USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD NoAdj-H: B 121 PTR H : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 81 LYS NZ :NH3+ -124:sc= -0.403 (180deg=-1.9!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 SER OG : rot -21:sc= -0.0692 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -13.4! C(o=-13!,f=-17!) USER MOD Set 3.1: A 5 ASN :FLIP amide:sc= -2.76 F(o=-9.4!,f=-3.2) USER MOD Set 3.2: A 9 TYR OH : rot -19:sc= -0.418 USER MOD Single : A 4 ASN :FLIP amide:sc= -6.2! C(o=-11!,f=-6.2!) USER MOD Single : A 8 THR OG1 : rot -31:sc= 0.181 USER MOD Single : A 12 TYR OH : rot 120:sc= -9.87! USER MOD Single : A 13 ASN :FLIP amide:sc= -1.1 F(o=-5.9!,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -2.56! (180deg=-3.19!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 154:sc= -6.96! USER MOD Single : A 30 LYS NZ :NH3+ -112:sc= -1.82! (180deg=-3.99!) USER MOD Single : A 35 MET CE :methyl 172:sc= -18.1! (180deg=-18.6!) USER MOD Single : A 39 SER OG : rot -9:sc= -23.2! USER MOD Single : A 41 THR OG1 : rot -168:sc= -6.85! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.114 (180deg=-0.915) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.54 F(o=-3.4,f=-1.5) USER MOD Single : A 60 CYS SG : rot -5:sc= -2.58! USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -2.71! (180deg=-2.93!) USER MOD Single : A 64 TYR OH : rot -153:sc= -6.07! USER MOD Single : A 65 HIS : no HD1:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -2.84! (180deg=-3.5!) USER MOD Single : A 69 THR OG1 : rot 143:sc= -2.7! USER MOD Single : A 70 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.2!) USER MOD Single : A 72 SER OG : rot 1:sc= 1.01 USER MOD Single : A 74 LYS NZ :NH3+ -112:sc= -2.68! (180deg=-4.62!) USER MOD Single : A 76 TYR OH : rot 130:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= -2.94! USER MOD Single : A 86 SER OG : rot 43:sc= 0.011 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HE2:sc= -32.4! C(o=-32!,f=-37!) USER MOD Single : A 95 GLN :FLIP amide:sc= -13.7! C(o=-20!,f=-14!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -2.69 F(o=-4.2,f=-2.7) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -44:sc= 0.787 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -5.608 14.498 6.279 1.00 0.00 C HETATM 2 O ACE A 3 -6.202 13.543 6.778 1.00 0.00 O HETATM 3 CH3 ACE A 3 -5.802 15.895 6.816 1.00 0.00 C HETATM 0 H1 ACE A 3 -4.846 16.289 7.160 1.00 0.00 H new HETATM 0 H2 ACE A 3 -6.196 16.536 6.028 1.00 0.00 H new HETATM 0 H3 ACE A 3 -6.505 15.870 7.649 1.00 0.00 H new ATOM 7 N ASN A 4 -4.771 14.374 5.254 1.00 0.00 N ATOM 8 CA ASN A 4 -4.498 13.080 4.642 1.00 0.00 C ATOM 9 C ASN A 4 -3.899 12.112 5.658 1.00 0.00 C ATOM 10 O ASN A 4 -3.881 10.902 5.436 1.00 0.00 O ATOM 11 CB ASN A 4 -3.549 13.243 3.453 1.00 0.00 C ATOM 12 CG ASN A 4 -2.156 12.728 3.752 1.00 0.00 C ATOM 13 OD1 ASN A 4 -2.063 11.450 4.101 1.00 0.00 O flip ATOM 14 ND2 ASN A 4 -1.175 13.466 3.667 1.00 0.00 N flip ATOM 0 H ASN A 4 -4.270 15.155 4.830 1.00 0.00 H new ATOM 0 HA ASN A 4 -5.443 12.668 4.289 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.954 12.710 2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.493 14.296 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.293 14.442 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.244 13.102 3.868 1.00 0.00 H new ATOM 21 N ASN A 5 -3.414 12.655 6.771 1.00 0.00 N ATOM 22 CA ASN A 5 -2.815 11.841 7.826 1.00 0.00 C ATOM 23 C ASN A 5 -2.807 10.366 7.440 1.00 0.00 C ATOM 24 O ASN A 5 -3.481 9.546 8.060 1.00 0.00 O ATOM 25 CB ASN A 5 -3.575 12.033 9.139 1.00 0.00 C ATOM 26 CG ASN A 5 -5.079 12.040 8.943 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.537 11.423 7.860 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -5.821 12.591 9.756 1.00 0.00 N flip ATOM 0 H ASN A 5 -3.424 13.656 6.966 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.783 12.167 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.306 11.235 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.267 12.972 9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.426 13.054 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.831 12.585 9.611 1.00 0.00 H new ATOM 35 N LEU A 6 -2.038 10.038 6.407 1.00 0.00 N ATOM 36 CA LEU A 6 -1.940 8.663 5.930 1.00 0.00 C ATOM 37 C LEU A 6 -0.996 7.847 6.810 1.00 0.00 C ATOM 38 O LEU A 6 -1.190 6.647 7.008 1.00 0.00 O ATOM 39 CB LEU A 6 -1.455 8.651 4.473 1.00 0.00 C ATOM 40 CG LEU A 6 -1.661 7.333 3.722 1.00 0.00 C ATOM 41 CD1 LEU A 6 -3.035 7.301 3.086 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.590 7.140 2.659 1.00 0.00 C ATOM 0 H LEU A 6 -1.473 10.706 5.883 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.928 8.206 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.971 9.443 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.393 8.895 4.460 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.582 6.517 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.168 6.358 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.797 7.392 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.130 8.129 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.759 6.197 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.635 7.961 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.392 7.124 3.131 1.00 0.00 H new ATOM 54 N GLU A 7 0.029 8.513 7.322 1.00 0.00 N ATOM 55 CA GLU A 7 1.031 7.879 8.168 1.00 0.00 C ATOM 56 C GLU A 7 0.480 7.551 9.554 1.00 0.00 C ATOM 57 O GLU A 7 1.076 6.770 10.295 1.00 0.00 O ATOM 58 CB GLU A 7 2.254 8.787 8.309 1.00 0.00 C ATOM 59 CG GLU A 7 2.076 10.156 7.672 1.00 0.00 C ATOM 60 CD GLU A 7 2.025 10.093 6.158 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.102 10.040 5.530 1.00 0.00 O ATOM 62 OE2 GLU A 7 0.907 10.094 5.601 1.00 0.00 O ATOM 0 H GLU A 7 0.190 9.508 7.163 1.00 0.00 H new ATOM 0 HA GLU A 7 1.317 6.944 7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.480 8.915 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.115 8.295 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.157 10.609 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.897 10.804 7.977 1.00 0.00 H new ATOM 69 N THR A 8 -0.647 8.157 9.907 1.00 0.00 N ATOM 70 CA THR A 8 -1.250 7.927 11.215 1.00 0.00 C ATOM 71 C THR A 8 -2.182 6.722 11.199 1.00 0.00 C ATOM 72 O THR A 8 -2.677 6.300 12.245 1.00 0.00 O ATOM 73 CB THR A 8 -2.005 9.170 11.682 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.288 9.093 13.068 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.316 9.380 10.957 1.00 0.00 C ATOM 0 H THR A 8 -1.159 8.807 9.311 1.00 0.00 H new ATOM 0 HA THR A 8 -0.443 7.717 11.916 1.00 0.00 H new ATOM 0 HB THR A 8 -1.346 10.010 11.459 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.407 8.155 13.326 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.801 10.279 11.336 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.127 9.492 9.889 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.965 8.520 11.122 1.00 0.00 H new ATOM 83 N TYR A 9 -2.425 6.170 10.017 1.00 0.00 N ATOM 84 CA TYR A 9 -3.301 5.019 9.890 1.00 0.00 C ATOM 85 C TYR A 9 -2.548 3.724 10.161 1.00 0.00 C ATOM 86 O TYR A 9 -1.326 3.720 10.303 1.00 0.00 O ATOM 87 CB TYR A 9 -3.933 4.980 8.504 1.00 0.00 C ATOM 88 CG TYR A 9 -4.957 6.065 8.297 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.579 7.323 7.857 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.301 5.834 8.553 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.510 8.323 7.673 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.242 6.827 8.373 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.842 8.073 7.932 1.00 0.00 C ATOM 94 OH TYR A 9 -7.777 9.070 7.750 1.00 0.00 O ATOM 0 H TYR A 9 -2.028 6.501 9.138 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.091 5.116 10.635 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.151 5.077 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.404 4.009 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.537 7.524 7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.616 4.861 8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.198 9.298 7.328 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.285 6.631 8.576 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.328 9.941 7.737 1.00 0.00 H new ATOM 104 N GLU A 10 -3.293 2.627 10.246 1.00 0.00 N ATOM 105 CA GLU A 10 -2.705 1.324 10.517 1.00 0.00 C ATOM 106 C GLU A 10 -2.143 0.691 9.257 1.00 0.00 C ATOM 107 O GLU A 10 -2.213 -0.526 9.086 1.00 0.00 O ATOM 108 CB GLU A 10 -3.750 0.391 11.126 1.00 0.00 C ATOM 109 CG GLU A 10 -5.179 0.868 10.928 1.00 0.00 C ATOM 110 CD GLU A 10 -6.187 0.011 11.671 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.773 -0.992 12.289 1.00 0.00 O ATOM 112 OE2 GLU A 10 -7.390 0.346 11.635 1.00 0.00 O ATOM 0 H GLU A 10 -4.306 2.616 10.131 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.887 1.475 11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.642 -0.600 10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.555 0.287 12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.264 1.900 11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.416 0.862 9.864 1.00 0.00 H new ATOM 119 N TRP A 11 -1.598 1.503 8.361 1.00 0.00 N ATOM 120 CA TRP A 11 -1.059 0.961 7.126 1.00 0.00 C ATOM 121 C TRP A 11 0.002 1.853 6.472 1.00 0.00 C ATOM 122 O TRP A 11 0.673 1.415 5.540 1.00 0.00 O ATOM 123 CB TRP A 11 -2.206 0.706 6.150 1.00 0.00 C ATOM 124 CG TRP A 11 -3.361 1.639 6.347 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.394 1.504 7.230 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.599 2.853 5.635 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.255 2.569 7.115 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.789 3.407 6.135 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.916 3.524 4.624 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.311 4.603 5.654 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.435 4.709 4.145 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.624 5.239 4.660 1.00 0.00 C ATOM 0 H TRP A 11 -1.519 2.515 8.463 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.552 0.030 7.380 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.836 0.805 5.129 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.552 -0.321 6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.516 0.681 7.918 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.101 2.712 7.667 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.997 3.124 4.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.227 5.014 6.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.915 5.237 3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.005 6.169 4.264 1.00 0.00 H new ATOM 143 N TYR A 12 0.174 3.089 6.941 1.00 0.00 N ATOM 144 CA TYR A 12 1.176 3.965 6.346 1.00 0.00 C ATOM 145 C TYR A 12 2.468 3.942 7.147 1.00 0.00 C ATOM 146 O TYR A 12 2.498 4.315 8.321 1.00 0.00 O ATOM 147 CB TYR A 12 0.668 5.400 6.223 1.00 0.00 C ATOM 148 CG TYR A 12 1.552 6.253 5.337 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.713 5.728 4.788 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.228 7.569 5.036 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.523 6.481 3.967 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.036 8.334 4.217 1.00 0.00 C ATOM 153 CZ TYR A 12 3.182 7.785 3.684 1.00 0.00 C ATOM 154 OH TYR A 12 3.987 8.543 2.864 1.00 0.00 O ATOM 0 H TYR A 12 -0.355 3.497 7.712 1.00 0.00 H new ATOM 0 HA TYR A 12 1.376 3.585 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.345 5.390 5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.612 5.849 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.987 4.707 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.329 8.002 5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.421 6.051 3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.771 9.357 3.996 1.00 0.00 H new ATOM 0 HH TYR A 12 3.477 8.828 2.077 1.00 0.00 H new ATOM 164 N ASN A 13 3.532 3.501 6.496 1.00 0.00 N ATOM 165 CA ASN A 13 4.840 3.418 7.120 1.00 0.00 C ATOM 166 C ASN A 13 5.789 4.451 6.513 1.00 0.00 C ATOM 167 O ASN A 13 5.819 4.638 5.298 1.00 0.00 O ATOM 168 CB ASN A 13 5.399 2.012 6.943 1.00 0.00 C ATOM 169 CG ASN A 13 5.390 1.219 8.231 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.521 0.219 8.296 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 6.152 1.499 9.155 1.00 0.00 N flip ATOM 0 H ASN A 13 3.513 3.192 5.524 1.00 0.00 H new ATOM 0 HA ASN A 13 4.742 3.632 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.813 1.484 6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.420 2.075 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.804 2.278 9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.132 0.953 10.016 1.00 0.00 H new ATOM 178 N LYS A 14 6.550 5.131 7.364 1.00 0.00 N ATOM 179 CA LYS A 14 7.484 6.151 6.907 1.00 0.00 C ATOM 180 C LYS A 14 8.821 5.535 6.499 1.00 0.00 C ATOM 181 O LYS A 14 9.360 4.678 7.199 1.00 0.00 O ATOM 182 CB LYS A 14 7.707 7.191 8.003 1.00 0.00 C ATOM 183 CG LYS A 14 8.383 8.462 7.511 1.00 0.00 C ATOM 184 CD LYS A 14 7.697 9.011 6.270 1.00 0.00 C ATOM 185 CE LYS A 14 8.651 9.075 5.089 1.00 0.00 C ATOM 186 NZ LYS A 14 9.347 10.389 5.005 1.00 0.00 N ATOM 0 H LYS A 14 6.538 4.993 8.375 1.00 0.00 H new ATOM 0 HA LYS A 14 7.049 6.635 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.746 7.450 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.315 6.749 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.366 9.214 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.430 8.256 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.844 8.382 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.307 10.007 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.390 8.278 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.098 8.898 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.988 10.391 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.644 11.148 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.896 10.547 5.874 1.00 0.00 H new ATOM 200 N SER A 15 9.351 5.978 5.361 1.00 0.00 N ATOM 201 CA SER A 15 10.623 5.468 4.862 1.00 0.00 C ATOM 202 C SER A 15 10.610 3.948 4.851 1.00 0.00 C ATOM 203 O SER A 15 11.543 3.300 5.325 1.00 0.00 O ATOM 204 CB SER A 15 11.780 5.978 5.723 1.00 0.00 C ATOM 205 OG SER A 15 13.010 5.900 5.024 1.00 0.00 O ATOM 0 H SER A 15 8.919 6.688 4.769 1.00 0.00 H new ATOM 0 HA SER A 15 10.764 5.828 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.591 7.010 