USER MOD reduce.3.24.130724 H: found=0, std=0, add=1323, 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 120 HIS HE2 : A 120 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD Set 1.1: A 124 HIS : no HD1:sc= -0.244 K(o=-0.84,f=-2.5) USER MOD Set 1.2: A 130 HIS : no HD1:sc= -0.594 K(o=-0.84,f=-1.7) USER MOD Set 2.1: A 69 HIS : no HD1:sc= -0.9 K(o=-3.4,f=-4.3) USER MOD Set 2.2: A 97 HIS : no HD1:sc= -2.51 K(o=-3.4,f=-4.9) USER MOD Single : A 1 TYR OH : rot 30:sc= 0 USER MOD Single : A 2 SER OG : rot -160:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0993 X(o=-0.099,f=-0.001) USER MOD Single : A 7 SER OG : rot 72:sc= 0.0127 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -125:sc= 1.17 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc=-0.00932 (180deg=-0.819) USER MOD Single : A 16 THR OG1 : rot -120:sc= -0.404 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 158:sc= 0.487 USER MOD Single : A 22 TYR OH : rot -27:sc= 0.536 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0868 USER MOD Single : A 28 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.35) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -154:sc= -1.11 (180deg=-1.64) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.0409 K(o=0.041,f=-0.98) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 84 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-4.6) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 150: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= 0.411 K(o=0.41,f=-13!) USER MOD Single : A 116 TYR OH : rot 166:sc=-0.00139 USER MOD Single : A 119 THR OG1 : rot 96:sc= 0.813 USER MOD Single : A 125 SER OG : rot -42:sc= 0.765 USER MOD Single : A 128 MET CE :methyl 169:sc= -0.651 (180deg=-0.988) USER MOD Single : A 131 SER OG : rot 46:sc= 0.258 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl -157:sc= -0.269 (180deg=-1.43) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= 0.129 USER MOD Single : A 144 ASN : amide:sc= -0.179 K(o=-0.18,f=-2!) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 149 ASN : amide:sc= -0.434 K(o=-0.43,f=-2.1!) USER MOD Single : A 151 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00953) USER MOD Single : A 153 SER OG : rot -174:sc= 0.0381 USER MOD Single : A 154 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.7) USER MOD Single : A 158 LYS NZ :NH3+ -137:sc= -0.0169 (180deg=-0.443) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc=-0.00392 USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot 170:sc= 0.01 USER MOD Single : A 178 MDW O17 : rot -114:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -9.775 -4.633 11.564 1.00 0.56 C ATOM 2 C TYR A 1 -8.598 -5.545 11.923 1.00 0.57 C ATOM 3 O TYR A 1 -8.860 -6.596 12.493 1.00 -0.57 O ATOM 4 CB TYR A 1 -10.095 -4.689 10.073 1.00 0.14 C ATOM 5 CG TYR A 1 -11.568 -4.603 9.713 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -12.558 -5.220 10.508 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -11.947 -3.946 8.525 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -13.905 -5.203 10.108 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -13.290 -3.906 8.132 1.00 -0.15 C ATOM 10 CZ TYR A 1 -14.274 -4.549 8.913 1.00 0.08 C ATOM 11 OH TYR A 1 -15.573 -4.538 8.508 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -9.570 -3.873 9.576 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -9.694 -5.619 9.669 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -12.278 -5.708 11.430 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -11.195 -3.470 7.913 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -14.656 -5.689 10.713 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -13.573 -3.383 7.231 1.00 -0.15 H new ATOM 0 HH TYR A 1 -16.160 -4.571 9.292 1.00 -0.53 H new ATOM 20 N SER A 2 -7.342 -5.200 11.590 1.00 -0.73 N ATOM 21 CA SER A 2 -6.174 -6.041 11.880 1.00 0.36 C ATOM 22 C SER A 2 -5.470 -5.655 13.197 1.00 0.57 C ATOM 23 O SER A 2 -4.456 -6.253 13.550 1.00 -0.57 O ATOM 24 CB SER A 2 -5.215 -5.969 10.682 1.00 0.28 C ATOM 25 OG SER A 2 -4.738 -4.648 10.495 1.00 -0.68 O ATOM 0 H SER A 2 -7.111 -4.329 11.112 1.00 -0.73 H new ATOM 0 HA SER A 2 -6.510 -7.067 12.026 1.00 0.36 H new ATOM 0 HB2 SER A 2 -4.374 -6.644 10.843 1.00 0.28 H new ATOM 0 HB3 SER A 2 -5.727 -6.306 9.781 1.00 0.28 H new ATOM 0 HG SER A 2 -4.402 -4.548 9.580 1.00 -0.68 H new ATOM 31 N LEU A 3 -5.976 -4.631 13.905 1.00 -0.73 N ATOM 32 CA LEU A 3 -5.379 -4.085 15.125 1.00 0.36 C ATOM 33 C LEU A 3 -6.414 -3.249 15.891 1.00 0.57 C ATOM 34 O LEU A 3 -6.664 -3.517 17.067 1.00 -0.57 O ATOM 35 CB LEU A 3 -4.137 -3.220 14.781 1.00 0.00 C ATOM 36 CG LEU A 3 -2.849 -3.676 15.508 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.824 -4.250 14.521 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.204 -2.510 16.267 1.00 0.00 C ATOM 0 H LEU A 3 -6.834 -4.151 13.633 1.00 -0.73 H new ATOM 0 HA LEU A 3 -5.059 -4.913 15.757 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -3.968 -3.252 13.705 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.344 -2.182 15.041 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.142 -4.453 16.214 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.931 -4.561 15.063 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.255 -5.110 14.008 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.557 -3.487 13.789 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.301 -2.858 16.769 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.947 -1.717 15.565 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.905 -2.126 17.007 1.00 0.00 H new ATOM 50 N PHE A 4 -7.018 -2.275 15.198 1.00 -0.73 N ATOM 51 CA PHE A 4 -8.062 -1.375 15.687 1.00 0.36 C ATOM 52 C PHE A 4 -9.465 -1.963 15.407 1.00 0.57 C ATOM 53 O PHE A 4 -9.549 -2.961 14.686 1.00 -0.57 O ATOM 54 CB PHE A 4 -7.849 -0.008 14.996 1.00 0.14 C ATOM 55 CG PHE A 4 -6.867 0.889 15.729 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -7.278 1.575 16.889 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -5.542 1.033 15.268 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -6.371 2.383 17.596 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -4.637 1.848 15.974 1.00 -0.15 C ATOM 60 CZ PHE A 4 -5.048 2.520 17.138 1.00 -0.15 C ATOM 0 H PHE A 4 -6.775 -2.086 14.226 1.00 -0.73 H new ATOM 0 HA PHE A 4 -8.000 -1.250 16.768 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -7.490 -0.174 13.980 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -8.808 0.504 14.916 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -8.296 1.479 17.237 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -5.222 0.518 14.374 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -6.689 2.898 18.490 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -3.623 1.957 15.620 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -4.349 3.140 17.680 1.00 -0.15 H new ATOM 70 N PRO A 5 -10.562 -1.379 15.936 1.00 -0.66 N ATOM 71 CA PRO A 5 -11.937 -1.777 15.620 1.00 0.36 C ATOM 72 C PRO A 5 -12.367 -1.385 14.185 1.00 0.57 C ATOM 73 O PRO A 5 -11.529 -1.228 13.285 1.00 -0.57 O ATOM 74 CB PRO A 5 -12.805 -1.174 16.746 1.00 0.00 C ATOM 75 CG PRO A 5 -11.978 -0.057 17.375 1.00 0.00 C ATOM 76 CD PRO A 5 -10.544 -0.303 16.919 1.00 0.30 C ATOM 0 HA PRO A 5 -12.053 -2.861 15.599 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -13.743 -0.786 16.348 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.062 -1.931 17.487 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.330 0.922 17.050 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.053 -0.078 18.462 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.122 0.603 16.484 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -9.915 -0.573 17.768 1.00 0.30 H new ATOM 84 N ASN A 6 -13.687 -1.294 13.954 1.00 -0.73 N ATOM 85 CA ASN A 6 -14.274 -0.682 12.763 1.00 0.36 C ATOM 86 C ASN A 6 -13.758 0.757 12.614 1.00 0.57 C ATOM 87 O ASN A 6 -13.462 1.414 13.613 1.00 -0.57 O ATOM 88 CB ASN A 6 -15.813 -0.687 12.857 1.00 0.06 C ATOM 89 CG ASN A 6 -16.293 0.385 13.833 1.00 0.57 C ATOM 90 OD1 ASN A 6 -16.266 0.172 15.040 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -16.650 1.561 13.328 1.00 -0.80 N ATOM 0 H ASN A 6 -14.385 -1.652 14.606 1.00 -0.73 H new ATOM 0 HA ASN A 6 -13.981 -1.261 11.887 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -16.244 -0.509 11.872 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -16.160 -1.667 13.185 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -16.914 2.325 13.951 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -16.660 1.700 12.318 1.00 -0.80 H new ATOM 98 N SER A 7 -13.697 1.225 11.362 1.00 -0.73 N ATOM 99 CA SER A 7 -13.118 2.478 10.863 1.00 0.36 C ATOM 100 C SER A 7 -12.652 2.279 9.417 1.00 0.57 C ATOM 101 O SER A 7 -13.056 3.070 8.565 1.00 -0.57 O ATOM 102 CB SER A 7 -11.949 3.020 11.708 1.00 0.28 C ATOM 103 OG SER A 7 -12.380 4.050 12.574 1.00 -0.68 O ATOM 0 H SER A 7 -14.092 0.680 10.595 1.00 -0.73 H new ATOM 0 HA SER A 7 -13.909 3.225 10.929 1.00 0.36 H new ATOM 0 HB2 SER A 7 -11.512 2.210 12.291 1.00 0.28 H new ATOM 0 HB3 SER A 7 -11.166 3.398 11.051 1.00 0.28 H new ATOM 0 HG SER A 7 -12.922 3.666 13.295 1.00 -0.68 H new ATOM 109 N PRO A 8 -11.816 1.262 9.110 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.374 1.032 7.748 1.00 0.36 C ATOM 111 C PRO A 8 -12.453 0.342 6.907 1.00 0.57 C ATOM 112 O PRO A 8 -13.430 -0.182 7.445 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.118 0.178 7.865 1.00 0.00 C ATOM 114 CG PRO A 8 -10.238 -0.550 9.197 1.00 0.00 C ATOM 115 CD PRO A 8 -11.230 0.271 10.008 1.00 0.30 C ATOM 0 HA PRO A 8 -11.171 1.971 7.233 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.046 -0.528 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.220 0.796 7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.592 -1.571 9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.273 -0.613 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.004 -0.370 10.429 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -10.730 0.759 10.845 1.00 0.30 H new ATOM 123 N LYS A 9 -12.190 0.316 5.592 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.054 -0.079 4.480 1.00 0.36 C ATOM 125 C LYS A 9 -13.872 1.142 4.040 1.00 0.57 C ATOM 126 O LYS A 9 -14.418 1.871 4.868 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.880 -1.362 4.758 1.00 0.00 C ATOM 128 CG LYS A 9 -15.356 -1.143 5.137 1.00 0.00 C ATOM 129 CD LYS A 9 -16.040 -2.419 5.654 1.00 0.00 C ATOM 130 CE LYS A 9 -17.427 -2.559 5.018 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.132 -3.792 5.440 1.00 -0.85 N ATOM 0 H LYS A 9 -11.272 0.601 5.251 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.439 -0.388 3.635 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.843 -1.994 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.396 -1.915 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.418 -0.369 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.898 -0.774 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.431 -3.291 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.130 -2.380 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.032 -1.692 5.283 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.326 -2.558 3.933 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.064 -3.834 4.980 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.572 -4.624 5.165 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.256 -3.785 6.473 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.923 1.384 2.731 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.761 2.420 2.132 1.00 0.36 C ATOM 147 C TRP A 10 -16.237 1.989 2.164 1.00 0.57 C ATOM 148 O TRP A 10 -16.558 0.871 2.559 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.281 2.678 0.695 1.00 0.18 C ATOM 150 CG TRP A 10 -12.800 2.866 0.534 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.917 1.884 0.241 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -12.004 4.086 0.659 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.644 2.407 0.162 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.640 3.764 0.385 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.287 5.433 0.976 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.621 4.727 0.391 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.268 6.404 1.003 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.940 6.054 0.714 1.00 -0.15 C ATOM 0 H TRP A 10 -13.376 0.859 2.048 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.678 3.346 2.701 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.594 1.842 0.070 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.786 3.566 0.315 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -12.171 0.845 0.091 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.809 1.856 -0.037 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.303 5.723 1.202 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.605 4.451 0.150 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.510 7.427 1.248 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.165 6.805 0.740 1.00 -0.15 H new ATOM 169 N THR A 11 -17.141 2.855 1.693 1.00 -0.73 N ATOM 170 CA THR A 11 -18.577 2.562 1.628 1.00 0.36 C ATOM 171 C THR A 11 -19.012 2.181 0.197 1.00 0.57 C ATOM 172 O THR A 11 -20.088 1.615 0.015 1.00 -0.57 O ATOM 173 CB THR A 11 -19.341 3.765 2.227 1.00 0.28 C ATOM 174 OG1 THR A 11 -19.020 3.861 3.607 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.865 3.664 2.118 1.00 0.00 C ATOM 0 H THR A 11 -16.896 3.782 1.345 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.821 1.683 2.224 1.00 0.36 H new ATOM 0 HB THR A 11 -19.032 4.637 1.651 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.496 4.621 4.001 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -21.321 4.549 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.151 3.597 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.209 2.774 2.646 1.00 0.00 H new ATOM 183 N SER A 12 -18.177 2.446 -0.814 1.00 -0.73 N ATOM 184 CA SER A 12 -18.417 2.082 -2.210 1.00 0.36 C ATOM 185 C SER A 12 -17.618 0.822 -2.572 1.00 0.57 C ATOM 186 O SER A 12 -16.645 0.469 -1.906 1.00 -0.57 O ATOM 187 CB SER A 12 -18.028 3.290 -3.078 1.00 0.28 C ATOM 188 OG SER A 12 -18.020 2.998 -4.458 1.00 -0.68 O ATOM 0 H SER A 12 -17.292 2.933 -0.677 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.466 1.843 -2.383 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.726 4.106 -2.889 1.00 0.28 H new ATOM 0 HB3 SER A 12 -17.040 3.641 -2.781 1.00 0.28 H new ATOM 0 HG SER A 12 -17.148 3.233 -4.837 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.010 0.176 -3.679 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.289 -0.939 -4.307 1.00 0.36 C ATOM 196 C LYS A 13 -16.227 -0.464 -5.307 1.00 0.57 C ATOM 197 O LYS A 13 -15.485 -1.293 -5.844 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.301 -1.861 -5.010 1.00 0.00 C ATOM 199 CG LYS A 13 -18.917 -2.847 -4.010 1.00 0.00 C ATOM 200 CD LYS A 13 -20.087 -3.653 -4.593 1.00 0.00 C ATOM 201 CE LYS A 13 -21.421 -2.898 -4.493 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.677 -1.971 -5.619 1.00 -0.85 N ATOM 0 H LYS A 13 -18.865 0.423 -4.177 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.763 -1.481 -3.521 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -19.087 -1.263 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.806 -2.409 -5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.145 -3.536 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.264 -2.297 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.881 -3.885 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.169 -4.603 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.233 -3.623 -4.441 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -21.438 -2.333 -3.561 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.703 -1.855 -5.747 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -21.248 -1.047 -5.412 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.261 -2.359 -6.490 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.145 0.847 -5.544 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.149 1.466 -6.399 1.00 0.36 C ATOM 218 C VAL A 14 -14.574 2.668 -5.654 1.00 0.57 C ATOM 219 O VAL A 14 -15.315 3.396 -4.983 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.743 1.816 -7.782 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.800 2.933 -7.742 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.631 2.192 -8.775 1.00 0.00 C ATOM 0 H VAL A 14 -16.791 1.520 -5.131 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.333 0.776 -6.613 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.253 0.913 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.169 3.121 -8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.629 2.627 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.352 3.844 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.073 2.434 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.084 3.057 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.946 1.352 -8.890 1.00 0.00 H new ATOM 232 N VAL A 15 -13.261 2.863 -5.793 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.501 3.888 -5.092 1.00 0.36 C ATOM 234 C VAL A 15 -11.633 4.581 -6.135 1.00 0.57 C ATOM 235 O VAL A 15 -11.142 3.938 -7.066 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.635 3.258 -3.979 1.00 0.00 C ATOM 237 CG1 VAL A 15 -11.070 4.350 -3.067 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.403 2.263 -3.103 1.00 0.00 C ATOM 0 H VAL A 15 -12.686 2.294 -6.414 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.164 4.604 -4.607 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.840 2.717 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.461 3.893 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.455 5.032 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.891 4.903 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.736 1.858 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.238 2.772 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.783 1.450 -3.722 1.00 0.00 H new ATOM 248 N THR A 16 -11.445 5.892 -5.999 1.00 -0.73 N ATOM 249 CA THR A 16 -10.641 6.647 -6.948 1.00 0.36 C ATOM 250 C THR A 16 -9.234 6.854 -6.382 1.00 0.57 C ATOM 251 O THR A 16 -9.075 7.143 -5.194 1.00 -0.57 O ATOM 252 CB THR A 16 -11.377 7.926 -7.389 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.472 8.821 -7.980 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.155 8.666 -6.295 1.00 0.00 C ATOM 0 H THR A 16 -11.839 6.450 -5.241 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.501 6.086 -7.872 1.00 0.36 H new ATOM 0 HB THR A 16 -12.128 7.572 -8.095 1.00 0.28 H new ATOM 0 HG1 THR A 16 -10.463 9.660 -7.473 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.631 9.549 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.918 8.006 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.470 8.970 -5.503 1.00 0.00 H new ATOM 262 N TYR A 17 -8.210 6.750 -7.240 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.817 6.979 -6.868 1.00 0.36 C ATOM 264 C TYR A 17 -6.170 7.996 -7.810 1.00 0.57 C ATOM 265 O TYR A 17 -6.663 8.237 -8.915 1.00 -0.57 O ATOM 266 CB TYR A 17 -6.032 5.652 -6.819 1.00 0.14 C ATOM 267 CG TYR A 17 -5.475 5.167 -8.147 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.299 4.491 -9.063 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.123 5.406 -8.471 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.786 4.081 -10.307 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.598 4.989 -9.705 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.435 4.334 -10.636 1.00 0.08 C ATOM 273 OH TYR A 17 -3.962 3.962 -11.858 1.00 -0.53 O ATOM 0 H TYR A 17 -8.332 6.501 -8.222 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.790 7.401 -5.863 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -5.205 5.766 -6.119 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.686 4.879 -6.416 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.329 4.286 -8.811 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.485 5.915 -7.763 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.426 3.572 -11.012 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.559 5.168 -9.941 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.016 4.206 -11.931 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.054 8.589 -7.372 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.218 9.460 -8.191 1.00 0.36 C ATOM 285 C ARG A 18 -2.776 9.379 -7.714 1.00 0.57 C ATOM 286 O ARG A 18 -2.521 9.017 -6.570 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.708 10.924 -8.125 1.00 0.00 C ATOM 288 CG ARG A 18 -5.368 11.337 -9.446 1.00 0.00 C ATOM 289 CD ARG A 18 -5.583 12.856 -9.530 1.00 0.33 C ATOM 290 NE ARG A 18 -4.499 13.542 -10.264 1.00 -0.84 N ATOM 291 CZ ARG A 18 -4.377 13.583 -11.602 1.00 1.20 C ATOM 292 NH1 ARG A 18 -5.220 12.917 -12.390 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -3.398 14.286 -12.172 1.00 -0.97 N ATOM 0 H ARG A 18 -4.704 8.472 -6.421 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.283 9.125 -9.226 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.419 11.038 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.868 11.584 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.746 11.012 -10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.327 10.829 -9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.535 13.058 -10.022 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.651 13.266 -8.522 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.788 14.022 -9.712 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -5.973 12.365 -11.980 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -5.112 12.960 -13.403 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -2.734 14.799 -11.592 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -3.313 14.311 -13.188 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.848 9.787 -8.582 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.416 9.781 -8.324 1.00 0.36 C ATOM 309 C ILE A 19 0.033 11.234 -8.511 1.00 0.57 C ATOM 310 O ILE A 19 0.368 11.641 -9.622 1.00 -0.57 O ATOM 311 CB ILE A 19 0.327 8.767 -9.232 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.328 7.360 -9.221 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.795 8.681 -8.773 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.241 6.421 -10.291 1.00 0.00 C ATOM 0 H ILE A 19 -2.084 10.140 -9.509 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.175 9.441 -7.317 1.00 0.36 H new ATOM 0 HB ILE A 19 0.267 9.123 -10.260 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.188 6.909 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.402 7.465 -9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.332 7.971 -9.402 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.260 9.663 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.833 8.348 -7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.259 5.454 -10.230 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.077 6.853 -11.278 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.310 6.287 -10.127 1.00 0.00 H new ATOM 326 N VAL A 20 -0.076 12.045 -7.449 1.00 -0.73 N ATOM 327 CA VAL A 20 0.231 13.479 -7.503 1.00 0.36 C ATOM 328 C VAL A 20 1.705 13.686 -7.874 1.00 0.57 C ATOM 329 O VAL A 20 2.013 14.288 -8.906 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.166 14.193 -6.183 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.692 14.368 -6.111 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.296 13.501 -4.888 1.00 0.00 C ATOM 0 H VAL A 20 -0.379 11.724 -6.530 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.370 13.942 -8.285 1.00 0.36 H new ATOM 0 HB VAL A 20 0.358 15.148 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.957 14.870 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.030 14.968 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.172 13.390 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.034 14.083 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.134 12.501 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.384 13.429 -4.882 1.00 0.00 H new ATOM 342 N SER A 21 2.599 13.090 -7.083 1.00 -0.73 N ATOM 343 CA SER A 21 4.035 13.088 -7.286 1.00 0.36 C ATOM 344 C SER A 21 4.403 11.650 -7.613 1.00 0.57 C ATOM 345 O SER A 21 4.269 10.767 -6.768 1.00 -0.57 O ATOM 346 CB SER A 21 4.793 13.636 -6.061 1.00 0.28 C ATOM 347 OG SER A 21 4.097 13.509 -4.835 1.00 -0.68 O ATOM 0 H SER A 21 2.321 12.574 -6.248 1.00 -0.73 H new ATOM 0 HA SER A 21 4.325 13.754 -8.099 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.748 13.116 -5.978 1.00 0.28 H new ATOM 0 HB3 SER A 21 5.017 14.689 -6.230 1.00 0.28 H new ATOM 0 HG SER A 21 4.736 13.534 -4.092 1.00 -0.68 H new ATOM 353 N TYR A 22 4.817 11.441 -8.862 1.00 -0.73 N ATOM 354 CA TYR A 22 5.272 10.178 -9.420 1.00 0.36 C ATOM 355 C TYR A 22 6.812 10.151 -9.339 1.00 0.57 C ATOM 356 O TYR A 22 7.448 11.206 -9.373 1.00 -0.57 O ATOM 357 CB TYR A 22 4.704 10.059 -10.851 1.00 0.14 C ATOM 358 CG TYR A 22 5.597 9.374 -11.864 1.00 -0.14 C ATOM 359 CD1 TYR A 22 5.828 7.986 -11.805 1.00 -0.15 C ATOM 360 CD2 TYR A 22 6.250 10.158 -12.830 1.00 -0.15 C ATOM 361 CE1 TYR A 22 6.762 7.392 -12.676 1.00 -0.15 C ATOM 362 CE2 TYR A 22 7.168 9.576 -13.715 1.00 -0.15 C ATOM 363 CZ TYR A 22 7.446 8.196 -13.619 1.00 0.08 C ATOM 364 OH TYR A 22 8.400 7.665 -14.430 1.00 -0.53 O ATOM 0 H TYR A 22 4.844 12.196 -9.548 1.00 -0.73 H new ATOM 0 HA TYR A 22 4.915 9.308 -8.869 1.00 0.36 H new ATOM 0 HB2 TYR A 22 3.760 9.516 -10.802 1.00 0.14 H new ATOM 0 HB3 TYR A 22 4.477 11.061 -11.215 1.00 0.14 H new ATOM 0 HD1 TYR A 22 5.290 7.378 -11.093 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 6.043 11.216 -12.891 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 6.955 6.331 -12.625 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 7.659 10.179 -14.465 1.00 -0.15 H new ATOM 0 HH TYR A 22 8.807 6.889 -13.992 1.00 -0.53 H new ATOM 374 N THR A 23 7.395 8.953 -9.179 1.00 -0.73 N ATOM 375 CA THR A 23 8.836 8.739 -9.017 1.00 0.36 C ATOM 376 C THR A 23 9.548 8.942 -10.366 1.00 0.57 C ATOM 377 O THR A 23 8.955 9.400 -11.340 1.00 -0.57 O ATOM 378 CB THR A 23 9.093 7.361 -8.347 1.00 0.28 C ATOM 379 OG1 THR A 23 10.469 7.133 -8.090 1.00 -0.68 O ATOM 380 CG2 THR A 23 8.567 6.164 -9.148 1.00 0.00 C ATOM 0 H THR A 23 6.860 8.085 -9.159 1.00 -0.73 H new ATOM 0 HA THR A 23 9.267 9.478 -8.342 1.00 0.36 H new ATOM 0 HB THR A 23 8.535 7.427 -7.413 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.582 6.256 -7.667 1.00 -0.68 H new ATOM 0 HG21 THR A 23 8.787 5.242 -8.611 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.489 6.259 -9.279 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.050 6.139 -10.125 1.00 0.00 H new ATOM 388 N ARG A 24 10.832 8.589 -10.445 1.00 -0.73 N ATOM 389 CA ARG A 24 11.604 8.657 -11.688 1.00 0.36 C ATOM 390 C ARG A 24 12.578 7.501 -11.903 1.00 0.57 C ATOM 391 O ARG A 24 13.058 7.349 -13.026 1.00 -0.57 O ATOM 392 CB ARG A 24 12.360 9.995 -11.751 1.00 0.00 C ATOM 393 CG ARG A 24 11.537 11.110 -12.421 1.00 0.00 C ATOM 394 CD ARG A 24 12.443 12.038 -13.253 1.00 0.33 C ATOM 395 NE ARG A 24 11.799 12.496 -14.499 1.00 -0.84 N ATOM 396 CZ ARG A 24 11.552 11.736 -15.583 1.00 1.20 C ATOM 397 NH1 ARG A 24 11.821 10.429 -15.599 1.00 -0.97 N ATOM 398 NH2 ARG A 24 11.020 12.278 -16.678 1.00 -0.97 N ATOM 0 H ARG A 24 11.368 8.247 -9.647 1.00 -0.73 H new ATOM 0 HA ARG A 24 10.875 8.577 -12.495 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.629 10.304 -10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.291 9.856 -12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.774 10.669 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.016 11.691 -11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.719 12.904 -12.652 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.366 11.513 -13.498 1.00 0.33 H new ATOM 0 HE ARG A 24 11.516 13.475 -14.543 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 12.224 9.981 -14.776 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 11.623 9.878 -16.434 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 10.798 13.273 -16.698 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 10.835 11.698 -17.496 1.00 -0.97 H new ATOM 412 N ASP A 25 12.868 6.713 -10.863 1.00 -0.73 N ATOM 413 CA ASP A 25 13.792 5.573 -10.900 1.00 0.36 C ATOM 414 C ASP A 25 13.261 4.465 -11.837 1.00 0.57 C ATOM 415 O ASP A 25 14.030 3.793 -12.519 1.00 -0.57 O ATOM 416 CB ASP A 25 13.954 5.106 -9.440 1.00 0.06 C ATOM 417 CG ASP A 25 15.236 4.331 -9.091 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.585 4.424 -7.926 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.886 3.658 -10.036 1.00 -0.65 O ATOM 0 H ASP A 25 12.453 6.855 -9.942 1.00 -0.73 H new ATOM 0 HA ASP A 25 14.764 5.846 -11.310 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.904 5.984 -8.796 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.100 4.477 -9.189 1.00 0.06 H new ATOM 425 N LEU A 26 11.927 4.363 -11.956 1.00 -0.73 N ATOM 426 CA LEU A 26 11.198 3.465 -12.853 1.00 0.36 C ATOM 427 C LEU A 26 10.200 4.300 -13.674 1.00 0.57 C ATOM 428 O LEU A 26 9.732 5.323 -13.170 1.00 -0.57 O ATOM 429 CB LEU A 26 10.450 2.332 -12.105 1.00 0.00 C ATOM 430 CG LEU A 26 9.888 2.681 -10.711 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.626 1.887 -10.359 1.00 0.00 C ATOM 432 CD2 LEU A 26 10.921 2.348 -9.640 1.00 0.00 C ATOM 0 H LEU A 26 11.298 4.939 -11.396 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.927 2.976 -13.499 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.624 1.997 -12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.131 1.487 -11.997 1.00 0.00 H new ATOM 0 HG LEU A 26 9.647 3.744 -10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.279 2.177 -9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.847 2.098 -11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.853 0.821 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.519 2.596 -8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.155 1.284 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.828 2.925 -9.818 1.00 0.00 H new ATOM 444 N PRO A 27 9.860 3.878 -14.912 1.00 -0.66 N ATOM 445 CA PRO A 27 8.991 4.635 -15.814 1.00 0.36 C ATOM 446 C PRO A 27 7.527 4.652 -15.352 1.00 0.57 C ATOM 447 O PRO A 27 7.080 3.743 -14.654 1.00 -0.57 O ATOM 448 CB PRO A 27 9.149 3.976 -17.190 1.00 0.00 C ATOM 449 CG PRO A 27 9.708 2.578 -16.926 1.00 0.00 C ATOM 450 CD PRO A 27 10.345 2.657 -15.542 1.00 0.30 C ATOM 0 HA PRO A 27 9.279 5.686 -15.837 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.192 3.922 -17.709 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.823 4.552 -17.824 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.919 1.827 -16.954 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.442 2.298 -17.682 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.078 1.785 -14.946 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.432 2.670 -15.619 1.00 0.30 H new ATOM 458 N HIS A 28 6.750 5.650 -15.795 1.00 -0.73 N ATOM 459 CA HIS A 28 5.347 5.825 -15.403 1.00 0.36 C ATOM 460 C HIS A 28 4.463 4.690 -15.907 1.00 0.57 C ATOM 461 O HIS A 28 3.520 4.314 -15.219 1.00 -0.57 O ATOM 462 CB HIS A 28 4.784 7.182 -15.858 1.00 0.17 C ATOM 463 CG HIS A 28 5.276 7.648 -17.201 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.207 8.638 -17.400 1.00 -0.70 N ATOM 465 CD2 HIS A 28 4.935 7.155 -18.433 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.430 