ATOM 1529 CA GLN B 97 6.098 -12.286 -0.384 1.00 0.00 C ATOM 1530 C GLN B 97 5.979 -10.922 -1.052 1.00 0.00 C ATOM 1531 O GLN B 97 4.886 -10.498 -1.424 1.00 0.00 O ATOM 1532 CB GLN B 97 5.923 -12.145 1.131 1.00 0.00 C ATOM 1533 CG GLN B 97 5.926 -13.472 1.879 1.00 0.00 C ATOM 1534 CD GLN B 97 4.727 -14.352 1.559 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.823 -15.579 1.581 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.585 -13.740 1.296 1.00 0.00 N ATOM 0 H GLN B 97 7.983 -13.054 0.109 1.00 0.00 H new ATOM 0 HA GLN B 97 5.312 -12.940 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.723 -11.517 1.522 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.985 -11.628 1.332 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.840 -14.015 1.637 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.947 -13.276 2.951 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.543 -12.721 1.286 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.746 -14.287 1.103 1.00 0.00 H new ATOM 1545 N LYS B 98 7.116 -10.240 -1.196 1.00 0.00 N ATOM 1546 CA LYS B 98 7.171 -8.986 -1.936 1.00 0.00 C ATOM 1547 C LYS B 98 6.586 -9.164 -3.329 1.00 0.00 C ATOM 1548 O LYS B 98 5.754 -8.377 -3.763 1.00 0.00 O ATOM 1549 CB LYS B 98 8.612 -8.480 -2.050 1.00 0.00 C ATOM 1550 CG LYS B 98 8.918 -7.271 -1.184 1.00 0.00 C ATOM 1551 CD LYS B 98 8.893 -7.599 0.297 1.00 0.00 C ATOM 1552 CE LYS B 98 9.102 -6.343 1.123 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.093 -6.613 2.583 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.011 -10.538 -0.808 1.00 0.00 H new ATOM 0 HA LYS B 98 6.582 -8.251 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.291 -9.288 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.815 -8.228 -3.091 1.00 0.00 H new ATOM 0 HG2 LYS B 98 9.899 -6.876 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.191 -6.485 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS B 98 7.940 -8.058 0.558 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.671 -8.327 0.528 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.052 -5.885 0.848 1.00 0.00 H new ATOM 0 HE3 LYS B 98 8.320 -5.622 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 8.950 -5.722 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 8.321 -7.273 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.002 -7.034 2.864 1.00 0.00 H new ATOM 1567 N GLU B 99 7.008 -10.224 -4.010 1.00 0.00 N ATOM 1568 CA GLU B 99 6.563 -10.489 -5.371 1.00 0.00 C ATOM 1569 C GLU B 99 5.047 -10.633 -5.422 1.00 0.00 C ATOM 1570 O GLU B 99 4.380 -9.994 -6.236 1.00 0.00 O ATOM 1571 CB GLU B 99 7.208 -11.766 -5.899 1.00 0.00 C ATOM 1572 CG GLU B 99 7.101 -11.923 -7.403 1.00 0.00 C ATOM 1573 CD GLU B 99 7.625 -13.258 -7.881 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.825 -13.537 -7.676 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.838 -14.033 -8.465 1.00 0.00 O1- ATOM 0 H GLU B 99 7.660 -10.915 -3.639 1.00 0.00 H new ATOM 0 HA GLU B 99 6.862 -9.646 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.260 -11.776 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.740 -12.625 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.059 -11.816 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU B 99 7.657 -11.122 -7.890 1.00 0.00 H new ATOM 1582 N LEU B 100 4.507 -11.466 -4.539 1.00 0.00 N ATOM 1583 CA LEU B 100 3.068 -11.704 -4.493 1.00 0.00 C ATOM 1584 C LEU B 100 2.321 -10.411 -4.178 1.00 0.00 C ATOM 1585 O LEU B 100 1.220 -10.180 -4.674 1.00 0.00 O ATOM 1586 CB LEU B 100 2.718 -12.780 -3.454 1.00 0.00 C ATOM 1587 CG LEU B 100 2.982 -14.239 -3.869 1.00 0.00 C ATOM 1588 CD1 LEU B 100 2.227 -14.584 -5.143 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.467 -14.505 -4.047 1.00 0.00 C ATOM 0 H LEU B 100 5.043 -11.988 -3.846 1.00 0.00 H new ATOM 0 HA LEU B 100 2.758 -12.061 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.284 -12.575 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.662 -12.682 -3.202 1.00 0.00 H new ATOM 0 HG LEU B 100 2.619 -14.879 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU B 100 2.429 -15.620 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU B 100 1.157 -14.454 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.553 -13.926 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.618 -15.544 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.864 -13.848 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.986 -14.314 -3.108 1.00 0.00 H new ATOM 1601 N ALA B 101 2.937 -9.564 -3.363 1.00 0.00 N ATOM 1602 CA ALA B 101 2.362 -8.270 -3.036 1.00 0.00 C ATOM 1603 C ALA B 101 2.371 -7.356 -4.260 1.00 0.00 C ATOM 1604 O ALA B 101 1.380 -6.690 -4.553 1.00 0.00 O ATOM 1605 CB ALA B 101 3.109 -7.633 -1.871 1.00 0.00 C ATOM 0 H ALA B 101 3.835 -9.752 -2.917 1.00 0.00 H new ATOM 0 HA ALA B 101 1.326 -8.416 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.665 -6.665 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.041 -8.281 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.156 -7.497 -2.141 1.00 0.00 H new ATOM 1611 N VAL B 102 3.488 -7.352 -4.989 1.00 0.00 N ATOM 1612 CA VAL B 102 3.603 -6.569 -6.219 1.00 0.00 