USER MOD reduce.3.24.130724 H: found=0, std=0, add=1319, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1343 hydrogens (20 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: A 84 HIS HE2 : A 84 HIS NE2 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 97 HIS HD1 : A 97 HIS ND1 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD NoAdj-H: A 124 HIS HE2 : A 124 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD Set 1.1: A 132 SER OG : rot -56:sc= 0.365 USER MOD Set 1.2: A 172 LYS NZ :NH3+ -124:sc= 0.39 (180deg=0) USER MOD Set 2.1: A 139 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 141 THR OG1 : rot 71:sc= 1.45 USER MOD Set 2.3: A 144 ASN : amide:sc= -0.0419 X(o=1.4,f=0.99) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 120:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000747 USER MOD Single : A 12 SER OG : rot -120:sc= 1.13 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -74:sc= -0.217 USER MOD Single : A 17 TYR OH : rot 172:sc= 1.19 USER MOD Single : A 21 SER OG : rot -149:sc= 0.916 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 109:sc= 0.473 USER MOD Single : A 28 HIS : no HE2:sc= -0.99 K(o=-0.99,f=-2.5) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.076) USER MOD Single : A 40 ASN : amide:sc= -0.0719 K(o=-0.072,f=-0.7) USER MOD Single : A 41 MET CE :methyl -116:sc= -0.734 (180deg=-1.85) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.44 K(o=0.44,f=-2!) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0.0166 (180deg=0.0163) USER MOD Single : A 57 THR OG1 : rot 80:sc= 0.421 USER MOD Single : A 61 MET CE :methyl 152:sc= -0.0419 (180deg=-1.05) USER MOD Single : A 69 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-5.9) USER MOD Single : A 72 SER OG : rot -116:sc= 0.404 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0863 K(o=0.086,f=-2.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 16:sc= 0.311 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.278 K(o=-0.28,f=-9.9!) USER MOD Single : A 116 TYR OH : rot -119:sc= 0.286 USER MOD Single : A 119 THR OG1 : rot 85:sc= -0.488 USER MOD Single : A 125 SER OG : rot 39:sc= 0.909 USER MOD Single : A 128 MET CE :methyl 144:sc= -1 (180deg=-2.45!) USER MOD Single : A 130 HIS : no HD1:sc= 0.0518 K(o=0.052,f=-1.7) USER MOD Single : A 131 SER OG : rot 50:sc= -0.274 USER MOD Single : A 135 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.9!) USER MOD Single : A 138 MET CE :methyl -120:sc= -1.26 (180deg=-2.33) USER MOD Single : A 142 TYR OH : rot 180:sc= -0.0641 USER MOD Single : A 148 GLN : amide:sc= 0.229 X(o=0.23,f=-0.11) USER MOD Single : A 149 ASN : amide:sc= 0.56 K(o=0.56,f=-4.8!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc=-0.00135 X(o=-0.0014,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.7!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= -0.0122 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot 160:sc=0.000297 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -8.464 -4.241 15.465 1.00 0.56 C ATOM 2 C TYR A 1 -6.951 -4.141 15.700 1.00 0.57 C ATOM 3 O TYR A 1 -6.469 -4.461 16.789 1.00 -0.57 O ATOM 4 CB TYR A 1 -9.092 -2.877 15.111 1.00 0.14 C ATOM 5 CG TYR A 1 -9.166 -1.873 16.255 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -10.243 -1.919 17.164 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -8.164 -0.894 16.424 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -10.303 -1.031 18.249 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -8.234 0.019 17.496 1.00 -0.15 C ATOM 10 CZ TYR A 1 -9.299 -0.056 18.425 1.00 0.08 C ATOM 11 OH TYR A 1 -9.357 0.783 19.499 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -8.519 -2.433 14.297 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -10.101 -3.048 14.734 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -11.030 -2.645 17.024 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -7.339 -0.844 15.729 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -11.121 -1.094 18.952 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -7.473 0.777 17.609 1.00 -0.15 H new ATOM 0 HH TYR A 1 -8.592 1.395 19.477 1.00 -0.53 H new ATOM 20 N SER A 2 -6.211 -3.715 14.669 1.00 -0.73 N ATOM 21 CA SER A 2 -4.802 -3.345 14.770 1.00 0.36 C ATOM 22 C SER A 2 -4.710 -1.963 15.427 1.00 0.57 C ATOM 23 O SER A 2 -4.693 -1.896 16.651 1.00 -0.57 O ATOM 24 CB SER A 2 -4.177 -3.436 13.373 1.00 0.28 C ATOM 25 OG SER A 2 -2.860 -2.933 13.279 1.00 -0.68 O ATOM 0 H SER A 2 -6.586 -3.618 13.725 1.00 -0.73 H new ATOM 0 HA SER A 2 -4.230 -4.022 15.405 1.00 0.36 H new ATOM 0 HB2 SER A 2 -4.176 -4.480 13.058 1.00 0.28 H new ATOM 0 HB3 SER A 2 -4.809 -2.892 12.671 1.00 0.28 H new ATOM 0 HG SER A 2 -2.257 -3.648 12.986 1.00 -0.68 H new ATOM 31 N LEU A 3 -4.693 -0.861 14.657 1.00 -0.73 N ATOM 32 CA LEU A 3 -4.462 0.476 15.222 1.00 0.36 C ATOM 33 C LEU A 3 -5.049 1.618 14.367 1.00 0.57 C ATOM 34 O LEU A 3 -4.588 2.764 14.433 1.00 -0.57 O ATOM 35 CB LEU A 3 -2.950 0.662 15.476 1.00 0.00 C ATOM 36 CG LEU A 3 -2.716 1.469 16.772 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.469 0.523 17.958 1.00 0.00 C ATOM 38 CD2 LEU A 3 -1.536 2.431 16.623 1.00 0.00 C ATOM 0 H LEU A 3 -4.836 -0.871 13.647 1.00 -0.73 H new ATOM 0 HA LEU A 3 -5.001 0.536 16.168 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -2.466 -0.311 15.554 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.494 1.178 14.631 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.615 2.055 16.962 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.306 1.109 18.863 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.336 -0.123 18.095 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.589 -0.089 17.758 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.398 2.984 17.552 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.631 1.865 16.399 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.737 3.130 15.811 1.00 0.00 H new ATOM 50 N PHE A 4 -6.068 1.314 13.554 1.00 -0.73 N ATOM 51 CA PHE A 4 -6.676 2.247 12.607 1.00 0.36 C ATOM 52 C PHE A 4 -8.211 2.079 12.587 1.00 0.57 C ATOM 53 O PHE A 4 -8.763 1.614 11.588 1.00 -0.57 O ATOM 54 CB PHE A 4 -6.020 2.070 11.219 1.00 0.14 C ATOM 55 CG PHE A 4 -4.690 2.790 11.032 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -4.621 4.187 11.207 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -3.548 2.089 10.593 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -3.433 4.881 10.924 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -2.354 2.786 10.321 1.00 -0.15 C ATOM 60 CZ PHE A 4 -2.299 4.182 10.477 1.00 -0.15 C ATOM 0 H PHE A 4 -6.500 0.390 13.539 1.00 -0.73 H new ATOM 0 HA PHE A 4 -6.493 3.275 12.921 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -5.867 1.006 11.041 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -6.716 2.424 10.458 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -5.487 4.727 11.561 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -3.589 1.017 10.465 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -3.391 5.953 11.050 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -1.478 2.246 9.992 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -1.387 4.716 10.254 1.00 -0.15 H new ATOM 70 N PRO A 5 -8.926 2.411 13.683 1.00 -0.66 N ATOM 71 CA PRO A 5 -10.383 2.348 13.745 1.00 0.36 C ATOM 72 C PRO A 5 -11.033 3.500 12.952 1.00 0.57 C ATOM 73 O PRO A 5 -11.719 4.353 13.510 1.00 -0.57 O ATOM 74 CB PRO A 5 -10.718 2.329 15.241 1.00 0.00 C ATOM 75 CG PRO A 5 -9.575 3.107 15.892 1.00 0.00 C ATOM 76 CD PRO A 5 -8.390 2.913 14.945 1.00 0.30 C ATOM 0 HA PRO A 5 -10.793 1.459 13.266 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -11.682 2.798 15.439 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.774 1.310 15.623 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.826 4.162 16.003 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.353 2.726 16.889 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.861 3.854 14.792 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -7.672 2.209 15.366 1.00 0.30 H new ATOM 84 N ASN A 6 -10.826 3.514 11.631 1.00 -0.73 N ATOM 85 CA ASN A 6 -11.309 4.541 10.712 1.00 0.36 C ATOM 86 C ASN A 6 -11.993 3.854 9.531 1.00 0.57 C ATOM 87 O ASN A 6 -11.431 3.793 8.445 1.00 -0.57 O ATOM 88 CB ASN A 6 -10.165 5.488 10.292 1.00 0.06 C ATOM 89 CG ASN A 6 -10.112 6.717 11.188 1.00 0.57 C ATOM 90 OD1 ASN A 6 -9.387 6.755 12.176 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -10.921 7.725 10.879 1.00 -0.80 N ATOM 0 H ASN A 6 -10.297 2.781 11.158 1.00 -0.73 H new ATOM 0 HA ASN A 6 -12.046 5.177 11.203 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -9.214 4.958 10.341 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -10.306 5.796 9.256 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -10.949 8.556 11.470 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -11.514 7.668 10.051 1.00 -0.80 H new ATOM 98 N SER A 7 -13.195 3.310 9.788 1.00 -0.73 N ATOM 99 CA SER A 7 -14.080 2.674 8.802 1.00 0.36 C ATOM 100 C SER A 7 -13.313 1.773 7.823 1.00 0.57 C ATOM 101 O SER A 7 -13.065 2.163 6.680 1.00 -0.57 O ATOM 102 CB SER A 7 -14.960 3.739 8.135 1.00 0.28 C ATOM 103 OG SER A 7 -16.018 4.023 9.039 1.00 -0.68 O ATOM 0 H SER A 7 -13.591 3.302 10.728 1.00 -0.73 H new ATOM 0 HA SER A 7 -14.753 1.986 9.313 1.00 0.36 H new ATOM 0 HB2 SER A 7 -14.383 4.638 7.921 1.00 0.28 H new ATOM 0 HB3 SER A 7 -15.351 3.377 7.184 1.00 0.28 H new ATOM 0 HG SER A 7 -16.606 4.704 8.651 1.00 -0.68 H new ATOM 109 N PRO A 8 -12.888 0.581 8.282 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.047 -0.297 7.496 1.00 0.36 C ATOM 111 C PRO A 8 -12.845 -0.808 6.286 1.00 0.57 C ATOM 112 O PRO A 8 -13.914 -1.394 6.460 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.611 -1.397 8.466 1.00 0.00 C ATOM 114 CG PRO A 8 -12.711 -1.469 9.518 1.00 0.00 C ATOM 115 CD PRO A 8 -13.314 -0.066 9.520 1.00 0.30 C ATOM 0 HA PRO A 8 -11.165 0.185 7.074 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.496 -2.351 7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.648 -1.162 8.920 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.456 -2.223 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.310 -1.732 10.497 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.402 -0.113 9.577 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.974 0.499 10.388 1.00 0.30 H new ATOM 123 N LYS A 9 -12.294 -0.568 5.086 1.00 -0.73 N ATOM 124 CA LYS A 9 -12.884 -0.719 3.751 1.00 0.36 C ATOM 125 C LYS A 9 -13.773 0.481 3.402 1.00 0.57 C ATOM 126 O LYS A 9 -14.662 0.864 4.163 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.521 -2.111 3.522 1.00 0.00 C ATOM 128 CG LYS A 9 -15.056 -2.176 3.642 1.00 0.00 C ATOM 129 CD LYS A 9 -15.565 -3.625 3.720 1.00 0.00 C ATOM 130 CE LYS A 9 -16.873 -3.700 4.523 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.053 -4.004 3.680 1.00 -0.85 N ATOM 0 H LYS A 9 -11.333 -0.232 5.022 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.077 -0.700 3.019 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.238 -2.460 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.090 -2.809 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.374 -1.631 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.508 -1.678 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.727 -4.013 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.809 -4.256 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.777 -4.465 5.293 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.034 -2.751 5.035 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.905 -4.042 4.276 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.166 -3.261 2.961 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.917 -4.922 3.211 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.527 1.072 2.226 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.350 2.140 1.672 1.00 0.36 C ATOM 147 C TRP A 10 -15.781 1.646 1.434 1.00 0.57 C ATOM 148 O TRP A 10 -16.019 0.449 1.269 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.741 2.648 0.357 1.00 0.18 C ATOM 150 CG TRP A 10 -12.274 2.949 0.392 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.285 2.053 0.158 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.604 4.218 0.676 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.062 2.671 0.303 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.201 4.018 0.539 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.031 5.519 1.031 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.269 5.051 0.696 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.105 6.568 1.190 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.731 6.337 1.011 1.00 -0.15 C ATOM 0 H TRP A 10 -12.740 0.815 1.630 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.381 2.961 2.388 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -13.921 1.902 -0.417 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.271 3.552 0.058 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.432 1.015 -0.102 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.165 2.189 0.243 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.083 5.711 1.182 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.213 4.861 0.577 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.453 7.556 1.451 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.029 7.151 1.116 1.00 -0.15 H new ATOM 169 N THR A 11 -16.732 2.580 1.373 1.00 -0.73 N ATOM 170 CA THR A 11 -18.142 2.263 1.175 1.00 0.36 C ATOM 171 C THR A 11 -18.446 1.946 -0.294 1.00 0.57 C ATOM 172 O THR A 11 -19.297 1.103 -0.579 1.00 -0.57 O ATOM 173 CB THR A 11 -18.985 3.455 1.662 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.620 4.628 0.958 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.783 3.713 3.162 1.00 0.00 C ATOM 0 H THR A 11 -16.543 3.578 1.460 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.393 1.371 1.750 1.00 0.36 H new ATOM 0 HB THR A 11 -20.031 3.207 1.480 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.163 5.381 1.273 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.394 4.562 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.079 2.829 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.733 3.932 3.355 1.00 0.00 H new ATOM 183 N SER A 12 -17.756 2.616 -1.222 1.00 -0.73 N ATOM 184 CA SER A 12 -17.866 2.371 -2.648 1.00 0.36 C ATOM 185 C SER A 12 -16.970 1.191 -3.026 1.00 0.57 C ATOM 186 O SER A 12 -15.822 1.103 -2.592 1.00 -0.57 O ATOM 187 CB SER A 12 -17.446 3.639 -3.396 1.00 0.28 C ATOM 188 OG SER A 12 -17.575 3.463 -4.789 1.00 -0.68 O ATOM 0 H SER A 12 -17.094 3.357 -0.990 1.00 -0.73 H new ATOM 0 HA SER A 12 -18.892 2.124 -2.919 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.061 4.479 -3.072 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.413 3.887 -3.150 1.00 0.28 H new ATOM 0 HG SER A 12 -16.703 3.591 -5.217 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.475 0.319 -3.908 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.694 -0.762 -4.514 1.00 0.36 C ATOM 196 C LYS A 13 -15.751 -0.266 -5.617 1.00 0.57 C ATOM 197 O LYS A 13 -15.041 -1.081 -6.207 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.642 -1.843 -5.052 1.00 0.00 C ATOM 199 CG LYS A 13 -18.261 -1.494 -6.420 1.00 0.00 C ATOM 200 CD LYS A 13 -19.751 -1.836 -6.485 1.00 0.00 C ATOM 201 CE LYS A 13 -20.211 -1.887 -7.944 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.646 -1.577 -8.071 1.00 -0.85 N ATOM 0 H LYS A 13 -18.445 0.346 -4.222 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.059 -1.186 -3.736 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.097 -2.783 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.443 -2.004 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.125 -0.431 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.732 -2.034 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.934 -2.797 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.328 -1.090 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.631 -1.177 -8.534 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.014 -2.878 -8.354 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.923 -1.621 -9.072 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.200 -2.269 -7.528 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.829 -0.622 -7.703 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.791 1.032 -5.927 1.00 -0.73 N ATOM 217 CA VAL A 14 -14.948 1.691 -6.904 1.00 0.36 C ATOM 218 C VAL A 14 -14.269 2.815 -6.138 1.00 0.57 C ATOM 219 O VAL A 14 -14.942 3.742 -5.679 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.743 2.140 -8.153 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.054 2.895 -7.874 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.875 3.004 -9.082 1.00 0.00 C ATOM 0 H VAL A 14 -16.445 1.674 -5.478 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.198 1.027 -7.333 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.022 1.199 -8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.528 3.162 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.725 2.258 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.839 3.801 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.460 3.305 -9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.540 3.892 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.009 2.429 -9.409 1.00 0.00 H new ATOM 232 N VAL A 15 -12.950 2.701 -5.992 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.137 3.682 -5.296 1.00 0.36 C ATOM 234 C VAL A 15 -11.206 4.305 -6.336 1.00 0.57 C ATOM 235 O VAL A 15 -10.715 3.606 -7.228 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.445 2.997 -4.098 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.262 2.104 -4.499 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.013 4.039 -3.069 1.00 0.00 C ATOM 0 H VAL A 15 -12.415 1.914 -6.360 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.708 4.499 -4.855 1.00 0.36 H new ATOM 0 HB VAL A 15 -12.185 2.331 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.825 1.656 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.611 1.316 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.509 2.705 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.527 3.542 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.316 4.738 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.888 4.582 -2.711 1.00 0.00 H new ATOM 248 N THR A 16 -10.982 5.616 -6.274 1.00 -0.73 N ATOM 249 CA THR A 16 -10.182 6.286 -7.293 1.00 0.36 C ATOM 250 C THR A 16 -8.883 6.827 -6.709 1.00 0.57 C ATOM 251 O THR A 16 -8.813 7.205 -5.539 1.00 -0.57 O ATOM 252 CB THR A 16 -11.023 7.300 -8.075 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.232 7.866 -9.097 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.643 8.394 -7.200 1.00 0.00 C ATOM 0 H THR A 16 -11.338 6.227 -5.539 1.00 -0.73 H new ATOM 0 HA THR A 16 -9.862 5.558 -8.039 1.00 0.36 H new ATOM 0 HB THR A 16 -11.866 6.758 -8.502 1.00 0.28 H new ATOM 0 HG1 THR A 16 -9.594 8.498 -8.705 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.223 9.074 -7.824 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.296 7.938 -6.456 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.852 8.950 -6.697 1.00 0.00 H new ATOM 262 N TYR A 17 -7.846 6.867 -7.550 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.509 7.249 -7.143 1.00 0.36 C ATOM 264 C TYR A 17 -5.998 8.405 -7.998 1.00 0.57 C ATOM 265 O TYR A 17 -6.454 8.608 -9.129 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.574 6.023 -7.151 1.00 0.14 C ATOM 267 CG TYR A 17 -5.238 5.427 -8.510 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.059 4.438 -9.070 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.082 5.837 -9.201 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.760 3.895 -10.333 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.759 5.276 -10.459 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.600 4.294 -11.038 1.00 0.08 C ATOM 273 OH TYR A 17 -4.325 3.722 -12.253 1.00 -0.53 O ATOM 0 H TYR A 17 -7.921 6.631 -8.540 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.531 7.614 -6.116 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.641 6.304 -6.663 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.030 5.243 -6.541 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -6.926 4.091 -8.528 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.436 6.586 -8.767 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.424 3.164 -10.770 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.869 5.597 -10.979 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.571 4.188 -12.671 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.028 9.157 -7.463 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.297 10.146 -8.244 1.00 0.36 C ATOM 285 C ARG A 18 -2.847 10.137 -7.814 1.00 0.57 C ATOM 286 O ARG A 18 -2.527 10.423 -6.663 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.906 11.555 -8.147 1.00 0.00 C ATOM 288 CG ARG A 18 -4.308 12.466 -9.243 1.00 0.00 C ATOM 289 CD ARG A 18 -3.095 13.285 -8.786 1.00 0.33 C ATOM 290 NE ARG A 18 -2.261 13.693 -9.937 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.365 14.830 -10.647 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.249 15.765 -10.303 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.587 15.036 -11.708 1.00 -0.97 N ATOM 0 H ARG A 18 -4.735 9.094 -6.488 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.370 9.871 -9.296 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.989 11.501 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.708 11.979 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.017 11.849 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.082 13.149 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.433 14.170 -8.246 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -2.497 12.697 -8.090 1.00 0.33 H new ATOM 0 HE ARG A 18 -1.529 13.043 -10.223 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.854 15.622 -9.495 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -3.321 16.624 -10.848 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -0.907 14.329 -11.987 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.671 15.901 -12.242 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.978 9.836 -8.770 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.548 9.816 -8.577 1.00 0.36 C ATOM 309 C ILE A 19 -0.086 11.267 -8.857 1.00 0.57 C ATOM 310 O ILE A 19 -0.094 11.699 -10.012 1.00 -0.57 O ATOM 311 CB ILE A 19 0.071 8.693 -9.459 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.671 7.333 -9.364 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.526 8.496 -9.034 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.184 6.240 -10.331 1.00 0.00 C ATOM 0 H ILE A 19 -2.262 9.595 -9.720 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.212 9.555 -7.573 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.016 9.018 -10.496 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.577 6.959 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.732 7.505 -9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.979 7.712 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.075 9.427 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.562 8.208 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.770 5.333 -10.180 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.305 6.583 -11.359 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.868 6.028 -10.141 1.00 0.00 H new ATOM 326 N VAL A 20 0.145 12.074 -7.804 1.00 -0.73 N ATOM 327 CA VAL A 20 0.502 13.506 -7.908 1.00 0.36 C ATOM 328 C VAL A 20 1.950 13.697 -8.371 1.00 0.57 C ATOM 329 O VAL A 20 2.207 14.461 -9.298 1.00 -0.57 O ATOM 330 CB VAL A 20 0.287 14.285 -6.580 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.108 14.907 -6.453 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.554 13.459 -5.319 1.00 0.00 C ATOM 0 H VAL A 20 0.088 11.746 -6.840 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.177 13.917 -8.655 1.00 0.36 H new ATOM 0 HB VAL A 20 1.033 15.077 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.186 15.434 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.269 15.609 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.862 14.121 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.381 14.076 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.116 12.600 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.588 13.113 -5.323 1.00 0.00 H new ATOM 342 N SER A 21 2.878 12.980 -7.740 1.00 -0.73 N ATOM 343 CA SER A 21 4.294 12.908 -8.087 1.00 0.36 C ATOM 344 C SER A 21 4.571 11.456 -8.477 1.00 0.57 C ATOM 345 O SER A 21 3.691 10.618 -8.323 1.00 -0.57 O ATOM 346 CB SER A 21 5.203 13.382 -6.929 1.00 0.28 C ATOM 347 OG SER A 21 4.560 13.611 -5.684 1.00 -0.68 O ATOM 0 H SER A 21 2.649 12.404 -6.930 1.00 -0.73 H new ATOM 0 HA SER A 21 4.522 13.580 -8.914 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.985 12.637 -6.780 1.00 0.28 H new ATOM 0 HB3 SER A 21 5.696 14.305 -7.235 1.00 0.28 H new ATOM 0 HG SER A 21 5.028 14.323 -5.200 1.00 -0.68 H new ATOM 353 N TYR A 22 5.782 11.121 -8.932 1.00 -0.73 N ATOM 354 CA TYR A 22 6.147 9.773 -9.361 1.00 0.36 C ATOM 355 C TYR A 22 7.606 9.519 -8.966 1.00 0.57 C ATOM 356 O TYR A 22 8.325 10.468 -8.659 1.00 -0.57 O ATOM 357 CB TYR A 22 5.960 9.661 -10.881 1.00 0.14 C ATOM 358 CG TYR A 22 4.541 9.387 -11.360 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.633 10.444 -11.581 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.155 8.070 -11.675 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.356 10.190 -12.115 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.885 7.806 -12.220 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.983 8.868 -12.451 1.00 0.08 C ATOM 364 OH TYR A 22 0.758 8.611 -12.994 1.00 -0.53 O ATOM 0 H TYR A 22 6.546 11.791 -9.013 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.514 9.026 -8.882 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.304 10.588 -11.339 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.607 8.865 -11.249 1.00 0.14 H new ATOM 0 HD1 TYR A 22 3.920 11.456 -11.338 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.840 7.255 -11.497 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.662 11.003 -12.268 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.600 6.793 -12.461 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.670 7.650 -13.163 1.00 -0.53 H new ATOM 374 N THR A 23 8.038 8.252 -8.987 1.00 -0.73 N ATOM 375 CA THR A 23 9.440 7.872 -8.809 1.00 0.36 C ATOM 376 C THR A 23 10.311 8.333 -10.000 1.00 0.57 C ATOM 377 O THR A 23 9.834 8.981 -10.932 1.00 -0.57 O ATOM 378 CB THR A 23 9.530 6.356 -8.529 1.00 0.28 C ATOM 379 OG1 THR A 23 10.796 6.038 -7.984 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.342 5.498 -9.780 1.00 0.00 C ATOM 0 H THR A 23 7.416 7.456 -9.130 1.00 -0.73 H new ATOM 0 HA THR A 23 9.850 8.389 -7.942 1.00 0.36 H new ATOM 0 HB THR A 23 8.721 6.134 -7.833 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.695 5.804 -7.038 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.417 4.444 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.360 5.694 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.114 5.743 -10.509 1.00 0.00 H new ATOM 388 N ARG A 24 11.595 7.948 -9.979 1.00 -0.73 N ATOM 389 CA ARG A 24 12.591 8.299 -11.002 1.00 0.36 C ATOM 390 C ARG A 24 13.339 7.086 -11.552 1.00 0.57 C ATOM 391 O ARG A 24 13.658 7.038 -12.748 1.00 -0.57 O ATOM 392 CB ARG A 24 13.611 9.289 -10.407 1.00 0.00 C ATOM 393 CG ARG A 24 13.398 10.708 -10.940 1.00 0.00 C ATOM 394 CD ARG A 24 14.537 11.642 -10.501 1.00 0.33 C ATOM 395 NE ARG A 24 15.579 11.820 -11.542 1.00 -0.84 N ATOM 396 CZ ARG A 24 15.516 12.665 -12.591 1.00 1.20 C ATOM 397 NH1 ARG A 24 14.406 13.355 -12.844 1.00 -0.97 N ATOM 398 NH2 ARG A 24 16.554 12.852 -13.410 1.00 -0.97 N ATOM 0 H ARG A 24 11.979 7.370 -9.232 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.046 8.748 -11.832 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.525 9.291 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.622 8.958 -10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.341 10.686 -12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.446 11.096 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.121 12.616 -10.242 1.00 0.33 H new ATOM 0 HD3 ARG A 24 14.999 11.242 -9.598 1.00 0.33 H new ATOM 0 HE ARG A 24 16.421 11.251 -11.456 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 13.590 13.248 -12.241 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 14.371 13.991 -13.641 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 17.427 12.348 -13.251 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 16.474 13.498 -14.195 1.00 -0.97 H new ATOM 412 N ASP A 25 13.648 6.127 -10.673 1.00 -0.73 N ATOM 413 CA ASP A 25 14.398 4.925 -11.027 1.00 0.36 C ATOM 414 C ASP A 25 13.648 4.139 -12.106 1.00 0.57 C ATOM 415 O ASP A 25 14.222 3.736 -13.124 1.00 -0.57 O ATOM 416 CB ASP A 25 14.577 4.075 -9.763 1.00 0.06 C ATOM 417 CG ASP A 25 15.874 3.273 -9.817 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.976 2.347 -10.605 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.857 3.726 -9.044 1.00 -0.65 O ATOM 0 H ASP A 25 13.381 6.167 -9.689 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.376 5.195 -11.426 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.582 4.721 -8.885 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.731 3.396 -9.655 1.00 0.06 H new ATOM 425 N LEU A 26 12.330 4.027 -11.896 1.00 -0.73 N ATOM 426 CA LEU A 26 11.382 3.288 -12.712 1.00 0.36 C ATOM 427 C LEU A 26 10.491 4.295 -13.464 1.00 0.57 C ATOM 428 O LEU A 26 10.226 5.377 -12.936 1.00 -0.57 O ATOM 429 CB LEU A 26 10.505 2.387 -11.816 1.00 0.00 C ATOM 430 CG LEU A 26 11.257 1.553 -10.755 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.239 0.834 -9.860 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.236 0.568 -11.401 1.00 0.00 C ATOM 0 H LEU A 26 11.879 4.481 -11.102 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.919 2.659 -13.422 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.775 3.016 -11.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.946 1.705 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 26 11.856 2.224 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.766 0.244 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.607 1.570 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.620 0.176 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.746 -0.001 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.689 -0.115 -12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.970 1.118 -11.989 1.00 0.00 H new ATOM 444 N PRO A 27 10.002 3.972 -14.675 1.00 -0.66 N ATOM 445 CA PRO A 27 9.155 4.877 -15.439 1.00 0.36 C ATOM 446 C PRO A 27 7.720 4.952 -14.889 1.00 0.57 C ATOM 447 O PRO A 27 7.238 4.050 -14.205 1.00 -0.57 O ATOM 448 CB PRO A 27 9.202 4.367 -16.881 1.00 0.00 C ATOM 449 CG PRO A 27 9.647 2.908 -16.788 1.00 0.00 C ATOM 450 CD PRO A 27 10.284 2.749 -15.407 1.00 0.30 C ATOM 0 HA PRO A 27 9.518 5.903 -15.371 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.225 4.449 -17.358 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.899 4.952 -17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.799 2.233 -16.907 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.360 2.666 -17.577 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.872 1.883 -14.888 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.359 2.588 -15.492 1.00 0.30 H new ATOM 458 N HIS A 28 7.009 6.026 -15.250 1.00 -0.73 N ATOM 459 CA HIS A 28 5.677 6.350 -14.729 1.00 0.36 C ATOM 460 C HIS A 28 4.623 5.339 -15.200 1.00 0.57 C ATOM 461 O HIS A 28 3.725 4.966 -14.445 1.00 -0.57 O ATOM 462 CB HIS A 28 5.258 7.750 -15.210 1.00 0.17 C ATOM 463 CG HIS A 28 6.123 8.909 -14.773 1.00 0.18 C ATOM 464 ND1 HIS A 28 5.666 10.044 -14.144 1.00 -0.70 N ATOM 465 CD2 HIS A 28 7.460 9.107 -15.013 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.704 10.884 -13.994 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.823 10.359 -14.513 1.00 -0.70 N ATOM 0 H HIS A 28 7.351 6.708 -15.927 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.734 6.316 -13.641 1.00 0.36 H new ATOM 0 HB2 HIS A 28 5.229 7.740 -16.300 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.241 7.937 -14.866 1.00 0.17 H new ATOM 0 HD1 HIS A 28 4.707 10.218 -13.844 1.00 -0.70 H new ATOM 0 HD2 HIS A 28 8.121 8.410 -15.507 1.00 0.20 H new ATOM 0 HE1 HIS A 28 6.645 11.852 -13.519 1.00 0.65 H new ATOM 476 N ILE A 29 4.727 4.900 -16.459 1.00 -0.73 N ATOM 477 CA ILE A 29 3.866 3.865 -17.021 1.00 0.36 C ATOM 478 C ILE A 29 4.045 2.553 -16.256 1.00 0.57 C ATOM 479 O ILE A 29 3.059 1.876 -15.971 1.00 -0.57 O ATOM 480 CB ILE A 29 4.121 3.719 -18.540 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.174 2.656 -19.137 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.590 3.410 -18.903 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.829 2.951 -20.600 1.00 0.00 C ATOM 0 H ILE A 29 5.418 5.259 -17.118 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.822 4.156 -16.906 1.00 0.36 H new ATOM 0 HB ILE A 29 3.909 4.693 -18.981 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.641 1.674 -19.066 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.257 2.616 -18.549 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.687 3.322 -19.985 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.230 4.216 -18.545 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.891 2.473 -18.435 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.161 2.178 -20.979 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.338 3.921 -20.669 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.743 2.964 -21.194 1.00 0.00 H new ATOM 495 N THR A 30 5.287 2.234 -15.883 1.00 -0.73 N ATOM 496 CA THR A 30 5.614 1.088 -15.059 1.00 0.36 C ATOM 497 C THR A 30 5.068 1.313 -13.659 1.00 0.57 C ATOM 498 O THR A 30 4.428 0.398 -13.173 1.00 -0.57 O ATOM 499 CB THR A 30 7.123 0.828 -15.132 1.00 0.28 C ATOM 500 OG1 THR A 30 7.338 0.317 -16.431 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.725 -0.162 -14.130 1.00 0.00 C ATOM 0 H THR A 30 6.103 2.782 -16.155 1.00 -0.73 H new ATOM 0 HA THR A 30 5.140 0.175 -15.421 1.00 0.36 H new ATOM 0 HB THR A 30 7.616 1.769 -14.887 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.291 0.126 -16.554 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.798 -0.245 -14.301 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.545 0.193 -13.115 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.260 -1.139 -14.260 1.00 0.00 H new ATOM 509 N VAL A 31 5.195 2.496 -13.040 1.00 -0.73 N ATOM 510 CA VAL A 31 4.544 2.768 -11.753 1.00 0.36 C ATOM 511 C VAL A 31 3.050 2.436 -11.820 1.00 0.57 C ATOM 512 O VAL A 31 2.588 1.667 -10.977 1.00 -0.57 O ATOM 513 CB VAL A 31 4.812 4.216 -11.288 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.841 4.693 -10.195 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.246 4.338 -10.766 1.00 0.00 C ATOM 0 H VAL A 31 5.740 3.275 -13.409 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.981 2.115 -10.998 1.00 0.36 H new ATOM 0 HB VAL A 31 4.659 4.852 -12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.085 5.718 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.820 4.654 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.930 4.046 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.429 5.362 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.386 3.659 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.946 4.080 -11.561 1.00 0.00 H new ATOM 525 N ASP A 32 2.311 2.945 -12.816 1.00 -0.73 N ATOM 526 CA ASP A 32 0.880 2.644 -12.938 1.00 0.36 C ATOM 527 C ASP A 32 0.645 1.156 -13.231 1.00 0.57 C ATOM 528 O ASP A 32 -0.237 0.566 -12.617 1.00 -0.57 O ATOM 529 CB ASP A 32 0.217 3.533 -13.998 1.00 0.06 C ATOM 530 CG ASP A 32 -1.295 3.274 -14.129 1.00 0.66 C ATOM 531 OD1 ASP A 32 -2.043 3.754 -13.294 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.685 2.608 -15.212 1.00 -0.65 O ATOM 0 H ASP A 32 2.677 3.561 -13.542 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.412 2.866 -11.979 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.381 4.580 -13.743 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.696 3.361 -14.962 1.00 0.06 H new ATOM 538 N ARG A 33 1.444 0.511 -14.095 1.00 -0.73 N ATOM 539 CA ARG A 33 1.304 -0.926 -14.387 1.00 0.36 C ATOM 540 C ARG A 33 1.573 -1.789 -13.158 1.00 0.57 C ATOM 541 O ARG A 33 0.861 -2.769 -12.928 1.00 -0.57 O ATOM 542 CB ARG A 33 2.251 -1.360 -15.529 1.00 0.00 C ATOM 543 CG ARG A 33 1.495 -1.660 -16.828 1.00 0.00 C ATOM 544 CD ARG A 33 0.841 -0.411 -17.438 1.00 0.33 C ATOM 545 NE ARG A 33 -0.545 -0.680 -17.857 1.00 -0.84 N ATOM 546 CZ ARG A 33 -1.424 0.239 -18.286 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.057 1.511 -18.467 1.00 -0.97 N ATOM 548 NH2 ARG A 33 -2.678 -0.123 -18.543 1.00 -0.97 N ATOM 0 H ARG A 33 2.200 0.965 -14.608 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.270 -1.077 -14.697 1.00 0.36 H new ATOM 0 HB2 ARG A 33 2.983 -0.573 -15.710 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.806 -2.246 -15.221 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.184 -2.094 -17.552 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.727 -2.408 -16.631 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.852 0.400 -16.709 1.00 0.33 H new ATOM 0 HD3 ARG A 33 1.424 -0.076 -18.296 1.00 0.33 H new ATOM 0 HE ARG A 33 -0.864 -1.648 -17.818 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -0.096 1.796 -18.279 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.738 2.197 -18.794 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 -2.965 -1.093 -18.414 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -3.352 0.570 -18.869 1.00 -0.97 H new ATOM 562 N LEU A 34 2.613 -1.442 -12.403 1.00 -0.73 N ATOM 563 CA LEU A 34 3.008 -2.083 -11.168 1.00 0.36 C ATOM 564 C LEU A 34 1.895 -1.892 -10.151 1.00 0.57 C ATOM 565 O LEU A 34 1.441 -2.886 -9.596 1.00 -0.57 O ATOM 566 CB LEU A 34 4.365 -1.539 -10.691 1.00 0.00 C ATOM 567 CG LEU A 34 5.566 -2.370 -11.211 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.609 -2.604 -12.727 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.858 -1.709 -10.721 1.00 0.00 C ATOM 0 H LEU A 34 3.228 -0.668 -12.655 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.151 -3.154 -11.314 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.474 -0.506 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.383 -1.527 -9.601 1.00 0.00 H new ATOM 0 HG LEU A 34 5.447 -3.373 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.489 -3.195 -12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.711 -3.138 -13.038 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.657 -1.645 -13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.716 -2.279 -11.077 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.914 -0.691 -11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.864 -1.686 -9.631 1.00 0.00 H new ATOM 581 N VAL A 35 1.383 -0.668 -9.972 1.00 -0.73 N ATOM 582 CA VAL A 35 0.200 -0.421 -9.153 1.00 0.36 C ATOM 583 C VAL A 35 -0.988 -1.250 -9.651 1.00 0.57 C ATOM 584 O VAL A 35 -1.682 -1.831 -8.824 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.083 1.098 -9.048 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.567 1.478 -8.953 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.637 1.638 -7.801 1.00 0.00 C ATOM 0 H VAL A 35 1.779 0.173 -10.391 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.384 -0.758 -8.133 1.00 0.36 H new ATOM 0 HB VAL A 35 0.281 1.539 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.661 2.562 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.091 1.125 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.004 1.018 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.451 2.708 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.263 1.126 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.709 1.463 -7.895 1.00 0.00 H new ATOM 597 N SER A 36 -1.206 -1.365 -10.966 1.00 -0.73 N ATOM 598 CA SER A 36 -2.312 -2.131 -11.529 1.00 0.36 C ATOM 599 C SER A 36 -2.192 -3.596 -11.104 1.00 0.57 C ATOM 600 O SER A 36 -3.131 -4.114 -10.507 1.00 -0.57 O ATOM 601 CB SER A 36 -2.360 -1.967 -13.059 1.00 0.28 C ATOM 602 OG SER A 36 -3.675 -2.106 -13.572 1.00 -0.68 O ATOM 0 H SER A 36 -0.613 -0.925 -11.670 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.257 -1.749 -11.142 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.968 -0.987 -13.330 1.00 0.28 H new ATOM 0 HB3 SER A 36 -1.711 -2.709 -13.523 1.00 0.28 H new ATOM 0 HG SER A 36 -3.660 -1.993 -14.545 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.040 -4.255 -11.330 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.854 -5.649 -10.900 1.00 0.36 C ATOM 610 C LYS A 37 -0.889 -5.779 -9.368 1.00 0.57 C ATOM 611 O LYS A 37 -1.493 -6.720 -8.859 1.00 -0.57 O ATOM 612 CB LYS A 37 0.400 -6.299 -11.526 1.00 0.00 C ATOM 613 CG LYS A 37 1.724 -5.649 -11.097 1.00 0.00 C ATOM 614 CD LYS A 37 3.002 -6.394 -11.504 1.00 0.00 C ATOM 615 CE LYS A 37 3.615 -5.915 -12.824 1.00 0.50 C ATOM 616 NZ LYS A 37 2.815 -6.292 -14.009 1.00 -0.85 N ATOM 0 H LYS A 37 -0.233 -3.848 -11.803 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.703 -6.216 -11.283 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.422 -7.355 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.318 -6.249 -12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.764 -4.643 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.719 -5.543 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.742 -6.283 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.779 -7.458 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.721 -4.831 -12.795 1.00 0.50 H new ATOM 0 HE3 LYS A 37 4.618 -6.331 -12.923 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.345 -6.061 -14.873 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 2.619 -7.313 -13.985 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 1.917 -5.767 -14.003 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.300 -4.827 -8.635 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.233 -4.816 -7.177 1.00 0.36 C ATOM 632 C ALA A 38 -1.617 -4.701 -6.542 1.00 0.57 C ATOM 633 O ALA A 38 -1.938 -5.416 -5.592 1.00 -0.57 O ATOM 634 CB ALA A 38 0.609 -3.615 -6.748 1.00 0.00 C ATOM 0 H ALA A 38 0.157 -4.019 -9.058 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.209 -5.755 -6.844 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.673 -3.586 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.611 -3.704 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.144 -2.697 -7.109 1.00 0.00 H new ATOM 640 N LEU A 39 -2.452 -3.813 -7.081 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.841 -3.692 -6.680 1.00 0.36 C ATOM 642 C LEU A 39 -4.634 -4.897 -7.155 1.00 0.57 C ATOM 643 O LEU A 39 -5.517 -5.337 -6.428 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.452 -2.400 -7.235 1.00 0.00 C ATOM 645 CG LEU A 39 -4.079 -1.165 -6.397 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.584 0.102 -7.096 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.693 -1.263 -4.992 1.00 0.00 C ATOM 0 H LEU A 39 -2.176 -3.157 -7.812 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.883 -3.653 -5.592 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.115 -2.254 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.537 -2.499 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.994 -1.120 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.319 0.976 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.125 0.181 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.668 0.051 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.419 -0.381 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.778 -1.321 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.318 -2.156 -4.492 1.00 0.00 H new ATOM 659 N ASN A 40 -4.298 -5.474 -8.317 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.888 -6.736 -8.755 1.00 0.36 C ATOM 661 C ASN A 40 -4.613 -7.837 -7.737 1.00 0.57 C ATOM 662 O ASN A 40 -5.480 -8.664 -7.510 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.347 -7.181 -10.128 1.00 0.06 C ATOM 664 CG ASN A 40 -5.429 -7.517 -11.143 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.560 -7.845 -10.808 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.094 -7.424 -12.425 1.00 -0.80 N ATOM 0 H ASN A 40 -3.618 -5.082 -8.969 1.00 -0.73 H new ATOM 0 HA ASN A 40 -5.961 -6.568 -8.843 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.718 -6.388 -10.533 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.710 -8.054 -9.990 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.784 -7.627 -13.148 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.147 -7.149 -12.686 1.00 -0.80 H new ATOM 673 N MET A 41 -3.430 -7.860 -7.113 1.00 -0.73 N ATOM 674 CA MET A 41 -3.088 -8.825 -6.073 1.00 0.36 C ATOM 675 C MET A 41 -3.968 -8.672 -4.826 1.00 0.57 C ATOM 676 O MET A 41 -4.337 -9.683 -4.233 1.00 -0.57 O ATOM 677 CB MET A 41 -1.587 -8.718 -5.746 1.00 0.00 C ATOM 678 CG MET A 41 -0.747 -9.714 -6.556 1.00 0.23 C ATOM 679 SD MET A 41 0.426 -8.961 -7.720 1.00 -0.46 S ATOM 680 CE MET A 41 1.969 -9.407 -6.902 1.00 0.23 C ATOM 0 H MET A 41 -2.679 -7.202 -7.321 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.289 -9.828 -6.450 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.243 -7.704 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.435 -8.897 -4.682 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.192 -10.346 -5.863 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.420 -10.366 -7.113 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.485 -8.502 -6.581 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.754 -10.030 -6.034 1.00 0.23 H new ATOM 0 HE3 MET A 41 2.603 -9.959 -7.596 1.00 0.23 H new ATOM 690 N TRP A 42 -4.355 -7.446 -4.458 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.339 -7.207 -3.401 1.00 0.36 C ATOM 692 C TRP A 42 -6.756 -7.571 -3.880 1.00 0.57 C ATOM 693 O TRP A 42 -7.484 -8.310 -3.213 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.239 -5.737 -2.961 1.00 0.18 C ATOM 695 CG TRP A 42 -4.222 -5.488 -1.893 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.887 -5.362 -2.053 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.448 -5.391 -0.460 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.285 -5.189 -0.820 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.199 -5.288 0.201 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.600 -5.403 0.340 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.096 -5.286 1.595 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.519 -5.404 1.745 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.263 -5.385 2.372 1.00 -0.15 C ATOM 0 H TRP A 42 -3.994 -6.593 -4.885 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.129 -7.846 -2.543 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.996 -5.125 -3.829 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.215 -5.409 -2.603 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.368 -5.392 -3.000 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.290 -5.011 -0.686 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.571 -5.412 -0.133 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.129 -5.209 2.070 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.421 -5.419 2.339 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.194 -5.446 3.448 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.135 -7.107 -5.076 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.430 -7.370 -5.693 1.00 0.36 C ATOM 716 C GLY A 43 -8.627 -8.839 -6.105 1.00 0.57 C ATOM 717 O GLY A 43 -9.742 -9.272 -6.395 1.00 -0.57 O ATOM 0 H GLY A 43 -6.530 -6.523 -5.653 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.219 -7.087 -4.997 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.540 -6.736 -6.573 1.00 0.36 H new ATOM 721 N LYS A 44 -7.554 -9.635 -6.112 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.598 -11.075 -6.344 1.00 0.36 C ATOM 723 C LYS A 44 -8.321 -11.810 -5.219 1.00 0.57 C ATOM 724 O LYS A 44 -8.719 -12.956 -5.423 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.178 -11.647 -6.521 1.00 0.00 C ATOM 726 CG LYS A 44 -5.950 -12.131 -7.958 1.00 0.00 C ATOM 727 CD LYS A 44 -4.632 -12.906 -8.065 1.00 0.00 C ATOM 728 CE LYS A 44 -4.399 -13.358 -9.513 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.488 -14.828 -9.684 1.00 -0.85 N ATOM 0 H LYS A 44 -6.610 -9.284 -5.952 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.161 -11.233 -7.264 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.442 -10.883 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.027 -12.474 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.778 -12.768 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.932 -11.278 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.805 -12.278 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.657 -13.773 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.133 -12.878 -10.160 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -3.416 -13.019 -9.840 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -4.322 -15.072 -10.681 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.770 -15.291 -9.090 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -5.434 -15.154 -9.401 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.493 -11.177 -4.054 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.293 -11.730 -2.972 1.00 0.36 C ATOM 745 C GLU A 45 -10.628 -10.995 -2.835 1.00 0.57 C ATOM 746 O GLU A 45 -11.624 -11.635 -2.506 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.523 -11.640 -1.655 1.00 0.00 C ATOM 748 CG GLU A 45 -7.460 -12.728 -1.445 1.00 0.06 C ATOM 749 CD GLU A 45 -7.823 -13.607 -0.238 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.785 -13.097 0.870 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -8.199 -14.859 -0.480 1.00 -0.65 O ATOM 0 H GLU A 45 -8.080 -10.269 -3.841 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.499 -12.774 -3.208 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.038 -10.665 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.236 -11.687 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.380 -13.344 -2.340 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.485 -12.267 -1.287 1.00 0.06 H new ATOM 759 N ILE A 46 -10.688 -9.682 -3.100 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.913 -8.898 -2.920 1.00 0.36 C ATOM 761 C ILE A 46 -12.326 -8.246 -4.238 1.00 0.57 C ATOM 762 O ILE A 46 -11.490 -7.626 -4.886 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.775 -7.859 -1.787 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.516 -6.973 -1.915 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.828 -8.636 -0.465 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.519 -5.752 -0.993 1.00 0.00 C ATOM 0 H ILE A 46 -9.895 -9.140 -3.442 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.705 -9.582 -2.615 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.594 -7.141 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.635 -7.577 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.425 -6.636 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.734 -7.941 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.778 -9.165 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.009 -9.355 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.602 -5.181 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.379 -5.124 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.577 -6.080 0.045 1.00 0.00 H new ATOM 778 N PRO A 47 -13.611 -8.302 -4.633 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.109 -7.714 -5.878 1.00 0.36 C ATOM 780 C PRO A 47 -14.184 -6.166 -5.831 1.00 0.57 C ATOM 781 O PRO A 47 -15.113 -5.552 -6.365 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.444 -8.427 -6.132 1.00 0.00 C ATOM 783 CG PRO A 47 -15.944 -8.831 -4.746 1.00 0.00 C ATOM 784 CD PRO A 47 -14.681 -8.967 -3.906 1.00 0.30 C ATOM 0 HA PRO A 47 -13.431 -7.869 -6.717 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.155 -7.769 -6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.311 -9.298 -6.773 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.616 -8.079 -4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.499 -9.769 -4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.820 -8.513 -2.925 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.440 -10.017 -3.740 1.00 0.30 H new ATOM 792 N LEU A 48 -13.211 -5.521 -5.177 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.031 -4.076 -5.149 1.00 0.36 C ATOM 794 C LEU A 48 -12.338 -3.685 -6.458 1.00 0.57 C ATOM 795 O LEU A 48 -11.365 -4.326 -6.857 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.193 -3.705 -3.909 1.00 0.00 C ATOM 797 CG LEU A 48 -12.416 -2.270 -3.385 1.00 0.00 C ATOM 798 CD1 LEU A 48 -11.603 -2.032 -2.118 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.023 -1.169 -4.364 1.00 0.00 C ATOM 0 H LEU A 48 -12.504 -6.016 -4.634 1.00 -0.73 H new ATOM 0 HA LEU A 48 -13.976 -3.538 -5.074 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.422 -4.409 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.137 -3.829 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.491 -2.211 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.772 -1.016 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.911 -2.741 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.544 -2.169 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.214 -0.195 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.963 -1.257 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.611 -1.267 -5.277 1.00 0.00 H new ATOM 811 N HIS A 49 -12.851 -2.652 -7.124 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.356 -2.155 -8.399 1.00 0.36 C ATOM 813 C HIS A 49 -11.839 -0.728 -8.208 1.00 0.57 C ATOM 814 O HIS A 49 -12.140 -0.066 -7.213 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.488 -2.208 -9.437 1.00 0.17 C ATOM 816 CG HIS A 49 -13.984 -3.601 -9.758 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.623 -4.482 -8.907 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.900 -4.224 -10.975 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.910 -5.593 -9.601 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.505 -5.484 -10.875 1.00 -0.70 N ATOM 0 H HIS A 49 -13.650 -2.122 -6.776 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.535 -2.774 -8.761 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.326 -1.613 -9.072 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.141 -1.739 -10.358 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.839 -4.317 -7.924 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.444 -3.813 -11.863 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.402 -6.461 -9.188 1.00 0.65 H new ATOM 829 N PHE A 50 -11.057 -0.224 -9.163 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.348 1.030 -8.975 1.00 0.36 C ATOM 831 C PHE A 50 -10.408 1.829 -10.265 1.00 0.57 C ATOM 832 O PHE A 50 -10.538 1.262 -11.355 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.894 0.828 -8.483 1.00 0.14 C ATOM 834 CG PHE A 50 -8.641 -0.380 -7.590 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.649 -1.671 -8.151 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.409 -0.233 -6.208 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.505 -2.806 -7.337 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.267 -1.368 -5.391 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.323 -2.656 -5.953 1.00 -0.15 C ATOM 0 H PHE A 50 -10.902 -0.667 -10.069 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.842 1.591 -8.182 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.246 0.749 -9.356 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.590 1.723 -7.941 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.767 -1.790 -9.218 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.340 0.754 -5.775 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.534 -3.793 -7.775 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.114 -1.251 -4.328 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.226 -3.527 -5.322 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.316 3.150 -10.125 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.412 4.097 -11.225 1.00 0.36 C ATOM 851 C ARG A 51 -9.409 5.223 -11.014 1.00 0.57 C ATOM 852 O ARG A 51 -8.711 5.263 -10.002 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.862 4.615 -11.330 1.00 0.00 C ATOM 854 CG ARG A 51 -12.579 3.953 -12.514 1.00 0.00 C ATOM 855 CD ARG A 51 -14.048 4.375 -12.551 1.00 0.33 C ATOM 856 NE ARG A 51 -14.623 4.240 -13.899 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.858 4.610 -14.266 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.664 5.215 -13.386 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.267 4.386 -15.517 1.00 -0.97 N ATOM 0 H ARG A 51 -10.169 3.598 -9.221 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.166 3.612 -12.170 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.399 4.402 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.860 5.698 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.090 4.234 -13.447 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.508 2.869 -12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.619 3.766 -11.850 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.137 5.410 -12.220 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.029 3.828 -14.618 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.339 5.395 -12.436 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -17.604 5.497 -13.665 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -15.641 3.936 -16.185 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -17.205 4.664 -15.804 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.366 6.155 -11.964 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.531 7.337 -11.875 1.00 0.36 C ATOM 875 C LYS A 52 -9.414 8.571 -12.061 1.00 0.57 C ATOM 876 O LYS A 52 -10.491 8.487 -12.663 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.403 7.244 -12.916 1.00 0.00 C ATOM 878 CG LYS A 52 -6.096 7.740 -12.295 1.00 0.00 C ATOM 879 CD LYS A 52 -4.976 7.877 -13.331 1.00 0.00 C ATOM 880 CE LYS A 52 -4.046 9.032 -12.939 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.492 10.307 -13.548 1.00 -0.85 N ATOM 0 H LYS A 52 -9.916 6.105 -12.821 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.054 7.415 -10.898 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.290 6.214 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.652 7.842 -13.793 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.266 8.705 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.782 7.048 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.410 6.947 -13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.401 8.059 -14.318 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.023 9.132 -11.854 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.029 8.809 -13.260 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.855 11.074 -13.253 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -4.474 10.222 -14.584 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -5.460 10.521 -13.235 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.952 9.704 -11.538 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.567 11.016 -11.708 1.00 0.36 C ATOM 897 C VAL A 53 -8.702 11.862 -12.634 1.00 0.57 C ATOM 898 O VAL A 53 -7.546 11.527 -12.928 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.749 11.745 -10.356 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.968 11.245 -9.583 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.492 11.643 -9.492 1.00 0.00 C ATOM 0 H VAL A 53 -8.109 9.734 -10.964 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.556 10.872 -12.142 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.921 12.794 -10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.050 11.789 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.867 11.409 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.857 10.180 -9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.655 12.166 -8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.272 10.594 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.651 12.096 -10.018 1.00 0.00 H new ATOM 911 N VAL A 54 -9.287 12.996 -13.028 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.683 13.968 -13.925 1.00 0.36 C ATOM 913 C VAL A 54 -8.567 15.338 -13.250 1.00 0.57 C ATOM 914 O VAL A 54 -7.652 16.085 -13.586 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.493 14.041 -15.240 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.552 12.668 -15.929 1.00 0.00 C ATOM 917 CG2 VAL A 54 -10.932 14.554 -15.041 1.00 0.00 C ATOM 0 H VAL A 54 -10.221 13.265 -12.719 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.670 13.648 -14.168 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.963 14.758 -15.867 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.128 12.748 -16.851 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.541 12.333 -16.160 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.030 11.948 -15.265 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.445 14.581 -16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.466 13.887 -14.364 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.905 15.557 -14.616 1.00 0.00 H new ATOM 927 N TRP A 55 -9.464 15.684 -12.311 1.00 -0.73 N ATOM 928 CA TRP A 55 -9.460 16.985 -11.643 1.00 0.36 C ATOM 929 C TRP A 55 -8.178 17.204 -10.838 1.00 0.57 C ATOM 930 O TRP A 55 -7.531 18.238 -10.986 1.00 -0.57 O ATOM 931 CB TRP A 55 -10.674 17.098 -10.708 1.00 0.18 C ATOM 932 CG TRP A 55 -11.926 17.644 -11.321 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -12.601 17.115 -12.365 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -12.705 18.807 -10.897 1.00 0.00 C ATOM 935 NE1 TRP A 55 -13.720 17.877 -12.630 1.00 0.03 N ATOM 936 CE2 TRP A 55 -13.826 18.947 -11.768 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.598 19.732 -9.837 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -14.772 19.973 -11.623 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -13.563 20.740 -9.660 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -14.636 20.876 -10.557 1.00 -0.15 C ATOM 0 H TRP A 55 -10.211 15.064 -11.997 1.00 -0.73 H new ATOM 0 HA TRP A 55 -9.512 17.752 -12.416 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.891 16.108 -10.306 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -10.400 17.731 -9.864 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -12.309 16.229 -12.910 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -14.388 17.673 -13.374 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -11.765 19.665 -9.153 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -15.591 20.066 -12.320 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -13.478 21.418 -8.824 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -15.354 21.673 -10.427 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.831 16.246 -9.976 1.00 -0.73 N ATOM 952 CA GLY A 56 -6.674 16.332 -9.111 1.00 0.36 C ATOM 953 C GLY A 56 -6.778 15.264 -8.035 1.00 0.57 C ATOM 954 O GLY A 56 -6.896 14.095 -8.381 1.00 -0.57 O ATOM 0 H GLY A 56 -8.359 15.381 -9.865 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -5.761 16.195 -9.690 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -6.618 17.321 -8.655 1.00 0.36 H new ATOM 958 N THR A 57 -6.701 15.650 -6.760 1.00 -0.73 N ATOM 959 CA THR A 57 -6.786 14.741 -5.611 1.00 0.36 C ATOM 960 C THR A 57 -7.955 13.737 -5.698 1.00 0.57 C ATOM 961 O THR A 57 -8.977 13.999 -6.337 1.00 -0.57 O ATOM 962 CB THR A 57 -6.818 15.567 -4.312 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.632 14.713 -3.206 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.124 16.359 -4.138 1.00 0.00 C ATOM 0 H THR A 57 -6.575 16.625 -6.489 1.00 -0.73 H new ATOM 0 HA THR A 57 -5.894 14.115 -5.616 1.00 0.36 H new ATOM 0 HB THR A 57 -6.009 16.295 -4.375 1.00 0.28 H new ATOM 0 HG1 THR A 57 -5.678 14.513 -3.104 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.087 16.921 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.245 17.049 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.967 15.669 -4.113 1.00 0.00 H new ATOM 972 N ALA A 58 -7.807 12.594 -5.015 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.688 11.436 -5.114 1.00 0.36 C ATOM 974 C ALA A 58 -8.868 10.766 -3.747 1.00 0.57 C ATOM 975 O ALA A 58 -8.364 11.249 -2.725 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.073 10.448 -6.111 1.00 0.00 C ATOM 0 H ALA A 58 -7.041 12.451 -4.356 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.672 11.755 -5.457 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.717 9.573 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.975 10.927 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.089 10.140 -5.758 1.00 0.00 H new ATOM 982 N ASP A 59 -9.561 9.619 -3.736 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.678 8.783 -2.546 1.00 0.36 C ATOM 984 C ASP A 59 -8.279 8.330 -2.115 1.00 0.57 C ATOM 985 O ASP A 59 -7.977 8.409 -0.929 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.553 7.540 -2.782 1.00 0.06 C ATOM 987 CG ASP A 59 -11.950 7.790 -3.354 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.383 6.979 -4.156 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.658 8.809 -2.875 1.00 -0.65 O ATOM 0 H ASP A 59 -10.052 9.251 -4.551 1.00 -0.73 H new ATOM 0 HA ASP A 59 -10.156 9.381 -1.771 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.021 6.871 -3.459 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.661 7.013 -1.834 1.00 0.06 H new ATOM 995 N ILE A 60 -7.431 7.945 -3.088 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.086 7.392 -2.901 1.00 0.36 C ATOM 997 C ILE A 60 -5.090 8.261 -3.690 1.00 0.57 C ATOM 998 O ILE A 60 -4.717 7.999 -4.833 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.070 5.904 -3.326 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.026 5.038 -2.477 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.659 5.285 -3.272 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.582 3.877 -3.295 1.00 0.00 C ATOM 0 H ILE A 60 -7.683 8.017 -4.074 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.788 7.415 -1.853 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.414 5.905 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.497 4.653 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.846 5.652 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.708 4.241 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.996 5.831 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.274 5.345 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.252 3.283 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.131 4.266 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.760 3.251 -3.644 1.00 0.00 H new ATOM 1014 N MET A 61 -4.688 9.369 -3.096 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.675 10.261 -3.612 1.00 0.36 C ATOM 1016 C MET A 61 -2.317 9.643 -3.275 1.00 0.57 C ATOM 1017 O MET A 61 -1.986 9.472 -2.101 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.861 11.659 -3.004 1.00 0.00 C ATOM 1019 CG MET A 61 -3.385 12.737 -3.979 1.00 0.23 C ATOM 1020 SD MET A 61 -3.219 14.392 -3.258 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.733 14.133 -2.254 1.00 0.23 C ATOM 0 H MET A 61 -5.076 9.682 -2.206 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.748 10.384 -4.693 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.911 11.819 -2.761 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.303 11.733 -2.071 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.421 12.436 -4.389 1.00 0.23 H new ATOM 0 HG3 MET A 61 -4.085 12.788 -4.813 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.200 15.077 -2.143 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.019 13.760 -1.270 1.00 0.23 H new ATOM 0 HE3 MET A 61 -1.085 13.406 -2.744 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.534 9.296 -4.294 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.218 8.690 -4.135 1.00 0.36 C ATOM 1033 C ILE A 62 0.773 9.772 -4.542 1.00 0.57 C ATOM 1034 O ILE A 62 0.636 10.363 -5.612 1.00 -0.57 O ATOM 1035 CB ILE A 62 -0.095 7.415 -4.995 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -1.083 6.318 -4.528 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.336 6.850 -4.951 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.681 5.566 -5.721 1.00 0.00 C ATOM 0 H ILE A 62 -1.802 9.431 -5.269 1.00 -0.73 H new ATOM 0 HA ILE A 62 -0.029 8.362 -3.113 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.339 7.702 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.567 5.615 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.883 6.771 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.392 5.952 -5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.033 7.595 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.598 6.602 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.371 4.802 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.217 6.267 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.881 5.093 -6.291 1.00 0.00 H new ATOM 1050 N GLY A 63 1.771 10.042 -3.702 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.773 11.046 -4.014 1.00 0.36 C ATOM 1052 C GLY A 63 4.141 10.662 -3.507 1.00 0.57 C ATOM 1053 O GLY A 63 4.299 9.780 -2.670 1.00 -0.57 O ATOM 0 H GLY A 63 1.903 9.578 -2.803 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.815 11.192 -5.093 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.479 11.999 -3.575 1.00 0.36 H new ATOM 1057 N PHE A 64 5.140 11.359 -4.020 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.532 11.109 -3.732 1.00 0.36 C ATOM 1059 C PHE A 64 7.147 12.470 -3.409 1.00 0.57 C ATOM 1060 O PHE A 64 6.759 13.499 -3.986 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.221 10.364 -4.896 1.00 0.14 C ATOM 1062 CG PHE A 64 6.516 9.102 -5.382 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.325 9.213 -6.115 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.019 7.818 -5.100 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.636 8.078 -6.567 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.300 6.674 -5.497 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.117 6.800 -6.249 1.00 -0.15 C ATOM 0 H PHE A 64 4.996 12.135 -4.666 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.665 10.442 -2.880 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.317 11.051 -5.737 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.231 10.097 -4.585 1.00 0.14 H new ATOM 0 HD1 PHE A 64 4.930 10.194 -6.336 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.958 7.710 -4.578 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.739 8.188 -7.158 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.659 5.693 -5.222 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.584 5.920 -6.578 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.043 12.463 -2.424 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.723 13.629 -1.882 1.00 0.36 C ATOM 1079 C ALA A 65 10.145 13.214 -1.513 1.00 0.57 C ATOM 1080 O ALA A 65 10.428 12.029 -1.416 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.963 14.110 -0.642 1.00 0.00 C ATOM 0 H ALA A 65 8.326 11.599 -1.962 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.757 14.441 -2.608 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.463 14.985 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.943 14.373 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.942 13.315 0.103 1.00 0.00 H new ATOM 1087 N ARG A 66 11.049 14.168 -1.289 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.479 13.884 -1.128 1.00 0.36 C ATOM 1089 C ARG A 66 13.055 14.616 0.087 1.00 0.57 C ATOM 1090 O ARG A 66 14.111 15.238 0.007 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.217 14.167 -2.450 1.00 0.00 C ATOM 1092 CG ARG A 66 13.135 15.634 -2.918 1.00 0.00 C ATOM 1093 CD ARG A 66 12.245 15.861 -4.155 1.00 0.33 C ATOM 1094 NE ARG A 66 12.948 16.673 -5.169 1.00 -0.84 N ATOM 1095 CZ ARG A 66 13.886 16.232 -6.022 1.00 1.20 C ATOM 1096 NH1 ARG A 66 14.249 14.947 -6.058 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.476 17.086 -6.856 1.00 -0.97 N ATOM 0 H ARG A 66 10.814 15.158 -1.214 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.627 12.826 -0.912 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.265 13.892 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.804 13.525 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.757 16.243 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.142 15.988 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.962 14.900 -4.585 1.00 0.33 H new ATOM 0 HD3 ARG A 66 11.323 16.361 -3.858 1.00 0.33 H new ATOM 0 HE ARG A 66 12.698 17.660 -5.226 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 13.811 14.275 -5.428 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 14.964 14.637 -6.716 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.215 18.072 -6.845 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.189 16.754 -7.505 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.301 14.618 1.189 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.715 15.242 2.436 1.00 0.36 C ATOM 1113 C GLY A 67 11.520 15.724 3.247 1.00 0.57 C ATOM 1114 O GLY A 67 11.457 15.464 4.440 1.00 -0.57 O ATOM 0 H GLY A 67 11.380 14.182 1.235 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.292 14.530 3.026 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.373 16.084 2.221 1.00 0.36 H new ATOM 1118 N ALA A 68 10.553 16.409 2.619 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.309 16.817 3.265 1.00 0.36 C ATOM 1120 C ALA A 68 8.253 17.169 2.209 1.00 0.57 C ATOM 1121 O ALA A 68 8.558 17.282 1.017 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.561 18.007 4.208 1.00 0.00 C ATOM 0 H ALA A 68 10.618 16.695 1.642 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.932 15.986 3.861 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.624 18.300 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.281 17.718 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.956 18.847 3.637 1.00 0.00 H new ATOM 1128 N HIS A 69 7.011 17.342 2.669 1.00 -0.73 N ATOM 1129 CA HIS A 69 5.839 17.661 1.867 1.00 0.36 C ATOM 1130 C HIS A 69 4.764 18.260 2.779 1.00 0.57 C ATOM 1131 O HIS A 69 4.802 18.054 3.995 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.319 16.401 1.151 1.00 0.17 C ATOM 1133 CG HIS A 69 5.181 15.143 1.982 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.135 15.019 3.358 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.067 13.880 1.472 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.030 13.717 3.652 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.946 12.984 2.532 1.00 -0.70 N ATOM 0 H HIS A 69 6.790 17.258 3.661 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.103 18.389 1.100 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.343 16.633 0.724 1.00 0.17 H new ATOM 0 HB3 HIS A 69 5.988 16.185 0.318 1.00 0.17 H new ATOM 0 HD1 HIS A 69 5.174 15.785 4.031 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.070 13.620 0.424 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.015 13.313 4.653 1.00 0.65 H new ATOM 1146 N GLY A 70 3.805 18.981 2.188 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.757 19.712 2.892 1.00 0.36 C ATOM 1148 C GLY A 70 1.518 18.848 3.098 1.00 0.57 C ATOM 1149 O GLY A 70 0.451 19.165 2.573 1.00 -0.57 O ATOM 0 H GLY A 70 3.739 19.072 1.174 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.132 20.049 3.858 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.490 20.604 2.325 1.00 0.36 H new ATOM 1153 N ASP A 71 1.675 17.736 3.818 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.620 16.759 4.053 1.00 0.36 C ATOM 1155 C ASP A 71 0.100 16.869 5.492 1.00 0.57 C ATOM 1156 O ASP A 71 -1.066 17.221 5.679 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.144 15.349 3.711 1.00 0.06 C ATOM 1158 CG ASP A 71 2.246 14.827 4.640 1.00 0.66 C ATOM 1159 OD1 ASP A 71 3.049 15.632 5.081 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.223 13.537 4.962 1.00 -0.65 O ATOM 0 H ASP A 71 2.559 17.488 4.262 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.230 16.961 3.402 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.307 14.651 3.735 1.00 0.06 H new ATOM 0 HB3 ASP A 71 1.524 15.356 2.689 1.00 0.06 H new ATOM 1166 N SER A 72 0.979 16.629 6.474 1.00 -0.73 N ATOM 1167 CA SER A 72 0.730 16.530 7.907 1.00 0.36 C ATOM 1168 C SER A 72 2.047 16.248 8.652 1.00 0.57 C ATOM 1169 O SER A 72 2.235 16.775 9.749 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.263 15.391 8.188 1.00 0.28 C ATOM 1171 OG SER A 72 -0.718 15.425 9.527 1.00 -0.68 O ATOM 0 H SER A 72 1.966 16.488 6.261 1.00 -0.73 H new ATOM 0 HA SER A 72 0.311 17.474 8.255 1.00 0.36 H new ATOM 0 HB2 SER A 72 -1.113 15.471 7.511 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.214 14.432 7.988 1.00 0.28 H new ATOM 0 HG SER A 72 -0.419 14.617 9.995 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.977 15.464 8.070 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.182 15.003 8.756 1.00 0.36 C ATOM 1179 C TYR A 73 5.379 15.161 7.819 1.00 0.57 C ATOM 1180 O TYR A 73 5.374 14.574 6.737 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.050 13.530 9.181 1.00 0.14 C ATOM 1182 CG TYR A 73 2.921 13.261 10.154 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.072 13.575 11.518 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.709 12.717 9.686 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.006 13.374 12.413 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.639 12.517 10.573 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.776 12.861 11.936 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.277 12.685 12.782 1.00 -0.53 O ATOM 0 H TYR A 73 2.905 15.136 7.107 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.324 15.603 9.655 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.900 12.919 8.291 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.988 13.209 9.634 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.010 13.972 11.878 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.603 12.453 8.644 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.125 13.610 13.460 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.290 12.100 10.213 1.00 -0.15 H new ATOM 0 HH TYR A 73 -1.040 12.325 12.284 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.426 15.907 8.213 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.624 15.987 7.405 1.00 0.36 C ATOM 1200 C PRO A 74 8.270 14.600 7.359 1.00 0.57 C ATOM 1201 O PRO A 74 8.411 13.929 8.385 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.510 17.053 8.051 1.00 0.00 C ATOM 1203 CG PRO A 74 8.034 17.141 9.502 1.00 0.00 C ATOM 1204 CD PRO A 74 6.630 16.532 9.511 1.00 0.30 C ATOM 0 HA PRO A 74 7.435 16.275 6.371 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.563 16.776 7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.407 18.012 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.702 16.595 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.015 18.175 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.534 15.798 10.311 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.878 17.300 9.691 1.00 0.30 H new ATOM 1212 N PHE A 75 8.640 14.193 6.144 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.513 13.063 5.881 1.00 0.36 C ATOM 1214 C PHE A 75 10.920 13.307 6.472 1.00 0.57 C ATOM 1215 O PHE A 75 11.165 14.197 7.291 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.526 12.789 4.351 1.00 0.14 C ATOM 1217 CG PHE A 75 8.624 11.677 3.847 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.591 10.409 4.466 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.899 11.881 2.661 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.790 9.383 3.934 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.137 10.844 2.104 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.062 9.605 2.756 1.00 -0.15 C ATOM 0 H PHE A 75 8.327 14.660 5.293 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.139 12.167 6.377 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.248 13.710 3.839 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.549 12.556 4.056 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.183 10.226 5.351 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 7.929 12.845 2.174 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.736 8.426 4.432 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.609 10.999 1.175 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.442 8.819 2.350 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.841 12.455 6.043 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.192 12.230 6.522 1.00 0.36 C ATOM 1234 C ASP A 76 14.152 12.159 5.316 1.00 0.57 C ATOM 1235 O ASP A 76 15.255 12.696 5.402 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.176 10.864 7.251 1.00 0.06 C ATOM 1237 CG ASP A 76 12.542 9.712 6.446 1.00 0.66 C ATOM 1238 OD1 ASP A 76 11.967 9.942 5.395 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.614 8.470 6.916 1.00 -0.65 O ATOM 0 H ASP A 76 11.631 11.835 5.261 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.522 13.030 7.185 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.200 10.591 7.505 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.633 10.975 8.190 1.00 0.06 H new ATOM 1245 N GLY A 77 13.752 11.550 4.189 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.603 11.348 3.027 1.00 0.36 C ATOM 1247 C GLY A 77 15.331 9.998 3.121 1.00 0.57 C ATOM 1248 O GLY A 77 14.702 9.013 3.512 1.00 -0.57 O ATOM 0 H GLY A 77 12.809 11.181 4.067 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.002 11.381 2.118 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.331 12.156 2.957 1.00 0.36 H new ATOM 1252 N PRO A 78 16.623 9.912 2.741 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.387 8.668 2.684 1.00 0.36 C ATOM 1254 C PRO A 78 17.740 8.163 4.097 1.00 0.57 C ATOM 1255 O PRO A 78 18.730 8.596 4.699 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.619 8.987 1.824 1.00 0.00 C ATOM 1257 CG PRO A 78 18.835 10.489 2.000 1.00 0.00 C ATOM 1258 CD PRO A 78 17.467 11.045 2.391 1.00 0.30 C ATOM 0 HA PRO A 78 16.819 7.850 2.241 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.490 8.420 2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.449 8.731 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.578 10.693 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.198 10.946 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.558 11.731 3.233 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.031 11.608 1.566 1.00 0.30 H new ATOM 1266 N GLY A 79 16.919 7.255 4.632 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.058 6.650 5.953 1.00 0.36 C ATOM 1268 C GLY A 79 15.700 6.647 6.652 1.00 0.57 C ATOM 1269 O GLY A 79 14.798 7.311 6.166 1.00 -0.57 O ATOM 0 H GLY A 79 16.102 6.908 4.130 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.435 5.631 5.861 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.784 7.206 6.546 1.00 0.36 H new ATOM 1273 N ASN A 80 15.570 5.967 7.803 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.315 5.804 8.566 1.00 0.36 C ATOM 1275 C ASN A 80 13.133 5.340 7.669 1.00 0.57 C ATOM 1276 O ASN A 80 13.390 4.726 6.637 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.057 7.074 9.411 1.00 0.06 C ATOM 1278 CG ASN A 80 13.376 6.802 10.742 1.00 0.57 C ATOM 1279 OD1 ASN A 80 12.695 5.799 10.913 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.527 7.701 11.709 1.00 -0.80 N ATOM 0 H ASN A 80 16.361 5.499 8.245 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.416 4.983 9.276 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.008 7.574 9.596 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.441 7.764 8.834 1.00 0.06 H new ATOM 0 HD21 ASN A 80 13.072 7.561 12.611 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 14.098 8.531 11.549 1.00 -0.80 H new ATOM 1287 N THR A 81 11.863 5.528 8.070 1.00 -0.73 N ATOM 1288 CA THR A 81 10.632 5.220 7.314 1.00 0.36 C ATOM 1289 C THR A 81 10.718 5.639 5.836 1.00 0.57 C ATOM 1290 O THR A 81 10.982 6.788 5.552 1.00 -0.57 O ATOM 1291 CB THR A 81 9.478 5.978 8.004 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.308 5.447 9.301 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.117 5.938 7.295 1.00 0.00 C ATOM 0 H THR A 81 11.654 5.923 8.987 1.00 -0.73 H new ATOM 0 HA THR A 81 10.475 4.141 7.316 1.00 0.36 H new ATOM 0 HB THR A 81 9.782 7.025 7.992 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.579 5.919 9.755 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.388 6.505 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.211 6.377 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.784 4.904 7.205 1.00 0.00 H new ATOM 1301 N LEU A 82 10.425 4.751 4.884 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.597 4.955 3.447 1.00 0.36 C ATOM 1303 C LEU A 82 9.314 5.433 2.749 1.00 0.57 C ATOM 1304 O LEU A 82 9.369 6.015 1.665 1.00 -0.57 O ATOM 1305 CB LEU A 82 11.013 3.625 2.803 1.00 0.00 C ATOM 1306 CG LEU A 82 12.352 3.025 3.285 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.342 2.355 4.666 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.733 1.927 2.302 1.00 0.00 C ATOM 0 H LEU A 82 10.045 3.831 5.105 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.355 5.728 3.325 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.225 2.895 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.071 3.770 1.724 1.00 0.00 H new ATOM 0 HG LEU A 82 13.037 3.871 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.338 1.973 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.053 3.085 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.629 1.531 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.677 1.476 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.954 1.165 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.841 2.353 1.305 1.00 0.00 H new ATOM 1320 N ALA A 83 8.146 5.143 3.328 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.847 5.555 2.826 1.00 0.36 C ATOM 1322 C ALA A 83 5.856 5.471 3.984 1.00 0.57 C ATOM 1323 O ALA A 83 6.125 4.808 4.987 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.419 4.659 1.653 1.00 0.00 C ATOM 0 H ALA A 83 8.084 4.597 4.187 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.884 6.577 2.448 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.444 4.980 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.151 4.737 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.358 3.624 1.989 1.00 0.00 H new ATOM 1330 N HIS A 84 4.715 6.139 3.852 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.626 6.020 4.804 1.00 0.36 C ATOM 1332 C HIS A 84 2.297 6.151 4.069 1.00 0.57 C ATOM 1333 O HIS A 84 2.241 6.593 2.917 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.801 7.023 5.965 1.00 0.17 C ATOM 1335 CG HIS A 84 3.904 8.497 5.626 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.466 9.461 6.437 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.425 9.152 4.519 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.329 10.652 5.830 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.700 10.513 4.656 1.00 -0.70 N ATOM 0 H HIS A 84 4.523 6.778 3.080 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.636 5.035 5.270 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.959 6.895 6.646 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.700 6.744 6.514 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.909 9.298 7.341 