8.728 -18.722 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.682 7.842 -19.397 1.00 -0.70 N ATOM 0 H HIS A 28 7.082 6.365 -16.442 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.334 5.802 -14.313 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.696 7.117 -15.887 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.039 7.934 -15.112 1.00 0.17 H new ATOM 0 HD2 HIS A 28 4.216 6.373 -18.627 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.120 9.421 -19.180 1.00 0.65 H new ATOM 0 HE2 HIS A 28 5.662 7.698 -20.407 1.00 -0.70 H new ATOM 476 N ILE A 29 4.785 4.125 -17.078 1.00 -0.73 N ATOM 477 CA ILE A 29 4.089 2.960 -17.604 1.00 0.36 C ATOM 478 C ILE A 29 4.293 1.788 -16.631 1.00 0.57 C ATOM 479 O ILE A 29 3.321 1.138 -16.256 1.00 -0.57 O ATOM 480 CB ILE A 29 4.541 2.705 -19.067 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.441 2.072 -19.949 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.878 1.952 -19.197 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.054 0.627 -19.626 1.00 0.00 C ATOM 0 H ILE A 29 5.534 4.467 -17.680 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.011 3.111 -17.666 1.00 0.36 H new ATOM 0 HB ILE A 29 4.725 3.706 -19.459 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.546 2.690 -19.874 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.771 2.113 -20.987 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.118 1.816 -20.252 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.668 2.528 -18.716 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.795 0.978 -18.716 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.274 0.297 -20.313 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.928 -0.016 -19.733 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.684 0.570 -18.602 1.00 0.00 H new ATOM 495 N THR A 30 5.525 1.591 -16.136 1.00 -0.73 N ATOM 496 CA THR A 30 5.819 0.617 -15.099 1.00 0.36 C ATOM 497 C THR A 30 5.116 1.012 -13.803 1.00 0.57 C ATOM 498 O THR A 30 4.554 0.127 -13.182 1.00 -0.57 O ATOM 499 CB THR A 30 7.340 0.451 -14.920 1.00 0.28 C ATOM 500 OG1 THR A 30 7.855 -0.379 -15.942 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.771 -0.166 -13.583 1.00 0.00 C ATOM 0 H THR A 30 6.343 2.111 -16.453 1.00 -0.73 H new ATOM 0 HA THR A 30 5.434 -0.358 -15.397 1.00 0.36 H new ATOM 0 HB THR A 30 7.734 1.467 -14.957 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.823 -0.480 -15.825 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.858 -0.242 -13.551 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.427 0.465 -12.763 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.335 -1.160 -13.483 1.00 0.00 H new ATOM 509 N VAL A 31 5.093 2.286 -13.387 1.00 -0.73 N ATOM 510 CA VAL A 31 4.368 2.674 -12.176 1.00 0.36 C ATOM 511 C VAL A 31 2.887 2.297 -12.297 1.00 0.57 C ATOM 512 O VAL A 31 2.365 1.657 -11.392 1.00 -0.57 O ATOM 513 CB VAL A 31 4.629 4.150 -11.790 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.411 4.886 -11.211 1.00 0.00 C ATOM 515 CG2 VAL A 31 5.771 4.235 -10.768 1.00 0.00 C ATOM 0 H VAL A 31 5.563 3.054 -13.866 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.757 2.105 -11.331 1.00 0.36 H new ATOM 0 HB VAL A 31 4.886 4.645 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.687 5.912 -10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.605 4.890 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.075 4.378 -10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.946 5.278 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.501 3.674 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.678 3.813 -11.200 1.00 0.00 H new ATOM 525 N ASP A 32 2.219 2.630 -13.403 1.00 -0.73 N ATOM 526 CA ASP A 32 0.800 2.336 -13.611 1.00 0.36 C ATOM 527 C ASP A 32 0.593 0.813 -13.693 1.00 0.57 C ATOM 528 O ASP A 32 -0.295 0.262 -13.038 1.00 -0.57 O ATOM 529 CB ASP A 32 0.343 3.096 -14.872 1.00 0.06 C ATOM 530 CG ASP A 32 -1.172 3.130 -15.137 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.684 4.219 -15.336 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.824 1.974 -15.228 1.00 -0.65 O ATOM 0 H ASP A 32 2.653 3.116 -14.188 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.185 2.674 -12.777 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.701 4.123 -14.801 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.831 2.648 -15.737 1.00 0.06 H new ATOM 538 N ARG A 33 1.483 0.100 -14.400 1.00 -0.73 N ATOM 539 CA ARG A 33 1.411 -1.355 -14.538 1.00 0.36 C ATOM 540 C ARG A 33 1.667 -2.091 -13.236 1.00 0.57 C ATOM 541 O ARG A 33 0.919 -3.014 -12.923 1.00 -0.57 O ATOM 542 CB ARG A 33 2.409 -1.860 -15.596 1.00 0.00 C ATOM 543 CG ARG A 33 1.851 -1.783 -17.021 1.00 0.00 C ATOM 544 CD ARG A 33 0.590 -2.652 -17.148 1.00 0.33 C ATOM 545 NE ARG A 33 0.611 -3.552 -18.309 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.121 -4.675 -18.401 1.00 1.20 C ATOM 547 NH1 ARG A 33 -0.994 -4.997 -17.446 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.023 -5.485 -19.445 1.00 -0.97 N ATOM 0 H ARG A 33 2.272 0.520 -14.891 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.389 -1.569 -14.851 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.324 -1.271 -15.536 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.679 -2.892 -15.371 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.615 -0.749 -17.271 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.605 -2.119 -17.733 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.475 -3.245 -16.241 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.283 -2.003 -17.218 1.00 0.33 H new ATOM 0 HE ARG A 33 1.218 -3.310 -19.092 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.111 -4.388 -16.636 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.545 -5.852 -17.526 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.691 -5.255 -20.180 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.535 -6.336 -19.511 1.00 -0.97 H new ATOM 562 N LEU A 34 2.712 -1.724 -12.491 1.00 -0.73 N ATOM 563 CA LEU A 34 3.013 -2.325 -11.201 1.00 0.36 C ATOM 564 C LEU A 34 1.903 -1.993 -10.208 1.00 0.57 C ATOM 565 O LEU A 34 1.596 -2.844 -9.381 1.00 -0.57 O ATOM 566 CB LEU A 34 4.456 -2.011 -10.728 1.00 0.00 C ATOM 567 CG LEU A 34 4.684 -1.310 -9.370 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.191 -1.340 -9.058 1.00 0.00 C ATOM 569 CD2 LEU A 34 4.263 0.151 -9.266 1.00 0.00 C ATOM 0 H LEU A 34 3.372 -0.999 -12.771 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.018 -3.411 -11.291 1.00 0.36 H new ATOM 0 HB2 LEU A 34 5.002 -2.954 -10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.922 -1.393 -11.495 1.00 0.00 H new ATOM 0 HG LEU A 34 4.051 -1.864 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.374 -0.850 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.531 -2.374 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.736 -0.818 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.477 0.521 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.816 0.742 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.194 0.237 -9.464 1.00 0.00 H new ATOM 581 N VAL A 35 1.252 -0.825 -10.327 1.00 -0.73 N ATOM 582 CA VAL A 35 0.095 -0.460 -9.520 1.00 0.36 C ATOM 583 C VAL A 35 -1.039 -1.413 -9.871 1.00 0.57 C ATOM 584 O VAL A 35 -1.593 -2.033 -8.970 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.253 1.037 -9.727 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.740 1.402 -9.671 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.489 1.873 -8.672 1.00 0.00 C ATOM 0 H VAL A 35 1.524 -0.105 -10.996 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.299 -0.563 -8.454 1.00 0.36 H new ATOM 0 HB VAL A 35 0.061 1.255 -10.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.858 2.474 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.277 0.859 -10.449 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.144 1.133 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.250 2.928 -8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.180 1.558 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.564 1.727 -8.782 1.00 0.00 H new ATOM 597 N SER A 36 -1.338 -1.588 -11.164 1.00 -0.73 N ATOM 598 CA SER A 36 -2.385 -2.497 -11.600 1.00 0.36 C ATOM 599 C SER A 36 -2.055 -3.940 -11.201 1.00 0.57 C ATOM 600 O SER A 36 -2.957 -4.640 -10.763 1.00 -0.57 O ATOM 601 CB SER A 36 -2.614 -2.345 -13.112 1.00 0.28 C ATOM 602 OG SER A 36 -3.985 -2.405 -13.451 1.00 -0.68 O ATOM 0 H SER A 36 -0.861 -1.105 -11.925 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.318 -2.240 -11.098 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.199 -1.394 -13.447 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.076 -3.132 -13.641 1.00 0.28 H new ATOM 0 HG SER A 36 -4.087 -2.303 -14.420 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.795 -4.396 -11.277 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.397 -5.745 -10.847 1.00 0.36 C ATOM 610 C LYS A 37 -0.527 -5.901 -9.325 1.00 0.57 C ATOM 611 O LYS A 37 -1.134 -6.871 -8.872 1.00 -0.57 O ATOM 612 CB LYS A 37 1.024 -6.082 -11.350 1.00 0.00 C ATOM 613 CG LYS A 37 0.990 -6.513 -12.829 1.00 0.00 C ATOM 614 CD LYS A 37 2.363 -6.801 -13.463 1.00 0.00 C ATOM 615 CE LYS A 37 2.843 -8.246 -13.238 1.00 0.50 C ATOM 616 NZ LYS A 37 3.432 -8.832 -14.464 1.00 -0.85 N ATOM 0 H LYS A 37 -0.022 -3.838 -11.639 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.079 -6.466 -11.298 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.672 -5.213 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.450 -6.881 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.374 -7.408 -12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.498 -5.730 -13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.310 -6.605 -14.534 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.099 -6.112 -13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.582 -8.262 -12.437 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.004 -8.860 -12.910 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.742 -9.805 -14.269 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 2.719 -8.841 -15.221 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 4.249 -8.262 -14.764 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.017 -4.947 -8.542 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.100 -4.954 -7.083 1.00 0.36 C ATOM 632 C ALA A 38 -1.553 -4.901 -6.597 1.00 0.57 C ATOM 633 O ALA A 38 -1.955 -5.678 -5.728 1.00 -0.57 O ATOM 634 CB ALA A 38 0.667 -3.740 -6.549 1.00 0.00 C ATOM 0 H ALA A 38 0.474 -4.134 -8.913 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.335 -5.882 -6.712 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.616 -3.728 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.709 -3.801 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.222 -2.826 -6.943 1.00 0.00 H new ATOM 640 N LEU A 39 -2.355 -3.997 -7.166 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.769 -3.883 -6.828 1.00 0.36 C ATOM 642 C LEU A 39 -4.560 -5.062 -7.372 1.00 0.57 C ATOM 643 O LEU A 39 -5.518 -5.467 -6.722 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.372 -2.575 -7.355 1.00 0.00 C ATOM 645 CG LEU A 39 -4.049 -1.370 -6.460 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.458 -0.078 -7.170 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.781 -1.449 -5.107 1.00 0.00 C ATOM 0 H LEU A 39 -2.041 -3.329 -7.870 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.835 -3.882 -5.740 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -3.997 -2.386 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.454 -2.684 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.976 -1.379 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.228 0.776 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.910 0.011 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.528 -0.099 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.525 -0.578 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.858 -1.470 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.479 -2.355 -4.582 1.00 0.00 H new ATOM 659 N ASN A 40 -4.170 -5.641 -8.513 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.743 -6.892 -8.992 1.00 0.36 C ATOM 661 C ASN A 40 -4.506 -7.981 -7.956 1.00 0.57 C ATOM 662 O ASN A 40 -5.440 -8.695 -7.638 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.162 -7.284 -10.359 1.00 0.06 C ATOM 664 CG ASN A 40 -4.539 -8.690 -10.801 1.00 0.57 C ATOM 665 OD1 ASN A 40 -5.700 -9.074 -10.782 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -3.560 -9.466 -11.250 1.00 -0.80 N ATOM 0 H ASN A 40 -3.451 -5.253 -9.124 1.00 -0.73 H new ATOM 0 HA ASN A 40 -5.816 -6.762 -9.131 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.507 -6.572 -11.109 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.076 -7.204 -10.319 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -3.768 -10.405 -11.589 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -2.599 -9.123 -11.256 1.00 -0.80 H new ATOM 673 N MET A 41 -3.308 -8.086 -7.372 1.00 -0.73 N ATOM 674 CA MET A 41 -3.038 -9.052 -6.311 1.00 0.36 C ATOM 675 C MET A 41 -3.932 -8.848 -5.075 1.00 0.57 C ATOM 676 O MET A 41 -4.362 -9.841 -4.493 1.00 -0.57 O ATOM 677 CB MET A 41 -1.535 -9.035 -5.988 1.00 0.00 C ATOM 678 CG MET A 41 -0.770 -9.951 -6.955 1.00 0.23 C ATOM 679 SD MET A 41 0.709 -9.211 -7.695 1.00 -0.46 S ATOM 680 CE MET A 41 1.922 -9.615 -6.427 1.00 0.23 C ATOM 0 H MET A 41 -2.506 -7.507 -7.621 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.300 -10.049 -6.666 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.152 -8.017 -6.061 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.373 -9.363 -4.961 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.478 -10.856 -6.422 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.445 -10.256 -7.755 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.735 -8.889 -6.457 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.446 -9.587 -5.447 1.00 0.23 H new ATOM 0 HE3 MET A 41 2.320 -10.613 -6.609 1.00 0.23 H new ATOM 690 N TRP A 42 -4.279 -7.605 -4.711 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.292 -7.340 -3.680 1.00 0.36 C ATOM 692 C TRP A 42 -6.711 -7.698 -4.170 1.00 0.57 C ATOM 693 O TRP A 42 -7.452 -8.417 -3.494 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.188 -5.869 -3.224 1.00 0.18 C ATOM 695 CG TRP A 42 -4.298 -5.660 -2.035 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.959 -5.832 -2.008 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.683 -5.352 -0.658 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.499 -5.711 -0.711 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.531 -5.473 0.170 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.898 -5.034 -0.015 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.606 -5.373 1.568 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.980 -4.927 1.389 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.840 -5.130 2.179 1.00 -0.15 C ATOM 0 H TRP A 42 -3.870 -6.764 -5.118 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.099 -7.982 -2.821 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.816 -5.268 -4.054 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.186 -5.502 -2.987 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.341 -6.034 -2.870 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.519 -5.788 -0.440 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.784 -4.869 -0.610 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.715 -5.483 2.169 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.924 -4.688 1.857 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.915 -5.099 3.256 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.084 -7.250 -5.371 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.388 -7.488 -5.990 1.00 0.36 C ATOM 716 C GLY A 43 -8.604 -8.943 -6.433 1.00 0.57 C ATOM 717 O GLY A 43 -9.717 -9.333 -6.787 1.00 -0.57 O ATOM 0 H GLY A 43 -6.464 -6.692 -5.959 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.171 -7.212 -5.284 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.494 -6.834 -6.856 1.00 0.36 H new ATOM 721 N LYS A 44 -7.555 -9.769 -6.394 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.631 -11.209 -6.587 1.00 0.36 C ATOM 723 C LYS A 44 -8.406 -11.865 -5.437 1.00 0.57 C ATOM 724 O LYS A 44 -8.911 -12.973 -5.614 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.208 -11.790 -6.719 1.00 0.00 C ATOM 726 CG LYS A 44 -6.198 -13.120 -7.487 1.00 0.00 C ATOM 727 CD LYS A 44 -4.830 -13.819 -7.426 1.00 0.00 C ATOM 728 CE LYS A 44 -4.954 -15.179 -8.130 1.00 0.50 C ATOM 729 NZ LYS A 44 -3.668 -15.907 -8.261 1.00 -0.85 N ATOM 0 H LYS A 44 -6.605 -9.439 -6.222 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.174 -11.423 -7.508 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.569 -11.071 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.785 -11.942 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.960 -13.781 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.464 -12.938 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.069 -13.208 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.518 -13.954 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.658 -15.801 -7.577 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.377 -15.026 -9.123 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.830 -16.813 -8.745 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -2.999 -15.334 -8.814 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -3.272 -16.085 -7.316 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.532 -11.195 -4.282 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.286 -11.722 -3.149 1.00 0.36 C ATOM 745 C GLU A 45 -10.574 -10.940 -2.882 1.00 0.57 C ATOM 746 O GLU A 45 -11.484 -11.507 -2.279 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.414 -11.753 -1.895 1.00 0.00 C ATOM 748 CG GLU A 45 -7.263 -12.769 -1.983 1.00 0.06 C ATOM 749 CD GLU A 45 -6.994 -13.449 -0.633 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.401 -14.587 -0.463 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.338 -12.715 0.261 1.00 -0.65 O ATOM 0 H GLU A 45 -8.115 -10.279 -4.113 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.579 -12.739 -3.410 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.001 -10.759 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.037 -11.993 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.504 -13.526 -2.729 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.358 -12.264 -2.322 1.00 0.06 H new ATOM 759 N ILE A 46 -10.693 -9.693 -3.360 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.916 -8.900 -3.232 1.00 0.36 C ATOM 761 C ILE A 46 -12.350 -8.361 -4.598 1.00 0.57 C ATOM 762 O ILE A 46 -11.541 -7.721 -5.266 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.771 -7.758 -2.198 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.500 -6.887 -2.344 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.872 -8.387 -0.809 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.463 -5.704 -1.367 1.00 0.00 C ATOM 0 H ILE A 46 -9.939 -9.208 -3.847 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.696 -9.562 -2.856 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.575 -7.044 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.620 -7.510 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.442 -6.509 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.774 -7.611 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.839 -8.879 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.075 -9.120 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.547 -5.134 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.325 -5.060 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.491 -6.077 -0.343 1.00 0.00 H new ATOM 778 N PRO A 47 -13.625 -8.532 -5.010 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.157 -8.030 -6.281 1.00 0.36 C ATOM 780 C PRO A 47 -14.370 -6.499 -6.267 1.00 0.57 C ATOM 781 O PRO A 47 -15.392 -5.978 -6.716 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.429 -8.855 -6.525 1.00 0.00 C ATOM 783 CG PRO A 47 -15.921 -9.228 -5.127 1.00 0.00 C ATOM 784 CD PRO A 47 -14.649 -9.276 -4.284 1.00 0.30 C ATOM 0 HA PRO A 47 -13.460 -8.158 -7.109 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.178 -8.278 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.217 -9.743 -7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.626 -8.491 -4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.434 -10.189 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.821 -8.836 -3.302 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.334 -10.307 -4.121 1.00 0.30 H new ATOM 792 N LEU A 48 -13.417 -5.768 -5.687 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.404 -4.321 -5.554 1.00 0.36 C ATOM 794 C LEU A 48 -12.711 -3.737 -6.787 1.00 0.57 C ATOM 795 O LEU A 48 -11.820 -4.370 -7.353 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.666 -3.981 -4.247 1.00 0.00 C ATOM 797 CG LEU A 48 -13.224 -2.737 -3.532 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.945 -2.866 -2.035 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.586 -1.436 -4.017 1.00 0.00 C ATOM 0 H LEU A 48 -12.589 -6.200 -5.276 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.406 -3.894 -5.502 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.726 -4.835 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.610 -3.821 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.291 -2.692 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.335 -1.991 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.431 -3.763 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.870 -2.936 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.020 -0.595 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.512 -1.468 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.771 -1.316 -5.084 1.00 0.00 H new ATOM 811 N HIS A 49 -13.136 -2.548 -7.210 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.687 -1.927 -8.452 1.00 0.36 C ATOM 813 C HIS A 49 -12.082 -0.551 -8.140 1.00 0.57 C ATOM 814 O HIS A 49 -12.255 -0.019 -7.043 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.879 -1.855 -9.427 1.00 0.17 C ATOM 816 CG HIS A 49 -14.420 -3.202 -9.882 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.924 -4.219 -9.092 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.531 -3.633 -11.179 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.295 -5.228 -9.894 1.00 0.65 C ATOM 820 NE2 HIS A 49 -15.096 -4.917 -11.183 1.00 -0.70 N ATOM 0 H HIS A 49 -13.810 -1.983 -6.693 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.905 -2.516 -8.932 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.686 -1.299 -8.950 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.576 -1.286 -10.306 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.000 -4.204 -8.075 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -14.232 -3.075 -12.054 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.701 -6.167 -9.547 1.00 0.65 H new ATOM 829 N PHE A 50 -11.368 0.053 -9.096 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.680 1.316 -8.858 1.00 0.36 C ATOM 831 C PHE A 50 -10.785 2.192 -10.098 1.00 0.57 C ATOM 832 O PHE A 50 -10.782 1.684 -11.223 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.202 1.104 -8.469 1.00 0.14 C ATOM 834 CG PHE A 50 -8.898 -0.186 -7.727 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.120 -0.287 -6.340 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.448 -1.310 -8.445 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.902 -1.510 -5.683 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.233 -2.533 -7.787 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.461 -2.635 -6.405 1.00 -0.15 C ATOM 0 H PHE A 50 -11.255 -0.316 -10.040 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.163 1.812 -8.016 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.598 1.131 -9.376 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.884 1.942 -7.849 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.457 0.574 -5.782 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.267 -1.232 -9.507 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.074 -1.587 -4.620 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.893 -3.394 -8.344 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.298 -3.574 -5.897 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.813 3.509 -9.883 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.937 4.503 -10.947 1.00 0.36 C ATOM 851 C ARG A 51 -9.836 5.548 -10.789 1.00 0.57 C ATOM 852 O ARG A 51 -9.227 5.662 -9.725 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.353 5.121 -10.901 1.00 0.00 C ATOM 854 CG ARG A 51 -12.896 5.534 -12.284 1.00 0.00 C ATOM 855 CD ARG A 51 -13.108 7.050 -12.442 1.00 0.33 C ATOM 856 NE ARG A 51 -13.716 7.397 -13.745 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.000 7.224 -14.115 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.891 6.744 -13.257 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.411 7.535 -15.347 1.00 -0.97 N ATOM 0 H ARG A 51 -10.749 3.919 -8.951 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.812 4.043 -11.927 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -13.039 4.403 -10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.337 5.996 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.203 5.192 -13.053 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.843 5.024 -12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.748 7.411 -11.637 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -12.151 7.561 -12.342 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.095 7.813 -14.439 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.606 6.502 -12.308 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.861 6.617 -13.547 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -14.749 7.910 -16.026 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.387 7.397 -15.609 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.612 6.348 -11.831 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.598 7.391 -11.831 1.00 0.36 C ATOM 875 C LYS A 52 -9.275 8.662 -12.315 1.00 0.57 C ATOM 876 O LYS A 52 -9.750 8.709 -13.453 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.410 6.971 -12.717 1.00 0.00 C ATOM 878 CG LYS A 52 -6.073 7.400 -12.097 1.00 0.00 C ATOM 879 CD LYS A 52 -4.915 7.247 -13.097 1.00 0.00 C ATOM 880 CE LYS A 52 -4.827 8.489 -13.995 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.013 8.273 -15.215 1.00 -0.85 N ATOM 0 H LYS A 52 -10.136 6.286 -12.704 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.185 7.561 -10.837 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.420 5.890 -12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.515 7.418 -13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.138 8.438 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.872 6.799 -11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.976 7.109 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.067 6.357 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.833 8.790 -14.286 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.401 9.313 -13.423 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.993 9.147 -15.778 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -3.043 8.013 -14.944 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.431 7.507 -15.780 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.379 9.653 -11.430 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.981 10.948 -11.740 1.00 0.36 C ATOM 897 C VAL A 53 -8.906 11.908 -12.258 1.00 0.57 C ATOM 898 O VAL A 53 -7.705 11.721 -12.024 1.00 -0.57 O ATOM 899 CB VAL A 53 -10.729 11.518 -10.511 1.00 0.00 C ATOM 900 CG1 VAL A 53 -11.944 10.642 -10.155 1.00 0.00 C ATOM 901 CG2 VAL A 53 -9.808 11.721 -9.298 1.00 0.00 C ATOM 0 H VAL A 53 -9.045 9.578 -10.469 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.724 10.820 -12.527 1.00 0.36 H new ATOM 0 HB VAL A 53 -11.090 12.508 -10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.454 11.062 -9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.631 10.612 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.608 9.631 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.386 12.123 -8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.371 10.765 -9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.013 12.420 -9.558 1.00 0.00 H new ATOM 911 N VAL A 54 -9.361 12.963 -12.943 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.502 13.956 -13.591 1.00 0.36 C ATOM 913 C VAL A 54 -8.878 15.390 -13.202 1.00 0.57 C ATOM 914 O VAL A 54 -8.096 16.308 -13.443 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.532 13.776 -15.127 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.930 12.431 -15.559 1.00 0.00 C ATOM 917 CG2 VAL A 54 -9.955 13.889 -15.698 1.00 0.00 C ATOM 0 H VAL A 54 -10.356 13.153 -13.064 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.485 13.788 -13.237 1.00 0.36 H new ATOM 0 HB VAL A 54 -7.924 14.587 -15.529 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.971 12.346 -16.645 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.893 12.374 -15.230 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.498 11.617 -15.110 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.925 13.756 -16.779 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.587 13.119 -15.255 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.364 14.872 -15.465 1.00 0.00 H new ATOM 927 N TRP A 55 -10.061 15.602 -12.609 1.00 -0.73 N ATOM 928 CA TRP A 55 -10.524 16.916 -12.174 1.00 0.36 C ATOM 929 C TRP A 55 -9.590 17.506 -11.107 1.00 0.57 C ATOM 930 O TRP A 55 -9.117 18.638 -11.266 1.00 -0.57 O ATOM 931 CB TRP A 55 -11.973 16.781 -11.664 1.00 0.18 C ATOM 932 CG TRP A 55 -12.345 17.651 -10.502 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -12.501 18.994 -10.532 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -12.530 17.262 -9.105 1.00 0.00 C ATOM 935 NE1 TRP A 55 -12.777 19.458 -9.264 1.00 0.03 N ATOM 936 CE2 TRP A 55 -12.787 18.437 -8.337 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.484 16.034 -8.407 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.985 18.399 -6.949 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -12.687 15.982 -7.016 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -12.934 17.160 -6.290 1.00 -0.15 C ATOM 0 H TRP A 55 -10.727 14.853 -12.418 1.00 -0.73 H new ATOM 0 HA TRP A 55 -10.508 17.612 -13.013 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -12.650 17.003 -12.489 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -12.143 15.742 -11.383 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -12.421 19.610 -11.416 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -12.952 20.437 -9.039 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -12.290 15.121 -8.950 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -13.174 19.307 -6.396 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -12.653 15.032 -6.503 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -13.085 17.112 -5.222 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.332 16.727 -10.051 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.608 17.123 -8.855 1.00 0.36 C ATOM 953 C GLY A 56 -8.064 15.879 -8.155 1.00 0.57 C ATOM 954 O GLY A 56 -7.799 14.868 -8.807 1.00 -0.57 O ATOM 0 H GLY A 56 -9.641 15.756 -10.013 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -7.789 17.793 -9.117 