C ATOM 1613 C VAL B 102 2.548 -7.009 -7.227 1.00 0.00 C ATOM 1614 O VAL B 102 1.959 -6.184 -7.928 1.00 0.00 O ATOM 1615 CB VAL B 102 5.003 -6.706 -6.862 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.092 -5.914 -8.159 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.085 -6.254 -5.900 1.00 0.00 C ATOM 0 H VAL B 102 4.325 -7.882 -4.749 1.00 0.00 H new ATOM 0 HA VAL B 102 3.449 -5.524 -5.949 1.00 0.00 H new ATOM 0 HB VAL B 102 5.158 -7.760 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.087 -6.029 -8.588 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.348 -6.285 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.905 -4.860 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.061 -6.359 -6.374 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.922 -5.210 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.051 -6.868 -5.000 1.00 0.00 H new ATOM 1627 N ASN B 103 2.299 -8.315 -7.271 1.00 0.00 N ATOM 1628 CA ASN B 103 1.297 -8.887 -8.168 1.00 0.00 C ATOM 1629 C ASN B 103 -0.070 -8.252 -7.940 1.00 0.00 C ATOM 1630 O ASN B 103 -0.866 -8.118 -8.871 1.00 0.00 O ATOM 1631 CB ASN B 103 1.206 -10.403 -7.978 1.00 0.00 C ATOM 1632 CG ASN B 103 2.198 -11.171 -8.833 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.891 -11.561 -9.961 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.391 -11.394 -8.311 1.00 0.00 N ATOM 0 H ASN B 103 2.781 -9.002 -6.692 1.00 0.00 H new ATOM 0 HA ASN B 103 1.609 -8.677 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.378 -10.643 -6.929 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.196 -10.733 -8.219 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.094 -11.904 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.609 -11.056 -7.374 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.330 -7.841 -6.705 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.577 -7.178 -6.372 1.00 0.00 C ATOM 1643 C TYR B 104 -1.579 -5.750 -6.892 1.00 0.00 C ATOM 1644 O TYR B 104 -2.511 -5.341 -7.577 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.820 -7.199 -4.863 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.581 -8.417 -4.389 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.216 -9.695 -4.794 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.671 -8.286 -3.537 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.915 -10.806 -4.364 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.374 -9.393 -3.103 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.993 -10.649 -3.518 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.691 -11.754 -3.088 1.00 0.00 O ATOM 0 H TYR B 104 0.309 -7.957 -5.919 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.389 -7.723 -6.854 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.860 -7.158 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.372 -6.303 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.372 -9.822 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.973 -7.303 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.619 -11.793 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.219 -9.274 -2.441 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.420 -11.471 -2.497 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.522 -4.999 -6.606 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.446 -3.606 -7.048 1.00 0.00 C ATOM 1664 C LEU B 105 -0.447 -3.517 -8.571 1.00 0.00 C ATOM 1665 O LEU B 105 -0.865 -2.512 -9.144 1.00 0.00 O ATOM 1666 CB LEU B 105 0.789 -2.891 -6.488 1.00 0.00 C ATOM 1667 CG LEU B 105 0.719 -2.489 -5.009 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.586 -1.770 -4.702 1.00 0.00 C ATOM 1669 CD2 LEU B 105 0.885 -3.698 -4.108 1.00 0.00 C ATOM 0 H LEU B 105 0.287 -5.323 -6.076 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.332 -3.104 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.654 -3.539 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU B 105 0.965 -1.993 -7.080 1.00 0.00 H new ATOM 0 HG LEU B 105 1.542 -1.802 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.611 -1.496 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.658 -0.870 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.425 -2.428 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.831 -3.385 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.091 -4.416 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.852 -4.163 -4.298 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.001 -4.582 -9.222 1.00 0.00 N ATOM 1682 CA ASN B 106 0.001 -4.640 -10.679 1.00 0.00 C ATOM 1683 C ASN B 106 -1.419 -4.731 -11.232 1.00 0.00 C ATOM 1684 O ASN B 106 -1.640 -4.528 -12.425 1.00 0.00 O ATOM 1685 CB ASN B 106 0.839 -5.815 -11.186 1.00 0.00 C ATOM 1686 CG ASN B 106 2.328 -5.580 -11.024 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.791 -4.439 -11.010 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.089 -6.655 -10.922 1.00 0.00 N ATOM 0 H ASN B 106 0.364 -5.418 -8.766 1.00 0.00 H new ATOM 0 HA ASN B 106 0.452 -3.715 -11.038 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.556 -6.718 -10.646 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.615 -5.990 -12.238 