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.841 5.391 6.640 1.00 0.00 H new ATOM 0 HG SER A 15 13.733 6.233 5.596 1.00 0.00 H new ATOM 211 N ILE A 16 9.532 3.391 4.321 1.00 0.00 N ATOM 212 CA ILE A 16 9.368 1.946 4.255 1.00 0.00 C ATOM 213 C ILE A 16 9.593 1.415 2.842 1.00 0.00 C ATOM 214 O ILE A 16 10.631 0.821 2.550 1.00 0.00 O ATOM 215 CB ILE A 16 7.960 1.541 4.734 1.00 0.00 C ATOM 216 CG1 ILE A 16 7.423 0.367 3.911 1.00 0.00 C ATOM 217 CG2 ILE A 16 7.019 2.730 4.645 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.238 -0.323 4.552 1.00 0.00 C ATOM 0 H ILE A 16 8.754 3.920 3.928 1.00 0.00 H new ATOM 0 HA ILE A 16 10.120 1.507 4.911 1.00 0.00 H new ATOM 0 HB ILE A 16 8.025 1.221 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.134 0.727 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.222 -0.360 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.026 2.435 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.393 3.538 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.961 3.072 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.908 -1.145 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.528 -0.713 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.423 0.391 4.674 1.00 0.00 H new ATOM 230 N SER A 17 8.606 1.618 1.977 1.00 0.00 N ATOM 231 CA SER A 17 8.677 1.150 0.604 1.00 0.00 C ATOM 232 C SER A 17 7.733 -0.027 0.418 1.00 0.00 C ATOM 233 O SER A 17 7.605 -0.875 1.301 1.00 0.00 O ATOM 234 CB SER A 17 10.109 0.739 0.248 1.00 0.00 C ATOM 235 OG SER A 17 10.225 0.442 -1.132 1.00 0.00 O ATOM 0 H SER A 17 7.742 2.108 2.208 1.00 0.00 H new ATOM 0 HA SER A 17 8.379 1.961 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.797 1.543 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.398 -0.132 0.836 1.00 0.00 H new ATOM 0 HG SER A 17 11.148 0.184 -1.335 1.00 0.00 H new ATOM 241 N ARG A 18 7.071 -0.080 -0.728 1.00 0.00 N ATOM 242 CA ARG A 18 6.141 -1.161 -1.005 1.00 0.00 C ATOM 243 C ARG A 18 6.851 -2.501 -0.897 1.00 0.00 C ATOM 244 O ARG A 18 6.223 -3.533 -0.654 1.00 0.00 O ATOM 245 CB ARG A 18 5.535 -1.000 -2.401 1.00 0.00 C ATOM 246 CG ARG A 18 6.475 -1.409 -3.522 1.00 0.00 C ATOM 247 CD ARG A 18 5.720 -1.669 -4.815 1.00 0.00 C ATOM 248 NE ARG A 18 6.310 -0.956 -5.946 1.00 0.00 N ATOM 249 CZ ARG A 18 6.276 -1.407 -7.198 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.686 -2.560 -7.473 1.00 0.00 N ATOM 251 NH2 ARG A 18 6.834 -0.701 -8.172 1.00 0.00 N ATOM 0 H ARG A 18 7.160 0.608 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 18 5.337 -1.125 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.626 -1.597 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.243 0.041 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.214 -0.624 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.021 -2.307 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.715 -2.739 -5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.681 -1.363 -4.696 1.00 0.00 H new ATOM 0 HE ARG A 18 6.773 -0.065 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.256 -3.104 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.661 -2.904 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.289 0.187 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.808 -1.046 -9.131 1.00 0.00 H new ATOM 265 N ASP A 19 8.172 -2.476 -1.063 1.00 0.00 N ATOM 266 CA ASP A 19 8.961 -3.699 -0.974 1.00 0.00 C ATOM 267 C ASP A 19 8.921 -4.238 0.443 1.00 0.00 C ATOM 268 O ASP A 19 8.750 -5.442 0.672 1.00 0.00 O ATOM 269 CB ASP A 19 10.409 -3.425 -1.382 1.00 0.00 C ATOM 270 CG ASP A 19 11.099 -4.659 -1.929 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.660 -5.781 -1.598 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.079 -4.505 -2.689 1.00 0.00 O ATOM 0 H ASP A 19 8.712 -1.633 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 19 8.537 -4.440 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.428 -2.637 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.963 -3.055 -0.519 1.00 0.00 H new ATOM 277 N LYS A 20 9.020 -3.331 1.395 1.00 0.00 N ATOM 278 CA LYS A 20 8.953 -3.701 2.786 1.00 0.00 C ATOM 279 C LYS A 20 7.510 -3.995 3.121 1.00 0.00 C ATOM 280 O LYS A 20 7.186 -5.048 3.666 1.00 0.00 O ATOM 281 CB LYS A 20 9.510 -2.590 3.670 1.00 0.00 C ATOM 282 CG LYS A 20 8.607 -2.229 4.829 1.00 0.00 C ATOM 283 CD LYS A 20 9.242 -1.166 5.706 1.00 0.00 C ATOM 284 CE LYS A 20 10.542 -0.660 5.105 1.00 0.00 C ATOM 285 NZ LYS A 20 11.273 0.244 6.034 1.00 0.00 N ATOM 0 H LYS A 20 9.147 -2.333 1.226 1.00 0.00 H new ATOM 0 HA LYS A 20 9.562 -4.586 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.481 -2.898 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.678 -1.702 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.651 -1.869 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.400 -3.119 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.549 -0.334 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.432 -1.576 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.177 -1.508 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.330 -0.130 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.861 0.904 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.590 0.782 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.880 -0.321 6.662 1.00 0.00 H new ATOM 299 N ALA A 21 6.638 -3.075 2.730 1.00 0.00 N ATOM 300 CA ALA A 21 5.217 -3.262 2.940 1.00 0.00 C ATOM 301 C ALA A 21 4.849 -4.638 2.419 1.00 0.00 C ATOM 302 O ALA A 21 4.245 -5.453 3.122 1.00 0.00 O ATOM 303 CB ALA A 21 4.425 -2.179 2.229 1.00 0.00 C ATOM 0 H ALA A 21 6.891 -2.200 2.270 1.00 0.00 H new ATOM 0 HA ALA A 21 4.977 -3.190 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.360 -2.337 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.714 -1.202 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.632 -2.219 1.160 1.00 0.00 H new ATOM 309 N GLU A 22 5.284 -4.917 1.192 1.00 0.00 N ATOM 310 CA GLU A 22 5.055 -6.217 0.599 1.00 0.00 C ATOM 311 C GLU A 22 5.808 -7.253 1.412 1.00 0.00 C ATOM 312 O GLU A 22 5.282 -8.325 1.719 1.00 0.00 O ATOM 313 CB GLU A 22 5.515 -6.241 -0.860 1.00 0.00 C ATOM 314 CG GLU A 22 7.022 -6.346 -1.019 1.00 0.00 C ATOM 315 CD GLU A 22 7.435 -6.725 -2.429 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.560 -6.738 -3.320 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.634 -7.006 -2.641 1.00 0.00 O ATOM 0 H GLU A 22 5.792 -4.261 0.599 1.00 0.00 H new ATOM 0 HA GLU A 22 3.988 -6.440 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.045 -7.083 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.167 -5.335 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.479 -5.392 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.407 -7.088 -0.320 1.00 0.00 H new ATOM 324 N LYS A 23 7.041 -6.905 1.782 1.00 0.00 N ATOM 325 CA LYS A 23 7.872 -7.788 2.587 1.00 0.00 C ATOM 326 C LYS A 23 7.130 -8.200 3.849 1.00 0.00 C ATOM 327 O LYS A 23 6.995 -9.386 4.148 1.00 0.00 O ATOM 328 CB LYS A 23 9.182 -7.091 2.958 1.00 0.00 C ATOM 329 CG LYS A 23 10.135 -7.966 3.757 1.00 0.00 C ATOM 330 CD LYS A 23 10.870 -8.947 2.860 1.00 0.00 C ATOM 331 CE LYS A 23 10.097 -9.213 1.580 1.00 0.00 C ATOM 332 NZ LYS A 23 10.962 -9.797 0.518 1.00 0.00 N ATOM 0 H LYS A 23 7.482 -6.019 1.535 1.00 0.00 H new ATOM 0 HA LYS A 23 8.100 -8.679 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.681 -6.765 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.956 -6.195 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.856 -7.338 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.578 -8.513 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.856 -8.551 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.026 -9.884 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.271 -9.893 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.660 -8.282 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.396 -9.963 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.736 -9.138 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.359 -10.699 0.851 1.00 0.00 H new ATOM 346 N LEU A 24 6.629 -7.212 4.574 1.00 0.00 N ATOM 347 CA LEU A 24 5.870 -7.478 5.790 1.00 0.00 C ATOM 348 C LEU A 24 4.531 -8.108 5.437 1.00 0.00 C ATOM 349 O LEU A 24 4.051 -9.008 6.126 1.00 0.00 O ATOM 350 CB LEU A 24 5.631 -6.208 6.615 1.00 0.00 C ATOM 351 CG LEU A 24 6.602 -5.052 6.376 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.968 -5.565 5.935 1.00 0.00 C ATOM 353 CD2 LEU A 24 6.018 -4.087 5.357 1.00 0.00 C ATOM 0 H LEU A 24 6.732 -6.223 4.345 1.00 0.00 H new ATOM 0 HA LEU A 24 6.462 -8.163 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.620 -5.853 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.669 -6.474 7.671 1.00 0.00 H new ATOM 0 HG LEU A 24 6.746 -4.517 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.638 -4.721 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.381 -6.212 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.863 -6.129 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.716 -3.266 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.845 -4.611 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.074 -3.691 5.730 1.00 0.00 H new ATOM 365 N LEU A 25 3.925 -7.610 4.361 1.00 0.00 N ATOM 366 CA LEU A 25 2.629 -8.105 3.916 1.00 0.00 C ATOM 367 C LEU A 25 2.687 -9.582 3.568 1.00 0.00 C ATOM 368 O LEU A 25 1.871 -10.374 4.043 1.00 0.00 O ATOM 369 CB LEU A 25 2.143 -7.299 2.713 1.00 0.00 C ATOM 370 CG LEU A 25 1.233 -6.118 3.049 1.00 0.00 C ATOM 371 CD1 LEU A 25 2.018 -5.009 3.733 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.562 -5.596 1.791 1.00 0.00 C ATOM 0 H LEU A 25 4.313 -6.864 3.783 1.00 0.00 H new ATOM 0 HA LEU A 25 1.924 -7.983 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.012 -6.926 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.609 -7.968 2.038 1.00 0.00 H new ATOM 0 HG LEU A 25 0.462 -6.463 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.350 -4.179 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.455 -5.389 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.812 -4.663 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.083 -4.755 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.322 -5.269 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.036 -6.389 1.342 1.00 0.00 H new ATOM 384 N LEU A 26 3.646 -9.952 2.738 1.00 0.00 N ATOM 385 CA LEU A 26 3.797 -11.344 2.336 1.00 0.00 C ATOM 386 C LEU A 26 4.390 -12.171 3.470 1.00 0.00 C ATOM 387 O LEU A 26 3.981 -13.307 3.708 1.00 0.00 O ATOM 388 CB LEU A 26 4.669 -11.458 1.085 1.00 0.00 C ATOM 389 CG LEU A 26 6.170 -11.517 1.350 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.931 -11.787 0.060 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.642 -10.222 1.988 1.00 0.00 C ATOM 0 H LEU A 26 4.329 -9.314 2.330 1.00 0.00 H new ATOM 0 HA LEU A 26 2.807 -11.735 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.376 -12.353 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.463 -10.606 0.437 1.00 0.00 H new ATOM 0 HG LEU A 26 6.369 -12.337 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.000 -11.826 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.609 -12.740 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.730 -10.989 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.715 -10.277 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.431 -9.388 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.119 -10.070 2.932 1.00 0.00 H new ATOM 403 N ASP A 27 5.353 -11.585 4.167 1.00 0.00 N ATOM 404 CA ASP A 27 6.007 -12.251 5.285 1.00 0.00 C ATOM 405 C ASP A 27 5.038 -12.441 6.444 1.00 0.00 C ATOM 406 O ASP A 27 5.000 -13.498 7.074 1.00 0.00 O ATOM 407 CB ASP A 27 7.223 -11.446 5.747 1.00 0.00 C ATOM 408 CG ASP A 27 8.391 -11.564 4.788 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.509 -12.612 4.120 1.00 0.00 O ATOM 410 OD2 ASP A 27 9.190 -10.608 4.706 1.00 0.00 O ATOM 0 H ASP A 27 5.700 -10.645 3.977 1.00 0.00 H new ATOM 0 HA ASP A 27 6.339 -13.233 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.944 -10.397 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.530 -11.791 6.734 1.00 0.00 H new ATOM 415 N THR A 28 4.257 -11.406 6.714 1.00 0.00 N ATOM 416 CA THR A 28 3.281 -11.440 7.796 1.00 0.00 C ATOM 417 C THR A 28 2.213 -12.490 7.527 1.00 0.00 C ATOM 418 O THR A 28 1.768 -13.190 8.437 1.00 0.00 O ATOM 419 CB THR A 28 2.633 -10.066 7.974 1.00 0.00 C ATOM 420 OG1 THR A 28 1.794 -10.050 9.115 1.00 0.00 O ATOM 421 CG2 THR A 28 1.801 -9.638 6.785 1.00 0.00 C ATOM 0 H THR A 28 4.280 -10.527 6.197 1.00 0.00 H new ATOM 0 HA THR A 28 3.803 -11.705 8.715 1.00 0.00 H new ATOM 0 HB THR A 28 3.463 -9.368 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.725 -9.134 9.457 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.370 -8.655 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.432 -9.590 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.000 -10.360 6.623 1.00 0.00 H new ATOM 429 N GLY A 29 1.813 -12.594 6.269 1.00 0.00 N ATOM 430 CA GLY A 29 0.803 -13.564 5.889 1.00 0.00 C ATOM 431 C GLY A 29 -0.555 -13.275 6.500 1.00 0.00 C ATOM 432 O GLY A 29 -1.264 -14.193 6.910 1.00 0.00 O ATOM 0 H GLY A 29 2.169 -12.024 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.711 -13.578 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.129 -14.558 6.195 1.00 0.00 H new ATOM 436 N LYS A 30 -0.922 -11.998 6.557 1.00 0.00 N ATOM 437 CA LYS A 30 -2.210 -11.601 7.116 1.00 0.00 C ATOM 438 C LYS A 30 -3.221 -11.358 6.014 1.00 0.00 C ATOM 439 O LYS A 30 -3.100 -10.392 5.261 1.00 0.00 O ATOM 440 CB LYS A 30 -2.079 -10.320 7.937 1.00 0.00 C ATOM 441 CG LYS A 30 -0.680 -10.079 8.479 1.00 0.00 C ATOM 442 CD LYS A 30 -0.665 -10.074 9.999 1.00 0.00 C ATOM 443 CE LYS A 30 -1.689 -11.044 10.568 1.00 0.00 C ATOM 444 NZ LYS A 30 -3.002 -10.386 10.813 1.00 0.00 N ATOM 0 H LYS A 30 -0.348 -11.223 6.224 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.547 -12.415 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.370 -9.471 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.780 -10.361 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.007 -10.853 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.304 -9.126 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.330 -10.342 10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.873 -9.068 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.824 -11.876 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.313 -11.462 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.179 -10.336 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.988 -9.425 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.757 -10.937 10.358 1.00 0.00 H new ATOM 458 N GLU A 31 -4.228 -12.213 5.921 1.00 0.00 N ATOM 459 CA GLU A 31 -5.240 -12.024 4.903 1.00 0.00 C ATOM 460 C GLU A 31 -5.717 -10.582 4.954 1.00 0.00 C ATOM 461 O GLU A 31 -6.163 -10.102 5.996 1.00 0.00 O ATOM 462 CB GLU A 31 -6.414 -12.981 5.122 1.00 0.00 C ATOM 463 CG GLU A 31 -7.588 -12.347 5.848 1.00 0.00 C ATOM 464 CD GLU A 31 -7.376 -12.274 7.348 1.00 0.00 C ATOM 465 OE1 GLU A 31 -7.012 -13.308 7.946 1.00 0.00 O ATOM 466 OE2 GLU A 31 -7.577 -11.185 7.924 1.00 0.00 O ATOM 0 H GLU A 31 -4.362 -13.025 6.524 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.814 -12.239 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.753 -13.353 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.068 -13.843 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.751 -11.342 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.491 -12.920 5.640 1.00 0.00 H new ATOM 473 N GLY A 32 -5.614 -9.890 3.831 1.00 0.00 N ATOM 474 CA GLY A 32 -6.030 -8.506 3.783 1.00 0.00 C ATOM 475 C GLY A 32 -5.086 -7.582 4.518 1.00 0.00 C ATOM 476 O GLY A 32 -5.524 -6.620 5.139 1.00 0.00 O ATOM 0 H GLY A 32 -5.250 -10.261 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.103 -8.190 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.027 -8.416 4.214 1.00 0.00 H new ATOM 480 N ALA A 33 -3.789 -7.846 4.455 1.00 0.00 N ATOM 481 CA ALA A 33 -2.842 -6.976 5.142 1.00 0.00 C ATOM 482 C ALA A 33 -2.349 -5.883 4.205 1.00 0.00 C ATOM 483 O ALA A 33 -1.718 -6.170 3.187 1.00 0.00 O ATOM 484 CB ALA A 33 -1.671 -7.788 5.675 1.00 0.00 C ATOM 0 H ALA A 33 -3.376 -8.631 3.952 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.350 -6.505 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.972 -7.126 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.037 -8.538 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.164 -8.282 4.846 1.00 0.00 H new ATOM 490 N PHE A 34 -2.636 -4.624 4.544 1.00 0.00 N ATOM 491 CA PHE A 34 -2.205 -3.513 3.713 1.00 0.00 C ATOM 492 C PHE A 34 -1.399 -2.468 4.463 1.00 0.00 C ATOM 493 O PHE A 34 -1.411 -2.395 5.693 1.00 0.00 O ATOM 494 CB PHE A 34 -3.393 -2.845 3.023 1.00 0.00 C ATOM 495 CG PHE A 34 -4.512 -2.460 3.944 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.324 -1.527 4.954 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.764 -3.020 3.783 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.368 -1.165 5.782 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.809 -2.664 4.608 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.613 -1.735 5.610 1.00 0.00 C ATOM 0 H PHE A 34 -3.158 -4.357 5.378 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.544 -3.952 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.041 -1.952 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.782 -3.521 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.351 -1.079 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.926 -3.746 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.210 -0.436 6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.782 -3.112 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.431 -1.455 6.257 1.00 0.00 H new ATOM 510 N MET A 35 -0.734 -1.636 3.678 1.00 0.00 N ATOM 511 CA MET A 35 0.069 -0.528 4.179 1.00 0.00 C ATOM 512 C MET A 35 0.218 0.494 3.059 1.00 0.00 C ATOM 513 O MET A 35 -0.038 0.173 1.909 1.00 0.00 O ATOM 514 CB MET A 35 1.438 -1.016 4.654 1.00 0.00 C ATOM 515 CG MET A 35 2.517 -0.940 3.591 1.00 0.00 C ATOM 516 SD MET A 35 3.061 0.748 3.269 1.00 0.00 S ATOM 517 CE MET A 35 2.910 0.815 1.486 1.00 0.00 C ATOM 0 H MET A 35 -0.736 -1.711 2.661 1.00 0.00 H new ATOM 0 HA MET A 35 -0.425 -0.072 5.037 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.746 -0.423 5.515 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.348 -2.048 4.994 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.372 -1.539 3.904 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.142 -1.379 2.666 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.074 1.837 1.145 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.653 0.158 1.033 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.912 0.490 1.193 1.00 0.00 H new ATOM 527 N VAL A 36 0.616 1.719 3.374 1.00 0.00 N ATOM 528 CA VAL A 36 0.767 2.734 2.337 1.00 0.00 C ATOM 529 C VAL A 36 2.086 3.471 2.478 1.00 0.00 C ATOM 530 O VAL A 36 2.446 3.907 3.564 1.00 0.00 O ATOM 531 CB VAL A 36 -0.383 3.755 2.358 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.725 3.057 2.197 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.340 4.580 3.633 1.00 0.00 C ATOM 0 H VAL A 36 0.837 2.032 4.319 1.00 0.00 H new ATOM 0 HA VAL A 36 0.746 2.205 1.384 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.259 4.434 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.525 3.797 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.746 2.523 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.868 2.350 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.161 5.297 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.436 3.921 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.608 5.115 3.689 1.00 0.00 H new ATOM 543 N ARG A 37 2.808 3.601 1.373 1.00 0.00 N ATOM 544 CA ARG A 37 4.086 4.285 1.385 1.00 0.00 C ATOM 545 C ARG A 37 4.127 5.430 0.380 1.00 0.00 C ATOM 546 O ARG A 37 3.487 5.374 -0.676 1.00 0.00 O ATOM 547 CB ARG A 37 5.222 3.300 1.105 1.00 0.00 C ATOM 548 CG ARG A 37 6.404 3.926 0.383 1.00 0.00 C ATOM 549 CD ARG A 37 7.090 4.975 1.241 1.00 0.00 C ATOM 550 NE ARG A 37 8.536 4.773 1.301 1.00 0.00 N ATOM 551 CZ ARG A 37 9.419 5.767 1.289 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.005 7.025 1.219 1.00 0.00 N ATOM 553 NH2 ARG A 37 10.717 5.502 1.345 1.00 0.00 N ATOM 0 H ARG A 37 2.528 3.241 0.461 1.00 0.00 H new ATOM 0 HA ARG A 37 4.217 4.711 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.566 2.877 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.837 2.474 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.120 3.149 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.064 4.381 -0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.879 5.966 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.678 4.945 2.250 1.00 0.00 H new ATOM 0 HE ARG A 37 8.887 3.817 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.007 7.232 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.684 7.786 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.038 4.535 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.394 6.265 1.336 1.00 0.00 H new ATOM 567 N ASP A 38 4.900 6.458 0.721 1.00 0.00 N ATOM 568 CA ASP A 38 5.066 7.622 -0.137 1.00 0.00 C ATOM 569 C ASP A 38 6.256 7.422 -1.073 1.00 0.00 C ATOM 570 O ASP A 38 7.408 7.451 -0.639 1.00 0.00 O ATOM 571 CB ASP A 38 5.272 8.881 0.706 1.00 0.00 C ATOM 572 CG ASP A 38 6.177 8.637 1.898 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.380 7.459 2.259 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.683 9.625 2.470 1.00 0.00 O ATOM 0 H ASP A 38 5.425 6.505 1.594 1.00 0.00 H new ATOM 0 HA ASP A 38 4.162 7.743 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.700 9.666 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.305 9.243 1.055 1.00 0.00 H new ATOM 579 N SER A 39 5.974 7.220 -2.353 1.00 0.00 N ATOM 580 CA SER A 39 7.027 7.014 -3.342 1.00 0.00 C ATOM 581 C SER A 39 7.805 8.296 -3.593 1.00 0.00 C ATOM 582 O SER A 39 7.935 9.140 -2.708 1.00 0.00 O ATOM 583 CB SER A 39 6.440 6.499 -4.652 1.00 0.00 C ATOM 584 OG SER A 39 5.449 5.516 -4.413 1.00 0.00 O ATOM 0 H SER A 39 5.027 7.194 -2.732 1.00 0.00 H new ATOM 0 HA SER A 39 7.714 6.268 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.007 7.328 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.233 6.078 -5.269 1.00 0.00 H new ATOM 0 HG SER A 39 5.451 5.274 -3.463 1.00 0.00 H new ATOM 590 N ARG A 40 8.322 8.432 -4.807 1.00 0.00 N ATOM 591 CA ARG A 40 9.095 9.612 -5.174 1.00 0.00 C ATOM 592 C ARG A 40 8.508 10.284 -6.408 1.00 0.00 C ATOM 593 O ARG A 40 7.735 11.234 -6.302 1.00 0.00 O ATOM 594 CB ARG A 40 10.556 9.234 -5.423 1.00 0.00 C ATOM 595 CG ARG A 40 11.113 8.253 -4.405 1.00 0.00 C ATOM 596 CD ARG A 40 11.949 8.957 -3.350 1.00 0.00 C ATOM 597 NE ARG A 40 12.642 10.124 -3.889 1.00 0.00 N ATOM 598 CZ ARG A 40 13.039 11.152 -3.148 1.00 0.00 C ATOM 599 NH1 ARG A 40 12.811 11.157 -1.841 1.00 0.00 N ATOM 600 NH2 ARG A 40 13.663 12.176 -3.710 1.00 0.00 N ATOM 0 H ARG A 40 8.221 7.743 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 40 9.050 10.319 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.646 8.801 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.163 10.139 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.292 7.721 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.722 7.506 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.307 9.266 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.679 8.259 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 40 12.832 10.151 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.330 10.371 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.116 11.947 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.840 12.176 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.967 12.964 -3.138 1.00 0.00 H new ATOM 614 N THR A 41 8.882 9.784 -7.578 1.00 0.00 N ATOM 615 CA THR A 41 8.396 10.333 -8.831 1.00 0.00 C ATOM 616 C THR A 41 6.877 10.137 -8.952 1.00 0.00 C ATOM 617 O THR A 41 6.116 10.928 -8.398 1.00 0.00 O ATOM 618 CB THR A 41 9.162 9.702 -9.991 1.00 0.00 C ATOM 619 OG1 THR A 41 8.425 9.788 -11.198 1.00 0.00 O ATOM 620 CG2 THR A 41 9.527 8.249 -9.748 1.00 0.00 C ATOM 0 H THR A 41 9.522 8.997 -7.683 1.00 0.00 H new ATOM 0 HA THR A 41 8.574 11.408 -8.860 1.00 0.00 H new ATOM 0 HB THR A 41 10.086 10.274 -10.072 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.842 9.218 -11.877 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.069 7.861 -10.610 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.156 8.175 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.618 7.666 -9.599 1.00 0.00 H new ATOM 628 N PRO A 42 6.397 9.082 -9.645 1.00 0.00 N ATOM 629 CA PRO A 42 4.969 8.821 -9.779 1.00 0.00 C ATOM 630 C PRO A 42 4.491 7.866 -8.707 1.00 0.00 C ATOM 631 O PRO A 42 5.290 7.114 -8.149 1.00 0.00 O ATOM 632 CB PRO A 42 4.905 8.121 -11.113 1.00 0.00 C ATOM 633 CG PRO A 42 6.119 7.255 -11.086 1.00 0.00 C ATOM 634 CD PRO A 42 7.174 8.038 -10.340 1.00 0.00 C ATOM 0 HA PRO A 42 4.359 9.721 -9.696 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.992 7.535 -11.220 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.930 8.827 -11.943 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.911 6.308 -10.588 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.451 7.018 -12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.720 7.408 -9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.909 8.469 -11.019 1.00 0.00 H new ATOM 642 N GLY A 43 3.208 7.886 -8.400 1.00 0.00 N ATOM 643 CA GLY A 43 2.733 7.003 -7.386 1.00 0.00 C ATOM 644 C GLY A 43 3.434 7.310 -6.107 1.00 0.00 C ATOM 645 O GLY A 43 4.451 6.711 -5.781 1.00 0.00 O ATOM 0 H GLY A 43 2.506 8.488 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.656 7.117 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.913 5.967 -7.674 1.00 0.00 H new ATOM 649 N THR A 44 2.909 8.292 -5.413 1.00 0.00 N ATOM 650 CA THR A 44 3.517 8.750 -4.176 1.00 0.00 C ATOM 651 C THR A 44 3.013 7.940 -2.989 1.00 0.00 C ATOM 652 O THR A 44 3.780 7.188 -2.395 1.00 0.00 O ATOM 653 CB THR A 44 3.224 10.239 -3.968 1.00 0.00 C ATOM 654 OG1 THR A 44 4.408 10.941 -3.631 1.00 0.00 O ATOM 655 CG2 THR A 44 2.207 10.511 -2.881 1.00 0.00 C ATOM 0 H THR A 44 2.061 8.793 -5.680 1.00 0.00 H new ATOM 0 HA THR A 44 4.595 8.607 -4.249 1.00 0.00 H new ATOM 0 HB THR A 44 2.813 10.583 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.201 11.890 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.050 11.586 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.264 10.027 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.573 10.117 -1.933 1.00 0.00 H new ATOM 663 N TYR A 45 1.740 8.043 -2.653 1.00 0.00 N ATOM 664 CA TYR A 45 1.227 7.252 -1.548 1.00 0.00 C ATOM 665 C TYR A 45 0.607 5.977 -2.082 1.00 0.00 C ATOM 666 O TYR A 45 -0.463 6.004 -2.690 1.00 0.00 O ATOM 667 CB TYR A 45 0.203 8.028 -0.724 1.00 0.00 C ATOM 668 CG TYR A 45 0.763 9.268 -0.071 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.893 9.199 0.734 1.00 0.00 C ATOM 670 CD2 TYR A 45 0.159 10.504 -0.254 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.406 10.331 1.337 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.665 11.640 0.345 1.00 0.00 C ATOM 673 CZ TYR A 45 1.789 11.549 1.139 1.00 0.00 C ATOM 674 OH TYR A 45 2.298 12.680 1.738 1.00 0.00 O ATOM 0 H TYR A 45 1.059 8.647 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 45 2.061 7.009 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.629 8.312 -1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.201 7.373 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.377 8.247 0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.721 10.578 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.285 10.263 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.183 12.595 0.193 1.00 0.00 H new ATOM 0 HH TYR A 45 1.748 13.454 1.496 1.00 0.00 H new ATOM 684 N THR A 46 1.282 4.859 -1.859 1.00 0.00 N ATOM 685 CA THR A 46 0.778 3.581 -2.332 1.00 0.00 C ATOM 686 C THR A 46 0.565 2.622 -1.182 1.00 0.00 C ATOM 687 O THR A 46 1.395 2.530 -0.277 1.00 0.00 O ATOM 688 CB THR A 46 1.732 2.955 -3.341 1.00 0.00 C ATOM 689 OG1 THR A 46 1.939 3.819 -4.443 1.00 0.00 O ATOM 690 CG2 THR A 46 1.232 1.629 -3.874 1.00 0.00 C ATOM 0 H THR A 46 2.170 4.811 -1.359 1.00 0.00 H new ATOM 0 HA THR A 46 -0.179 3.771 -2.819 1.00 0.00 H new ATOM 0 HB THR A 46 2.665 2.787 -2.802 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.952 1.229 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.112 0.927 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.272 1.775 -4.369 1.00 0.00 H new ATOM 698 N VAL A 47 -0.550 1.907 -1.220 1.00 0.00 N ATOM 699 CA VAL A 47 -0.863 0.963 -0.178 1.00 0.00 C ATOM 700 C VAL A 47 -0.507 -0.466 -0.573 1.00 0.00 C ATOM 701 O VAL A 47 -0.996 -0.990 -1.580 1.00 0.00 O ATOM 702 CB VAL A 47 -2.353 1.026 0.215 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.062 2.159 -0.513 1.00 0.00 C ATOM 704 CG2 VAL A 47 -3.042 -0.309 -0.034 1.00 0.00 C ATOM 0 H VAL