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 2.920 8.691 3.683 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.678 11.591 6.233 1.00 0.65 H new ATOM 1348 N ALA A 85 1.212 5.814 4.764 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.139 5.901 4.252 1.00 0.36 C ATOM 1350 C ALA A 85 -1.067 6.237 5.409 1.00 0.57 C ATOM 1351 O ALA A 85 -0.720 6.026 6.576 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.519 4.570 3.601 1.00 0.00 C ATOM 0 H ALA A 85 1.258 5.465 5.721 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.221 6.681 3.495 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.536 4.632 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.168 4.356 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.460 3.773 4.342 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.248 6.748 5.071 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.249 7.151 6.045 1.00 0.36 C ATOM 1360 C PHE A 86 -4.428 6.178 5.931 1.00 0.57 C ATOM 1361 O PHE A 86 -4.720 5.678 4.844 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.629 8.621 5.792 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.457 9.553 5.470 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.318 9.634 6.296 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.479 10.294 4.278 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.224 10.439 5.918 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.397 11.103 3.897 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.262 11.174 4.722 1.00 -0.15 C ATOM 0 H PHE A 86 -2.536 6.894 4.103 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.880 7.102 7.069 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.339 8.659 4.966 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.144 9.003 6.673 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.283 9.078 7.221 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.348 10.240 3.639 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.649 10.491 6.552 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.437 11.667 2.977 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.578 11.791 4.438 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.104 5.895 7.052 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.286 5.032 7.063 1.00 0.36 C ATOM 1380 C ALA A 87 -7.369 5.605 6.145 1.00 0.57 C ATOM 1381 O ALA A 87 -7.402 6.824 5.972 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.821 4.915 8.490 1.00 0.00 C ATOM 0 H ALA A 87 -4.847 6.257 7.970 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.008 4.043 6.699 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.701 4.272 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.053 4.485 9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.091 5.904 8.859 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.249 4.783 5.549 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.258 5.275 4.628 1.00 0.36 C ATOM 1390 C PRO A 88 -10.265 6.186 5.331 1.00 0.57 C ATOM 1391 O PRO A 88 -10.375 6.219 6.557 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.913 4.046 4.007 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.583 2.893 4.932 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.386 3.355 5.766 1.00 0.30 C ATOM 0 HA PRO A 88 -8.813 5.896 3.851 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -10.991 4.180 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.530 3.864 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.432 2.648 5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.341 1.994 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.544 3.138 6.822 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.480 2.830 5.465 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.026 6.925 4.526 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.074 7.791 5.029 1.00 0.36 C ATOM 1404 C GLY A 89 -12.814 8.417 3.860 1.00 0.57 C ATOM 1405 O GLY A 89 -13.732 7.795 3.325 1.00 -0.57 O ATOM 0 H GLY A 89 -10.929 6.936 3.511 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.766 7.221 5.649 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.646 8.569 5.662 1.00 0.36 H new ATOM 1409 N THR A 90 -12.366 9.618 3.465 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.930 10.421 2.376 1.00 0.36 C ATOM 1411 C THR A 90 -11.881 11.433 1.880 1.00 0.57 C ATOM 1412 O THR A 90 -11.642 11.514 0.677 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.204 11.144 2.884 1.00 0.28 C ATOM 1414 OG1 THR A 90 -15.286 10.242 2.996 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.693 12.281 1.983 1.00 0.00 C ATOM 0 H THR A 90 -11.570 10.072 3.914 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.203 9.778 1.540 1.00 0.36 H new ATOM 0 HB THR A 90 -13.901 11.560 3.845 1.00 0.28 H new ATOM 0 HG1 THR A 90 -14.949 9.322 2.971 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.588 12.729 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.913 13.038 1.897 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.927 11.887 0.994 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.264 12.200 2.794 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.348 13.292 2.463 1.00 0.36 C ATOM 1425 C GLY A 91 -8.913 12.785 2.379 1.00 0.57 C ATOM 1426 O GLY A 91 -8.638 11.908 1.569 1.00 -0.57 O ATOM 0 H GLY A 91 -11.393 12.073 3.798 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.637 13.740 1.512 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.419 14.074 3.219 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.007 13.315 3.217 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.621 12.838 3.334 1.00 0.36 C ATOM 1432 C LEU A 92 -6.556 11.323 3.590 1.00 0.57 C ATOM 1433 O LEU A 92 -5.617 10.671 3.150 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.894 13.620 4.450 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.413 13.203 4.669 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.419 14.284 4.227 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.164 12.816 6.130 1.00 0.00 C ATOM 0 H LEU A 92 -8.220 14.095 3.839 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.117 13.019 2.385 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.928 14.683 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.438 13.485 5.385 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.241 12.333 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.401 13.937 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.553 14.489 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.595 15.196 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.120 12.528 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.387 13.666 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.807 11.978 6.399 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.544 10.746 4.282 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.595 9.309 4.504 1.00 0.36 C ATOM 1451 C GLY A 93 -7.367 8.516 3.211 1.00 0.57 C ATOM 1452 O GLY A 93 -7.797 8.940 2.137 1.00 -0.57 O ATOM 0 H GLY A 93 -8.320 11.261 4.697 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.839 9.029 5.238 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.564 9.042 4.926 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.654 7.392 3.324 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.230 6.530 2.231 1.00 0.36 C ATOM 1458 C GLY A 94 -4.902 6.962 1.626 1.00 0.57 C ATOM 1459 O GLY A 94 -4.099 6.095 1.265 1.00 -0.57 O ATOM 0 H GLY A 94 -6.343 7.045 4.232 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.144 5.506 2.594 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.996 6.530 1.455 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.695 8.278 1.501 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.614 8.858 0.708 1.00 0.36 C ATOM 1465 C ASP A 95 -2.278 8.374 1.270 1.00 0.57 C ATOM 1466 O ASP A 95 -2.154 8.064 2.459 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.753 10.405 0.637 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.113 10.806 0.045 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.641 10.033 -0.737 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.743 11.934 0.360 1.00 -0.65 O ATOM 0 H ASP A 95 -5.284 8.976 1.955 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.668 8.521 -0.327 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.647 10.830 1.635 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.950 10.819 0.027 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.284 8.259 0.394 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.019 7.642 0.729 1.00 0.36 C ATOM 1478 C ALA A 96 1.104 8.422 0.080 1.00 0.57 C ATOM 1479 O ALA A 96 0.961 8.966 -1.020 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.014 6.167 0.309 1.00 0.00 C ATOM 0 H ALA A 96 -1.340 8.594 -0.568 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.130 7.665 1.808 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.945 5.718 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.814 5.638 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.169 6.095 -0.767 1.00 0.00 H new ATOM 1486 N HIS A 97 2.243 8.457 0.768 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.409 9.164 0.284 1.00 0.36 C ATOM 1488 C HIS A 97 4.645 8.312 0.472 1.00 0.57 C ATOM 1489 O HIS A 97 4.687 7.441 1.340 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.584 10.533 0.943 1.00 0.17 C ATOM 1491 CG HIS A 97 2.433 11.489 0.776 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.900 12.242 1.796 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.781 11.804 -0.382 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.908 12.981 1.267 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.822 12.739 -0.054 1.00 -0.70 N ATOM 0 H HIS A 97 2.376 7.997 1.669 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.259 9.351 -0.779 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.757 10.383 2.009 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.482 10.999 0.537 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.978 11.399 -1.364 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.278 13.663 1.818 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.162 13.172 -0.700 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.655 8.601 -0.341 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.850 7.798 -0.500 1.00 0.36 C ATOM 1506 C PHE A 98 8.052 8.742 -0.558 1.00 0.57 C ATOM 1507 O PHE A 98 7.950 9.849 -1.101 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.720 7.010 -1.814 1.00 0.14 C ATOM 1509 CG PHE A 98 5.608 5.969 -1.870 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.261 6.358 -2.019 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.918 4.596 -1.785 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.232 5.403 -1.996 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.890 3.635 -1.810 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.548 4.039 -1.904 1.00 -0.15 C ATOM 0 H PHE A 98 5.658 9.435 -0.928 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.981 7.101 0.328 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.564 7.721 -2.625 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.668 6.508 -2.007 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.018 7.402 -2.152 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.948 4.281 -1.700 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.200 5.717 -2.049 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.134 2.584 -1.757 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.760 3.300 -1.905 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.193 8.306 -0.026 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.454 9.017 -0.177 1.00 0.36 C ATOM 1526 C ASP A 99 11.018 8.712 -1.563 1.00 0.57 C ATOM 1527 O ASP A 99 11.617 7.663 -1.769 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.475 8.550 0.849 1.00 0.06 C ATOM 1529 CG ASP A 99 11.304 9.151 2.227 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.357 10.366 2.324 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.232 8.269 3.220 1.00 -0.65 O ATOM 0 H ASP A 99 9.265 7.449 0.522 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.268 10.082 -0.039 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.418 7.465 0.931 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.474 8.790 0.484 1.00 0.06 H new ATOM 1537 N GLU A 100 10.878 9.624 -2.518 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.504 9.542 -3.834 1.00 0.36 C ATOM 1539 C GLU A 100 13.038 9.470 -3.736 1.00 0.57 C ATOM 1540 O GLU A 100 13.684 8.979 -4.656 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.090 10.778 -4.650 1.00 0.00 C ATOM 1542 CG GLU A 100 11.015 10.496 -6.156 1.00 0.06 C ATOM 1543 CD GLU A 100 10.746 11.787 -6.943 1.00 0.66 C ATOM 1544 OE1 GLU A 100 9.792 12.471 -6.609 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.612 12.115 -7.897 1.00 -0.65 O ATOM 0 H GLU A 100 10.311 10.463 -2.396 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.168 8.628 -4.323 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.119 11.129 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.803 11.582 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.950 10.048 -6.493 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.225 9.772 -6.356 1.00 0.06 H new ATOM 1553 N ASP A 101 13.617 9.975 -2.635 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.058 9.911 -2.375 1.00 0.36 C ATOM 1555 C ASP A 101 15.508 8.472 -2.095 1.00 0.57 C ATOM 1556 O ASP A 101 16.598 8.062 -2.494 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.419 10.804 -1.176 1.00 0.06 C ATOM 1558 CG ASP A 101 16.871 11.322 -1.217 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.771 10.661 -1.710 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.056 12.560 -0.769 1.00 -0.65 O ATOM 0 H ASP A 101 13.091 10.442 -1.896 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.575 10.268 -3.266 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.738 11.654 -1.147 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.267 10.242 -0.254 1.00 0.06 H new ATOM 1566 N GLU A 102 14.660 7.691 -1.414 1.00 -0.73 N ATOM 1567 CA GLU A 102 14.963 6.295 -1.147 1.00 0.36 C ATOM 1568 C GLU A 102 14.877 5.570 -2.488 1.00 0.57 C ATOM 1569 O GLU A 102 13.939 5.752 -3.258 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.026 5.705 -0.079 1.00 0.00 C ATOM 1571 CG GLU A 102 14.199 6.419 1.282 1.00 0.06 C ATOM 1572 CD GLU A 102 14.876 5.639 2.408 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.587 6.000 3.537 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.776 4.702 2.121 1.00 -0.65 O ATOM 0 H GLU A 102 13.764 8.008 -1.043 1.00 -0.73 H new ATOM 0 HA GLU A 102 15.962 6.178 -0.727 1.00 0.36 H new ATOM 0 HB2 GLU A 102 12.992 5.796 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.230 4.641 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.772 7.331 1.113 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.212 6.723 1.630 1.00 0.06 H new ATOM 1582 N ARG A 103 15.900 4.776 -2.789 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.980 3.993 -4.014 1.00 0.36 C ATOM 1584 C ARG A 103 14.756 3.076 -4.145 1.00 0.57 C ATOM 1585 O ARG A 103 14.355 2.432 -3.176 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.305 3.221 -3.993 1.00 0.00 C ATOM 1587 CG ARG A 103 17.389 2.191 -2.845 1.00 0.00 C ATOM 1588 CD ARG A 103 18.695 2.233 -2.042 1.00 0.33 C ATOM 1589 NE ARG A 103 18.577 3.088 -0.840 1.00 -0.84 N ATOM 1590 CZ ARG A 103 18.116 2.709 0.368 1.00 1.20 C ATOM 1591 NH1 ARG A 103 17.699 1.464 0.598 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 18.068 3.590 1.361 1.00 -0.97 N ATOM 0 H ARG A 103 16.708 4.658 -2.178 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.967 4.636 -4.894 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.434 2.706 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 103 18.129 3.928 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 103 16.554 2.357 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.267 1.191 -3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 103 18.970 1.222 -1.742 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.499 2.607 -2.676 1.00 0.33 H new ATOM 0 HE ARG A 103 18.874 4.059 -0.935 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 17.724 0.771 -0.150 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 17.355 1.204 1.522 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 18.379 4.549 1.207 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 17.720 3.307 2.277 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.216 2.946 -5.358 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.019 2.161 -5.624 1.00 0.36 C ATOM 1608 C TRP A 104 13.339 1.230 -6.786 1.00 0.57 C ATOM 1609 O TRP A 104 13.642 1.710 -7.870 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.856 3.107 -5.961 1.00 0.18 C ATOM 1611 CG TRP A 104 11.346 3.952 -4.830 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.430 5.299 -4.762 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.768 3.533 -3.551 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.966 5.734 -3.541 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.537 4.695 -2.757 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.473 2.291 -2.945 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.046 4.642 -1.444 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.972 2.224 -1.628 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.748 3.394 -0.881 1.00 -0.15 C ATOM 0 H TRP A 104 14.605 3.390 -6.190 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.720 1.572 -4.757 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.173 3.768 -6.768 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.028 2.511 -6.345 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.805 5.938 -5.548 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.944 6.713 -3.254 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.634 1.378 -3.499 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.900 5.549 -0.876 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.758 1.261 -1.188 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.349 3.331 0.121 1.00 -0.15 H new ATOM 1630 N THR A 105 13.280 -0.088 -6.571 1.00 -0.73 N ATOM 1631 CA THR A 105 13.608 -1.091 -7.587 1.00 0.36 C ATOM 1632 C THR A 105 12.337 -1.876 -7.918 1.00 0.57 C ATOM 1633 O THR A 105 11.509 -2.097 -7.034 1.00 -0.57 O ATOM 1634 CB THR A 105 14.779 -1.973 -7.087 1.00 0.28 C ATOM 1635 OG1 THR A 105 15.364 -2.722 -8.129 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.418 -2.986 -5.995 1.00 0.00 C ATOM 0 H THR A 105 13.000 -0.492 -5.677 1.00 -0.73 H new ATOM 0 HA THR A 105 13.953 -0.631 -8.513 1.00 0.36 H new ATOM 0 HB THR A 105 15.464 -1.233 -6.672 1.00 0.28 H new ATOM 0 HG1 THR A 105 16.099 -3.262 -7.771 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.307 -3.552 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.035 -2.458 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.656 -3.669 -6.370 1.00 0.00 H new ATOM 1644 N ASP A 106 12.180 -2.343 -9.162 1.00 -0.73 N ATOM 1645 CA ASP A 106 11.033 -3.152 -9.587 1.00 0.36 C ATOM 1646 C ASP A 106 11.268 -4.653 -9.350 1.00 0.57 C ATOM 1647 O ASP A 106 10.626 -5.494 -9.978 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.640 -2.842 -11.042 1.00 0.06 C ATOM 1649 CG ASP A 106 11.574 -3.409 -12.121 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.754 -3.099 -12.095 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 11.011 -4.162 -13.062 1.00 -0.65 O ATOM 0 H ASP A 106 12.852 -2.168 -9.909 1.00 -0.73 H new ATOM 0 HA ASP A 106 10.185 -2.874 -8.961 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.636 -3.228 -11.218 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.591 -1.760 -11.163 1.00 0.06 H new ATOM 1657 N GLY A 107 12.187 -4.987 -8.436 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.580 -6.358 -8.152 1.00 0.36 C ATOM 1659 C GLY A 107 13.714 -6.789 -9.078 1.00 0.57 C ATOM 1660 O GLY A 107 13.503 -7.622 -9.953 1.00 -0.57 O ATOM 0 H GLY A 107 12.681 -4.298 -7.869 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.898 -6.444 -7.113 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.725 -7.022 -8.280 1.00 0.36 H new ATOM 1664 N SER A 108 14.915 -6.211 -8.899 1.00 -0.73 N ATOM 1665 CA SER A 108 16.057 -6.488 -9.780 1.00 0.36 C ATOM 1666 C SER A 108 17.186 -7.269 -9.098 1.00 0.57 C ATOM 1667 O SER A 108 17.781 -8.123 -9.760 1.00 -0.57 O ATOM 1668 CB SER A 108 16.607 -5.176 -10.359 1.00 0.28 C ATOM 1669 OG SER A 108 17.050 -5.361 -11.693 1.00 -0.68 O ATOM 0 H SER A 108 15.117 -5.549 -8.150 1.00 -0.73 H new ATOM 0 HA SER A 108 15.678 -7.126 -10.579 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.834 -4.408 -10.331 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.433 -4.819 -9.743 1.00 0.28 H new ATOM 0 HG SER A 108 17.395 -4.513 -12.044 1.00 -0.68 H new ATOM 1675 N SER A 109 17.499 -6.950 -7.828 1.00 -0.73 N ATOM 1676 CA SER A 109 18.496 -7.625 -6.983 1.00 0.36 C ATOM 1677 C SER A 109 18.671 -6.879 -5.652 1.00 0.57 C ATOM 1678 O SER A 109 18.656 -7.490 -4.588 1.00 -0.57 O ATOM 1679 CB SER A 109 19.876 -7.704 -7.675 1.00 0.28 C ATOM 1680 OG SER A 109 20.363 -9.026 -7.652 1.00 -0.68 O ATOM 0 H SER A 109 17.041 -6.178 -7.343 1.00 -0.73 H new ATOM 0 HA SER A 109 18.124 -8.635 -6.807 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.793 -7.358 -8.705 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.580 -7.042 -7.172 1.00 0.28 H new ATOM 0 HG SER A 109 21.236 -9.061 -8.095 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.833 -5.548 -5.720 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.149 -4.676 -4.591 1.00 0.36 C ATOM 1688 C LEU A 110 18.319 -3.404 -4.727 1.00 0.57 C ATOM 1689 O LEU A 110 17.962 -3.004 -5.845 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.637 -4.265 -4.597 1.00 0.00 C ATOM 1691 CG LEU A 110 21.674 -5.392 -4.436 1.00 0.00 C ATOM 1692 CD1 LEU A 110 23.032 -4.909 -4.960 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.816 -5.849 -2.978 1.00 0.00 C ATOM 0 H LEU A 110 18.743 -5.036 -6.598 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.932 -5.213 -3.668 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.842 -3.748 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.793 -3.544 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 110 21.325 -6.249 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.769 -5.704 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.942 -4.644 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 110 23.351 -4.035 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.559 -6.645 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.134 -5.008 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.856 -6.220 -2.618 1.00 0.00 H new ATOM 1705 N GLY A 111 18.080 -2.752 -3.591 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.228 -1.586 -3.463 1.00 0.36 C ATOM 1707 C GLY A 111 16.034 -1.931 -2.581 1.00 0.57 C ATOM 1708 O GLY A 111 16.079 -2.907 -1.827 1.00 -0.57 O ATOM 0 H GLY A 111 18.494 -3.038 -2.704 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.788 -0.758 -3.029 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.887 -1.260 -4.446 1.00 0.36 H new ATOM 1712 N ILE A 112 14.977 -1.122 -2.665 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.726 -1.352 -1.956 1.00 0.36 C ATOM 1714 C ILE A 112 12.692 -1.643 -3.030 1.00 0.57 C ATOM 1715 O ILE A 112 12.507 -0.839 -3.947 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.340 -0.128 -1.104 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.507 0.311 -0.187 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.042 -0.426 -0.330 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.905 -0.698 0.900 1.00 0.00 C ATOM 0 H ILE A 112 14.970 -0.277 -3.237 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.805 -2.184 -1.256 1.00 0.36 H new ATOM 0 HB ILE A 112 13.145 0.722 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.379 0.513 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.235 1.250 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.770 0.441 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.240 -0.644 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.196 -1.286 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.730 -0.294 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.053 -0.884 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.215 -1.633 0.433 1.00 0.00 H new ATOM 1731 N ASN A 113 12.080 -2.826 -2.940 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.094 -3.297 -3.898 1.00 0.36 C ATOM 1733 C ASN A 113 9.898 -2.336 -3.900 1.00 0.57 C ATOM 1734 O ASN A 113 9.075 -2.365 -2.983 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.717 -4.754 -3.579 1.00 0.06 C ATOM 1736 CG ASN A 113 9.767 -5.364 -4.610 1.00 0.57 C ATOM 1737 OD1 ASN A 113 9.000 -4.668 -5.263 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.776 -6.679 -4.768 1.00 -0.80 N ATOM 0 H ASN A 113 12.263 -3.489 -2.186 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.499 -3.301 -4.910 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.624 -5.356 -3.528 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.251 -4.796 -2.594 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.142 -7.117 -5.436 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.417 -7.254 -4.221 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.824 -1.488 -4.935 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.762 -0.518 -5.162 1.00 0.36 C ATOM 1747 C PHE A 114 7.408 -1.199 -5.127 1.00 0.57 C ATOM 1748 O PHE A 114 6.457 -0.638 -4.590 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.939 0.141 -6.542 1.00 0.14 C ATOM 1750 CG PHE A 114 7.818 1.105 -6.921 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.590 0.616 -7.416 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.978 2.492 -6.737 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.510 1.489 -7.638 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.919 3.368 -7.015 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.673 2.866 -7.418 1.00 -0.15 C ATOM 0 H PHE A 114 10.537 -1.464 -5.664 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.815 0.235 -4.376 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.887 0.679 -6.557 1.00 0.14 H new ATOM 0 HB3 PHE A 114 9.004 -0.640 -7.300 1.00 0.14 H new ATOM 0 HD1 PHE A 114 6.479 -0.438 -7.626 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.920 2.882 -6.380 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.560 1.102 -7.976 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.063 4.434 -6.918 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.840 3.538 -7.559 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.308 -2.390 -5.727 1.00 -0.73 N ATOM 1766 CA LEU A 115 6.050 -3.097 -5.781 1.00 0.36 C ATOM 1767 C LEU A 115 5.657 -3.450 -4.356 1.00 0.57 C ATOM 1768 O LEU A 115 4.539 -3.164 -3.949 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.175 -4.345 -6.678 1.00 0.00 C ATOM 1770 CG LEU A 115 4.818 -4.838 -7.223 1.00 0.00 C ATOM 1771 CD1 LEU A 115 4.239 -3.784 -8.156 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.989 -6.130 -8.029 1.00 0.00 C ATOM 0 H LEU A 115 8.086 -2.872 -6.176 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.270 -2.477 -6.223 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.835 -4.119 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.645 -5.148 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 115 4.159 -5.020 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.280 -4.128 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.096 -2.852 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.926 -3.615 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.019 -6.457 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.659 -5.948 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.412 -6.905 -7.389 1.00 0.00 H new ATOM 1784 N TYR A 116 6.585 -4.054 -3.601 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.315 -4.521 -2.241 1.00 0.36 C ATOM 1786 C TYR A 116 5.907 -3.333 -1.373 1.00 0.57 C ATOM 1787 O TYR A 116 4.951 -3.439 -0.606 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.547 -5.259 -1.703 1.00 0.14 C ATOM 1789 CG TYR A 116 7.293 -6.287 -0.614 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.648 -7.499 -0.941 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.817 -6.103 0.681 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.547 -8.532 0.010 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.715 -7.133 1.636 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.100 -8.359 1.300 1.00 0.08 C ATOM 1795 OH TYR A 116 7.085 -9.375 2.208 1.00 -0.53 O ATOM 0 H TYR A 116 7.539 -4.230 -3.917 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.487 -5.229 -2.229 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.038 -5.759 -2.538 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.248 -4.519 -1.318 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.229 -7.635 -1.927 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.297 -5.171 0.941 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.048 -9.455 -0.245 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.109 -6.984 2.630 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.566 -9.104 2.994 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.571 -2.189 -1.574 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.223 -0.920 -0.962 1.00 0.36 C ATOM 1807 C ALA A 117 4.793 -0.530 -1.320 1.00 0.57 C ATOM 1808 O ALA A 117 3.950 -0.427 -0.435 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.206 0.167 -1.423 1.00 0.00 C ATOM 0 H ALA A 117 7.386 -2.128 -2.185 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.289 -1.021 0.121 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.940 1.118 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.218 -0.109 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.158 0.265 -2.508 1.00 0.00 H new ATOM 1815 N ALA A 118 4.511 -0.340 -2.613 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.219 0.127 -3.086 1.00 0.36 C ATOM 1817 C ALA A 118 2.110 -0.779 -2.561 1.00 0.57 C ATOM 1818 O ALA A 118 1.185 -0.280 -1.937 1.00 -0.57 O ATOM 1819 CB ALA A 118 3.218 0.209 -4.615 1.00 0.00 C ATOM 0 H ALA A 118 5.184 -0.510 -3.361 1.00 -0.73 H new ATOM 0 HA ALA A 118 3.031 1.130 -2.703 1.00 0.36 H new ATOM 0 HB1 ALA A 118 2.245 0.560 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.991 0.904 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.416 -0.778 -5.032 1.00 0.00 H new ATOM 1825 N THR A 119 2.223 -2.095 -2.740 1.00 -0.73 N ATOM 1826 CA THR A 119 1.215 -3.054 -2.306 1.00 0.36 C ATOM 1827 C THR A 119 1.028 -3.044 -0.784 1.00 0.57 C ATOM 1828 O THR A 119 -0.109 -3.162 -0.321 1.00 -0.57 O ATOM 1829 CB THR A 119 1.636 -4.442 -2.797 1.00 0.28 C ATOM 1830 OG1 THR A 119 2.017 -4.381 -4.154 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.514 -5.472 -2.718 1.00 0.00 C ATOM 0 H THR A 119 3.027 -2.527 -3.196 1.00 -0.73 H new ATOM 0 HA THR A 119 0.251 -2.778 -2.733 1.00 0.36 H new ATOM 0 HB THR A 119 2.455 -4.745 -2.145 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.958 -4.115 -4.218 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.877 -6.434 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.186 -5.574 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.324 -5.145 -3.334 1.00 0.00 H new ATOM 1839 N HIS A 120 2.110 -2.881 -0.008 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.036 -2.698 1.438 1.00 0.36 C ATOM 1841 C HIS A 120 1.232 -1.432 1.750 1.00 0.57 C ATOM 1842 O HIS A 120 0.266 -1.494 2.514 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.470 -2.655 2.011 1.00 0.17 C ATOM 1844 CG HIS A 120 3.604 -2.467 3.503 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.514 -3.109 4.322 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.946 -1.562 4.277 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.391 -2.598 5.563 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.413 -1.677 5.559 1.00 -0.70 N ATOM 0 H HIS A 120 3.062 -2.873 -0.373 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.517 -3.531 1.913 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.972 -3.584 1.740 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.008 -1.846 1.517 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.165 -3.841 4.037 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.187 -0.872 3.939 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.982 -2.883 6.421 1.00 0.65 H new ATOM 1857 N GLU A 121 1.610 -0.284 1.176 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.957 0.991 1.474 1.00 0.36 C ATOM 1859 C GLU A 121 -0.509 0.964 1.030 1.00 0.57 C ATOM 1860 O GLU A 121 -1.393 1.428 1.757 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.688 2.168 0.797 1.00 0.00 C ATOM 1862 CG GLU A 121 3.161 2.388 1.188 1.00 0.06 C ATOM 1863 CD GLU A 121 3.429 2.247 2.684 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.346 3.245 3.380 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.707 1.037 3.161 1.00 -0.65 O ATOM 0 H GLU A 121 2.370 -0.215 0.499 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.999 1.137 2.553 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.641 2.021 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.138 3.082 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.781 1.672 0.648 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.468 3.383 0.866 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.778 0.369 -0.140 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.122 0.197 -0.673 1.00 0.36 C ATOM 1875 C LEU A 122 -2.981 -0.655 0.252 1.00 0.57 C ATOM 1876 O LEU A 122 -4.184 -0.418 0.324 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.110 -0.399 -2.095 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.188 0.637 -3.239 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.409 1.561 -3.105 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.935 1.503 -3.394 1.00 0.00 C ATOM 0 H LEU A 122 -0.051 -0.010 -0.747 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.563 1.192 -0.735 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.200 -0.986 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.949 -1.088 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.280 0.024 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.420 2.271 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.321 0.964 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.353 2.104 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.075 2.202 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.761 2.059 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.075 0.865 -3.601 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.382 -1.589 0.997 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.072 -2.303 2.048 1.00 0.36 C ATOM 1894 C GLY A 123 -3.673 -1.363 3.077 1.00 0.57 C ATOM 1895 O GLY A 123 -4.876 -1.424 3.327 1.00 -0.57 O ATOM 0 H GLY A 123 -1.406 -1.863 0.880 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.861 -2.915 1.612 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.377 -2.983 2.541 1.00 0.36 H new ATOM 1899 N HIS A 124 -2.881 -0.437 3.625 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.406 0.538 4.579 1.00 0.36 C ATOM 1901 C HIS A 124 -4.491 1.396 3.930 1.00 0.57 C ATOM 1902 O HIS A 124 -5.531 1.612 4.548 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.286 1.408 5.147 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.322 0.624 5.996 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.562 0.156 7.268 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.077 0.191 5.633 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.481 -0.541 7.654 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.454 -0.555 6.692 1.00 -0.70 N ATOM 0 H HIS A 124 -1.885 -0.344 3.426 1.00 -0.73 H new ATOM 0 HA HIS A 124 -3.855 -0.008 5.409 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.744 1.878 4.327 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.720 2.211 5.743 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.407 0.311 7.818 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.413 0.390 4.691 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.378 -1.027 8.613 1.00 0.65 H new ATOM 1917 N SER A 125 -4.283 1.793 2.668 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.278 2.482 1.852 1.00 0.36 C ATOM 1919 C SER A 125 -6.586 1.685 1.737 1.00 0.57 C ATOM 1920 O SER A 125 -7.662 2.273 1.660 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.679 2.713 0.457 1.00 0.28 C ATOM 1922 OG SER A 125 -4.833 4.034 0.000 1.00 -0.68 O ATOM 0 H SER A 125 -3.400 1.639 2.181 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.526 3.429 2.330 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.618 2.464 0.478 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.152 2.033 -0.252 1.00 0.28 H new ATOM 0 HG SER A 125 -4.701 4.656 0.746 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.515 0.350 1.725 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.678 -0.523 1.672 1.00 0.36 C ATOM 1930 C LEU A 126 -8.476 -0.483 2.982 1.00 0.57 C ATOM 1931 O LEU A 126 -9.690 -0.673 2.958 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.237 -1.969 1.349 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.024 -2.633 0.210 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.537 -2.509 0.401 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.587 -2.095 -1.162 1.00 0.00 C ATOM 0 H LEU A 126 -5.630 -0.157 1.752 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.334 -0.163 0.880 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.179 -1.963 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.340 -2.577 2.248 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.788 -3.697 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.050 -2.994 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.826 -2.989 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.815 -1.455 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.164 -2.586 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.760 -1.020 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.526 -2.297 -1.311 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.817 -0.220 4.114 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.467 -0.115 5.415 1.00 0.36 C ATOM 1949 C GLY A 127 -8.353 -1.400 6.193 1.00 0.57 C ATOM 1950 O GLY A 127 -9.362 -2.035 6.467 1.00 -0.57 O ATOM 0 H GLY A 127 -6.808 -0.073 4.149 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.016 0.698 5.984 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.519 0.137 5.278 1.00 0.36 H new ATOM 1954 N MET A 128 -7.125 -1.776 6.531 1.00 -0.73 N ATOM 1955 CA MET A 128 -6.784 -3.007 7.227 1.00 0.36 C ATOM 1956 C MET A 128 -5.769 -2.697 8.324 1.00 0.57 C ATOM 1957 O MET A 128 -5.312 -1.559 8.472 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.254 -4.041 6.217 1.00 0.00 C ATOM 1959 CG MET A 128 -5.063 -3.532 5.403 1.00 0.23 C ATOM 1960 SD MET A 128 -3.462 -4.200 5.881 1.00 -0.46 S ATOM 1961 CE MET A 128 -2.677 -2.698 6.509 1.00 0.23 C ATOM 0 H MET A 128 -6.307 -1.206 6.318 1.00 -0.73 H new ATOM 0 HA MET A 128 -7.666 -3.437 7.701 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.961 -4.945 6.752 1.00 0.00 H new ATOM 0 HB3 MET A 128 -7.058 -4.320 5.536 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.236 -3.765 4.352 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.025 -2.446 5.487 1.00 0.23 H new ATOM 0 HE1 MET A 128 -2.045 -2.947 7.362 1.00 0.23 H new ATOM 0 HE2 MET A 128 -2.067 -2.251 5.724 1.00 0.23 H new ATOM 0 HE3 MET A 128 -3.444 -1.989 6.821 1.00 0.23 H new ATOM 1971 N GLY A 129 -5.411 -3.725 9.092 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.449 -3.613 10.163 1.00 0.36 C ATOM 1973 C GLY A 129 -3.050 -4.009 9.714 1.00 0.57 C ATOM 1974 O GLY A 129 -2.887 -4.891 8.875 1.00 -0.57 O ATOM 0 H GLY A 129 -5.791 -4.665 8.979 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.435 -2.588 10.532 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.756 -4.247 10.995 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.048 -3.368 10.321 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.634 -3.696 10.179 1.00 0.36 C ATOM 1980 C HIS A 130 -0.322 -5.168 10.500 1.00 0.57 C ATOM 1981 O HIS A 130 -1.168 -5.907 11.011 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.188 -2.772 11.101 1.00 0.17 C ATOM 1983 CG HIS A 130 1.298 -2.005 10.430 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.815 -0.808 10.871 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.977 -2.337 9.285 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.777 -0.432 10.015 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.908 -1.336 9.034 1.00 -0.70 N ATOM 0 H HIS A 130 -2.209 -2.579 10.947 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.364 -3.542 9.134 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.490 -2.059 11.570 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.619 -3.375 11.900 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.816 -3.220 8.685 1.00 0.20 H new ATOM 0 HE1 HIS A 130 3.363 0.471 10.104 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.564 -1.297 8.254 1.00 -0.70 H new ATOM 1996 N SER A 131 0.939 -5.560 10.286 1.00 -0.73 N ATOM 1997 CA SER A 131 1.416 -6.922 10.440 1.00 0.36 C ATOM 1998 C SER A 131 2.730 -6.957 11.222 1.00 0.57 C ATOM 1999 O SER A 131 3.257 -5.924 11.635 1.00 -0.57 O ATOM 2000 CB SER A 131 1.574 -7.534 9.051 1.00 0.28 C ATOM 2001 OG SER A 131 1.878 -8.904 9.151 1.00 -0.68 O ATOM 0 H SER A 131 1.670 -4.913 9.993 1.00 -0.73 H new ATOM 0 HA SER A 131 0.696 -7.506 11.013 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.655 -7.400 8.481 1.00 0.28 H new ATOM 0 HB3 SER A 131 2.365 -7.018 8.507 1.00 0.28 H new ATOM 0 HG SER A 131 1.241 -9.337 9.757 1.00 -0.68 H new ATOM 2007 N SER A 132 3.225 -8.177 11.442 1.00 -0.73 N ATOM 2008 CA SER A 132 4.372 -8.503 12.265 1.00 0.36 C ATOM 2009 C SER A 132 4.802 -9.951 11.942 1.00 0.57 C ATOM 2010 O SER A 132 4.975 -10.754 12.857 1.00 -0.57 O ATOM 2011 CB SER A 132 3.954 -8.307 13.734 1.00 0.28 C ATOM 2012 OG SER A 132 5.014 -7.961 14.602 1.00 -0.68 O ATOM 0 H SER A 132 2.805 -9.006 11.022 1.00 -0.73 H new ATOM 0 HA SER A 132 5.232 -7.862 12.071 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.193 -7.528 13.782 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.492 -9.227 14.093 1.00 0.28 H new ATOM 0 HG SER A 132 5.722 -8.636 14.540 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.909 -10.308 10.647 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.277 -11.659 10.201 1.00 0.36 C ATOM 2020 C ASP A 133 6.540 -11.591 9.332 1.00 0.57 C ATOM 2021 O ASP A 133 6.645 -10.664 8.526 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.126 -12.293 9.395 1.00 0.06 C ATOM 2023 CG ASP A 133 4.005 -13.794 9.651 1.00 0.66 C ATOM 2024 OD1 ASP A 133 4.047 -14.524 8.675 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.917 -14.193 10.917 1.00 -0.65 O ATOM 0 H ASP A 133 4.740 -9.659 9.878 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.471 -12.276 11.078 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.188 -11.804 9.657 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.290 -12.119 8.332 1.00 0.06 H new ATOM 2031 N PRO A 134 7.469 -12.566 9.403 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.777 -12.491 8.749 1.00 0.36 C ATOM 2033 C PRO A 134 8.716 -12.556 7.213 1.00 0.57 C ATOM 2034 O PRO A 134 9.758 -12.549 6.563 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.607 -13.635 9.349 1.00 0.00 C ATOM 2036 CG PRO A 134 8.581 -14.646 9.860 1.00 0.00 C ATOM 2037 CD PRO A 134 7.305 -13.842 10.086 1.00 0.30 C ATOM 0 HA PRO A 134 9.232 -11.518 8.936 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.262 -14.082 8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.245 -13.277 10.158 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.420 -15.444 9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.918 -15.117 10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.439 -14.378 9.696 1.00 0.30 H new ATOM 0 HD3 PRO A 134 7.132 -13.688 11.151 1.00 0.30 H new ATOM 2045 N ASN A 135 7.521 -12.620 6.624 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.311 -12.601 5.182 1.00 0.36 C ATOM 2047 C ASN A 135 5.989 -11.891 4.843 1.00 0.57 C ATOM 2048 O ASN A 135 5.414 -12.126 3.782 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.378 -14.052 4.650 1.00 0.06 C ATOM 2050 CG ASN A 135 8.246 -14.216 3.400 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.787 -13.273 2.828 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.448 -15.455 2.973 1.00 -0.80 N ATOM 0 H ASN A 135 6.652 -12.688 7.154 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.095 -12.030 4.686 1.00 0.36 H new ATOM 0 HB2 ASN A 135 7.766 -14.699 5.437 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.367 -14.393 4.426 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.053 -15.625 2.169 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.999 -16.238 3.448 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.471 -11.063 5.765 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.224 -10.336 5.577 1.00 0.36 C ATOM 2061 C ALA A 136 4.410 -9.212 4.565 1.00 0.57 C ATOM 2062 O ALA A 136 5.396 -8.477 4.625 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.760 -9.758 6.916 1.00 0.00 C ATOM 0 H ALA A 136 5.916 -10.884 6.665 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.469 -11.024 5.197 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.826 -9.214 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.603 -10.569 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.520 -9.079 7.302 1.00 0.00 H new ATOM 2069 N VAL A 137 3.408 -9.006 3.709 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.376 -7.851 2.822 1.00 0.36 C ATOM 2071 C VAL A 137 3.293 -6.583 3.682 1.00 0.57 C ATOM 2072 O VAL A 137 3.979 -5.609 3.372 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.231 -8.022 1.799 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.937 -6.761 0.970 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.581 -9.164 0.826 1.00 0.00 C ATOM 0 H VAL A 137 2.606 -9.629 3.614 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.284 -7.760 2.226 1.00 0.36 H new ATOM 0 HB VAL A 137 1.337 -8.240 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.121 -6.964 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.653 -5.946 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.828 -6.478 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.774 -9.286 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.505 -8.924 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.711 -10.091 1.385 1.00 0.00 H new ATOM 2085 N MET A 138 2.584 -6.621 4.823 1.00 -0.73 N ATOM 2086 CA MET A 138 2.489 -5.496 5.759 1.00 0.36 C ATOM 2087 C MET A 138 3.624 -5.450 6.798 1.00 0.57 C ATOM 2088 O MET A 138 3.501 -4.737 7.794 1.00 -0.57 O ATOM 2089 CB MET A 138 1.101 -5.483 6.425 1.00 0.00 C ATOM 2090 CG MET A 138 0.161 -4.522 5.708 1.00 0.23 C ATOM 2091 SD MET A 138 -0.177 -4.895 3.976 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.095 -6.439 4.217 1.00 0.23 C ATOM 0 H MET A 138 2.057 -7.442 5.121 1.00 -0.73 H new ATOM 0 HA MET A 138 2.613 -4.586 5.173 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.678 -6.488 6.413 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.198 -5.190 7.471 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.786 -4.502 6.247 1.00 0.23 H new ATOM 0 HG3 MET A 138 0.583 -3.519 5.768 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.579 -7.253 3.708 1.00 0.23 H new ATOM 0 HE2 MET A 138 -1.160 -6.661 5.282 1.00 0.23 H new ATOM 0 HE3 MET A 138 -2.099 -6.333 3.806 1.00 0.23 H new ATOM 2102 N TYR A 139 4.722 -6.198 6.629 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.786 -6.228 7.633 1.00 0.36 C ATOM 2104 C TYR A 139 6.466 -4.852 7.763 1.00 0.57 C ATOM 2105 O TYR A 139 6.874 -4.300 6.738 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.810 -7.302 7.254 1.00 0.14 C ATOM 2107 CG TYR A 139 7.787 -7.707 8.340 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.341 -7.990 9.648 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.140 -7.899 8.014 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.241 -8.445 10.628 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.047 -8.351 8.983 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.606 -8.617 10.298 1.00 0.08 C ATOM 2113 OH TYR A 139 10.511 -9.004 11.243 1.00 -0.53 O ATOM 0 H TYR A 139 4.894 -6.785 5.813 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.349 -6.470 8.602 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.270 -8.191 6.930 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.380 -6.945 6.396 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.299 -7.856 9.899 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.484 -7.697 7.010 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.892 -8.662 11.627 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.085 -8.496 8.723 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.400 -9.072 10.836 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.603 -4.271 8.977 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.237 -2.970 9.137 1.00 0.36 C ATOM 2125 C PRO A 140 8.765 -3.074 9.055 1.00 0.57 C ATOM 2126 O PRO A 140 9.424 -2.322 8.337 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.773 -2.442 10.503 1.00 0.00 C ATOM 2128 CG PRO A 140 6.391 -3.689 11.298 1.00 0.00 C ATOM 2129 CD PRO A 140 6.064 -4.745 10.243 1.00 0.30 C ATOM 0 HA PRO A 140 6.951 -2.288 8.336 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.566 -1.884 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.925 -1.766 10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.209 -4.013 11.941 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.534 -3.498 11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.502 -5.706 10.512 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.987 -4.895 10.170 1.00 0.30 H new ATOM 2137 N THR A 141 9.354 -4.039 9.755 1.00 -0.73 N ATOM 2138 CA THR A 141 10.793 -4.249 9.848 1.00 0.36 C ATOM 2139 C THR A 141 11.303 -5.013 8.612 1.00 0.57 C ATOM 2140 O THR A 141 11.946 -6.052 8.735 1.00 -0.57 O ATOM 2141 CB THR A 141 11.077 -4.922 11.206 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.100 -5.909 11.476 1.00 -0.68 O ATOM 2143 CG2 THR A 141 10.955 -3.908 12.353 1.00 0.00 C ATOM 0 H THR A 141 8.820 -4.722 10.293 1.00 -0.73 H new ATOM 0 HA THR A 141 11.353 -3.314 9.831 1.00 0.36 H new ATOM 0 HB THR A 141 12.081 -5.342 11.146 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.233 -6.674 10.878 1.00 -0.68 H new ATOM 0 HG21 THR A 141 11.159 -4.405 13.301 1.00 0.00 H new ATOM 0 HG22 THR A 141 11.673 -3.102 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 141 9.946 -3.497 12.369 1.00 0.00 H new ATOM 2151 N TYR A 142 10.956 -4.500 7.422 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.243 -5.060 6.101 1.00 0.36 C ATOM 2153 C TYR A 142 12.653 -5.661 6.000 1.00 0.57 C ATOM 2154 O TYR A 142 13.640 -5.016 6.359 1.00 -0.57 O ATOM 2155 CB TYR A 142 11.032 -3.967 5.041 1.00 0.14 C ATOM 2156 CG TYR A 142 11.524 -4.340 3.652 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.893 -5.367 2.924 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.650 -3.689 3.111 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.378 -5.739 1.655 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.126 -4.042 1.839 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.495 -5.064 1.102 1.00 0.08 C ATOM 2162 OH TYR A 142 12.981 -5.372 -0.133 1.00 -0.53 O ATOM 0 H TYR A 142 10.434 -3.626 7.357 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.555 -5.887 5.927 1.00 0.36 H new ATOM 0 HB2 TYR A 142 9.969 -3.731 4.986 1.00 0.14 H new ATOM 0 HB3 TYR A 142 11.544 -3.060 5.364 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.034 -5.872 3.340 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.148 -2.916 3.677 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.900 -6.536 1.105 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 13.980 -3.528 1.423 1.00 -0.15 H new ATOM 0 HH TYR A 142 13.749 -4.798 -0.335 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.717 -6.885 5.461 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.936 -7.663 5.286 1.00 0.36 C ATOM 2174 C GLY A 143 13.836 -8.962 6.085 1.00 0.57 C ATOM 2175 O GLY A 143 13.753 -8.910 7.310 1.00 -0.57 O ATOM 0 H GLY A 143 11.887 -7.373 5.124 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.089 -7.885 4.230 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.799 -7.086 5.618 1.00 0.36 H new ATOM 2179 N ASN A 144 13.815 -10.115 5.401 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.865 -11.458 6.001 1.00 0.36 C ATOM 2181 C ASN A 144 13.810 -12.514 4.889 1.00 0.57 C ATOM 2182 O ASN A 144 14.716 -13.338 4.741 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.669 -11.695 6.955 1.00 0.06 C ATOM 2184 CG ASN A 144 13.054 -11.708 8.430 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.069 -12.286 8.800 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.229 -11.141 9.301 1.00 -0.80 N ATOM 0 H ASN A 144 13.761 -10.140 4.383 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.792 -11.536 6.569 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.924 -10.916 6.790 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.198 -12.645 6.703 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.435 -11.182 10.299 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.389 -10.665 8.972 1.00 -0.80 H new ATOM 2193 N GLY A 145 12.730 -12.461 4.104 1.00 -0.73 N ATOM 2194 CA GLY A 145 12.416 -13.419 3.060 1.00 0.36 C ATOM 2195 C GLY A 145 12.707 -12.823 1.690 1.00 0.57 C ATOM 2196 O GLY A 145 13.732 -12.165 1.504 1.00 -0.57 O ATOM 0 H GLY A 145 12.032 -11.722 4.187 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 13.003 -14.326 3.201 1.00 0.36 H new ATOM 0 HA3 GLY A 145 11.366 -13.705 3.124 1.00 0.36 H new ATOM 2200 N ASP A 146 11.814 -13.068 0.731 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.946 -12.574 -0.629 1.00 0.36 C ATOM 2202 C ASP A 146 10.657 -11.841 -1.017 1.00 0.57 C ATOM 2203 O ASP A 146 9.623 -12.489 -1.179 1.00 -0.57 O ATOM 2204 CB ASP A 146 12.230 -13.728 -1.594 1.00 0.06 C ATOM 2205 CG ASP A 146 12.256 -13.251 -3.046 1.00 0.66 C ATOM 2206 OD1 ASP A 146 12.322 -12.055 -3.276 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.151 -14.198 -3.974 1.00 -0.65 O ATOM 0 H ASP A 146 10.971 -13.622 0.884 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.786 -11.881 -0.688 1.00 0.36 H new ATOM 0 HB2 ASP A 146 13.187 -14.186 -1.343 1.00 0.06 H new ATOM 0 HB3 ASP A 146 11.467 -14.498 -1.477 1.00 0.06 H new ATOM 2213 N PRO A 147 10.697 -10.505 -1.185 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.532 -9.724 -1.558 1.00 0.36 C ATOM 2215 C PRO A 147 9.144 -9.893 -3.030 1.00 0.57 C ATOM 2216 O PRO A 147 8.038 -9.501 -3.399 1.00 -0.57 O ATOM 2217 CB PRO A 147 9.916 -8.278 -1.263 1.00 0.00 C ATOM 2218 CG PRO A 147 11.431 -8.245 -1.419 1.00 0.00 C ATOM 2219 CD PRO A 147 11.879 -9.660 -1.086 1.00 0.30 C ATOM 0 HA PRO A 147 8.655 -10.052 -0.999 1.00 0.36 H new ATOM 0 HB2 PRO A 147 9.431 -7.590 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.614 -7.985 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 147 11.720 -7.965 -2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.884 -7.517 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.653 -9.994 -1.777 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.305 -9.706 -0.084 1.00 0.30 H new ATOM 2227 N GLN A 148 10.021 -10.443 -3.886 1.00 -0.73 N ATOM 2228 CA GLN A 148 9.690 -10.694 -5.287 1.00 0.36 C ATOM 2229 C GLN A 148 8.536 -11.699 -5.388 1.00 0.57 C ATOM 2230 O GLN A 148 7.675 -11.587 -6.265 1.00 -0.57 O ATOM 2231 CB GLN A 148 10.937 -11.229 -6.011 1.00 0.00 C ATOM 2232 CG GLN A 148 10.711 -11.589 -7.484 1.00 0.06 C ATOM 2233 CD GLN A 148 10.189 -10.402 -8.285 1.00 0.57 C ATOM 2234 OE1 GLN A 148 10.941 -9.512 -8.650 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 8.884 -10.339 -8.528 1.00 -0.80 N ATOM 0 H GLN A 148 10.967 -10.721 -3.625 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.372 -9.765 -5.759 1.00 0.36 H new ATOM 0 HB2 GLN A 148 11.726 -10.480 -5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.296 -12.114 -5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.647 -11.938 -7.920 1.00 0.06 H new ATOM 0 HG3 GLN A 148 10.001 -12.413 -7.552 1.00 0.06 H new ATOM 0 HE21 GLN A 148 8.270 -11.092 -8.216 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 8.496 -9.538 -9.027 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.530 -12.675 -4.479 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.540 -13.731 -4.401 1.00 0.36 C ATOM 2246 C ASN A 149 6.403 -13.273 -3.487 1.00 0.57 C ATOM 2247 O ASN A 149 6.236 -13.793 -2.388 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.210 -15.030 -3.934 1.00 0.06 C ATOM 2249 CG ASN A 149 8.966 -15.716 -5.070 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.330 -16.381 -5.888 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.287 -15.592 -5.141 1.00 -0.80 N ATOM 0 H ASN A 149 9.244 -12.747 -3.754 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.107 -13.940 -5.379 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.899 -14.811 -3.118 1.00 0.06 H new ATOM 0 HB3 ASN A 149 7.453 -15.708 -3.539 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.803 -16.055 -5.889 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.785 -15.034 -4.448 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.623 -12.301 -3.968 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.525 -11.653 -3.252 1.00 0.36 C ATOM 2260 C PHE A 150 3.638 -12.588 -2.440 1.00 0.57 C ATOM 2261 O PHE A 150 3.624 -12.484 -1.217 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.663 -10.905 -4.271 1.00 0.14 C ATOM 2263 CG PHE A 150 4.083 -9.478 -4.367 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.299 -9.138 -4.985 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.289 -8.509 -3.742 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.706 -7.802 -5.007 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.703 -7.182 -3.770 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.879 -6.833 -4.434 1.00 -0.15 C ATOM 0 H PHE A 150 5.747 -11.929 -4.910 1.00 -0.73 H new ATOM 0 HA PHE A 150 4.987 -10.988 -2.523 1.00 0.36 H new ATOM 0 HB2 PHE A 150 3.749 -11.381 -5.248 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.614 -10.962 -3.980 1.00 0.14 H new ATOM 0 HD1 PHE A 150 5.913 -9.902 -5.438 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.371 -8.788 -3.247 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.646 -7.522 -5.460 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.114 -6.422 -3.278 1.00 -0.15 H new ATOM 0 HZ PHE A 150 5.156 -5.792 -4.507 1.00 -0.15 H new ATOM 2278 N LYS A 151 2.883 -13.430 -3.165 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.932 -14.433 -2.691 1.00 0.36 C ATOM 2280 C LYS A 151 1.432 -14.147 -1.270 1.00 0.57 C ATOM 2281 O LYS A 151 1.877 -14.790 -0.315 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.521 -15.842 -2.836 1.00 0.00 C ATOM 2283 CG LYS A 151 2.899 -16.219 -4.283 1.00 0.00 C ATOM 2284 CD LYS A 151 4.336 -15.816 -4.667 1.00 0.00 C ATOM 2285 CE LYS A 151 5.067 -16.940 -5.413 1.00 0.50 C ATOM 2286 NZ LYS A 151 4.797 -16.931 -6.867 1.00 -0.85 N ATOM 0 H LYS A 151 2.931 -13.420 -4.184 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.047 -14.376 -3.325 1.00 0.36 H new ATOM 0 HB2 LYS A 151 3.408 -15.920 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 151 1.799 -16.567 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.785 -17.295 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.200 -15.741 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.308 -14.924 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.893 -15.556 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 151 6.140 -16.843 -5.246 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.766 -17.902 -4.998 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.315 -17.710 -7.321 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 3.777 -17.051 -7.031 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 5.109 -16.025 -7.272 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.547 -13.141 -1.192 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.092 -12.597 0.001 1.00 0.36 C ATOM 2302 C LEU A 152 -0.274 -13.710 1.046 1.00 0.57 C ATOM 2303 O LEU A 152 -0.934 -14.705 0.751 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.447 -11.950 -0.374 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.465 -10.849 -1.463 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.664 -11.454 -2.863 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.625 -9.858 -1.279 1.00 0.00 C ATOM 0 H LEU A 152 0.240 -12.653 -2.033 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.542 -11.823 0.435 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.116 -12.747 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.874 -11.525 0.534 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.504 -10.343 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.672 -10.657 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.849 -12.144 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.612 -11.991 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.591 -9.107 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.573 -10.394 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.535 -9.369 -0.309 1.00 0.00 H new ATOM 2319 N SER A 153 0.376 -13.584 2.211 1.00 -0.73 N ATOM 2320 CA SER A 153 0.581 -14.720 3.110 1.00 0.36 C ATOM 2321 C SER A 153 -0.663 -14.968 3.976 1.00 0.57 C ATOM 2322 O SER A 153 -1.551 -15.731 3.600 1.00 -0.57 O ATOM 2323 CB SER A 153 1.862 -14.495 3.937 1.00 0.28 C ATOM 2324 OG SER A 153 2.106 -15.611 4.776 1.00 -0.68 O ATOM 0 H SER A 153 0.768 -12.705 2.550 1.00 -0.73 H new ATOM 0 HA SER A 153 0.723 -15.631 2.528 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.711 -14.339 3.271 1.00 0.28 H new ATOM 0 HB3 SER A 153 1.760 -13.593 4.540 1.00 0.28 H new ATOM 0 HG SER A 153 2.923 -15.458 5.295 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.731 -14.313 5.137 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.816 -14.455 6.097 1.00 0.36 C ATOM 2332 C GLN A 154 -2.142 -13.122 6.741 1.00 0.57 C ATOM 2333 O GLN A 154 -3.298 -12.903 7.047 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.519 -15.506 7.183 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.132 -15.380 7.848 1.00 0.06 C ATOM 2336 CD GLN A 154 0.023 -16.282 9.079 1.00 0.57 C ATOM 2337 OE1 GLN A 154 0.840 -17.201 9.111 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -0.769 -16.034 10.120 1.00 -0.80 N ATOM 0 H GLN A 154 -0.013 -13.654 5.438 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.681 -14.807 5.534 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -2.284 -15.434 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.605 -16.498 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 154 0.639 -15.632 7.120 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.032 -14.343 8.140 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -1.441 -15.268 10.078 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -0.703 -16.610 10.959 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.186 -12.211 6.907 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.444 -10.828 7.275 1.00 0.36 C ATOM 2349 C ASP A 155 -2.483 -10.207 6.350 1.00 0.57 C ATOM 2350 O ASP A 155 -3.457 -9.604 6.806 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.114 -10.071 7.199 1.00 0.06 C ATOM 2352 CG ASP A 155 0.589 -10.075 5.828 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.087 -9.026 5.454 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.677 -11.235 5.183 1.00 -0.65 O ATOM 0 H ASP A 155 -0.195 -12.420 6.787 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.848 -10.773 8.286 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.291 -9.036 7.491 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.567 -10.498 7.935 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.292 -10.448 5.055 1.00 -0.73 N ATOM 2361 CA ASP A 156 -3.163 -9.985 4.000 1.00 0.36 C ATOM 2362 C ASP A 156 -4.471 -10.763 3.991 1.00 0.57 C ATOM 2363 O ASP A 156 -5.527 -10.164 4.152 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.451 -10.178 2.663 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.219 -8.853 1.978 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -3.222 -8.196 1.754 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.977 -8.549 1.614 1.00 -0.65 O ATOM 0 H ASP A 156 -1.499 -10.989 4.710 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.394 -8.933 4.166 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.497 -10.680 2.824 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -3.047 -10.825 2.019 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.400 -12.095 3.836 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.577 -12.954 3.701 1.00 0.36 C ATOM 2375 C ILE A 157 -6.456 -12.785 4.936 1.00 0.57 C ATOM 2376 O ILE A 157 -7.659 -12.585 4.804 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.147 -14.428 3.458 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.943 -14.752 1.965 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.147 -15.469 4.001 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.975 -13.821 1.239 1.00 0.00 C ATOM 0 H ILE A 157 -3.517 -12.605 3.801 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.166 -12.662 2.831 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.207 -14.503 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.578 -15.775 