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.100 -6.557 -10.827 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.666 -7.583 -10.938 1.00 0.00 H new ATOM 1695 N THR B 107 -2.382 -5.037 -10.368 1.00 0.00 N ATOM 1696 CA THR B 107 -3.780 -5.058 -10.775 1.00 0.00 C ATOM 1697 C THR B 107 -4.490 -3.810 -10.258 1.00 0.00 C ATOM 1698 O THR B 107 -5.667 -3.581 -10.546 1.00 0.00 O ATOM 1699 CB THR B 107 -4.515 -6.326 -10.281 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.499 -6.399 -8.848 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.882 -7.582 -10.861 1.00 0.00 C ATOM 0 H THR B 107 -2.220 -5.272 -9.389 1.00 0.00 H new ATOM 0 HA THR B 107 -3.803 -5.072 -11.865 1.00 0.00 H new ATOM 0 HB THR B 107 -5.548 -6.261 -10.622 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.692 -5.961 -8.507 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.417 -8.460 -10.498 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.936 -7.548 -11.949 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.838 -7.640 -10.552 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.747 -3.006 -9.500 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.273 -1.783 -8.906 1.00 0.00 C ATOM 1711 C LEU B 108 -3.825 -0.560 -9.692 1.00 0.00 C ATOM 1712 O LEU B 108 -4.389 0.527 -9.544 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.805 -1.642 -7.459 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.733 -2.219 -6.390 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -6.099 -1.556 -6.452 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -4.864 -3.723 -6.535 1.00 0.00 C ATOM 0 H LEU B 108 -2.767 -3.185 -9.282 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.361 -1.848 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.832 -2.125 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -3.657 -0.583 -7.249 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.292 -2.011 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -6.745 -1.981 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -5.991 -0.484 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -6.542 -1.727 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.530 -4.106 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -5.274 -3.960 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -3.882 -4.185 -6.431 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.803 -0.743 -10.510 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.283 0.328 -11.344 1.00 0.00 C ATOM 1730 C ARG B 109 -3.252 0.639 -12.478 1.00 0.00 C ATOM 1731 O ARG B 109 -4.115 -0.177 -12.806 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.917 -0.063 -11.911 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.935 -1.358 -12.706 1.00 0.00 C ATOM 1734 CD ARG B 109 0.446 -1.714 -13.228 1.00 0.00 C ATOM 1735 NE ARG B 109 0.480 -3.063 -13.788 1.00 0.00 N ATOM 1736 CZ ARG B 109 1.597 -3.685 -14.163 1.00 0.00 C ATOM 1737 NH1 ARG B 109 2.762 -3.052 -14.120 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 1.543 -4.937 -14.601 1.00 0.00 N ATOM 0 H ARG B 109 -2.313 -1.631 -10.615 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.169 1.222 -10.730 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.555 0.741 -12.551 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.207 -0.161 -11.090 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -1.306 -2.167 -12.076 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -1.627 -1.262 -13.543 1.00 0.00 H new ATOM 0 HD2 ARG B 109 0.743 -0.995 -13.992 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.172 -1.637 -12.419 1.00 0.00 H new ATOM 0 HE ARG B 109 -0.405 -3.558 -13.899 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.805 -2.085 -13.799 1.00 0.00 H new ATOM 0 HH12 ARG B 109 3.614 -3.532 -14.408 1.00 0.00 H new ATOM 0 HH21 ARG B 109 0.647 -5.422 -14.650 1.00 0.00 H new ATOM 0 HH22 ARG B 109 2.398 -5.414 -14.888 1.00 0.00 H new ATOM 1752 N TYR B 110 -3.103 1.822 -13.061 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.947 2.257 -14.165 1.00 0.00 C ATOM 1754 C TYR B 110 -3.935 1.219 -15.282 1.00 0.00 C ATOM 1755 O TYR B 110 -2.902 0.986 -15.915 1.00 0.00 O ATOM 1756 CB TYR B 110 -3.464 3.616 -14.687 1.00 0.00 C ATOM 1757 CG TYR B 110 -4.374 4.243 -15.719 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -5.477 4.993 -15.332 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -4.130 4.087 -17.079 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -6.312 5.567 -16.269 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -4.962 4.658 -18.021 1.00 0.00 C ATOM 1762 CZ TYR B 110 -6.052 5.397 -17.612 1.00 0.00 C ATOM 1763 OH TYR B 110 -6.886 5.962 -18.549 1.00 0.00 O ATOM 0 H TYR B 110 -2.397 2.504 -12.783 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.971 2.363 -13.808 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.362 4.301 -13.845 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.471 3.494 -15.120 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.685 5.129 -14.281 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -3.276 3.510 -17.403 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -7.166 6.147 -15.951 