A 47 -1.246 1.968 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.255 1.247 0.681 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.410 1.232 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.111 2.181 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.592 3.108 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.991 2.001 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.091 -0.236 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.971 -0.563 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.558 -1.085 0.559 1.00 0.00 H new ATOM 714 N SER A 48 0.322 -1.098 0.255 1.00 0.00 N ATOM 715 CA SER A 48 0.718 -2.479 0.049 1.00 0.00 C ATOM 716 C SER A 48 -0.284 -3.362 0.773 1.00 0.00 C ATOM 717 O SER A 48 -0.493 -3.200 1.978 1.00 0.00 O ATOM 718 CB SER A 48 2.138 -2.731 0.578 1.00 0.00 C ATOM 719 OG SER A 48 2.883 -3.531 -0.327 1.00 0.00 O ATOM 0 H SER A 48 0.733 -0.665 1.082 1.00 0.00 H new ATOM 0 HA SER A 48 0.727 -2.707 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.647 -1.779 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.086 -3.225 1.548 1.00 0.00 H new ATOM 0 HG SER A 48 2.269 -4.021 -0.912 1.00 0.00 H new ATOM 725 N VAL A 49 -0.934 -4.254 0.034 1.00 0.00 N ATOM 726 CA VAL A 49 -1.947 -5.125 0.605 1.00 0.00 C ATOM 727 C VAL A 49 -1.616 -6.599 0.425 1.00 0.00 C ATOM 728 O VAL A 49 -1.004 -7.001 -0.564 1.00 0.00 O ATOM 729 CB VAL A 49 -3.322 -4.834 -0.006 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.429 -5.086 1.007 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.364 -3.404 -0.516 1.00 0.00 C ATOM 0 H VAL A 49 -0.775 -4.391 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.968 -4.914 1.674 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.486 -5.509 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.395 -4.873 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.400 -6.128 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.285 -4.438 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.343 -3.201 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.184 -2.717 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.595 -3.266 -1.276 1.00 0.00 H new ATOM 741 N PHE A 50 -2.039 -7.394 1.399 1.00 0.00 N ATOM 742 CA PHE A 50 -1.807 -8.830 1.378 1.00 0.00 C ATOM 743 C PHE A 50 -3.116 -9.587 1.549 1.00 0.00 C ATOM 744 O PHE A 50 -3.808 -9.432 2.559 1.00 0.00 O ATOM 745 CB PHE A 50 -0.824 -9.230 2.480 1.00 0.00 C ATOM 746 CG PHE A 50 -0.693 -10.715 2.656 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.743 -11.460 3.168 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.479 -11.366 2.307 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.626 -12.827 3.331 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.602 -12.733 2.467 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.452 -13.464 2.979 1.00 0.00 C ATOM 0 H PHE A 50 -2.548 -7.064 2.219 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.377 -9.090 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.156 -8.811 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.147 -8.788 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.663 -10.966 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.306 -10.799 1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.451 -13.396 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.521 -13.229 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.358 -14.533 3.104 1.00 0.00 H new ATOM 761 N THR A 51 -3.445 -10.400 0.548 1.00 0.00 N ATOM 762 CA THR A 51 -4.670 -11.186 0.559 1.00 0.00 C ATOM 763 C THR A 51 -4.374 -12.672 0.732 1.00 0.00 C ATOM 764 O THR A 51 -3.422 -13.198 0.156 1.00 0.00 O ATOM 765 CB THR A 51 -5.456 -10.959 -0.733 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.837 -11.202 -0.528 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.001 -11.842 -1.875 1.00 0.00 C ATOM 0 H THR A 51 -2.873 -10.530 -0.286 1.00 0.00 H new ATOM 0 HA THR A 51 -5.269 -10.857 1.408 1.00 0.00 H new ATOM 0 HB THR A 51 -5.272 -9.919 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.324 -11.050 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.600 -11.629 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.951 -11.645 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.124 -12.889 -1.597 1.00 0.00 H new ATOM 775 N LYS A 52 -5.204 -13.345 1.524 1.00 0.00 N ATOM 776 CA LYS A 52 -5.039 -14.773 1.768 1.00 0.00 C ATOM 777 C LYS A 52 -5.551 -15.587 0.584 1.00 0.00 C ATOM 778 O LYS A 52 -6.704 -15.448 0.175 1.00 0.00 O ATOM 779 CB LYS A 52 -5.778 -15.184 3.043 1.00 0.00 C ATOM 780 CG LYS A 52 -7.292 -15.168 2.901 1.00 0.00 C ATOM 781 CD LYS A 52 -7.848 -16.570 2.713 1.00 0.00 C ATOM 782 CE LYS A 52 -8.813 -16.633 1.541 1.00 0.00 C ATOM 783 NZ LYS A 52 -9.807 -15.525 1.578 1.00 0.00 N ATOM 0 H LYS A 52 -5.997 -12.924 2.007 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.975 -14.975 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.459 -16.186 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.490 -14.513 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.737 -14.715 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.572 -14.547 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.028 -17.269 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.358 -16.886 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.253 -16.587 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.335 -17.590 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.710 -15.856 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.951 -15.220 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.455 -14.724 1.015 1.00 0.00 H new ATOM 797 N ALA A 53 -4.686 -16.432 0.036 1.00 0.00 N ATOM 798 CA ALA A 53 -5.046 -17.262 -1.101 1.00 0.00 C ATOM 799 C ALA A 53 -5.264 -18.713 -0.681 1.00 0.00 C ATOM 800 O ALA A 53 -4.678 -19.182 0.294 1.00 0.00 O ATOM 801 CB ALA A 53 -3.976 -17.178 -2.178 1.00 0.00 C ATOM 0 H ALA A 53 -3.728 -16.559 0.364 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.985 -16.885 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.260 -17.805 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.875 -16.145 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.025 -17.524 -1.773 1.00 0.00 H new ATOM 807 N ILE A 54 -6.110 -19.417 -1.426 1.00 0.00 N ATOM 808 CA ILE A 54 -6.405 -20.815 -1.135 1.00 0.00 C ATOM 809 C ILE A 54 -5.122 -21.623 -0.975 1.00 0.00 C ATOM 810 O ILE A 54 -4.082 -21.088 -0.588 1.00 0.00 O ATOM 811 CB ILE A 54 -7.265 -21.450 -2.245 1.00 0.00 C ATOM 812 CG1 ILE A 54 -8.169 -22.536 -1.661 1.00 0.00 C ATOM 813 CG2 ILE A 54 -6.377 -22.022 -3.340 1.00 0.00 C ATOM 814 CD1 ILE A 54 -9.602 -22.446 -2.136 1.00 0.00 C ATOM 0 H ILE A 54 -6.603 -19.042 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.963 -20.834 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.896 -20.677 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.767 -23.514 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.150 -22.468 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.998 -22.467 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.772 -21.225 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.723 -22.785 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.187 -23.246 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.021 -21.482 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.632 -22.544 -3.221 1.00 0.00 H new ATOM 826 N ILE A 55 -5.202 -22.916 -1.274 1.00 0.00 N ATOM 827 CA ILE A 55 -4.050 -23.798 -1.164 1.00 0.00 C ATOM 828 C ILE A 55 -3.020 -23.499 -2.245 1.00 0.00 C ATOM 829 O ILE A 55 -2.180 -22.612 -2.091 1.00 0.00 O ATOM 830 CB ILE A 55 -4.468 -25.279 -1.263 1.00 0.00 C ATOM 831 CG1 ILE A 55 -5.820 -25.406 -1.965 1.00 0.00 C ATOM 832 CG2 ILE A 55 -4.523 -25.906 0.123 1.00 0.00 C ATOM 833 CD1 ILE A 55 -7.001 -25.320 -1.023 1.00 0.00 C ATOM 0 H ILE A 55 -6.055 -23.375 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.605 -23.616 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.723 -25.813 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.906 -24.620 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.857 -26.358 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.819 -26.951 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.540 -25.844 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.249 -25.372 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.927 -25.418 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.939 -26.122 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.989 -24.358 -0.511 1.00 0.00 H new ATOM 845 N SER A 56 -3.089 -24.247 -3.338 1.00 0.00 N ATOM 846 CA SER A 56 -2.164 -24.069 -4.452 1.00 0.00 C ATOM 847 C SER A 56 -2.138 -22.616 -4.915 1.00 0.00 C ATOM 848 O SER A 56 -1.147 -22.150 -5.476 1.00 0.00 O ATOM 849 CB SER A 56 -2.554 -24.980 -5.616 1.00 0.00 C ATOM 850 OG SER A 56 -1.986 -24.525 -6.832 1.00 0.00 O ATOM 0 H SER A 56 -3.778 -24.986 -3.478 1.00 0.00 H new ATOM 0 HA SER A 56 -1.166 -24.338 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.220 -25.998 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.640 -25.013 -5.708 1.00 0.00 H new ATOM 0 HG SER A 56 -2.249 -25.125 -7.561 1.00 0.00 H new ATOM 856 N GLU A 57 -3.235 -21.905 -4.679 1.00 0.00 N ATOM 857 CA GLU A 57 -3.339 -20.505 -5.075 1.00 0.00 C ATOM 858 C GLU A 57 -2.290 -19.658 -4.361 1.00 0.00 C ATOM 859 O GLU A 57 -1.915 -18.587 -4.837 1.00 0.00 O ATOM 860 CB GLU A 57 -4.738 -19.967 -4.769 1.00 0.00 C ATOM 861 CG GLU A 57 -4.980 -18.564 -5.300 1.00 0.00 C ATOM 862 CD GLU A 57 -5.465 -18.559 -6.736 1.00 0.00 C ATOM 863 OE1 GLU A 57 -4.615 -18.601 -7.650 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.695 -18.514 -6.947 1.00 0.00 O ATOM 0 H GLU A 57 -4.065 -22.275 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.161 -20.444 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.479 -20.641 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.891 -19.969 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.716 -18.063 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.057 -17.989 -5.230 1.00 0.00 H new ATOM 871 N ASN A 58 -1.822 -20.145 -3.216 1.00 0.00 N ATOM 872 CA ASN A 58 -0.815 -19.430 -2.437 1.00 0.00 C ATOM 873 C ASN A 58 -1.245 -17.990 -2.184 1.00 0.00 C ATOM 874 O ASN A 58 -1.762 -17.318 -3.077 1.00 0.00 O ATOM 875 CB ASN A 58 0.532 -19.454 -3.160 1.00 0.00 C ATOM 876 CG ASN A 58 1.656 -18.896 -2.310 1.00 0.00 C ATOM 877 OD1 ASN A 58 1.623 -17.591 -2.070 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 2.542 -19.631 -1.872 1.00 0.00 N flip ATOM 0 H ASN A 58 -2.123 -21.030 -2.807 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.711 -19.933 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.770 -20.479 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.457 -18.877 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.527 -20.629 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.291 -19.242 -1.299 1.00 0.00 H new ATOM 885 N PRO A 59 -1.034 -17.497 -0.954 1.00 0.00 N ATOM 886 CA PRO A 59 -1.398 -16.129 -0.577 1.00 0.00 C ATOM 887 C PRO A 59 -0.897 -15.096 -1.579 1.00 0.00 C ATOM 888 O PRO A 59 0.286 -15.066 -1.913 1.00 0.00 O ATOM 889 CB PRO A 59 -0.710 -15.943 0.777 1.00 0.00 C ATOM 890 CG PRO A 59 -0.608 -17.318 1.339 1.00 0.00 C ATOM 891 CD PRO A 59 -0.421 -18.239 0.162 1.00 0.00 C ATOM 0 HA PRO A 59 -2.478 -15.988 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.274 -15.488 0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.289 -15.290 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.231 -17.395 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.507 -17.578 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.633 -18.445 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.910 -19.200 0.322 1.00 0.00 H new ATOM 899 N CYS A 60 -1.806 -14.250 -2.054 1.00 0.00 N ATOM 900 CA CYS A 60 -1.452 -13.216 -3.019 1.00 0.00 C ATOM 901 C CYS A 60 -1.565 -11.826 -2.397 1.00 0.00 C ATOM 902 O CYS A 60 -2.655 -11.378 -2.045 1.00 0.00 O ATOM 903 CB CYS A 60 -2.351 -13.311 -4.252 1.00 0.00 C ATOM 904 SG CYS A 60 -3.355 -11.836 -4.548 1.00 0.00 S ATOM 0 H CYS A 60 -2.790 -14.260 -1.787 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.416 -13.375 -3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.730 -13.497 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.011 -14.171 -4.142 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.193 -10.997 -3.569 1.00 0.00 H new ATOM 910 N ILE A 61 -0.429 -11.151 -2.274 1.00 0.00 N ATOM 911 CA ILE A 61 -0.388 -9.811 -1.702 1.00 0.00 C ATOM 912 C ILE A 61 -0.060 -8.779 -2.778 1.00 0.00 C ATOM 913 O ILE A 61 0.759 -9.038 -3.661 1.00 0.00 O ATOM 914 CB ILE A 61 0.650 -9.727 -0.569 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.734 -8.705 -0.899 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.267 -11.094 -0.317 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.662 -8.432 0.260 1.00 0.00 C ATOM 0 H ILE A 61 0.480 -11.512 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.373 -9.595 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 61 0.141 -9.400 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.317 -9.064 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.263 -7.772 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.999 -11.020 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.486 -11.799 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.759 -11.444 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.410 -7.697 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.088 -8.045 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.159 -9.357 0.554 1.00 0.00 H new ATOM 929 N LYS A 62 -0.707 -7.618 -2.719 1.00 0.00 N ATOM 930 CA LYS A 62 -0.470 -6.576 -3.715 1.00 0.00 C ATOM 931 C LYS A 62 -0.513 -5.175 -3.110 1.00 0.00 C ATOM 932 O LYS A 62 -1.120 -4.949 -2.065 1.00 0.00 O ATOM 933 CB LYS A 62 -1.497 -6.680 -4.842 1.00 0.00 C ATOM 934 CG LYS A 62 -1.832 -5.344 -5.484 1.00 0.00 C ATOM 935 CD LYS A 62 -2.628 -5.524 -6.764 1.00 0.00 C ATOM 936 CE LYS A 62 -2.714 -4.227 -7.553 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.100 -3.687 -7.587 1.00 0.00 N ATOM 0 H LYS A 62 -1.391 -7.376 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 62 0.533 -6.735 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.117 -7.356 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.411 -7.125 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.402 -4.735 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.911 -4.802 