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.910 -14.713 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.776 -16.473 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.259 -15.339 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.114 -15.332 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.893 -14.124 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.346 -12.797 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.994 -13.876 1.711 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.863 -12.823 6.137 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.584 -12.615 7.381 1.00 0.36 C ATOM 2394 C LYS A 158 -7.197 -11.236 7.365 1.00 0.57 C ATOM 2395 O LYS A 158 -8.381 -11.151 7.654 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.669 -12.802 8.604 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.412 -12.818 9.944 1.00 0.00 C ATOM 2398 CD LYS A 158 -6.573 -11.451 10.632 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.244 -11.004 11.256 1.00 0.50 C ATOM 2400 NZ LYS A 158 -5.166 -9.548 11.494 1.00 -0.85 N ATOM 0 H LYS A 158 -4.867 -13.000 6.264 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.373 -13.363 7.464 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -5.120 -13.737 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.932 -11.999 8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -7.403 -13.243 9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -5.884 -13.487 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -6.909 -10.710 9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -7.341 -11.513 11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.101 -11.527 12.202 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.425 -11.302 10.601 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.245 -9.314 11.916 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.272 -9.043 10.591 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -5.927 -9.261 12.143 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.435 -10.182 7.046 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.965 -8.829 6.985 1.00 0.36 C ATOM 2416 C GLY A 159 -8.172 -8.785 6.055 1.00 0.57 C ATOM 2417 O GLY A 159 -9.280 -8.513 6.501 1.00 -0.57 O ATOM 0 H GLY A 159 -5.441 -10.250 6.826 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.252 -8.496 7.983 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.196 -8.144 6.629 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.988 -9.147 4.792 1.00 -0.73 N ATOM 2422 CA ILE A 160 -9.014 -9.132 3.765 1.00 0.36 C ATOM 2423 C ILE A 160 -10.249 -9.966 4.145 1.00 0.57 C ATOM 2424 O ILE A 160 -11.369 -9.453 4.074 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.343 -9.569 2.443 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.588 -8.387 1.798 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.346 -10.172 1.463 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.537 -7.323 1.236 1.00 0.00 C ATOM 0 H ILE A 160 -7.085 -9.471 4.445 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.420 -8.128 3.646 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.623 -10.350 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.933 -7.930 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.950 -8.761 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.830 -10.465 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.812 -11.048 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.113 -9.434 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.956 -6.514 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.175 -7.770 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.157 -6.927 2.040 1.00 0.00 H new ATOM 2440 N GLN A 161 -10.070 -11.218 4.574 1.00 -0.73 N ATOM 2441 CA GLN A 161 -11.165 -12.090 4.997 1.00 0.36 C ATOM 2442 C GLN A 161 -11.793 -11.609 6.318 1.00 0.57 C ATOM 2443 O GLN A 161 -12.929 -11.963 6.632 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.641 -13.528 5.138 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.299 -14.199 3.785 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.374 -15.153 3.238 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.358 -15.487 3.902 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -11.178 -15.649 2.021 1.00 -0.80 N ATOM 0 H GLN A 161 -9.152 -11.657 4.637 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.948 -12.059 4.239 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.750 -13.521 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.390 -14.130 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.118 -13.419 3.046 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.367 -14.753 3.898 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.361 -15.366 1.480 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -11.845 -16.313 1.627 1.00 -0.80 H new ATOM 2457 N LYS A 162 -11.083 -10.788 7.099 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.621 -10.103 8.270 1.00 0.36 C ATOM 2459 C LYS A 162 -12.382 -8.832 7.868 1.00 0.57 C ATOM 2460 O LYS A 162 -13.314 -8.461 8.576 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.464 -9.869 9.259 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.856 -9.208 10.578 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.905 -9.639 11.710 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.487 -9.137 13.029 1.00 0.50 C ATOM 2465 NZ LYS A 162 -9.773 -9.626 14.226 1.00 -0.85 N ATOM 0 H LYS A 162 -10.099 -10.580 6.928 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.368 -10.714 8.775 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.995 -10.829 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.711 -9.250 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.830 -8.124 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.880 -9.478 10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -9.800 -10.724 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.909 -9.225 11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -10.472 -8.047 13.030 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -11.532 -9.441 13.092 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -10.226 -9.243 15.081 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -9.809 -10.665 14.251 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -8.781 -9.314 14.190 1.00 -0.85 H new ATOM 2479 N LEU A 163 -12.062 -8.208 6.724 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.784 -7.051 6.191 1.00 0.36 C ATOM 2481 C LEU A 163 -14.075 -7.478 5.491 1.00 0.57 C ATOM 2482 O LEU A 163 -15.147 -6.950 5.792 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.907 -6.268 5.188 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.644 -5.588 5.736 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -10.024 -4.724 4.633 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.943 -4.781 6.995 1.00 0.00 C ATOM 0 H LEU A 163 -11.281 -8.501 6.137 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.031 -6.410 7.037 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.604 -6.955 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.528 -5.502 4.724 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.924 -6.351 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.126 -4.237 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.763 -5.353 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -10.742 -3.966 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.026 -4.314 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.678 -4.009 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -11.339 -5.442 7.765 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.985 -8.452 4.577 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.108 -8.949 3.780 1.00 0.36 C ATOM 2500 C TYR A 164 -15.537 -10.316 4.331 1.00 0.57 C ATOM 2501 O TYR A 164 -15.782 -11.267 3.584 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.750 -8.981 2.280 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.530 -7.620 1.634 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -13.358 -6.894 1.910 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.468 -7.096 0.721 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -13.130 -5.643 1.313 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -15.242 -5.854 0.099 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -14.070 -5.118 0.402 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.833 -3.910 -0.181 1.00 -0.53 O ATOM 0 H TYR A 164 -13.107 -8.926 4.368 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.959 -8.273 3.862 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.846 -9.576 2.152 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.548 -9.495 1.744 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.624 -7.303 2.589 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.367 -7.652 0.497 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -12.237 -5.084 1.551 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.960 -5.463 -0.607 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.573 -3.687 -0.784 1.00 -0.53 H new ATOM 2519 N GLY A 165 -15.574 -10.440 5.660 1.00 -0.73 N ATOM 2520 CA GLY A 165 -15.992 -11.652 6.342 1.00 0.36 C ATOM 2521 C GLY A 165 -16.235 -11.350 7.810 1.00 0.57 C ATOM 2522 O GLY A 165 -17.296 -10.810 8.134 1.00 -0.57 O ATOM 0 H GLY A 165 -15.309 -9.687 6.295 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -16.901 -12.044 5.885 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -15.227 -12.422 6.240 1.00 0.36 H new ATOM 2526 N LYS A 166 -15.280 -11.698 8.690 1.00 -0.73 N ATOM 2527 CA LYS A 166 -15.482 -11.541 10.139 1.00 0.36 C ATOM 2528 C LYS A 166 -14.186 -11.573 10.953 1.00 0.57 C ATOM 2529 O LYS A 166 -13.907 -10.617 11.678 1.00 -0.57 O ATOM 2530 CB LYS A 166 -16.463 -12.636 10.624 1.00 0.00 C ATOM 2531 CG LYS A 166 -17.720 -12.070 11.301 1.00 0.00 C ATOM 2532 CD LYS A 166 -17.539 -11.898 12.814 1.00 0.00 C ATOM 2533 CE LYS A 166 -18.881 -11.548 13.474 1.00 0.50 C ATOM 2534 NZ LYS A 166 -19.092 -12.318 14.722 1.00 -0.85 N ATOM 0 H LYS A 166 -14.373 -12.084 8.427 1.00 -0.73 H new ATOM 0 HA LYS A 166 -15.899 -10.548 10.305 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -16.762 -13.249 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -15.946 -13.293 11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -17.967 -11.107 10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -18.563 -12.735 11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -17.142 -12.816 13.246 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -16.812 -11.111 13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -18.911 -10.481 13.695 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -19.694 -11.753 12.778 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -20.007 -12.057 15.141 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -19.088 -13.336 14.507 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -18.329 -12.103 15.396 1.00 -0.85 H new ATOM 2548 N ARG A 167 -13.416 -12.666 10.858 1.00 -0.73 N ATOM 2549 CA ARG A 167 -12.105 -12.888 11.480 1.00 0.36 C ATOM 2550 C ARG A 167 -11.602 -14.271 11.048 1.00 0.57 C ATOM 2551 O ARG A 167 -12.395 -15.091 10.583 1.00 -0.57 O ATOM 2552 CB ARG A 167 -12.150 -12.789 13.024 1.00 0.00 C ATOM 2553 CG ARG A 167 -13.258 -13.624 13.700 1.00 0.00 C ATOM 2554 CD ARG A 167 -12.865 -14.012 15.132 1.00 0.33 C ATOM 2555 NE ARG A 167 -13.932 -14.760 15.816 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -13.860 -15.280 17.051 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -12.722 -15.241 17.753 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -14.952 -15.810 17.595 1.00 -0.97 N ATOM 0 H ARG A 167 -13.713 -13.472 10.308 1.00 -0.73 H new ATOM 0 HA ARG A 167 -11.426 -12.103 11.146 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -11.185 -13.104 13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -12.283 -11.744 13.302 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -14.187 -13.054 13.717 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -13.447 -14.524 13.115 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -11.958 -14.616 15.107 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -12.633 -13.111 15.700 1.00 0.33 H new ATOM 0 HE ARG A 167 -14.805 -14.895 15.306 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -11.889 -14.811 17.351 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -12.687 -15.642 18.690 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -15.829 -15.817 17.074 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -14.912 -16.209 18.533 1.00 -0.97 H new ATOM 2572 N SER A 168 -10.306 -14.547 11.230 1.00 -0.73 N ATOM 2573 CA SER A 168 -9.737 -15.882 11.090 1.00 0.36 C ATOM 2574 C SER A 168 -8.398 -15.884 11.827 1.00 0.57 C ATOM 2575 O SER A 168 -7.633 -14.938 11.667 1.00 -0.57 O ATOM 2576 CB SER A 168 -9.532 -16.217 9.603 1.00 0.28 C ATOM 2577 OG SER A 168 -9.626 -17.616 9.411 1.00 -0.68 O ATOM 0 H SER A 168 -9.618 -13.837 11.482 1.00 -0.73 H new ATOM 0 HA SER A 168 -10.405 -16.634 11.510 1.00 0.36 H new ATOM 0 HB2 SER A 168 -10.282 -15.706 8.999 1.00 0.28 H new ATOM 0 HB3 SER A 168 -8.557 -15.859 9.271 1.00 0.28 H new ATOM 0 HG SER A 168 -9.497 -17.825 8.462 1.00 -0.68 H new ATOM 2583 N ASN A 169 -8.108 -16.946 12.593 1.00 -0.73 N ATOM 2584 CA ASN A 169 -6.937 -17.071 13.475 1.00 0.36 C ATOM 2585 C ASN A 169 -6.902 -16.000 14.583 1.00 0.57 C ATOM 2586 O ASN A 169 -7.579 -14.977 14.501 1.00 -0.57 O ATOM 2587 CB ASN A 169 -5.630 -17.123 12.647 1.00 0.06 C ATOM 2588 CG ASN A 169 -4.765 -18.316 13.047 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -4.233 -18.387 14.156 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -4.667 -19.315 12.179 1.00 -0.80 N ATOM 0 H ASN A 169 -8.705 -17.773 12.616 1.00 -0.73 H new ATOM 0 HA ASN A 169 -7.027 -18.020 14.003 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -5.872 -17.186 11.586 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -5.069 -16.200 12.792 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -4.146 -20.156 12.426 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -5.113 -19.242 11.265 1.00 -0.80 H new ATOM 2597 N SER A 170 -6.102 -16.228 15.629 1.00 -0.73 N ATOM 2598 CA SER A 170 -5.875 -15.250 16.696 1.00 0.36 C ATOM 2599 C SER A 170 -4.614 -15.644 17.478 1.00 0.57 C ATOM 2600 O SER A 170 -4.658 -16.419 18.434 1.00 -0.57 O ATOM 2601 CB SER A 170 -7.133 -15.013 17.576 1.00 0.28 C ATOM 2602 OG SER A 170 -7.781 -16.171 18.079 1.00 -0.68 O ATOM 0 H SER A 170 -5.591 -17.101 15.760 1.00 -0.73 H new ATOM 0 HA SER A 170 -5.693 -14.270 16.255 1.00 0.36 H new ATOM 0 HB2 SER A 170 -6.845 -14.389 18.422 1.00 0.28 H new ATOM 0 HB3 SER A 170 -7.856 -14.444 16.991 1.00 0.28 H new ATOM 0 HG SER A 170 -8.555 -15.905 18.618 1.00 -0.68 H new ATOM 2608 N ARG A 171 -3.452 -15.142 17.038 1.00 -0.73 N ATOM 2609 CA ARG A 171 -2.174 -15.355 17.712 1.00 0.36 C ATOM 2610 C ARG A 171 -1.268 -14.161 17.425 1.00 0.57 C ATOM 2611 O ARG A 171 -1.458 -13.470 16.422 1.00 -0.57 O ATOM 2612 CB ARG A 171 -1.511 -16.656 17.211 1.00 0.00 C ATOM 2613 CG ARG A 171 -0.868 -17.475 18.342 1.00 0.00 C ATOM 2614 CD ARG A 171 -1.886 -18.407 19.017 1.00 0.33 C ATOM 2615 NE ARG A 171 -1.233 -19.316 19.978 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -1.765 -20.436 20.500 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -2.997 -20.827 20.163 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -1.050 -21.160 21.360 1.00 -0.97 N ATOM 0 H ARG A 171 -3.377 -14.572 16.196 1.00 -0.73 H new ATOM 0 HA ARG A 171 -2.337 -15.449 18.786 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -2.259 -17.268 16.706 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -0.750 -16.408 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -0.044 -18.065 17.941 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -0.444 -16.800 19.085 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -2.640 -17.812 19.532 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -2.405 -18.991 18.257 1.00 0.33 H new ATOM 0 HE ARG A 171 -0.288 -19.072 20.275 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -3.545 -20.275 19.503 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -3.390 -21.678 20.565 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -0.108 -20.863 21.617 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -1.444 -22.011 21.761 1.00 -0.97 H new ATOM 2632 N LYS A 172 -0.268 -13.945 18.285 1.00 -0.73 N ATOM 2633 CA LYS A 172 0.762 -12.938 18.100 1.00 0.36 C ATOM 2634 C LYS A 172 1.957 -13.375 18.945 1.00 0.57 C ATOM 2635 O LYS A 172 1.770 -13.858 20.062 1.00 -0.57 O ATOM 2636 CB LYS A 172 0.216 -11.554 18.522 1.00 0.00 C ATOM 2637 CG LYS A 172 0.564 -10.438 17.521 1.00 0.00 C ATOM 2638 CD LYS A 172 1.988 -9.880 17.699 1.00 0.00 C ATOM 2639 CE LYS A 172 2.848 -10.106 16.450 1.00 0.50 C ATOM 2640 NZ LYS A 172 4.304 -10.046 16.721 1.00 -0.85 N ATOM 0 H LYS A 172 -0.156 -14.481 19.146 1.00 -0.73 H new ATOM 0 HA LYS A 172 1.068 -12.846 17.058 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -0.867 -11.614 18.628 1.00 0.00 H new ATOM 0 HB3 LYS A 172 0.618 -11.294 19.501 1.00 0.00 H new ATOM 0 HG2 LYS A 172 0.457 -10.823 16.507 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -0.153 -9.625 17.631 1.00 0.00 H new ATOM 0 HD2 LYS A 172 1.936 -8.813 17.916 1.00 0.00 H new ATOM 0 HD3 LYS A 172 2.461 -10.357 18.557 1.00 0.00 H new ATOM 0 HE2 LYS A 172 2.605 -11.078 16.021 1.00 0.50 H new ATOM 0 HE3 LYS A 172 2.594 -9.355 15.702 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 4.742 -9.330 16.107 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 4.462 -9.791 17.717 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 4.731 -10.975 16.530 1.00 -0.85 H new ATOM 2654 N LYS A 173 3.160 -13.209 18.393 1.00 -0.73 N ATOM 2655 CA LYS A 173 4.434 -13.422 19.061 1.00 0.19 C ATOM 2656 CB LYS A 173 5.208 -14.551 18.348 1.00 0.00 C ATOM 2657 CG LYS A 173 6.498 -14.939 19.093 1.00 0.00 C ATOM 2658 CD LYS A 173 6.318 -16.192 19.971 1.00 0.00 C ATOM 2659 CE LYS A 173 6.966 -16.044 21.357 1.00 0.50 C ATOM 2660 NZ LYS A 173 7.971 -17.093 21.615 1.00 -0.85 N ATOM 0 H LYS A 173 3.272 -12.909 17.425 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 4.566 -15.427 18.258 1.00 0.00 H new ATOM 0 HB3 LYS A 173 5.458 -14.233 17.336 1.00 0.00 H new ATOM 0 HG2 LYS A 173 7.292 -15.118 18.368 1.00 0.00 H new ATOM 0 HG3 LYS A 173 6.818 -14.105 19.717 1.00 0.00 H new ATOM 0 HD2 LYS A 173 5.254 -16.396 20.092 1.00 0.00 H new ATOM 0 HD3 LYS A 173 6.752 -17.053 19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 173 7.438 -15.064 21.433 1.00 0.50 H new ATOM 0 HE3 LYS A 173 6.193 -16.087 22.124 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 8.382 -16.955 22.560 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 7.517 -18.028 21.568 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 8.723 -17.037 20.899 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 12.930 7.790 4.722 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.664 10.917 -0.323 1.00 2.00 CA HETATM 2677 ZN ZN A 176 2.865 12.222 3.785 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.591 -0.385 7.138 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 6.911 2.787 10.766 1.00 0.00 C HETATM 2680 C2 MDW A 178 5.954 3.767 11.024 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.799 4.217 12.299 1.00 0.00 O HETATM 2682 C7 MDW A 178 5.119 4.238 10.005 1.00 0.00 C HETATM 2683 O12 MDW A 178 4.146 5.187 10.279 1.00 0.00 O HETATM 2684 C13 MDW A 178 2.813 5.049 9.724 1.00 0.00 C HETATM 2685 C6 MDW A 178 5.269 3.722 8.712 1.00 0.00 C HETATM 2686 C5 MDW A 178 6.187 2.702 8.454 1.00 0.00 C HETATM 2687 C8 MDW A 178 6.205 2.081 7.064 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.897 1.366 6.810 1.00 0.00 C HETATM 2689 O15 MDW A 178 4.602 0.278 7.369 1.00 0.00 O HETATM 2690 N16 MDW A 178 4.037 1.990 5.969 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.851 1.348 5.637 1.00 0.00 O HETATM 2692 C4 MDW A 178 7.004 2.228 9.491 1.00 0.00 C HETATM 2693 C10 MDW A 178 7.971 1.091 9.250 1.00 0.00 C HETATM 2694 C11 MDW A 178 7.635 0.293 7.985 1.00 0.00 C HETATM 2695 N9 MDW A 178 7.367 1.176 6.838 1.00 0.00 N HETATM 2696 S18 MDW A 178 8.714 1.785 6.077 1.00 0.00 S HETATM 2697 O40 MDW A 178 8.415 3.187 5.713 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.959 1.498 6.853 1.00 0.00 O HETATM 2699 C19 MDW A 178 8.687 0.873 4.575 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.726 1.179 3.607 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.807 0.576 2.353 1.00 0.00 C HETATM 2702 C22 MDW A 178 8.849 -0.316 2.071 1.00 0.00 C HETATM 2703 O25 MDW A 178 8.949 -0.878 0.818 1.00 0.00 O HETATM 2704 C26 MDW A 178 9.112 -2.302 0.672 1.00 0.00 C HETATM 2705 C23 MDW A 178 9.791 -0.629 3.054 1.00 0.00 C HETATM 2706 C24 MDW A 178 9.694 -0.058 4.318 1.00 0.00 C HETATM 0 H48 MDW A 178 6.923 1.881 3.830 1.00 0.00 H new HETATM 0 H47 MDW A 178 10.028 -2.617 1.172 1.00 0.00 H new HETATM 0 H46 MDW A 178 8.260 -2.814 1.120 1.00 0.00 H new HETATM 0 H45 MDW A 178 9.172 -2.555 -0.387 1.00 0.00 H new HETATM 0 H44 MDW A 178 10.399 -0.335 5.102 1.00 0.00 H new HETATM 0 H43 MDW A 178 10.603 -1.321 2.830 1.00 0.00 H new HETATM 0 H42 MDW A 178 7.059 0.799 1.592 1.00 0.00 H new HETATM 0 H38 MDW A 178 4.256 2.911 5.588 1.00 0.00 H new HETATM 0 H37 MDW A 178 2.871 5.042 8.636 1.00 0.00 H new HETATM 0 H36 MDW A 178 2.370 4.115 10.069 1.00 0.00 H new HETATM 0 H35 MDW A 178 2.195 5.886 10.049 1.00 0.00 H new HETATM 0 H34 MDW A 178 8.463 -0.374 7.745 1.00 0.00 H new HETATM 0 H33 MDW A 178 6.764 -0.335 8.172 1.00 0.00 H new HETATM 0 H32 MDW A 178 8.982 1.490 9.166 1.00 0.00 H new HETATM 0 H31 MDW A 178 7.962 0.422 10.111 1.00 0.00 H new HETATM 0 H30 MDW A 178 6.322 2.894 6.347 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.663 4.121 7.898 1.00 0.00 H new HETATM 0 H28 MDW A 178 7.584 2.458 11.558 1.00 0.00 H new HETATM 0 H27 MDW A 178 5.353 5.089 12.286 1.00 0.00 H new