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -4.760 4.527 -19.074 1.00 0.00 H new ATOM 0 HH TYR B 110 -6.561 5.748 -19.448 1.00 0.00 H new ATOM 1773 N GLY B 111 -5.083 0.598 -15.509 1.00 0.00 N ATOM 1774 CA GLY B 111 -5.171 -0.464 -16.489 1.00 0.00 C ATOM 1775 C GLY B 111 -5.284 -1.834 -15.850 1.00 0.00 C ATOM 1776 O GLY B 111 -4.945 -2.849 -16.465 1.00 0.00 O ATOM 0 H GLY B 111 -5.958 0.812 -15.030 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -6.036 -0.293 -17.129 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -4.290 -0.437 -17.130 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.744 -1.869 -14.608 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.922 -3.127 -13.923 1.00 0.00 C ATOM 1782 C GLY B 112 -7.354 -3.610 -13.984 1.00 0.00 C ATOM 1783 O GLY B 112 -8.109 -3.225 -14.877 1.00 0.00 O ATOM 0 H GLY B 112 -5.997 -1.045 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -5.268 -3.877 -14.367 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.621 -3.018 -12.881 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.729 -4.437 -13.026 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.063 -5.025 -12.996 1.00 0.00 C ATOM 1789 C ILE B 113 -9.910 -4.414 -11.888 1.00 0.00 C ATOM 1790 O ILE B 113 -11.075 -4.081 -12.093 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.996 -6.556 -12.821 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.044 -6.925 -11.677 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.560 -7.208 -14.122 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.966 -8.408 -11.392 1.00 0.00 C ATOM 0 H ILE B 113 -7.128 -4.720 -12.252 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.533 -4.805 -13.955 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.988 -6.927 -12.564 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.046 -6.559 -11.917 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.364 -6.408 -10.772 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.515 -8.289 -13.990 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.277 -6.968 -14.907 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.575 -6.836 -14.403 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.272 -8.585 -10.570 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.954 -8.778 -11.119 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.616 -8.932 -12.282 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.314 -4.267 -10.716 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.977 -3.627 -9.590 1.00 0.00 C ATOM 1808 C HIS B 114 -9.171 -2.409 -9.190 1.00 0.00 C ATOM 1809 O HIS B 114 -9.061 -2.071 -8.011 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.093 -4.582 -8.398 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.733 -5.896 -8.725 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.191 -7.106 -8.354 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.883 -6.188 -9.377 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.978 -8.083 -8.759 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.014 -7.553 -9.380 1.00 0.00 N ATOM 0 H HIS B 114 -8.365 -4.585 -10.518 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.986 -3.341 -9.887 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.097 -4.766 -7.996 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.670 -4.095 -7.611 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.570 -5.478 -9.814 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.804 -9.138 -8.608 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.787 -8.074 -9.795 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.594 -1.767 -10.195 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.657 -0.687 -9.971 1.00 0.00 C ATOM 1826 C TYR B 115 -8.376 0.569 -9.515 1.00 0.00 C ATOM 1827 O TYR B 115 -9.542 0.793 -9.846 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.828 -0.428 -11.233 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.390 0.612 -12.170 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -8.363 0.291 -13.105 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -6.927 1.919 -12.124 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -8.858 1.247 -13.970 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.419 2.879 -12.978 1.00 0.00 C ATOM 1834 CZ TYR B 115 -8.383 2.540 -13.901 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.863 3.494 -14.766 1.00 0.00 O ATOM 0 H TYR B 115 -8.763 -1.980 -11.178 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.975 -0.982 -9.174 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.826 -0.120 -10.933 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.723 -1.366 -11.778 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -8.739 -0.720 -13.157 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -6.167 2.188 -11.405 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -9.613 0.984 -14.696 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -7.051 3.893 -12.925 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.116 4.023 -15.117 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.674 1.378 -8.745 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.243 2.590 -8.190 1.00 0.00 C ATOM 1847 C ASN B 