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.162 -6.295 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.632 -5.872 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.047 -3.488 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.366 -4.398 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.159 -2.925 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.763 -4.447 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.349 -3.311 -6.650 1.00 0.00 H new ATOM 951 N HIS A 63 0.135 -4.240 -3.801 1.00 0.00 N ATOM 952 CA HIS A 63 0.193 -2.843 -3.384 1.00 0.00 C ATOM 953 C HIS A 63 -0.437 -1.950 -4.450 1.00 0.00 C ATOM 954 O HIS A 63 -0.494 -2.324 -5.621 1.00 0.00 O ATOM 955 CB HIS A 63 1.643 -2.422 -3.138 1.00 0.00 C ATOM 956 CG HIS A 63 2.621 -3.550 -3.248 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.585 -4.676 -2.456 1.00 0.00 N ATOM 958 CD2 HIS A 63 3.677 -3.714 -4.083 1.00 0.00 C ATOM 959 CE1 HIS A 63 3.597 -5.471 -2.826 1.00 0.00 C ATOM 960 NE2 HIS A 63 4.292 -4.933 -3.811 1.00 0.00 N ATOM 0 H HIS A 63 0.636 -4.432 -4.669 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.366 -2.733 -2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.914 -1.646 -3.854 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.721 -1.980 -2.145 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.991 -3.010 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.816 -6.428 -2.377 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.109 -5.328 -4.276 1.00 0.00 H new ATOM 968 N TYR A 64 -0.901 -0.768 -4.051 1.00 0.00 N ATOM 969 CA TYR A 64 -1.510 0.159 -5.006 1.00 0.00 C ATOM 970 C TYR A 64 -1.240 1.604 -4.635 1.00 0.00 C ATOM 971 O TYR A 64 -1.453 2.020 -3.493 1.00 0.00 O ATOM 972 CB TYR A 64 -3.026 -0.042 -5.120 1.00 0.00 C ATOM 973 CG TYR A 64 -3.598 -1.127 -4.242 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.531 -2.457 -4.629 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.224 -0.821 -3.038 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.070 -3.454 -3.841 1.00 0.00 C ATOM 977 CE2 TYR A 64 -4.760 -1.810 -2.247 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.683 -3.126 -2.652 1.00 0.00 C ATOM 979 OH TYR A 64 -5.222 -4.117 -1.864 1.00 0.00 O ATOM 0 H TYR A 64 -0.869 -0.432 -3.089 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.049 -0.062 -5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.520 0.898 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.269 -0.271 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.050 -2.717 -5.561 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.290 0.209 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.011 -4.486 -4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.239 -1.557 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.950 -3.746 -1.324 1.00 0.00 H new ATOM 989 N HIS A 65 -0.791 2.370 -5.618 1.00 0.00 N ATOM 990 CA HIS A 65 -0.517 3.775 -5.423 1.00 0.00 C ATOM 991 C HIS A 65 -1.811 4.567 -5.515 1.00 0.00 C ATOM 992 O HIS A 65 -2.423 4.629 -6.580 1.00 0.00 O ATOM 993 CB HIS A 65 0.439 4.295 -6.488 1.00 0.00 C ATOM 994 CG HIS A 65 0.210 5.741 -6.757 1.00 0.00 C ATOM 995 ND1 HIS A 65 -0.047 6.273 -8.000 1.00 0.00 N ATOM 996 CD2 HIS A 65 0.154 6.771 -5.886 1.00 0.00 C ATOM 997 CE1 HIS A 65 -0.249 7.589 -7.845 1.00 0.00 C ATOM 998 NE2 HIS A 65 -0.137 7.943 -6.578 1.00 0.00 N ATOM 0 H HIS A 65 -0.609 2.033 -6.564 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.063 3.896 -4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.468 4.141 -6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.307 3.726 -7.408 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.310 6.697 -4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.474 8.271 -8.652 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.242 8.880 -6.188 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.223 5.183 -4.419 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.443 5.970 -4.441 1.00 0.00 C ATOM 1008 C ILE A 66 -3.262 7.168 -5.355 1.00 0.00 C ATOM 1009 O ILE A 66 -2.348 7.973 -5.173 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.876 6.432 -3.038 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -4.681 5.323 -2.357 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.696 7.709 -3.130 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.855 4.107 -1.992 1.00 0.00 C ATOM 0 H ILE A 66 -1.741 5.155 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.238 5.328 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.988 6.641 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.141 5.723 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.491 5.016 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.994 8.023 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.097 8.493 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.585 7.528 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.493 3.364 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.416 3.681 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.061 4.399 -1.305 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.122 7.266 -6.358 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.044 8.348 -7.324 1.00 0.00 C ATOM 1027 C LYS A 67 -4.765 9.583 -6.817 1.00 0.00 C ATOM 1028 O LYS A 67 -5.854 9.491 -6.244 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.646 7.910 -8.660 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.058 6.618 -9.201 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.929 6.029 -10.301 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.269 4.823 -10.949 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.072 4.297 -12.089 1.00 0.00 N ATOM 0 H LYS A 67 -4.883 6.607 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.992 8.596 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.722 7.787 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.496 8.702 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.057 6.807 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.955 5.896 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.894 5.738 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.124 6.789 -11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.275 5.099 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.137 4.038 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.736 3.345 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.074 4.249 -11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.967 4.929 -12.908 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.144 10.738 -7.034 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.713 12.003 -6.610 1.00 0.00 C ATOM 1049 C GLU A 68 -5.636 12.557 -7.688 1.00 0.00 C ATOM 1050 O GLU A 68 -5.426 12.322 -8.877 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.606 13.010 -6.291 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.230 13.048 -4.817 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.806 14.429 -4.361 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -3.631 15.364 -4.452 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -1.650 14.579 -3.912 1.00 0.00 O ATOM 0 H GLU A 68 -3.242 10.819 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.296 11.832 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.721 12.764 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.928 14.004 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.080 12.717 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.418 12.344 -4.634 1.00 0.00 H new ATOM 1062 N THR A 69 -6.663 13.281 -7.265 1.00 0.00 N ATOM 1063 CA THR A 69 -7.621 13.851 -8.196 1.00 0.00 C ATOM 1064 C THR A 69 -7.918 15.307 -7.863 1.00 0.00 C ATOM 1065 O THR A 69 -7.069 16.018 -7.324 1.00 0.00 O ATOM 1066 CB THR A 69 -8.909 13.029 -8.175 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.973 13.773 -7.609 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.774 11.746 -7.385 1.00 0.00 C ATOM 0 H THR A 69 -6.852 13.486 -6.284 1.00 0.00 H new ATOM 0 HA THR A 69 -7.188 13.822 -9.196 1.00 0.00 H new ATOM 0 HB THR A 69 -9.116 12.782 -9.216 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.805 13.566 -8.083 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.720 11.205 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.992 11.128 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.512 11.980 -6.353 1.00 0.00 H new ATOM 1076 N ASN A 70 -9.127 15.744 -8.192 1.00 0.00 N ATOM 1077 CA ASN A 70 -9.538 17.118 -7.933 1.00 0.00 C ATOM 1078 C ASN A 70 -10.415 17.203 -6.693 1.00 0.00 C ATOM 1079 O ASN A 70 -10.014 17.759 -5.671 1.00 0.00 O ATOM 1080 CB ASN A 70 -10.287 17.682 -9.141 1.00 0.00 C ATOM 1081 CG ASN A 70 -10.340 19.197 -9.132 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -10.233 19.827 -8.080 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -10.507 19.791 -10.308 1.00 0.00 N ATOM 0 H ASN A 70 -9.840 15.167 -8.639 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.640 17.711 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.802 17.344 -10.056 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.302 17.286 -9.153 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.551 20.809 -10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.591 19.230 -11.155 1.00 0.00 H new ATOM 1090 N ASP A 71 -11.616 16.655 -6.801 1.00 0.00 N ATOM 1091 CA ASP A 71 -12.570 16.671 -5.698 1.00 0.00 C ATOM 1092 C ASP A 71 -11.923 17.233 -4.440 1.00 0.00 C ATOM 1093 O ASP A 71 -10.995 16.641 -3.889 1.00 0.00 O ATOM 1094 CB ASP A 71 -13.101 15.266 -5.430 1.00 0.00 C ATOM 1095 CG ASP A 71 -13.411 14.509 -6.706 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -12.487 13.881 -7.264 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -14.580 14.544 -7.147 1.00 0.00 O ATOM 0 H ASP A 71 -11.956 16.192 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.405 17.313 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.366 14.708 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.003 15.332 -4.822 1.00 0.00 H new ATOM 1102 N SER A 72 -12.411 18.384 -3.995 1.00 0.00 N ATOM 1103 CA SER A 72 -11.873 19.029 -2.809 1.00 0.00 C ATOM 1104 C SER A 72 -12.462 18.446 -1.525 1.00 0.00 C ATOM 1105 O SER A 72 -13.583 18.781 -1.147 1.00 0.00 O ATOM 1106 CB SER A 72 -12.140 20.534 -2.863 1.00 0.00 C ATOM 1107 OG SER A 72 -13.470 20.831 -2.473 1.00 0.00 O ATOM 0 H SER A 72 -13.178 18.888 -4.439 1.00 0.00 H new ATOM 0 HA SER A 72 -10.799 18.846 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.441 21.054 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.963 20.902 -3.874 1.00 0.00 H new ATOM 0 HG SER A 72 -13.932 20.002 -2.230 1.00 0.00 H new ATOM 1113 N PRO A 73 -11.722 17.562 -0.836 1.00 0.00 N ATOM 1114 CA PRO A 73 -10.393 17.115 -1.216 1.00 0.00 C ATOM 1115 C PRO A 73 -10.390 15.693 -1.788 1.00 0.00 C ATOM 1116 O PRO A 73 -9.350 15.038 -1.832 1.00 0.00 O ATOM 1117 CB PRO A 73 -9.700 17.122 0.143 1.00 0.00 C ATOM 1118 CG PRO A 73 -10.781 16.752 1.127 1.00 0.00 C ATOM 1119 CD PRO A 73 -12.112 16.915 0.414 1.00 0.00 C ATOM 0 HA PRO A 73 -9.936 17.728 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.877 16.407 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.279 18.102 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.652 15.726 1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.735 17.393 2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.600 15.956 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.808 17.527 0.988 1.00 0.00 H new ATOM 1127 N LYS A 74 -11.566 15.216 -2.198 1.00 0.00 N ATOM 1128 CA LYS A 74 -11.712 13.861 -2.739 1.00 0.00 C ATOM 1129 C LYS A 74 -10.742 13.586 -3.888 1.00 0.00 C ATOM 1130 O LYS A 74 -11.164 13.263 -4.998 1.00 0.00 O ATOM 1131 CB LYS A 74 -13.149 13.638 -3.212 1.00 0.00 C ATOM 1132 CG LYS A 74 -13.974 12.779 -2.268 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.109 12.079 -2.998 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.207 12.540 -4.444 1.00 0.00 C ATOM 1135 NZ LYS A 74 -14.292 11.772 -5.334 1.00 0.00 N ATOM 0 H LYS A 74 -12.435 15.749 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.473 13.165 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.638 14.605 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.130 13.168 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.331 12.036 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.382 13.401 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.952 11.001 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.051 12.279 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.233 12.426 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.966 13.601 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.537 12.398 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.871 10.984 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.828 11.397 -6.142 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.444 13.723 -3.626 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.440 13.494 -4.660 1.00 0.00 C ATOM 1151 C ARG A 75 -7.673 12.179 -4.505 1.00 0.00 C ATOM 1152 O ARG A 75 -6.496 12.120 -4.844 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.440 14.638 -4.689 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.836 15.831 -3.835 1.00 0.00 C ATOM 1155 CD ARG A 75 -6.960 15.949 -2.597 1.00 0.00 C ATOM 1156 NE ARG A 75 -5.946 14.900 -2.538 1.00 0.00 N ATOM 1157 CZ ARG A 75 -4.691 15.107 -2.153 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -4.296 16.322 -1.796 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -3.830 14.100 -2.120 1.00 0.00 N ATOM 0 H ARG A 75 -9.066 13.989 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.997 13.434 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.472 14.268 -4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.313 14.969 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.757 16.744 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.879 15.734 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.473 16.924 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.585 15.899 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.216 13.954 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.956 17.099 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.332 16.479 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.130 13.163 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.867 14.262 -1.824 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.304 11.132 -3.987 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.604 9.866 -3.808 1.00 0.00 C ATOM 1175 C TYR A 76 -8.289 8.726 -4.522 1.00 0.00 C ATOM 1176 O TYR A 76 -9.469 8.455 -4.301 1.00 0.00 O ATOM 1177 CB TYR A 76 -7.498 9.522 -2.335 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.986 10.658 -1.508 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -7.345 11.958 -1.805 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.149 10.428 -0.441 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.885 13.011 -1.057 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.673 11.472 0.325 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.044 12.769 0.014 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.575 13.818 0.771 1.00 0.00 O ATOM 0 H TYR A 76 -9.279 11.132 -3.689 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.612 9.996 -4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.479 9.223 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.837 8.664 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.000 12.149 -2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.860 9.416 -0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.177 14.021 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.016 11.279 1.160 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.725 13.629 1.721 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.531 8.037 -5.356 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.075 6.895 -6.071 1.00 0.00 C ATOM 1196 C TYR A 77 -7.000 5.930 -6.532 1.00 0.00 C ATOM 1197 O TYR A 77 -5.985 6.325 -7.103 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.875 7.344 -7.291 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.020 7.874 -8.421 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.383 9.102 -8.310 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.848 7.149 -9.601 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.601 9.598 -9.334 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.064 7.640 -10.630 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.444 8.864 -10.491 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.665 9.354 -11.513 1.00 0.00 O ATOM 0 H TYR A 77 -6.552 8.243 -5.554 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.724 6.380 -5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.464 6.503 -7.657 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.579 8.118 -6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.501 9.680 -7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.334 6.191 -9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.114 10.556 -9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.938 7.068 -11.537 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.658 8.714 -12.255 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.286 4.652 -6.352 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.410 3.601 -6.819 1.00 0.00 C ATOM 1217 C VAL A 78 -7.253 2.700 -7.698 1.00 0.00 C ATOM 1218 O VAL A 78 -7.323 1.484 -7.524 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.805 2.804 -5.649 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.384 3.265 -5.372 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.671 2.961 -4.410 1.00 0.00 C ATOM 0 H VAL A 78 -8.127 4.319 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.569 4.023 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.774 1.749 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.971 2.692 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.772 3.110 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.389 4.324 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.235 2.394 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.726 4.014 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.674 2.587 -4.617 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.905 3.370 -8.635 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.802 2.764 -9.601 1.00 0.00 C ATOM 1233 C ALA A 79 -9.427 3.879 -10.433 1.00 0.00 C ATOM 1234 O ALA A 79 -9.390 5.038 -10.032 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.860 1.925 -8.906 1.00 0.00 C ATOM 0 H ALA A 79 -7.821 4.380 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.250 2.089 -10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.520 1.481 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.378 1.134 -8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.443 2.557 -8.235 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.979 3.555 -11.587 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.562 4.580 -12.437 1.00 0.00 C ATOM 1243 C GLU A 80 -12.020 4.855 -12.102 1.00 0.00 C ATOM 1244 O GLU A 80 -12.914 4.671 -12.927 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.410 4.211 -13.908 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.570 2.964 -14.134 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.670 3.079 -15.348 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.686 4.143 -16.000 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.947 2.104 -15.647 1.00 0.00 O ATOM 0 H GLU A 80 -10.037 2.605 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.012 5.501 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.399 4.057 -14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.956 5.047 -14.440 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.960 2.777 -13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.229 2.104 -14.255 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.234 5.334 -10.888 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.567 5.687 -10.416 1.00 0.00 C ATOM 1258 C LYS A 81 -13.586 5.815 -8.895 1.00 0.00 C ATOM 1259 O LYS A 81 -14.475 6.448 -8.327 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.604 4.666 -10.888 1.00 0.00 C ATOM 1261 CG LYS A 81 -14.102 3.235 -10.897 1.00 0.00 C ATOM 1262 CD LYS A 81 -14.806 2.408 -9.840 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.666 3.044 -8.470 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.914 3.739 -8.049 1.00 0.00 N ATOM 0 H LYS A 81 -11.494 5.489 -10.203 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.830 6.655 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.480 4.729 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.929 4.932 -11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.268 2.794 -11.880 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.027 3.221 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.862 2.310 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.388 1.402 -9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.413 2.277 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.841 3.756 -8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.700 4.732 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.610 3.700 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.305 3.271 -7.207 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.590 5.219 -8.245 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.484 5.276 -6.789 1.00 0.00 C ATOM 1280 C TYR A 82 -11.647 6.477 -6.352 1.00 0.00 C ATOM 1281 O TYR A 82 -10.486 6.327 -5.983 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.851 3.994 -6.240 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.405 2.721 -6.836 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.217 2.418 -8.177 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.107 1.816 -6.051 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.712 1.249 -8.720 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.608 0.644 -6.586 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.407 0.366 -7.922 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.903 -0.800 -8.461 1.00 0.00 O ATOM 0 H TYR A 82 -11.846 4.692 -8.702 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.493 5.378 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.776 4.028 -6.420 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.993 3.967 -5.160 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.675 3.108 -8.806 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.264 2.031 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.555 1.028 -9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.153 -0.049 -5.962 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.327 -1.090 -9.199 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.247 7.662 -6.383 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.566 8.882 -5.981 1.00 0.00 C ATOM 1301 C VAL A 83 -12.118 9.357 -4.647 1.00 0.00 C ATOM 1302 O VAL A 83 -13.332 9.378 -4.445 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.728 9.986 -7.042 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -11.236 11.321 -6.506 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.993 9.604 -8.322 1.00 0.00 C ATOM 0 H VAL A 83 -13.211 7.801 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.502 8.666 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.787 10.090 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.359 12.088 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.814 11.594 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.182 11.240 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.117 10.394 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.933 9.471 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.403 8.673 -8.713 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.232 9.711 -3.726 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.673 10.149 -2.406 1.00 0.00 C ATOM 1317 C PHE A 84 -10.744 11.201 -1.811 1.00 0.00 C ATOM 1318 O PHE A 84 -9.606 11.355 -2.241 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.786 8.948 -1.469 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.330 7.719 -2.138 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.544 6.982 -3.007 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.630 7.301 -1.899 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.042 5.851 -3.626 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.133 6.171 -2.512 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.338 5.444 -3.378 1.00 0.00 C ATOM 0 H PHE A 84 -10.221 9.705 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.653 10.613 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.802 8.723 -1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.430 9.211 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.529 7.295 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.257 7.866 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.418 5.286 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.147 5.855 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.729 4.560 -3.859 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.253 11.927 -0.819 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.490 12.977 -0.155 1.00 0.00 C ATOM 1337 C ASP A 85 -9.543 12.414 0.897 1.00 0.00 C ATOM 1338 O ASP A 85 -8.900 13.169 1.628 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.438 13.984 0.492 1.00 0.00 C ATOM 1340 CG ASP A 85 -12.892 13.569 0.376 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -13.192 12.381 0.621 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -13.732 14.430 0.040 1.00 0.00 O ATOM 0 H ASP A 85 -12.198 11.805 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.887 13.473 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.179 14.098 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.303 14.959 0.023 1.00 0.00 H new ATOM 1347 N SER A 86 -9.462 11.093 0.987 1.00 0.00 N ATOM 1348 CA SER A 86 -8.597 10.457 1.967 1.00 0.00 C ATOM 1349 C SER A 86 -8.196 9.054 1.535 1.00 0.00 C ATOM 1350 O SER A 86 -9.046 8.202 1.264 1.00 0.00 O ATOM 1351 CB SER A 86 -9.296 10.400 3.328 1.00 0.00 C ATOM 1352 OG SER A 86 -8.753 11.356 4.221 1.00 0.00 O ATOM 0 H SER A 86 -9.983 10.445 0.396 1.00 0.00 H new ATOM 0 HA SER A 86 -7.691 11.057 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.363 10.582 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.192 9.401 3.752 1.00 0.00 H new ATOM 0 HG SER A 86 -8.617 12.204 3.749 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.895 8.802 1.505 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.409 7.489 1.139 1.00 0.00 C ATOM 1360 C ILE A 87 -7.004 6.476 2.099 1.00 0.00 C ATOM 1361 O ILE A 87 -7.390 5.371 1.714 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.876 7.399 1.219 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.212 8.686 0.717 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.381 6.202 0.430 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.966 8.702 -0.776 1.00 0.00 C ATOM 0 H ILE A 87 -6.169 9.483 1.727 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.704 7.290 0.109 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.600 7.272 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.841 9.536 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.262 8.820 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.294 6.148 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.814 5.290 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.678 6.306 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.494 9.644 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.311 7.873 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.915 8.601 -1.302 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.101 6.872 3.374 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.671 6.038 4.431 1.00 0.00 C ATOM 1379 C PRO A 88 -9.142 5.761 4.172 1.00 0.00 C ATOM 1380 O PRO A 88 -9.593 4.616 4.249 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.495 6.880 5.699 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.482 7.915 5.341 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.675 8.180 3.880 1.00 0.00 C ATOM 0 HA PRO A 88 -7.189 5.063 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.437 7.338 6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.155 6.268 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.626 8.823 5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.471 7.561 5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.428 8.948 3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.755 8.519 3.404 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.885 6.808 3.821 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.293 6.645 3.508 1.00 0.00 C ATOM 1393 C LEU A 89 -11.381 5.812 2.252 1.00 0.00 C ATOM 1394 O LEU A 89 -12.137 4.840 2.176 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.992 8.003 3.352 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.418 8.392 1.933 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.227 8.911 1.145 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.074 