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -9.267 17.673 -8.183 1.00 0.36 H new ATOM 958 N THR A 57 -7.881 15.961 -6.832 1.00 -0.73 N ATOM 959 CA THR A 57 -7.466 14.840 -5.984 1.00 0.36 C ATOM 960 C THR A 57 -8.473 13.672 -6.016 1.00 0.57 C ATOM 961 O THR A 57 -9.523 13.736 -6.658 1.00 -0.57 O ATOM 962 CB THR A 57 -7.182 15.342 -4.552 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.402 14.386 -3.859 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.450 15.653 -3.747 1.00 0.00 C ATOM 0 H THR A 57 -8.020 16.827 -6.311 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.540 14.430 -6.388 1.00 0.36 H new ATOM 0 HB THR A 57 -6.641 16.282 -4.654 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.221 14.707 -2.951 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.173 16.000 -2.752 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.023 16.428 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.057 14.751 -3.661 1.00 0.00 H new ATOM 972 N ALA A 58 -8.145 12.605 -5.282 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.852 11.337 -5.266 1.00 0.36 C ATOM 974 C ALA A 58 -8.968 10.809 -3.833 1.00 0.57 C ATOM 975 O ALA A 58 -8.400 11.379 -2.894 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.077 10.359 -6.152 1.00 0.00 C ATOM 0 H ALA A 58 -7.340 12.610 -4.656 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.866 11.459 -5.648 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.585 9.395 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.026 10.751 -7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.068 10.234 -5.760 1.00 0.00 H new ATOM 982 N ASP A 59 -9.679 9.688 -3.673 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.821 9.022 -2.385 1.00 0.36 C ATOM 984 C ASP A 59 -8.455 8.475 -1.948 1.00 0.57 C ATOM 985 O ASP A 59 -8.170 8.496 -0.752 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.855 7.882 -2.437 1.00 0.06 C ATOM 987 CG ASP A 59 -12.301 8.270 -2.768 1.00 0.66 C ATOM 988 OD1 ASP A 59 -13.002 7.418 -3.289 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.764 9.462 -2.402 1.00 -0.65 O ATOM 0 H ASP A 59 -10.170 9.221 -4.436 1.00 -0.73 H new ATOM 0 HA ASP A 59 -10.182 9.753 -1.661 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.521 7.155 -3.177 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.852 7.377 -1.471 1.00 0.06 H new ATOM 995 N ILE A 60 -7.597 8.077 -2.903 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.264 7.498 -2.697 1.00 0.36 C ATOM 997 C ILE A 60 -5.236 8.336 -3.497 1.00 0.57 C ATOM 998 O ILE A 60 -4.828 7.986 -4.607 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.254 6.000 -3.106 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.368 5.115 -2.502 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.895 5.352 -2.776 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.703 3.947 -3.443 1.00 0.00 C ATOM 0 H ILE A 60 -7.831 8.156 -3.893 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.991 7.531 -1.642 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.445 6.035 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.048 4.729 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.261 5.715 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.911 4.303 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.104 5.870 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.708 5.425 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.489 3.336 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.045 4.338 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.813 3.337 -3.597 1.00 0.00 H new ATOM 1014 N MET A 61 -4.846 9.485 -2.952 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.715 10.295 -3.376 1.00 0.36 C ATOM 1016 C MET A 61 -2.430 9.579 -2.957 1.00 0.57 C ATOM 1017 O MET A 61 -2.172 9.358 -1.775 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.838 11.701 -2.755 1.00 0.00 C ATOM 1019 CG MET A 61 -2.674 12.643 -3.075 1.00 0.23 C ATOM 1020 SD MET A 61 -1.363 12.717 -1.816 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.693 14.350 -1.092 1.00 0.23 C ATOM 0 H MET A 61 -5.340 9.896 -2.160 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.696 10.422 -4.458 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.764 12.158 -3.103 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.920 11.600 -1.673 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.229 12.335 -4.021 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.071 13.647 -3.221 1.00 0.23 H new ATOM 0 HE1 MET A 61 -0.972 14.549 -0.299 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.605 15.115 -1.864 1.00 0.23 H new ATOM 0 HE3 MET A 61 -2.701 14.367 -0.678 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.619 9.212 -3.943 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.331 8.572 -3.757 1.00 0.36 C ATOM 1033 C ILE A 62 0.699 9.633 -4.138 1.00 0.57 C ATOM 1034 O ILE A 62 0.634 10.172 -5.247 1.00 -0.57 O ATOM 1035 CB ILE A 62 -0.278 7.296 -4.623 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -1.322 6.254 -4.158 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.102 6.642 -4.591 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -2.008 5.610 -5.360 1.00 0.00 C ATOM 0 H ILE A 62 -1.852 9.359 -4.925 1.00 -0.73 H new ATOM 0 HA ILE A 62 -0.137 8.237 -2.738 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.502 7.613 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.835 5.487 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.065 6.734 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.095 5.747 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.846 7.343 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.351 6.369 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.739 4.880 -5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.512 6.378 -5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.263 5.111 -5.980 1.00 0.00 H new ATOM 1050 N GLY A 63 1.615 9.975 -3.231 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.561 11.056 -3.477 1.00 0.36 C ATOM 1052 C GLY A 63 3.919 10.771 -2.871 1.00 0.57 C ATOM 1053 O GLY A 63 4.027 10.317 -1.737 1.00 -0.57 O ATOM 0 H GLY A 63 1.719 9.519 -2.324 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.668 11.207 -4.551 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.167 11.984 -3.063 1.00 0.36 H new ATOM 1057 N PHE A 64 4.982 11.090 -3.597 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.340 10.819 -3.157 1.00 0.36 C ATOM 1059 C PHE A 64 7.006 12.154 -2.839 1.00 0.57 C ATOM 1060 O PHE A 64 6.673 13.179 -3.448 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.062 9.946 -4.198 1.00 0.14 C ATOM 1062 CG PHE A 64 6.208 8.830 -4.790 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.320 8.091 -3.988 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.234 8.587 -6.170 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.432 7.173 -4.565 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 5.325 7.686 -6.756 1.00 -0.15 C ATOM 1067 CZ PHE A 64 4.390 7.020 -5.955 1.00 -0.15 C ATOM 0 H PHE A 64 4.925 11.544 -4.508 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.374 10.231 -2.240 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.414 10.585 -5.008 1.00 0.14 H new ATOM 0 HB3 PHE A 64 7.944 9.504 -3.734 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.322 8.232 -2.917 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 6.958 9.096 -6.789 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.780 6.584 -3.937 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 5.349 7.509 -7.821 1.00 -0.15 H new ATOM 0 HZ PHE A 64 3.639 6.390 -6.408 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.879 12.155 -1.832 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.592 13.331 -1.355 1.00 0.36 C ATOM 1079 C ALA A 65 10.065 12.976 -1.221 1.00 0.57 C ATOM 1080 O ALA A 65 10.392 11.824 -0.956 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.036 13.750 0.010 1.00 0.00 C ATOM 0 H ALA A 65 8.114 11.309 -1.312 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.468 14.157 -2.055 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.571 14.631 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.976 13.983 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.166 12.935 0.722 1.00 0.00 H new ATOM 1087 N ARG A 66 10.960 13.951 -1.365 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.391 13.691 -1.370 1.00 0.36 C ATOM 1089 C ARG A 66 13.019 14.260 -0.102 1.00 0.57 C ATOM 1090 O ARG A 66 13.706 15.279 -0.132 1.00 -0.57 O ATOM 1091 CB ARG A 66 12.984 14.187 -2.690 1.00 0.00 C ATOM 1092 CG ARG A 66 14.467 13.826 -2.795 1.00 0.00 C ATOM 1093 CD ARG A 66 14.927 13.925 -4.244 1.00 0.33 C ATOM 1094 NE ARG A 66 16.377 14.133 -4.295 1.00 -0.84 N ATOM 1095 CZ ARG A 66 17.196 13.778 -5.287 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.741 13.108 -6.348 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 18.476 14.133 -5.201 1.00 -0.97 N ATOM 0 H ARG A 66 10.713 14.934 -1.480 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.615 12.625 -1.336 1.00 0.36 H new ATOM 0 HB2 ARG A 66 12.439 13.747 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.863 15.268 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.058 14.496 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.631 12.815 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.663 13.014 -4.781 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.415 14.749 -4.742 1.00 0.33 H new ATOM 0 HE ARG A 66 16.803 14.595 -3.492 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 15.754 12.860 -6.409 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 17.381 12.844 -7.097 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 18.806 14.661 -4.393 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 19.127 13.877 -5.943 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.724 13.613 1.027 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.313 13.939 2.315 1.00 0.36 C ATOM 1113 C GLY A 67 12.238 14.350 3.296 1.00 0.57 C ATOM 1114 O GLY A 67 12.132 13.759 4.357 1.00 -0.57 O ATOM 0 H GLY A 67 12.060 12.839 1.067 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.857 13.078 2.702 1.00 0.36 H new ATOM 0 HA3 GLY A 67 14.036 14.747 2.198 1.00 0.36 H new ATOM 1118 N ALA A 68 11.408 15.331 2.931 1.00 -0.73 N ATOM 1119 CA ALA A 68 10.322 15.827 3.761 1.00 0.36 C ATOM 1120 C ALA A 68 9.251 16.460 2.869 1.00 0.57 C ATOM 1121 O ALA A 68 9.452 16.604 1.660 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.879 16.825 4.785 1.00 0.00 C ATOM 0 H ALA A 68 11.479 15.808 2.032 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.858 15.009 4.311 1.00 0.36 H new ATOM 0 HB1 ALA A 68 10.067 17.198 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.619 16.328 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.348 17.659 4.263 1.00 0.00 H new ATOM 1128 N HIS A 69 8.112 16.804 3.483 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.905 17.318 2.845 1.00 0.36 C ATOM 1130 C HIS A 69 6.022 17.956 3.918 1.00 0.57 C ATOM 1131 O HIS A 69 6.158 17.629 5.101 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.139 16.203 2.104 1.00 0.17 C ATOM 1133 CG HIS A 69 5.782 14.945 2.876 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.337 14.487 4.049 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.861 14.008 2.496 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.770 13.313 4.360 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.859 12.972 3.436 1.00 -0.70 N ATOM 0 H HIS A 69 8.008 16.725 4.495 1.00 -0.73 H new ATOM 0 HA HIS A 69 7.184 18.063 2.100 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.214 16.633 1.720 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.735 15.906 1.241 1.00 0.17 H new ATOM 0 HD2 HIS A 69 4.238 14.059 1.615 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.012 12.724 5.232 1.00 0.65 H new ATOM 0 HE2 HIS A 69 4.283 12.130 3.422 1.00 -0.70 H new ATOM 1146 N GLY A 70 5.104 18.833 3.496 1.00 -0.73 N ATOM 1147 CA GLY A 70 4.212 19.598 4.364 1.00 0.36 C ATOM 1148 C GLY A 70 2.865 18.903 4.546 1.00 0.57 C ATOM 1149 O GLY A 70 1.823 19.540 4.416 1.00 -0.57 O ATOM 0 H GLY A 70 4.960 19.034 2.506 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.683 19.738 5.337 1.00 0.36 H new ATOM 0 HA3 GLY A 70 4.055 20.590 3.940 1.00 0.36 H new ATOM 1153 N ASP A 71 2.901 17.595 4.815 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.735 16.726 4.877 1.00 0.36 C ATOM 1155 C ASP A 71 1.832 15.921 6.167 1.00 0.57 C ATOM 1156 O ASP A 71 2.666 15.023 6.260 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.719 15.817 3.647 1.00 0.06 C ATOM 1158 CG ASP A 71 0.666 14.719 3.767 1.00 0.66 C ATOM 1159 OD1 ASP A 71 -0.403 14.910 3.211 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.031 13.564 4.317 1.00 -0.65 O ATOM 0 H ASP A 71 3.774 17.101 5.001 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.807 17.297 4.877 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.522 16.414 2.757 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.702 15.365 3.516 1.00 0.06 H new ATOM 1166 N SER A 72 1.004 16.285 7.158 1.00 -0.73 N ATOM 1167 CA SER A 72 0.960 15.742 8.516 1.00 0.36 C ATOM 1168 C SER A 72 2.310 15.837 9.246 1.00 0.57 C ATOM 1169 O SER A 72 2.458 16.668 10.144 1.00 -0.57 O ATOM 1170 CB SER A 72 0.406 14.304 8.487 1.00 0.28 C ATOM 1171 OG SER A 72 -1.009 14.271 8.414 1.00 -0.68 O ATOM 0 H SER A 72 0.304 17.014 7.019 1.00 -0.73 H new ATOM 0 HA SER A 72 0.280 16.362 9.101 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.824 13.774 7.631 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.733 13.773 9.381 1.00 0.28 H new ATOM 0 HG SER A 72 -1.314 13.340 8.396 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.290 15.021 8.844 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.587 14.858 9.475 1.00 0.36 C ATOM 1179 C TYR A 73 5.642 14.766 8.367 1.00 0.57 C ATOM 1180 O TYR A 73 5.478 13.973 7.437 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.604 13.576 10.322 1.00 0.14 C ATOM 1182 CG TYR A 73 3.618 13.598 11.472 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.892 14.384 12.606 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 2.410 12.880 11.387 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.957 14.469 13.650 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 1.460 12.970 12.420 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.730 13.772 13.555 1.00 0.08 C ATOM 1188 OH TYR A 73 0.808 13.876 14.552 1.00 -0.53 O ATOM 0 H TYR A 73 3.185 14.426 8.022 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.797 15.703 10.130 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.383 12.723 9.680 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.608 13.425 10.718 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.825 14.924 12.674 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.212 12.258 10.526 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 3.174 15.065 14.524 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 0.528 12.429 12.348 1.00 -0.15 H new ATOM 0 HH TYR A 73 0.022 13.335 14.328 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.732 15.548 8.444 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.812 15.441 7.482 1.00 0.36 C ATOM 1200 C PRO A 74 8.528 14.092 7.650 1.00 0.57 C ATOM 1201 O PRO A 74 8.777 13.651 8.775 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.712 16.649 7.742 1.00 0.00 C ATOM 1203 CG PRO A 74 8.420 17.081 9.179 1.00 0.00 C ATOM 1204 CD PRO A 74 7.036 16.515 9.489 1.00 0.30 C ATOM 0 HA PRO A 74 7.471 15.456 6.447 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.763 16.388 7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.498 17.455 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.169 16.691 9.868 