116 -7.474 3.802 -8.677 1.00 0.00 C ATOM 1848 O ASN B 116 -6.241 3.796 -8.726 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.209 2.548 -6.662 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.121 1.491 -6.065 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -8.835 0.942 -5.000 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.228 1.208 -6.733 1.00 0.00 N ATOM 0 H ASN B 116 -6.700 1.215 -8.488 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.279 2.662 -8.522 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.186 2.361 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.495 3.525 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.880 0.513 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.429 1.685 -7.612 1.00 0.00 H new ATOM 1859 N GLU B 117 -8.218 4.842 -9.029 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.640 6.096 -9.494 1.00 0.00 C ATOM 1861 C GLU B 117 -6.736 6.699 -8.424 1.00 0.00 C ATOM 1862 O GLU B 117 -5.783 7.417 -8.730 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.756 7.081 -9.855 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.664 7.418 -8.682 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.817 8.317 -9.063 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.567 9.439 -9.550 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -11.981 7.911 -8.862 1.00 0.00 O1- ATOM 0 H GLU B 117 -9.238 4.840 -9.000 1.00 0.00 H new ATOM 0 HA GLU B 117 -7.039 5.895 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.311 8.000 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -9.357 6.659 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -10.057 6.494 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -9.076 7.902 -7.903 1.00 0.00 H new ATOM 1874 N ALA B 118 -7.042 6.388 -7.167 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.280 6.896 -6.040 1.00 0.00 C ATOM 1876 C ALA B 118 -5.021 6.069 -5.806 1.00 0.00 C ATOM 1877 O ALA B 118 -4.001 6.597 -5.380 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.147 6.906 -4.789 1.00 0.00 C ATOM 0 H ALA B 118 -7.820 5.781 -6.907 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.971 7.916 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.568 7.288 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -8.015 7.545 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.480 5.892 -4.569 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.089 4.773 -6.100 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.956 3.878 -5.871 1.00 0.00 C ATOM 1886 C ILE B 119 -2.830 4.169 -6.860 1.00 0.00 C ATOM 1887 O ILE B 119 -1.650 4.121 -6.504 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.373 2.390 -5.959 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.364 2.049 -4.841 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.152 1.477 -5.880 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.748 2.056 -3.463 1.00 0.00 C ATOM 0 H ILE B 119 -5.913 4.320 -6.496 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.596 4.064 -4.859 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.858 2.228 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.186 2.764 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.791 1.065 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.471 0.437 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.476 1.701 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.636 1.641 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.508 1.806 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.944 1.321 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.346 3.046 -3.249 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.197 4.485 -8.096 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.215 4.885 -9.090 1.00 0.00 C ATOM 1905 C GLU B 120 -1.487 6.145 -8.625 1.00 0.00 C ATOM 1906 O GLU B 120 -0.261 6.218 -8.673 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.893 5.115 -10.442 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.932 5.501 -11.557 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.830 4.482 -11.770 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -1.143 3.297 -12.015 1.00 0.00 O ATOM 1911 OE2 GLU B 120 0.361 4.867 -11.722 1.00 0.00 O1- ATOM 0 H GLU B 120 -4.161 4.472 -8.430 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.482 4.087 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.423 4.207 -10.731 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.641 5.900 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.491 5.622 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.485 6.468 -11.325 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.246 7.122 -8.138 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.658 8.345 -7.602 1.00 0.00 C ATOM 1920 C GLU B 121 -0.809 8.026 -6.378 1.00 0.00 C ATOM 1921 O GLU B 121 0.283 8.572 -6.209 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.748 9.351 -7.224 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.617 9.782 -8.391 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.829 10.466 -9.489 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -2.584 11.688 -9.378 