7.223 1.215 1.00 0.00 C ATOM 0 H LEU A 89 -9.537 7.764 3.748 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.811 6.140 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.878 8.006 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.324 8.776 3.732 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.157 9.190 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.547 9.183 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.815 9.788 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.464 8.135 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.365 7.530 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.370 6.394 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.958 6.906 1.768 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.534 6.154 1.291 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.453 5.385 0.069 1.00 0.00 C ATOM 1412 C LEU A 90 -10.024 3.979 0.469 1.00 0.00 C ATOM 1413 O LEU A 90 -10.550 2.971 -0.020 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.454 6.023 -0.899 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.532 5.047 -1.619 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.127 5.600 -2.979 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.308 4.758 -0.764 1.00 0.00 C ATOM 0 H LEU A 90 -9.901 6.952 1.338 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.411 5.357 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.009 6.591 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.842 6.735 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.067 4.112 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.469 4.890 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.018 5.759 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.605 6.547 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.655 4.059 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.769 5.686 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.621 4.321 0.184 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.111 3.934 1.443 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.652 2.676 2.000 1.00 0.00 C ATOM 1431 C ILE A 91 -9.869 1.970 2.563 1.00 0.00 C ATOM 1432 O ILE A 91 -10.091 0.786 2.319 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.631 2.891 3.142 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.191 2.621 2.686 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.978 2.008 4.330 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.063 2.061 1.288 1.00 0.00 C ATOM 0 H ILE A 91 -8.679 4.760 1.857 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.158 2.095 1.221 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.690 3.938 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.626 3.552 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.728 1.924 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.252 2.169 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.975 2.260 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.956 0.962 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.010 1.903 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.595 1.112 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.492 2.764 0.574 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.684 2.742 3.284 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.917 2.226 3.848 1.00 0.00 C ATOM 1450 C GLN A 92 -12.812 1.767 2.716 1.00 0.00 C ATOM 1451 O GLN A 92 -13.431 0.707 2.775 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.621 3.295 4.685 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.130 3.314 4.505 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.782 4.511 5.167 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -14.912 4.565 6.391 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -15.197 5.481 4.360 1.00 0.00 N ATOM 0 H GLN A 92 -10.506 3.726 3.487 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.692 1.387 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.391 3.130 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.220 4.274 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.365 3.320 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.553 2.399 4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.069 5.395 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.643 6.312 4.749 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.846 2.565 1.660 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.635 2.227 0.490 1.00 0.00 C ATOM 1467 C TYR A 93 -13.102 0.940 -0.111 1.00 0.00 C ATOM 1468 O TYR A 93 -13.858 0.109 -0.614 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.588 3.354 -0.543 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.524 3.138 -1.711 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.204 2.246 -2.727 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.730 3.824 -1.795 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.059 2.045 -3.795 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.589 3.628 -2.860 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.249 2.738 -3.856 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.103 2.540 -4.918 1.00 0.00 O ATOM 0 H TYR A 93 -12.338 3.447 1.591 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.675 2.091 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.840 4.295 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.569 3.452 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.273 1.701 -2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.000 4.521 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.796 1.349 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.522 4.170 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.897 3.103 -4.809 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.785 0.787 -0.042 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.124 -0.402 -0.569 1.00 0.00 C ATOM 1488 C HIS A 94 -11.446 -1.637 0.275 1.00 0.00 C ATOM 1489 O HIS A 94 -11.189 -2.763 -0.138 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.610 -0.179 -0.649 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.227 0.806 -1.704 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.358 0.553 -3.053 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -8.722 2.056 -1.604 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -8.950 1.604 -3.738 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -8.558 2.531 -2.881 1.00 0.00 N ATOM 0 H HIS A 94 -11.153 1.471 0.374 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.503 -0.581 -1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.247 0.171 0.317 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.117 -1.130 -0.850 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.715 -0.312 -3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.491 2.583 -0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.938 1.692 -4.814 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.019 -1.436 1.456 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.374 -2.566 2.312 1.00 0.00 C ATOM 1506 C GLN A 95 -13.888 -2.693 2.430 1.00 0.00 C ATOM 1507 O GLN A 95 -14.408 -3.749 2.790 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.757 -2.429 3.708 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.390 -1.011 4.094 1.00 0.00 C ATOM 1510 CD GLN A 95 -12.466 -0.370 4.936 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.682 -0.399 4.421 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -12.209 0.140 6.027 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.245 -0.518 1.840 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.972 -3.466 1.847 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.460 -2.822 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.862 -3.049 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.450 -1.015 4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.230 -0.418 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.252 0.136 6.379 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.953 0.567 6.578 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.583 -1.607 2.128 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.035 -1.580 2.204 1.00 0.00 C ATOM 1523 C TYR A 96 -16.665 -2.104 0.917 1.00 0.00 C ATOM 1524 O TYR A 96 -17.624 -2.873 0.948 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.526 -0.160 2.484 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.899 0.130 1.918 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.883 -0.851 1.894 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.210 1.385 1.408 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.138 -0.590 1.378 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.462 1.653 0.890 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.423 0.663 0.878 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.672 0.927 0.362 1.00 0.00 O ATOM 0 H TYR A 96 -14.162 -0.728 1.826 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.339 -2.232 3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.545 0.003 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.813 0.551 2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.663 -1.833 2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.461 2.163 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.892 -1.363 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.688 2.633 0.496 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.708 1.856 0.053 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.117 -1.672 -0.208 1.00 0.00 N ATOM 1543 CA ASN A 97 -16.614 -2.077 -1.515 1.00 0.00 C ATOM 1544 C ASN A 97 -15.864 -3.297 -2.040 1.00 0.00 C ATOM 1545 O ASN A 97 -15.305 -4.077 -1.271 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.487 -0.923 -2.511 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.176 0.338 -2.026 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.617 0.959 -0.994 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -18.200 0.748 -2.573 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.321 -1.035 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.665 -2.344 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.432 -0.713 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.916 -1.223 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.595 0.239 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.653 1.597 -2.236 1.00 0.00 H new ATOM 1556 N GLY A 98 -15.864 -3.449 -3.357 1.00 0.00 N ATOM 1557 CA GLY A 98 -15.183 -4.571 -3.979 1.00 0.00 C ATOM 1558 C GLY A 98 -13.912 -4.148 -4.695 1.00 0.00 C ATOM 1559 O GLY A 98 -12.839 -4.696 -4.442 1.00 0.00 O ATOM 0 H GLY A 98 -16.324 -2.814 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.939 -5.312 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.855 -5.052 -4.690 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.036 -3.167 -5.583 1.00 0.00 N ATOM 1564 CA GLY A 99 -12.885 -2.678 -6.320 1.00 0.00 C ATOM 1565 C GLY A 99 -12.059 -3.794 -6.931 1.00 0.00 C ATOM 1566 O GLY A 99 -12.468 -4.955 -6.922 1.00 0.00 O ATOM 0 H GLY A 99 -14.915 -2.701 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.224 -2.008 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.255 -2.090 -5.652 1.00 0.00 H new ATOM 1570 N GLY A 100 -10.894 -3.438 -7.464 1.00 0.00 N ATOM 1571 CA GLY A 100 -10.023 -4.422 -8.077 1.00 0.00 C ATOM 1572 C GLY A 100 -8.852 -4.795 -7.190 1.00 0.00 C ATOM 1573 O GLY A 100 -8.731 -5.942 -6.759 1.00 0.00 O ATOM 0 H GLY A 100 -10.538 -2.482 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.599 -5.318 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.648 -4.031 -9.023 1.00 0.00 H new ATOM 1577 N LEU A 101 -7.987 -3.824 -6.915 1.00 0.00 N ATOM 1578 CA LEU A 101 -6.817 -4.053 -6.072 1.00 0.00 C ATOM 1579 C LEU A 101 -6.984 -5.322 -5.243 1.00 0.00 C ATOM 1580 O LEU A 101 -8.070 -5.602 -4.737 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.590 -2.854 -5.145 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.840 -2.024 -4.840 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.627 -1.174 -3.594 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -8.199 -1.145 -6.028 1.00 0.00 C ATOM 0 H LEU A 101 -8.074 -2.869 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.950 -4.175 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.174 -3.215 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.841 -2.203 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.668 -2.707 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.526 -0.591 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.417 -1.822 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.785 -0.500 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.090 -0.562 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.371 -0.470 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.394 -1.772 -6.898 1.00 0.00 H new ATOM 1596 N VAL A 102 -5.905 -6.088 -5.101 1.00 0.00 N ATOM 1597 CA VAL A 102 -5.950 -7.322 -4.324 1.00 0.00 C ATOM 1598 C VAL A 102 -6.989 -7.213 -3.217 1.00 0.00 C ATOM 1599 O VAL A 102 -6.667 -6.858 -2.083 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.579 -7.648 -3.698 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.044 -6.453 -2.925 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.681 -8.868 -2.795 1.00 0.00 C ATOM 0 H VAL A 102 -4.995 -5.877 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.220 -8.126 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.880 -7.874 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.076 -6.704 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -3.930 -5.605 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.742 -6.193 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.704 -9.083 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.396 -8.671 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.016 -9.726 -3.379 1.00 0.00 H new ATOM 1612 N THR A 103 -8.241 -7.498 -3.556 1.00 0.00 N ATOM 1613 CA THR A 103 -9.324 -7.408 -2.588 1.00 0.00 C ATOM 1614 C THR A 103 -9.325 -6.030 -1.943 1.00 0.00 C ATOM 1615 O THR A 103 -9.615 -5.881 -0.756 1.00 0.00 O ATOM 1616 CB THR A 103 -9.180 -8.491 -1.518 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.431 -8.770 -0.914 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.211 -8.118 -0.416 1.00 0.00 C ATOM 0 H THR A 103 -8.529 -7.792 -4.489 1.00 0.00 H new ATOM 0 HA THR A 103 -10.271 -7.561 -3.106 1.00 0.00 H new ATOM 0 HB THR A 103 -8.791 -9.364 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.318 -9.466 -0.234 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.156 -8.929 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.223 -7.945 -0.843 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.556 -7.211 0.080 1.00 0.00 H new ATOM 1626 N ARG A 104 -8.986 -5.023 -2.743 1.00 0.00 N ATOM 1627 CA ARG A 104 -8.930 -3.648 -2.268 1.00 0.00 C ATOM 1628 C ARG A 104 -8.234 -3.578 -0.911 1.00 0.00 C ATOM 1629 O ARG A 104 -7.081 -3.986 -0.780 1.00 0.00 O ATOM 1630 CB ARG A 104 -10.338 -3.060 -2.177 1.00 0.00 C ATOM 1631 CG ARG A 104 -10.969 -2.762 -3.527 1.00 0.00 C ATOM 1632 CD ARG A 104 -12.244 -1.949 -3.376 1.00 0.00 C ATOM 1633 NE ARG A 104 -12.813 -2.067 -2.037 1.00 0.00 N ATOM 1634 CZ ARG A 104 -13.079 -3.228 -1.447 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -12.856 -4.366 -2.089 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -13.571 -3.251 -0.216 1.00 0.00 N ATOM 0 H ARG A 104 -8.745 -5.137 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.353 -3.059 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.977 -3.756 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.300 -2.140 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.260 -2.217 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.191 -3.697 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.033 -0.901 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.976 -2.283 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.018 -1.209 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.480 -4.351 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.061 -5.256 -1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.746 -2.377 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.775 -4.143 0.235 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.935 -3.069 0.099 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.376 -2.966 1.428 1.00 0.00 C ATOM 1652 C LEU A 105 -9.128 -3.876 2.390 1.00 0.00 C ATOM 1653 O LEU A 105 -10.353 -3.858 2.440 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.434 -1.517 1.921 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.253 -0.634 1.508 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.105 -0.760 2.501 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.784 -0.990 0.106 1.00 0.00 C ATOM 0 H LEU A 105 -9.891 -2.724 0.014 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.333 -3.281 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.353 -1.062 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.497 -1.524 3.009 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.590 0.402 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.279 -0.123 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.444 -0.451 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.770 -1.796 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.944 -0.352 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.470 -2.034 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.601 -0.840 -0.600 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.392 -4.680 3.145 1.00 0.00 N ATOM 1670 CA ARG A 106 -9.001 -5.594 4.096 1.00 0.00 C ATOM 1671 C ARG A 106 -8.461 -5.362 5.503 1.00 0.00 C ATOM 1672 O ARG A 106 -9.185 -4.925 6.397 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.756 -7.043 3.673 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.945 -7.683 2.977 1.00 0.00 C ATOM 1675 CD ARG A 106 -11.098 -7.913 3.940 1.00 0.00 C ATOM 1676 NE ARG A 106 -12.274 -7.123 3.585 1.00 0.00 N ATOM 1677 CZ ARG A 106 -13.312 -7.610 2.915 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -13.320 -8.880 2.529 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -14.346 -6.830 2.630 1.00 0.00 N ATOM 0 H ARG A 106 -7.373 -4.716 3.116 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.074 -5.403 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.894 -7.077 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.501 -7.632 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.276 -7.044 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.642 -8.633 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.360 -8.971 3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.782 -7.658 4.951 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.299 -6.143 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.528 -9.484 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.118 -9.252 2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.345 -5.854 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.142 -7.206 2.115 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.186 -5.678 5.688 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.529 -5.528 6.983 1.00 0.00 C ATOM 1695 C TYR A 107 -5.243 -4.715 6.870 1.00 0.00 C ATOM 1696 O TYR A 107 -4.371 -5.021 6.057 1.00 0.00 O ATOM 1697 CB TYR A 107 -6.203 -6.907 7.556 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.619 -6.864 8.950 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.317 -6.276 9.998 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.370 -7.410 9.219 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.787 -6.233 11.273 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.833 -7.372 10.492 1.00 0.00 C ATOM 1703 CZ TYR A 107 -4.546 -6.783 11.515 1.00 0.00 C ATOM 1704 OH TYR A 107 -4.014 -6.742 12.784 1.00 0.00 O ATOM 0 H TYR A 107 -6.581 -6.043 4.952 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.213 -4.996 7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.112 -7.508 7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.499 -7.409 6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.290 -5.845 9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.809 -7.872 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.342 -5.771 12.076 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.861 -7.801 10.684 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.134 -7.174 12.784 1.00 0.00 H new ATOM 1714 N PRO A 108 -5.103 -3.665 7.691 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.918 -2.810 7.694 1.00 0.00 C ATOM 1716 C PRO A 108 -2.746 -3.455 8.424 1.00 0.00 C ATOM 1717 O PRO A 108 -2.721 -3.507 9.653 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.370 -1.555 8.451 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.828 -1.739 8.729 1.00 0.00 C ATOM 1720 CD PRO A 108 -6.081 -3.219 8.683 1.00 0.00 C ATOM 0 HA PRO A 108 -3.567 -2.612 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.809 -1.436 9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.197 -0.658 7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.093 -1.329 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.434 -1.217 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.922 -3.690 9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.103 -3.449 8.381 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.773 -3.945 7.663 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.603 -4.580 8.247 1.00 0.00 C ATOM 1730 C VAL A 109 0.487 -3.558 8.544 1.00 0.00 C ATOM 1731 O VAL A 109 1.677 -3.871 8.492 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.035 -5.671 7.322 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.500 -5.059 6.037 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.051 -6.464 8.037 1.00 0.00 C ATOM 0 H VAL A 109 -1.774 -3.914 6.643 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.926 -5.041 9.180 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.842 -6.356 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.897 -5.847 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.306 -4.541 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.293 -4.350 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.441 -7.231 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.858 -5.793 8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.632 -6.936 8.925 1.00 0.00 H new ATOM 1744 N CYS A 110 0.076 -2.330 8.853 1.00 0.00 N ATOM 1745 CA CYS A 110 1.021 -1.263 9.157 1.00 0.00 C ATOM 1746 C CYS A 110 2.189 -1.789 9.983 1.00 0.00 C ATOM 1747 O CYS A 110 2.081 -1.951 11.198 1.00 0.00 O ATOM 1748 CB CYS A 110 0.319 -0.130 9.909 1.00 0.00 C ATOM 1749 SG CYS A 110 1.310 0.603 11.232 1.00 0.00 S ATOM 0 H CYS A 110 -0.904 -2.051 8.899 1.00 0.00 H new ATOM 0 HA CYS A 110 1.410 -0.878 8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.048 0.650 9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.610 -0.511 10.334 1.00 0.00 H new ATOM 0 HG CYS A 110 1.883 -0.341 11.919 1.00 0.00 H new ATOM 1755 N GLY A 111 3.307 -2.054 9.316 1.00 0.00 N ATOM 1756 CA GLY A 111 4.481 -2.559 10.005 1.00 0.00 C ATOM 1757 C GLY A 111 5.774 -2.057 9.394 1.00 0.00 C ATOM 1758 O GLY A 111 6.447 -1.220 10.032 1.00 0.00 O ATOM 0 H GLY A 111 3.422 -1.928 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.439 -2.262 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.471 -3.649 9.982 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 5.957 1.264 -12.325 1.00 0.00 C HETATM 1764 O ACE B 118 6.109 1.688 -11.180 1.00 0.00 O HETATM 1765 CH3 ACE B 118 6.092 -0.209 -12.629 1.00 0.00 C HETATM 0 H1 ACE B 118 5.154 -0.583 -13.040 1.00 0.00 H new HETATM 0 H2 ACE B 118 6.892 -0.359 -13.354 1.00 0.00 H new HETATM 0 H3 ACE B 118 6.327 -0.750 -11.712 1.00 0.00 H new ATOM 1769 N ALA B 119 5.675 2.052 -13.358 1.00 0.00 N ATOM 1770 CA ALA B 119 5.521 3.493 -13.200 1.00 0.00 C ATOM 1771 C ALA B 119 4.183 3.834 -12.553 1.00 0.00 C ATOM 1772 O ALA B 119 4.131 4.549 -11.552 1.00 0.00 O ATOM 1773 CB ALA B 119 5.650 4.188 -14.547 1.00 0.00 C ATOM 0 H ALA B 119 5.549 1.716 -14.313 1.00 0.00 H new ATOM 0 HA ALA B 119 6.314 3.849 -12.542 1.00 0.00 H new ATOM 0 HB1 ALA B 119 5.533 5.264 -14.414 1.00 0.00 H new ATOM 0 HB2 ALA B 119 6.632 3.980 -14.971 1.00 0.00 H new ATOM 0 HB3 ALA B 119 4.877 3.820 -15.222 1.00 0.00 H new ATOM 1779 N ASP B 120 3.104 3.319 -13.130 1.00 0.00 N ATOM 1780 CA ASP B 120 1.765 3.569 -12.609 1.00 0.00 C ATOM 1781 C ASP B 120 1.681 3.208 -11.129 1.00 0.00 C ATOM 1782 O ASP B 120 0.723 3.568 -10.445 1.00 0.00 O ATOM 1783 CB ASP B 120 0.729 2.771 -13.401 1.00 0.00 C ATOM 1784 CG ASP B 120 1.326 1.542 -14.061 1.00 0.00 C ATOM 1785 OD1 ASP B 120 1.828 1.665 -15.197 1.00 0.00 O ATOM 1786 OD2 ASP B 120 1.291 0.459 -13.441 1.00 0.00 O ATOM 0 H ASP B 120 3.130 2.725 -13.959 1.00 0.00 H new ATOM 0 HA ASP B 120 1.553 4.633 -12.717 1.00 0.00 H new ATOM 0 HB2 ASP B 120 -0.078 2.466 -12.734 1.00 0.00 H new ATOM 0 HB3 ASP B 120 0.287 3.411 -14.164 1.00 0.00 H new HETATM 1791 N PTR B 121 2.691 2.493 -10.643 1.00 0.00 N HETATM 1792 CA PTR B 121 2.731 2.083 -9.245 1.00 0.00 C HETATM 1793 C PTR B 121 2.018 0.748 -9.047 1.00 0.00 C HETATM 1794 O PTR B 121 1.831 0.294 -7.919 1.00 0.00 O HETATM 1795 CB PTR B 121 2.088 3.151 -8.358 1.00 0.00 C HETATM 1796 CG PTR B 121 2.842 3.400 -7.072 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.574 2.650 -5.932 1.00 0.00 C HETATM 1798 CD2 PTR B 121 3.822 4.382 -7.000 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.261 2.873 -4.756 1.00 0.00 C HETATM 1800 CE2 PTR B 121 4.516 4.615 -5.829 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.234 3.857 -4.708 1.00 0.00 C HETATM 1802 OH PTR B 121 4.921 4.083 -3.538 1.00 0.00 O HETATM 1803 P PTR B 121 5.848 2.810 -3.204 1.00 0.00 P HETATM 1804 O1P PTR B 121 5.561 1.561 -4.177 1.00 0.00 O HETATM 1805 O2P PTR B 121 5.621 2.496 -1.776 1.00 0.00 O HETATM 1806 O3P PTR B 121 7.361 3.273 -3.503 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.281 5.391 -5.789 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.039 2.278 -3.870 1.00 0.00 H new HETATM 0 HD2 PTR B 121 4.047 4.979 -7.884 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.809 1.874 -5.968 1.00 0.00 H new HETATM 0 HB3 PTR B 121 2.021 4.084 -8.917 1.00 0.00 H new HETATM 0 HB2 PTR B 121 1.068 2.848 -8.119 1.00 0.00 H new HETATM 0 HA PTR B 121 3.776 1.963 -8.960 1.00 0.00 H new ATOM 1815 N GLU B 122 1.619 0.129 -10.154 1.00 0.00 N ATOM 1816 CA GLU B 122 0.921 -1.149 -10.102 1.00 0.00 C ATOM 1817 C GLU B 122 -0.318 -1.049 -9.218 1.00 0.00 C ATOM 1818 O GLU B 122 -0.641 -1.975 -8.474 1.00 0.00 O ATOM 1819 CB GLU B 122 1.851 -2.244 -9.576 1.00 0.00 C ATOM 1820 CG GLU B 122 1.663 -2.542 -8.096 1.00 0.00 C ATOM 1821 CD GLU B 122 2.877 -3.206 -7.476 1.00 0.00 C ATOM 1822 OE1 GLU B 122 2.998 -4.444 -7.585 1.00 0.00 O ATOM 1823 OE2 GLU B 122 3.708 -2.486 -6.884 1.00 0.00 O ATOM 0 H GLU B 122 1.767 0.492 -11.096 1.00 0.00 H new ATOM 0 HA GLU B 122 0.608 -1.408 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU B 122 1.683 -3.157 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU B 122 2.885 -1.946 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU B 122 1.451 -1.613 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU B 122 0.795 -3.188 -7.967 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.025 0.089 -9.289 1.00 0.00 N ATOM 1831 CA PRO B 123 -2.230 0.329 -8.501 1.00 0.00 C ATOM 1832 C PRO B 123 -3.490 -0.196 -9.208 1.00 0.00 C ATOM 1833 O PRO B 123 -3.530 -1.368 -9.584 1.00 0.00 O ATOM 1834 CB PRO B 123 -2.203 1.848 -8.383 1.00 0.00 C ATOM 1835 CG PRO B 123 -1.700 2.296 -9.713 1.00 0.00 C ATOM 1836 CD PRO B 123 -0.705 1.247 -10.150 1.00 0.00 C ATOM 0 HA PRO B 123 -2.255 -0.183 -7.539 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -3.194 2.251 -8.173 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -1.548 2.176 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -2.516 2.384 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -1.229 3.277 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO B 123 -0.816 1.004 -11.207 1.00 0.00 H new ATOM 0 HD3 PRO B 123 0.322 1.583 -10.006 1.00 0.00 H new ATOM 1844 N PRO B 124 -4.538 0.632 -9.409 1.00 0.00 N ATOM 1845 CA PRO B 124 -5.761 0.176 -10.077 1.00 0.00 C ATOM 1846 C PRO B 124 -5.560 -0.028 -11.576 1.00 0.00 C ATOM 1847 O PRO B 124 -4.755 -0.857 -12.000 1.00 0.00 O ATOM 1848 CB PRO B 124 -6.755 1.308 -9.822 1.00 0.00 C ATOM 1849 CG PRO B 124 -5.912 2.519 -9.649 1.00 0.00 C ATOM 1850 CD PRO B 124 -4.632 2.051 -9.013 1.00 0.00 C ATOM 0 HA PRO B 124 -6.093 -0.791 -9.698 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -7.447 1.423 -10.657 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -7.357 1.114 -8.934 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.718 2.998 -10.608 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.413 3.255 -9.020 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -3.776 2.623 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -4.660 2.162 -7.929 1.00 0.00 H new HETATM 1858 N NH2 B 125 -6.290 0.727 -12.388 1.00 0.00 N TER 1859 NH2 B 125