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.433 18.167 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.024 16.040 10.470 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.290 17.309 9.510 1.00 0.30 H new ATOM 1212 N PHE A 75 8.849 13.453 6.517 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.708 12.274 6.435 1.00 0.36 C ATOM 1214 C PHE A 75 11.162 12.613 6.834 1.00 0.57 C ATOM 1215 O PHE A 75 11.474 13.722 7.278 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.634 11.699 4.997 1.00 0.14 C ATOM 1217 CG PHE A 75 8.492 10.750 4.683 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.224 9.640 5.512 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.777 10.903 3.481 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.211 8.728 5.166 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 6.767 9.995 3.136 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.472 8.919 3.985 1.00 -0.15 C ATOM 0 H PHE A 75 8.505 13.756 5.606 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.357 11.520 7.140 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.577 12.537 4.302 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.570 11.179 4.793 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.798 9.490 6.414 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.008 11.725 2.820 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.001 7.883 5.805 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.216 10.124 2.216 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.675 8.235 3.731 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.042 11.622 6.663 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.486 11.648 6.889 1.00 0.36 C ATOM 1234 C ASP A 76 14.282 11.589 5.560 1.00 0.57 C ATOM 1235 O ASP A 76 15.363 12.189 5.463 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.795 10.379 7.711 1.00 0.06 C ATOM 1237 CG ASP A 76 13.332 9.127 6.960 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.137 8.884 6.965 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.232 8.407 6.296 1.00 -0.65 O ATOM 0 H ASP A 76 11.735 10.706 6.336 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.774 12.571 7.393 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.865 10.317 7.907 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.296 10.435 8.679 1.00 0.06 H new ATOM 1245 N GLY A 77 13.794 10.885 4.522 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.543 10.671 3.284 1.00 0.36 C ATOM 1247 C GLY A 77 15.218 9.296 3.253 1.00 0.57 C ATOM 1248 O GLY A 77 14.517 8.295 3.327 1.00 -0.57 O ATOM 0 H GLY A 77 12.870 10.452 4.524 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 13.870 10.764 2.432 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.299 11.449 3.179 1.00 0.36 H new ATOM 1252 N PRO A 78 16.546 9.184 3.072 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.218 7.893 2.957 1.00 0.36 C ATOM 1254 C PRO A 78 17.384 7.196 4.321 1.00 0.57 C ATOM 1255 O PRO A 78 18.354 7.467 5.032 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.541 8.187 2.239 1.00 0.00 C ATOM 1257 CG PRO A 78 18.837 9.656 2.551 1.00 0.00 C ATOM 1258 CD PRO A 78 17.479 10.280 2.872 1.00 0.30 C ATOM 0 HA PRO A 78 16.630 7.175 2.386 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.339 7.538 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.454 8.020 1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.522 9.749 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.307 10.152 1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.541 10.902 3.765 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.148 10.925 2.058 1.00 0.30 H new ATOM 1266 N GLY A 79 16.463 6.288 4.686 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.566 5.455 5.886 1.00 0.36 C ATOM 1268 C GLY A 79 15.224 5.317 6.613 1.00 0.57 C ATOM 1269 O GLY A 79 14.177 5.585 6.032 1.00 -0.57 O ATOM 0 H GLY A 79 15.616 6.113 4.145 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 16.930 4.466 5.609 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.302 5.887 6.564 1.00 0.36 H new ATOM 1273 N ASN A 80 15.265 4.936 7.898 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.127 4.963 8.830 1.00 0.36 C ATOM 1275 C ASN A 80 12.818 4.431 8.198 1.00 0.57 C ATOM 1276 O ASN A 80 12.808 3.319 7.665 1.00 -0.57 O ATOM 1277 CB ASN A 80 13.983 6.379 9.441 1.00 0.06 C ATOM 1278 CG ASN A 80 15.266 6.982 10.017 1.00 0.57 C ATOM 1279 OD1 ASN A 80 15.531 8.248 9.719 1.00 -0.57 O flip ATOM 1280 ND2 ASN A 80 16.020 6.333 10.736 1.00 -0.80 N flip ATOM 0 H ASN A 80 16.120 4.589 8.332 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.335 4.269 9.644 1.00 0.36 H new ATOM 0 HB2 ASN A 80 13.600 7.050 8.672 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.234 6.340 10.232 1.00 0.06 H new ATOM 0 HD21 ASN A 80 15.803 5.361 10.956 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 16.863 6.766 11.113 1.00 -0.80 H new ATOM 1287 N THR A 81 11.717 5.188 8.323 1.00 -0.73 N ATOM 1288 CA THR A 81 10.421 5.019 7.666 1.00 0.36 C ATOM 1289 C THR A 81 10.576 5.301 6.163 1.00 0.57 C ATOM 1290 O THR A 81 11.084 6.348 5.791 1.00 -0.57 O ATOM 1291 CB THR A 81 9.446 6.042 8.299 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.612 6.080 9.707 1.00 -0.68 O ATOM 1293 CG2 THR A 81 7.973 5.735 8.010 1.00 0.00 C ATOM 0 H THR A 81 11.715 6.001 8.939 1.00 -0.73 H new ATOM 0 HA THR A 81 10.043 4.004 7.793 1.00 0.36 H new ATOM 0 HB THR A 81 9.693 7.001 7.844 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.990 6.732 10.092 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.345 6.490 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.804 5.744 6.933 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.721 4.752 8.409 1.00 0.00 H new ATOM 1301 N LEU A 82 10.113 4.410 5.287 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.266 4.500 3.835 1.00 0.36 C ATOM 1303 C LEU A 82 9.011 5.061 3.158 1.00 0.57 C ATOM 1304 O LEU A 82 9.096 5.696 2.105 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.562 3.105 3.255 1.00 0.00 C ATOM 1306 CG LEU A 82 11.896 2.481 3.721 1.00 0.00 C ATOM 1307 CD1 LEU A 82 11.857 1.698 5.037 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.384 1.510 2.650 1.00 0.00 C ATOM 0 H LEU A 82 9.603 3.576 5.579 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.094 5.181 3.638 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.748 2.433 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.569 3.173 2.167 1.00 0.00 H new ATOM 0 HG LEU A 82 12.551 3.336 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.851 1.309 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.538 2.358 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.155 0.869 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.326 1.062 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.641 0.726 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.535 2.047 1.713 1.00 0.00 H new ATOM 1320 N ALA A 83 7.843 4.805 3.752 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.555 5.262 3.275 1.00 0.36 C ATOM 1322 C ALA A 83 5.573 5.248 4.450 1.00 0.57 C ATOM 1323 O ALA A 83 5.849 4.630 5.476 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.101 4.367 2.111 1.00 0.00 C ATOM 0 H ALA A 83 7.776 4.254 4.608 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.608 6.282 2.893 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.131 4.707 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.831 4.422 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.019 3.336 2.455 1.00 0.00 H new ATOM 1330 N HIS A 84 4.444 5.940 4.326 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.363 5.907 5.300 1.00 0.36 C ATOM 1332 C HIS A 84 2.034 6.013 4.557 1.00 0.57 C ATOM 1333 O HIS A 84 1.989 6.504 3.429 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.548 7.005 6.370 1.00 0.17 C ATOM 1335 CG HIS A 84 3.402 8.454 5.941 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.299 9.471 6.199 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.298 9.049 5.388 1.00 0.20 C ATOM 1338 CE1 HIS A 84 3.758 10.630 5.790 1.00 0.65 C ATOM 1339 NE2 HIS A 84 2.540 10.422 5.278 1.00 -0.70 N ATOM 0 H HIS A 84 4.254 6.550 3.531 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.373 4.963 5.844 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.828 6.819 7.167 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.541 6.884 6.804 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.218 9.361 6.628 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 1.393 8.542 5.088 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.239 11.594 5.864 1.00 0.65 H new ATOM 1348 N ALA A 85 0.932 5.629 5.206 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.403 5.775 4.652 1.00 0.36 C ATOM 1350 C ALA A 85 -1.415 5.912 5.783 1.00 0.57 C ATOM 1351 O ALA A 85 -1.155 5.512 6.927 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.735 4.566 3.771 1.00 0.00 C ATOM 0 H ALA A 85 0.948 5.207 6.134 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.446 6.673 4.036 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.737 4.681 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.013 4.500 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.691 3.656 4.370 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.582 6.458 5.445 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.613 6.801 6.417 1.00 0.36 C ATOM 1360 C PHE A 86 -4.843 5.925 6.190 1.00 0.57 C ATOM 1361 O PHE A 86 -5.097 5.488 5.070 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.949 8.292 6.308 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.754 9.196 6.058 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.744 9.357 7.028 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.636 9.847 4.820 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.649 10.202 6.767 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.556 10.703 4.567 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.569 10.894 5.546 1.00 -0.15 C ATOM 0 H PHE A 86 -2.838 6.675 4.482 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.251 6.614 7.428 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.667 8.430 5.500 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.440 8.608 7.228 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.810 8.833 7.970 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.383 9.687 4.057 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.130 10.319 7.505 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.483 11.215 3.619 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.251 11.572 5.362 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.619 5.685 7.252 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.845 4.891 7.179 1.00 0.36 C ATOM 1380 C ALA A 87 -7.837 5.541 6.208 1.00 0.57 C ATOM 1381 O ALA A 87 -7.865 6.768 6.141 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.463 4.807 8.575 1.00 0.00 C ATOM 0 H ALA A 87 -5.412 6.037 8.187 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.611 3.890 6.817 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.378 4.217 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.757 4.334 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.695 5.811 8.931 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.659 4.769 5.474 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.565 5.323 4.478 1.00 0.36 C ATOM 1390 C PRO A 88 -10.667 6.177 5.106 1.00 0.57 C ATOM 1391 O PRO A 88 -11.028 6.009 6.272 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.130 4.128 3.719 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.960 2.946 4.654 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.773 3.323 5.539 1.00 0.30 C ATOM 0 HA PRO A 88 -9.039 6.003 3.808 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.179 4.282 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.596 3.969 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.859 2.777 5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.766 2.027 4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.932 2.991 6.565 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.859 2.845 5.188 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.239 7.067 4.291 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.346 7.916 4.686 1.00 0.36 C ATOM 1404 C GLY A 89 -12.864 8.691 3.483 1.00 0.57 C ATOM 1405 O GLY A 89 -13.563 8.117 2.650 1.00 -0.57 O ATOM 0 H GLY A 89 -10.936 7.214 3.328 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.146 7.310 5.110 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.024 8.609 5.464 1.00 0.36 H new ATOM 1409 N THR A 90 -12.489 9.970 3.380 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.910 10.863 2.290 1.00 0.36 C ATOM 1411 C THR A 90 -11.805 11.884 1.947 1.00 0.57 C ATOM 1412 O THR A 90 -11.574 12.164 0.770 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.211 11.597 2.705 1.00 0.28 C ATOM 1414 OG1 THR A 90 -15.306 10.727 2.954 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.700 12.598 1.654 1.00 0.00 C ATOM 0 H THR A 90 -11.877 10.422 4.059 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.095 10.264 1.398 1.00 0.36 H new ATOM 0 HB THR A 90 -13.915 12.106 3.622 1.00 0.28 H new ATOM 0 HG1 THR A 90 -16.091 11.254 3.212 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.614 13.077 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.934 13.355 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.901 12.075 0.719 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.130 12.448 2.962 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.123 13.494 2.796 1.00 0.36 C ATOM 1425 C GLY A 91 -8.742 12.867 2.685 1.00 0.57 C ATOM 1426 O GLY A 91 -8.567 11.964 1.877 1.00 -0.57 O ATOM 0 H GLY A 91 -11.276 12.181 3.936 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.339 14.081 1.903 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.154 14.179 3.643 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.775 13.321 3.495 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.438 12.723 3.601 1.00 0.36 C ATOM 1432 C LEU A 92 -6.492 11.200 3.849 1.00 0.57 C ATOM 1433 O LEU A 92 -5.606 10.470 3.414 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.656 13.465 4.700 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.215 12.944 4.934 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.157 14.017 4.663 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.069 12.438 6.375 1.00 0.00 C ATOM 0 H LEU A 92 -7.903 14.128 4.105 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.919 12.838 2.649 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.608 14.523 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.211 13.390 5.635 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.050 12.129 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.165 13.603 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.232 14.348 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.321 14.865 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.054 12.074 6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.273 13.253 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.776 11.627 6.549 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.532 10.695 4.517 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.728 9.264 4.700 1.00 0.36 C ATOM 1451 C GLY A 93 -7.558 8.467 3.398 1.00 0.57 C ATOM 1452 O GLY A 93 -8.056 8.870 2.344 1.00 -0.57 O ATOM 0 H GLY A 93 -8.258 11.270 4.944 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.017 8.897 5.441 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.726 9.087 5.101 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.824 7.351 3.485 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.470 6.467 2.385 1.00 0.36 C ATOM 1458 C GLY A 94 -5.143 6.850 1.743 1.00 0.57 C ATOM 