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -2.464 9.793 -10.474 1.00 0.00 O ATOM 0 H GLU B 121 -3.265 7.091 -8.103 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.028 8.786 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.382 8.913 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.279 10.233 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -4.123 8.909 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.392 10.459 -8.031 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.325 7.130 -5.541 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.640 6.688 -4.330 1.00 0.00 C ATOM 1935 C PHE B 122 0.790 6.264 -4.629 1.00 0.00 C ATOM 1936 O PHE B 122 1.736 6.801 -4.053 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.409 5.525 -3.688 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.731 4.916 -2.488 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.895 5.466 -1.227 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.070 3.791 -2.624 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.273 4.907 -0.127 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.694 3.230 -1.527 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.522 3.788 -0.276 1.00 0.00 C ATOM 0 H PHE B 122 -2.233 6.689 -5.684 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.605 7.527 -3.635 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.396 5.878 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.560 4.748 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.516 6.341 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.207 3.349 -3.600 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.409 5.346 0.850 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.316 2.355 -1.648 1.00 0.00 H new ATOM 0 HZ PHE B 122 1.008 3.351 0.584 1.00 0.00 H new ATOM 1953 N CYS B 123 0.945 5.310 -5.541 1.00 0.00 N ATOM 1954 CA CYS B 123 2.262 4.781 -5.849 1.00 0.00 C ATOM 1955 C CYS B 123 3.155 5.859 -6.457 1.00 0.00 C ATOM 1956 O CYS B 123 4.337 5.935 -6.134 1.00 0.00 O ATOM 1957 CB CYS B 123 2.169 3.557 -6.774 1.00 0.00 C ATOM 1958 SG CYS B 123 1.481 3.875 -8.416 1.00 0.00 S ATOM 0 H CYS B 123 0.181 4.893 -6.073 1.00 0.00 H new ATOM 0 HA CYS B 123 2.716 4.455 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS B 123 3.167 3.136 -6.892 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.559 2.798 -6.284 1.00 0.00 H new ATOM 0 HG CYS B 123 0.502 4.724 -8.319 1.00 0.00 H new ATOM 1964 N GLN B 124 2.575 6.718 -7.292 1.00 0.00 N ATOM 1965 CA GLN B 124 3.345 7.750 -7.983 1.00 0.00 C ATOM 1966 C GLN B 124 3.914 8.770 -7.008 1.00 0.00 C ATOM 1967 O GLN B 124 5.119 9.024 -7.006 1.00 0.00 O ATOM 1968 CB GLN B 124 2.494 8.466 -9.031 1.00 0.00 C ATOM 1969 CG GLN B 124 2.052 7.569 -10.173 1.00 0.00 C ATOM 1970 CD GLN B 124 3.213 6.890 -10.874 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.327 7.421 -10.934 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.956 5.711 -11.410 1.00 0.00 N ATOM 0 H GLN B 124 1.578 6.720 -7.506 1.00 0.00 H new ATOM 0 HA GLN B 124 4.173 7.246 -8.482 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.612 8.884 -8.546 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.061 9.303 -9.437 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.372 6.809 -9.789 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.493 8.161 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.021 5.310 -11.336 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.693 5.201 -11.898 1.00 0.00 H new ATOM 1981 N ILE B 125 3.046 9.346 -6.184 1.00 0.00 N ATOM 1982 CA ILE B 125 3.453 10.361 -5.218 1.00 0.00 C ATOM 1983 C ILE B 125 4.450 9.781 -4.220 1.00 0.00 C ATOM 1984 O ILE B 125 5.414 10.436 -3.824 1.00 0.00 O ATOM 1985 CB ILE B 125 2.227 10.918 -4.458 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.203 11.478 -5.450 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.649 11.993 -3.463 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.132 11.814 -4.823 1.00 0.00 C ATOM 0 H ILE B 125 2.050 9.126 -6.166 1.00 0.00 H new ATOM 0 HA ILE B 125 3.928 11.174 -5.767 1.00 0.00 H new ATOM 0 HB ILE B 125 1.767 10.103 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.613 12.376 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.047 10.751 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.770 12.370 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.346 11.567 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.133 12.812 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.805 12.205 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.565 10.915 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE B 125 0.010 12.565 -4.046 1.00 0.00 H new ATOM 2000 N LEU B 126 4.216 8.534 -3.843 1.00 0.00 N ATOM 2001 CA LEU B 126 5.048 7.851 -2.868 1.00 0.00 C ATOM 2002 C LEU B 126 6.445 7.612 -3.421 1.00 0.00 C ATOM 2003 O LEU B 126 7.439 8.145 -2.919 1.00 0.00 O ATOM 2004 CB LEU B 126 4.420 6.496 -2.552 1.00 0.00 C ATOM 2005 CG LEU B 126 4.685 5.927 -1.175 1.00 0.00 C ATOM 2006 CD1 LEU B 126 4.228 4.483 -1.117 1.00 0.00 C ATOM 2007 CD2 LEU B 126 6.138 6.049 -0.763 1.00 0.00 C ATOM 0 H LEU B 126 3.447 7.969 -4.203 1.00 0.00 H new ATOM 0 HA LEU B 126 5.119 8.471 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.341 6.583 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.774 5.777 -3.291 1.00 0.00 H new ATOM 0 HG LEU B 126 4.111 6.518 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.422 4.080 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU B 126 3.160 4.431 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.773 3.899 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.271 5.625 0.232 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.764 5.509 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.426 7.100 -0.751 1.00 0.00 H new ATOM 2019 N LEU B 127 6.492 6.817 -4.476 1.00 0.00 N ATOM 2020 CA LEU B 127 7.759 6.354 -5.036 1.00 0.00 C ATOM 2021 C LEU B 127 8.597 7.528 -5.523 1.00 0.00 C ATOM 2022 O LEU B 127 9.828 7.452 -5.565 1.00 0.00 O ATOM 2023 CB LEU B 127 7.527 5.344 -6.181 1.00 0.00 C ATOM 2024 CG LEU B 127 7.094 5.924 -7.538 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.302 6.350 -8.360 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.261 4.912 -8.314 1.00 0.00 C ATOM 0 H LEU B 127 5.666 6.475 -4.967 1.00 0.00 H new ATOM 0 HA LEU B 127 8.306 5.846 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.449 4.781 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.768 4.632 -5.858 1.00 0.00 H new ATOM 0 HG LEU B 127 6.483 6.805 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.968 6.756 -9.315 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.861 7.112 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.944 5.487 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.965 5.342 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.851 4.012 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.370 4.657 -7.740 1.00 0.00 H new ATOM 2038 N ASP B 128 7.913 8.603 -5.893 1.00 0.00 N ATOM 2039 CA ASP B 128 8.559 9.822 -6.364 1.00 0.00 C ATOM 2040 C ASP B 128 9.595 10.292 -5.357 1.00 0.00 C ATOM 2041 O ASP B 128 10.737 10.595 -5.705 1.00 0.00 O ATOM 2042 CB ASP B 128 7.509 10.916 -6.557 1.00 0.00 C ATOM 2043 CG ASP B 128 8.054 12.151 -7.250 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.799 12.923 -6.612 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 7.727 12.366 -8.433 1.00 0.00 O ATOM 0 H ASP B 128 6.894 8.655 -5.875 1.00 0.00 H new ATOM 0 HA ASP B 128 9.054 9.614 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.680 10.516 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.107 11.200 -5.585 1.00 0.00 H new ATOM 2050 N LYS B 129 9.188 10.310 -4.100 1.00 0.00 N ATOM 2051 CA LYS B 129 10.028 10.825 -3.037 1.00 0.00 C ATOM 2052 C LYS B 129 10.992 9.752 -2.539 1.00 0.00 C ATOM 2053 O LYS B 129 12.039 10.064 -1.976 1.00 0.00 O ATOM 2054 CB LYS B 129 9.159 11.348 -1.891 1.00 0.00 C ATOM 2055 CG LYS B 129 8.013 12.242 -2.352 1.00 0.00 C ATOM 2056 CD LYS B 129 8.491 13.323 -3.307 1.00 0.00 C ATOM 2057 CE LYS B 129 7.326 14.053 -3.951 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.763 14.863 -5.117 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.277 9.972 -3.791 1.00 0.00 H new ATOM 0 HA LYS B 129 10.622 11.650 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.749 10.501 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.787 11.906 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.252 11.634 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.542 12.705 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.115 14.036 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.114 12.876 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.575 13.330 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.851 14.701 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.941 15.081 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 8.193 15.749 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.461 14.327 -5.670 1.00 0.00 H new ATOM 2072 N LEU B 130 10.639 8.490 -2.764 1.00 0.00 N ATOM 2073 CA LEU B 130 11.516 7.374 -2.412 1.00 0.00 C ATOM 2074 C LEU B 130 12.713 7.324 -3.352 1.00 0.00 C ATOM 2075 O LEU B 130 13.802 6.901 -2.976 1.00 0.00 O ATOM 2076 CB LEU B 130 10.761 6.048 -2.465 1.00 0.00 C ATOM 2077 CG LEU B 130 9.680 5.868 -1.402 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.945 4.560 -1.617 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.284 5.906 -0.005 1.00 0.00 C ATOM 0 H LEU B 130 9.754 8.213 -3.188 1.00 0.00 H new ATOM 0 HA LEU B 130 11.868 7.532 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU B 130 10.300 5.951 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.481 5.235 -2.368 1.00 0.00 H new ATOM 0 HG LEU B 130 8.971 6.691 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.177 4.444 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.479 4.562 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.650 3.731 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.495 5.776 0.736 1.00 0.00 H new ATOM 0 HD22 LEU B 130 11.014 5.103 0.098 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.775 6.866 0.153 1.00 0.00 H new ATOM 2091 N ASN B 131 12.506 7.764 -4.581 1.00 0.00 N ATOM 2092 CA ASN B 131 13.599 7.865 -5.533 1.00 0.00 C ATOM 2093 C ASN B 131 14.433 9.096 -5.241 1.00 0.00 C ATOM 2094 O ASN B 131 15.622 9.147 -5.547 1.00 0.00 O ATOM 2095 CB ASN B 131 13.074 7.907 -6.969 1.00 0.00 C ATOM 2096 CG ASN B 131 12.917 6.526 -7.571 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.843 6.002 -8.193 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.753 5.924 -7.390 1.00 0.00 N ATOM 0 H ASN B 131 11.598 8.055 -4.942 1.00 0.00 H new ATOM 0 HA ASN B 131 14.226 6.979 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.112 8.418 -6.985 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.757 8.493 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.596 4.991 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN B 131 11.012 6.393 -6.869 1.00 0.00 H new ATOM 2105 N ALA B 132 13.801 10.065 -4.605 1.00 0.00 N ATOM 2106 CA ALA B 132 14.432 11.346 -4.325 1.00 0.00 C ATOM 2107 C ALA B 132 15.134 11.363 -2.967 1.00 0.00 C ATOM 2108 O ALA B 132 15.501 12.427 -2.469 1.00 0.00 O ATOM 2109 CB ALA B 132 13.395 12.455 -4.395 1.00 0.00 C ATOM 0 H ALA B 132 12.841 9.989 -4.269 1.00 0.00 H new ATOM 0 HA ALA B 132 15.198 11.509 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.872 13.413 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.955 12.480 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.613 12.269 -3.658 1.00 0.00 H new ATOM 2115 N VAL B 133 15.321 10.198 -2.362 1.00 0.00 N ATOM 2116 CA VAL B 133 16.018 10.126 -1.083 1.00 0.00 C ATOM 2117 C VAL B 133 17.348 9.394 -1.219 1.00 0.00 C ATOM 2118 O VAL B 133 18.315 9.710 -0.520 1.00 0.00 O ATOM 2119 CB VAL B 133 15.160 9.452 0.015 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.741 8.052 -0.394 1.00 0.00 C ATOM 2121 CG2 VAL B 133 15.913 9.416 1.334 1.00 0.00 C ATOM 0 H VAL B 133 15.005 9.300 -2.729 1.00 0.00 H new ATOM 0 HA VAL B 133 16.208 11.155 -0.778 1.00 0.00 H new ATOM 0 HB VAL B 133 14.257 10.048 0.144 1.00 0.00 H new ATOM 0 HG11 VAL B 133 14.140 7.606 0.398 1.00 0.00 H new ATOM 0 HG12 VAL B 133 14.154 8.101 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.628 7.442 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL B 133 15.294 8.939 2.094 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.836 8.850 1.210 1.00 0.00 H new ATOM 0 HG23 VAL B 133 16.150 10.433 1.646 1.00 0.00 H new ATOM 2131 N LYS B 134 17.405 8.428 -2.127 1.00 0.00 N ATOM 2132 CA LYS B 134 18.620 7.659 -2.318 1.00 0.00 C ATOM 2133 C LYS B 134 19.678 8.485 -3.035 1.00 0.00 C ATOM 2134 O LYS B 134 19.431 9.034 -4.110 1.00 0.00 O ATOM 2135 CB LYS B 134 18.347 6.363 -3.062 1.00 0.00 C ATOM 2136 CG LYS B 134 17.623 6.537 -4.369 1.00 0.00 C ATOM 2137 CD LYS B 134 17.452 5.197 -5.039 1.00 0.00 C ATOM 2138 CE LYS B 134 16.280 5.218 -5.986 1.00 0.00 C ATOM 2139 NZ LYS B 134 16.516 6.095 -7.165 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.630 8.163 -2.735 1.00 0.00 H new ATOM 0 HA LYS B 134 19.003 7.398 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS B 134 19.295 5.860 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS B 134 17.760 5.707 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS B 134 16.649 6.995 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS B 134 18.182 7.210 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS B 134 18.360 4.939 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS B 134 17.302 4.425 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS B 134 16.074 4.203 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS B 134 15.393 5.561 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 15.637 6.183 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 16.819 7.036 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 17.258 5.679 -7.764 1.00 0.00 H new ATOM 2153 N LYS B 135 20.838 8.604 -2.413 1.00 0.00 N ATOM 2154 CA LYS B 135 21.946 9.352 -2.989 1.00 0.00 C ATOM 2155 C LYS B 135 22.591 8.561 -4.120 1.00 0.00 C ATOM 2156 O LYS B 135 23.407 7.665 -3.831 1.00 0.00 O ATOM 2157 CB LYS B 135 22.996 9.689 -1.921 1.00 0.00 C ATOM 2158 CG LYS B 135 22.520 10.667 -0.855 1.00 0.00 C ATOM 2159 CD LYS B 135 21.524 10.035 0.102 1.00 0.00 C ATOM 2160 CE LYS B 135 21.036 11.028 1.140 1.00 0.00 C ATOM 2161 NZ LYS B 135 19.940 10.463 1.968 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 22.271 8.830 -5.296 1.00 0.00 O ATOM 0 H LYS B 135 21.039 8.190 -1.503 1.00 0.00 H new ATOM 0 HA LYS B 135 21.549 10.285 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS B 135 23.311 8.766 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS B 135 23.875 10.106 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS B 135 23.378 11.034 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS B 135 22.061 11.531 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS B 135 20.674 9.649 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS B 135 21.988 9.185 0.602 1.00 0.00 H new ATOM 0 HE2 LYS B 135 21.866 11.319 1.784 1.00 0.00 H new ATOM 0 HE3 LYS B 135 20.687 11.933 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 19.552 11.206 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 19.188 10.100 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 20.311 9.687 2.552 1.00 0.00 H new TER 2176 LYS B 135