1459 O GLY A 94 -4.469 5.991 1.179 1.00 -0.57 O ATOM 0 H GLY A 94 -6.444 7.030 4.375 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.413 5.441 2.749 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.257 6.494 1.632 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.761 8.128 1.803 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.671 8.642 0.981 1.00 0.36 C ATOM 1465 C ASP A 95 -2.352 8.071 1.496 1.00 0.57 C ATOM 1466 O ASP A 95 -2.203 7.783 2.689 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.747 10.186 0.937 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.101 10.614 0.347 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.642 9.874 -0.458 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.715 11.741 0.696 1.00 -0.65 O ATOM 0 H ASP A 95 -5.192 8.823 2.413 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.751 8.318 -0.057 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.629 10.596 1.940 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.932 10.584 0.332 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.402 7.873 0.581 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.186 7.113 0.831 1.00 0.36 C ATOM 1478 C ALA A 96 1.007 7.893 0.301 1.00 0.57 C ATOM 1479 O ALA A 96 0.950 8.516 -0.760 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.289 5.717 0.205 1.00 0.00 C ATOM 0 H ALA A 96 -1.461 8.244 -0.367 1.00 -0.73 H new ATOM 0 HA ALA A 96 -0.050 6.969 1.903 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.628 5.162 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.135 5.185 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.433 5.811 -0.871 1.00 0.00 H new ATOM 1486 N HIS A 97 2.083 7.904 1.079 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.185 8.832 0.919 1.00 0.36 C ATOM 1488 C HIS A 97 4.484 8.055 1.040 1.00 0.57 C ATOM 1489 O HIS A 97 4.553 7.142 1.854 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.094 9.944 1.965 1.00 0.17 C ATOM 1491 CG HIS A 97 1.952 10.916 1.762 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.113 12.282 1.703 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 0.610 10.650 1.711 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.914 12.805 1.387 1.00 0.65 C ATOM 1495 NE2 HIS A 97 -0.022 11.845 1.448 1.00 -0.70 N ATOM 0 H HIS A 97 2.212 7.253 1.853 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.145 9.308 -0.061 1.00 0.36 H new ATOM 0 HB2 HIS A 97 2.994 9.489 2.950 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.031 10.501 1.965 1.00 0.17 H new ATOM 0 HD2 HIS A 97 0.138 9.689 1.850 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.733 13.837 1.125 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -1.025 11.977 1.322 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.501 8.378 0.237 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.706 7.557 0.110 1.00 0.36 C ATOM 1506 C PHE A 98 7.918 8.481 -0.028 1.00 0.57 C ATOM 1507 O PHE A 98 7.784 9.595 -0.543 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.611 6.582 -1.090 1.00 0.14 C ATOM 1509 CG PHE A 98 5.342 5.732 -1.249 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.063 6.317 -1.397 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.439 4.324 -1.293 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 2.912 5.526 -1.486 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.284 3.531 -1.431 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.017 4.129 -1.517 1.00 -0.15 C ATOM 0 H PHE A 98 5.511 9.217 -0.343 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.812 6.942 1.004 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.734 7.167 -2.002 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.460 5.901 -1.031 1.00 0.14 H new ATOM 0 HD1 PHE A 98 3.973 7.392 -1.442 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.407 3.851 -1.220 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 1.940 5.994 -1.531 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.373 2.455 -1.471 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.131 3.518 -1.606 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.096 8.027 0.410 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.337 8.774 0.230 1.00 0.36 C ATOM 1526 C ASP A 99 10.890 8.485 -1.168 1.00 0.57 C ATOM 1527 O ASP A 99 11.492 7.438 -1.383 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.384 8.420 1.304 1.00 0.06 C ATOM 1529 CG ASP A 99 11.361 9.348 2.521 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.246 10.544 2.312 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.586 8.810 3.716 1.00 -0.65 O ATOM 0 H ASP A 99 9.213 7.138 0.895 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.119 9.837 0.336 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.217 7.396 1.637 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.376 8.451 0.854 1.00 0.06 H new ATOM 1537 N GLU A 100 10.720 9.400 -2.128 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.331 9.318 -3.461 1.00 0.36 C ATOM 1539 C GLU A 100 12.871 9.309 -3.377 1.00 0.57 C ATOM 1540 O GLU A 100 13.524 8.847 -4.311 1.00 -0.57 O ATOM 1541 CB GLU A 100 10.862 10.491 -4.350 1.00 0.00 C ATOM 1542 CG GLU A 100 11.012 10.191 -5.862 1.00 0.06 C ATOM 1543 CD GLU A 100 11.397 11.411 -6.716 1.00 0.66 C ATOM 1544 OE1 GLU A 100 10.697 11.659 -7.684 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.487 12.096 -6.382 1.00 -0.65 O ATOM 0 H GLU A 100 10.145 10.232 -2.000 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.007 8.379 -3.910 1.00 0.36 H new ATOM 0 HB2 GLU A 100 9.818 10.714 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.438 11.383 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.769 9.417 -5.993 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.072 9.784 -6.234 1.00 0.06 H new ATOM 1553 N ASP A 101 13.459 9.805 -2.273 1.00 -0.73 N ATOM 1554 CA ASP A 101 14.915 9.748 -2.061 1.00 0.36 C ATOM 1555 C ASP A 101 15.391 8.301 -2.024 1.00 0.57 C ATOM 1556 O ASP A 101 16.454 7.976 -2.559 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.347 10.421 -0.746 1.00 0.06 C ATOM 1558 CG ASP A 101 16.860 10.767 -0.724 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.723 9.905 -0.685 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.154 12.064 -0.746 1.00 -0.65 O ATOM 0 H ASP A 101 12.945 10.251 -1.513 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.365 10.286 -2.896 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.767 11.332 -0.601 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.117 9.760 0.089 1.00 0.06 H new ATOM 1566 N GLU A 102 14.592 7.425 -1.401 1.00 -0.73 N ATOM 1567 CA GLU A 102 14.935 6.023 -1.314 1.00 0.36 C ATOM 1568 C GLU A 102 14.836 5.446 -2.712 1.00 0.57 C ATOM 1569 O GLU A 102 13.818 5.606 -3.381 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.067 5.282 -0.287 1.00 0.00 C ATOM 1571 CG GLU A 102 14.346 5.914 1.083 1.00 0.06 C ATOM 1572 CD GLU A 102 14.086 5.022 2.287 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.454 5.523 3.202 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 14.673 3.829 2.316 1.00 -0.65 O ATOM 0 H GLU A 102 13.709 7.674 -0.955 1.00 -0.73 H new ATOM 0 HA GLU A 102 15.953 5.898 -0.946 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.011 5.368 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.307 4.219 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.388 6.234 1.109 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.734 6.811 1.180 1.00 0.06 H new ATOM 1582 N ARG A 103 15.918 4.802 -3.158 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.949 4.123 -4.445 1.00 0.36 C ATOM 1584 C ARG A 103 14.730 3.231 -4.546 1.00 0.57 C ATOM 1585 O ARG A 103 14.473 2.451 -3.628 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.229 3.287 -4.590 1.00 0.00 C ATOM 1587 CG ARG A 103 18.187 3.877 -5.627 1.00 0.00 C ATOM 1588 CD ARG A 103 19.614 3.962 -5.078 1.00 0.33 C ATOM 1589 NE ARG A 103 20.521 4.535 -6.082 1.00 -0.84 N ATOM 1590 CZ ARG A 103 20.558 5.821 -6.463 1.00 1.20 C ATOM 1591 NH1 ARG A 103 19.808 6.741 -5.850 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 21.340 6.188 -7.478 1.00 -0.97 N ATOM 0 H ARG A 103 16.792 4.740 -2.635 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.941 4.862 -5.246 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.733 3.226 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 103 16.966 2.269 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.177 3.262 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.846 4.871 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.627 4.575 -4.177 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.960 2.968 -4.793 1.00 0.33 H new ATOM 0 HE ARG A 103 21.181 3.899 -6.529 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 19.196 6.470 -5.080 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 19.847 7.715 -6.151 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 21.907 5.492 -7.962 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 21.371 7.165 -7.771 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.039 3.307 -5.675 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.824 2.556 -5.893 1.00 0.36 C ATOM 1608 C TRP A 104 13.087 1.693 -7.111 1.00 0.57 C ATOM 1609 O TRP A 104 13.547 2.184 -8.131 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.639 3.516 -6.063 1.00 0.18 C ATOM 1611 CG TRP A 104 11.119 4.126 -4.793 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.101 5.441 -4.482 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.589 3.447 -3.613 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.635 5.609 -3.195 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.289 4.416 -2.612 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.377 2.100 -3.269 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.818 4.070 -1.334 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.893 1.739 -2.000 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.612 2.716 -1.028 1.00 -0.15 C ATOM 0 H TRP A 104 14.311 3.894 -6.463 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.556 1.920 -5.049 1.00 0.36 H new ATOM 0 HB2 TRP A 104 11.937 4.319 -6.737 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.824 2.979 -6.549 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.406 6.240 -5.142 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.557 6.514 -2.731 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.590 1.328 -3.994 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.618 4.835 -0.598 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.735 0.696 -1.768 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.241 2.427 -0.056 1.00 -0.15 H new ATOM 1630 N THR A 105 12.811 0.398 -7.013 1.00 -0.73 N ATOM 1631 CA THR A 105 13.008 -0.532 -8.113 1.00 0.36 C ATOM 1632 C THR A 105 11.850 -1.526 -8.124 1.00 0.57 C ATOM 1633 O THR A 105 11.124 -1.669 -7.135 1.00 -0.57 O ATOM 1634 CB THR A 105 14.412 -1.169 -8.017 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.646 -2.051 -9.094 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.659 -1.968 -6.736 1.00 0.00 C ATOM 0 H THR A 105 12.444 -0.035 -6.166 1.00 -0.73 H new ATOM 0 HA THR A 105 12.991 -0.027 -9.079 1.00 0.36 H new ATOM 0 HB THR A 105 15.089 -0.314 -8.031 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.603 -2.066 -9.303 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.668 -2.379 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.548 -1.313 -5.872 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.937 -2.782 -6.670 1.00 0.00 H new ATOM 1644 N ASP A 106 11.668 -2.198 -9.259 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.722 -3.292 -9.410 1.00 0.36 C ATOM 1646 C ASP A 106 11.240 -4.570 -8.732 1.00 0.57 C ATOM 1647 O ASP A 106 10.436 -5.425 -8.352 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.466 -3.515 -10.909 1.00 0.06 C ATOM 1649 CG ASP A 106 11.642 -4.183 -11.632 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.717 -3.608 -11.583 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 11.398 -5.333 -12.254 1.00 -0.65 O ATOM 0 H ASP A 106 12.186 -1.990 -10.113 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.784 -3.035 -8.918 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.576 -4.132 -11.031 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.256 -2.555 -11.381 1.00 0.06 H new ATOM 1657 N GLY A 107 12.563 -4.685 -8.538 1.00 -0.73 N ATOM 1658 CA GLY A 107 13.194 -5.790 -7.822 1.00 0.36 C ATOM 1659 C GLY A 107 14.624 -6.028 -8.314 1.00 0.57 C ATOM 1660 O GLY A 107 14.823 -6.731 -9.311 1.00 -0.57 O ATOM 0 H GLY A 107 13.231 -3.996 -8.883 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 13.206 -5.574 -6.754 1.00 0.36 H new ATOM 0 HA3 GLY A 107 12.605 -6.697 -7.957 1.00 0.36 H new ATOM 1664 N SER A 108 15.616 -5.465 -7.602 1.00 -0.73 N ATOM 1665 CA SER A 108 17.032 -5.583 -7.962 1.00 0.36 C ATOM 1666 C SER A 108 17.823 -6.252 -6.828 1.00 0.57 C ATOM 1667 O SER A 108 18.269 -7.383 -7.008 1.00 -0.57 O ATOM 1668 CB SER A 108 17.595 -4.209 -8.376 1.00 0.28 C ATOM 1669 OG SER A 108 18.942 -4.291 -8.817 1.00 -0.68 O ATOM 0 H SER A 108 15.453 -4.915 -6.759 1.00 -0.73 H new ATOM 0 HA SER A 108 17.136 -6.234 -8.830 1.00 0.36 H new ATOM 0 HB2 SER A 108 16.979 -3.791 -9.172 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.532 -3.523 -7.531 1.00 0.28 H new ATOM 0 HG SER A 108 19.258 -3.399 -9.071 1.00 -0.68 H new ATOM 1675 N SER A 109 17.994 -5.590 -5.670 1.00 -0.73 N ATOM 1676 CA SER A 109 18.694 -6.141 -4.504 1.00 0.36 C ATOM 1677 C SER A 109 18.690 -5.094 -3.382 1.00 0.57 C ATOM 1678 O SER A 109 18.066 -5.299 -2.341 1.00 -0.57 O ATOM 1679 CB SER A 109 20.145 -6.541 -4.868 1.00 0.28 C ATOM 1680 OG SER A 109 20.432 -7.879 -4.520 1.00 -0.68 O ATOM 0 H SER A 109 17.644 -4.644 -5.519 1.00 -0.73 H new ATOM 0 HA SER A 109 18.179 -7.041 -4.168 1.00 0.36 H new ATOM 0 HB2 SER A 109 20.300 -6.404 -5.938 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.842 -5.877 -4.357 1.00 0.28 H new ATOM 0 HG SER A 109 21.356 -8.091 -4.768 1.00 -0.68 H new ATOM 1686 N LEU A 110 19.356 -3.952 -3.622 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.617 -2.932 -2.605 1.00 0.36 C ATOM 1688 C LEU A 110 18.538 -1.853 -2.647 1.00 0.57 C ATOM 1689 O LEU A 110 18.009 -1.482 -1.603 1.00 -0.57 O ATOM 1690 CB LEU A 110 21.023 -2.332 -2.827 1.00 0.00 C ATOM 1691 CG LEU A 110 21.722 -1.860 -1.531 1.00 0.00 C ATOM 1692 CD1 LEU A 110 23.208 -1.617 -1.824 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.134 -0.581 -0.920 1.00 0.00 C ATOM 0 H LEU A 110 19.731 -3.713 -4.540 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.588 -3.387 -1.615 1.00 0.36 H new ATOM 0 HB2 LEU A 110 21.651 -3.078 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.942 -1.487 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 110 21.568 -2.654 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.708 -1.284 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 110 23.666 -2.543 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 110 23.307 -0.852 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.685 -0.324 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.214 0.235 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.085 -0.745 -0.672 1.00 0.00 H new ATOM 1705 N GLY A 111 18.201 -1.374 -3.856 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.091 -0.455 -4.057 1.00 0.36 C ATOM 1707 C GLY A 111 15.805 -1.056 -3.496 1.00 0.57 C ATOM 1708 O GLY A 111 15.614 -2.273 -3.535 1.00 -0.57 O ATOM 0 H GLY A 111 18.695 -1.618 -4.714 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.302 0.495 -3.566 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.970 -0.245 -5.120 1.00 0.36 H new ATOM 1712 N ILE A 112 14.935 -0.206 -2.957 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.756 -0.639 -2.232 1.00 0.36 C ATOM 1714 C ILE A 112 12.710 -1.072 -3.265 1.00 0.57 C ATOM 1715 O ILE A 112 12.529 -0.422 -4.298 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.253 0.498 -1.314 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.382 1.202 -0.514 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.166 -0.039 -0.364 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.306 0.292 0.311 1.00 0.00 C ATOM 0 H ILE A 112 15.034 0.808 -3.014 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.975 -1.484 -1.580 1.00 0.36 H new ATOM 0 HB ILE A 112 12.832 1.263 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.996 1.767 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.923 1.924 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.815 0.767 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.331 -0.426 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.581 -0.839 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.052 0.899 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.716 -0.255 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.806 -0.415 -0.351 1.00 0.00 H new ATOM 1731 N ASN A 113 12.021 -2.181 -2.989 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.023 -2.715 -3.898 1.00 0.36 C ATOM 1733 C ASN A 113 9.760 -1.846 -3.847 1.00 0.57 C ATOM 1734 O ASN A 113 8.989 -1.926 -2.887 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.741 -4.182 -3.554 1.00 0.06 C ATOM 1736 CG ASN A 113 9.830 -4.837 -4.587 1.00 0.57 C ATOM 1737 OD1 ASN A 113 9.015 -4.187 -5.230 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.911 -6.140 -4.759 1.00 -0.80 N ATOM 0 H ASN A 113 12.142 -2.725 -2.135 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.394 -2.689 -4.923 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.681 -4.730 -3.498 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.278 -4.243 -2.569 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.296 -6.606 -5.426 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.589 -6.684 -4.225 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.539 -1.035 -4.889 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.364 -0.177 -5.001 1.00 0.36 C ATOM 1747 C PHE A 114 7.088 -1.011 -5.099 1.00 0.57 C ATOM 1748 O PHE A 114 6.050 -0.591 -4.601 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.493 0.738 -6.230 1.00 0.14 C ATOM 1750 CG PHE A 114 7.465 1.861 -6.310 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.136 1.586 -6.674 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.829 3.196 -6.045 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.198 2.616 -6.825 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.896 4.235 -6.196 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.589 3.938 -6.614 1.00 -0.15 C ATOM 0 H PHE A 114 10.178 -0.959 -5.681 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.303 0.438 -4.103 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.490 1.178 -6.233 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.412 0.127 -7.129 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.832 0.563 -6.840 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.835 3.423 -5.723 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.180 2.388 -7.103 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.182 5.256 -5.992 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.882 4.739 -6.773 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.140 -2.186 -5.733 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.989 -3.071 -5.899 1.00 0.36 C ATOM 1767 C LEU A 115 5.546 -3.520 -4.507 1.00 0.57 C ATOM 1768 O LEU A 115 4.369 -3.402 -4.147 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.403 -4.257 -6.816 1.00 0.00 C ATOM 1770 CG LEU A 115 5.407 -4.620 -7.937 1.00 0.00 C ATOM 1771 CD1 LEU A 115 6.141 -5.268 -9.120 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.234 -5.505 -7.518 1.00 0.00 C ATOM 0 H LEU A 115 7.996 -2.552 -6.150 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.146 -2.574 -6.379 1.00 0.36 H new ATOM 0 HB2 LEU A 115 7.364 -4.020 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.555 -5.138 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 115 4.964 -3.666 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.423 -5.517 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.880 -4.571 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.642 -6.176 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.597 -5.698 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.612 -6.450 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.654 -4.999 -6.746 1.00 0.00 H new ATOM 1784 N TYR A 116 6.501 -4.029 -3.718 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.251 -4.519 -2.365 1.00 0.36 C ATOM 1786 C TYR A 116 5.787 -3.353 -1.484 1.00 0.57 C ATOM 1787 O TYR A 116 4.857 -3.511 -0.696 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.520 -5.208 -1.828 1.00 0.14 C ATOM 1789 CG TYR A 116 7.309 -6.464 -1.003 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.269 -7.718 -1.647 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.247 -6.397 0.403 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.201 -8.901 -0.892 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.192 -7.578 1.166 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.186 -8.836 0.519 1.00 0.08 C ATOM 1795 OH TYR A 116 7.143 -9.995 1.229 1.00 -0.53 O ATOM 0 H TYR A 116 7.476 -4.111 -4.007 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.456 -5.264 -2.361 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.157 -5.459 -2.676 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.068 -4.488 -1.220 1.00 0.14 H new ATOM 0 HD1 TYR A 116 7.291 -7.769 -2.726 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.242 -5.436 0.897 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 7.160 -9.859 -1.390 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.154 -7.524 2.244 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.360 -9.812 2.167 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.382 -2.165 -1.671 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.023 -0.961 -0.936 1.00 0.36 C ATOM 1807 C ALA A 117 4.616 -0.501 -1.243 1.00 0.57 C ATOM 1808 O ALA A 117 3.828 -0.325 -0.322 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.004 0.165 -1.261 1.00 0.00 C ATOM 0 H ALA A 117 7.133 -2.021 -2.346 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.072 -1.207 0.125 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.726 1.061 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.012 -0.138 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.974 0.377 -2.330 1.00 0.00 H new ATOM 1815 N ALA A 118 4.287 -0.323 -2.523 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.965 0.096 -2.932 1.00 0.36 C ATOM 1817 C ALA A 118 1.950 -0.892 -2.380 1.00 0.57 C ATOM 1818 O ALA A 118 1.018 -0.472 -1.717 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.885 0.208 -4.455 1.00 0.00 C ATOM 0 H ALA A 118 4.935 -0.467 -3.297 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.743 1.086 -2.532 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.883 0.524 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.612 0.941 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.103 -0.761 -4.903 1.00 0.00 H new ATOM 1825 N THR A 119 2.174 -2.196 -2.551 1.00 -0.73 N ATOM 1826 CA THR A 119 1.253 -3.212 -2.049 1.00 0.36 C ATOM 1827 C THR A 119 1.114 -3.136 -0.521 1.00 0.57 C ATOM 1828 O THR A 119 0.003 -3.284 -0.011 1.00 -0.57 O ATOM 1829 CB THR A 119 1.714 -4.598 -2.514 1.00 0.28 C ATOM 1830 OG1 THR A 119 2.124 -4.551 -3.867 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.577 -5.619 -2.428 1.00 0.00 C ATOM 0 H THR A 119 2.989 -2.572 -3.035 1.00 -0.73 H new ATOM 0 HA THR A 119 0.261 -3.024 -2.459 1.00 0.36 H new ATOM 0 HB THR A 119 2.537 -4.893 -1.863 1.00 0.28 H new ATOM 0 HG1 THR A 119 3.096 -4.435 -3.910 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.935 -6.592 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.234 -5.696 -1.396 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.249 -5.298 -3.062 1.00 0.00 H new ATOM 1839 N HIS A 120 2.208 -2.851 0.201 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.161 -2.608 1.637 1.00 0.36 C ATOM 1841 C HIS A 120 1.280 -1.384 1.931 1.00 0.57 C ATOM 1842 O HIS A 120 0.296 -1.491 2.661 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.604 -2.518 2.201 1.00 0.17 C ATOM 1844 CG HIS A 120 3.732 -2.383 3.704 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.647 -3.018 4.533 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.960 -1.598 4.508 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.391 -2.635 5.801 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.360 -1.776 5.805 1.00 -0.70 N ATOM 0 H HIS A 120 3.144 -2.784 -0.199 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.690 -3.441 2.159 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.148 -3.410 1.890 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.099 -1.665 1.738 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.382 -3.660 4.236 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.166 -0.945 4.177 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.931 -2.967 6.675 1.00 0.65 H new ATOM 1857 N GLU A 121 1.613 -0.214 1.384 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.952 1.035 1.756 1.00 0.36 C ATOM 1859 C GLU A 121 -0.504 1.068 1.278 1.00 0.57 C ATOM 1860 O GLU A 121 -1.396 1.485 2.017 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.712 2.229 1.170 1.00 0.00 C ATOM 1862 CG GLU A 121 3.176 2.366 1.611 1.00 0.06 C ATOM 1863 CD GLU A 121 3.374 2.202 3.114 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.196 3.174 3.830 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.703 0.998 3.573 1.00 -0.65 O ATOM 0 H GLU A 121 2.341 -0.107 0.678 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.954 1.097 2.844 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.684 2.156 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.183 3.142 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.776 1.620 1.090 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.549 3.344 1.308 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.755 0.598 0.052 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.085 0.501 -0.535 1.00 0.36 C ATOM 1875 C LEU A 122 -2.942 -0.518 0.218 1.00 0.57 C ATOM 1876 O LEU A 122 -4.165 -0.397 0.219 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.027 0.114 -2.024 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.756 1.263 -3.021 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.551 2.177 -2.747 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -1.581 0.647 -4.413 1.00 0.00 C ATOM 0 H LEU A 122 -0.018 0.268 -0.571 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.538 1.489 -0.451 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.250 -0.640 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.973 -0.356 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.619 1.921 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.485 2.936 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.675 2.662 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.363 1.583 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.388 1.437 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.741 -0.048 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.489 0.113 -4.691 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.335 -1.498 0.893 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.085 -2.350 1.792 1.00 0.36 C ATOM 1894 C GLY A 123 -3.765 -1.527 2.882 1.00 0.57 C ATOM 1895 O GLY A 123 -4.970 -1.661 3.116 1.00 -0.57 O ATOM 0 H GLY A 123 -1.340 -1.712 0.830 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.835 -2.907 1.230 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.418 -3.082 2.247 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.021 -0.593 3.484 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.589 0.337 4.449 1.00 0.36 C ATOM 1901 C HIS A 124 -4.521 1.355 3.792 1.00 0.57 C ATOM 1902 O HIS A 124 -5.510 1.719 4.427 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.502 1.040 5.263 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.552 0.080 5.928 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.839 -0.787 6.956 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.250 -0.130 5.571 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.738 -1.519 7.179 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.270 -1.140 6.382 1.00 -0.70 N ATOM 0 H HIS A 124 -2.023 -0.466 3.315 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.191 -0.259 5.135 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.939 1.705 4.609 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.972 1.664 6.024 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.285 0.396 4.794 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.672 -2.313 7.908 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.220 -1.512 6.370 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.266 1.781 2.543 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.203 2.661 1.840 1.00 0.36 C ATOM 1919 C SER A 125 -6.568 1.993 1.688 1.00 0.57 C ATOM 1920 O SER A 125 -7.597 2.650 1.833 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.673 3.145 0.479 1.00 0.28 C ATOM 1922 OG SER A 125 -4.868 2.250 -0.595 1.00 -0.68 O ATOM 0 H SER A 125 -3.432 1.533 2.010 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.314 3.551 2.460 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.156 4.091 0.235 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.606 3.347 0.574 1.00 0.28 H new ATOM 0 HG SER A 125 -4.671 1.337 -0.300 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.586 0.677 1.430 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.829 -0.072 1.332 1.00 0.36 C ATOM 1930 C LEU A 126 -8.521 -0.177 2.695 1.00 0.57 C ATOM 1931 O LEU A 126 -9.751 -0.188 2.784 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.564 -1.474 0.750 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.578 -1.904 -0.325 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -10.035 -1.535 -0.012 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.212 -1.296 -1.682 1.00 0.00 C ATOM 0 H LEU A 126 -5.746 0.116 1.286 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.497 0.466 0.659 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.563 -1.495 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.578 -2.202 1.561 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.517 -2.992 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.679 -1.876 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.340 -2.013 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.122 -0.453 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.940 -1.611 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.216 -0.209 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.219 -1.635 -1.977 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.723 -0.244 3.761 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.203 -0.260 5.125 1.00 0.36 C ATOM 1949 C GLY A 127 -7.068 -0.452 6.115 1.00 0.57 C ATOM 1950 O GLY A 127 -6.915 0.334 7.049 1.00 -0.57 O ATOM 0 H GLY A 127 -6.707 -0.289 3.689 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.720 0.675 5.340 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -8.931 -1.062 5.246 1.00 0.36 H new ATOM 1954 N MET A 128 -6.301 -1.524 5.924 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.348 -2.059 6.881 1.00 0.36 C ATOM 1956 C MET A 128 -4.767 -3.341 6.288 1.00 0.57 C ATOM 1957 O MET A 128 -5.277 -3.871 5.303 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.992 -2.373 8.251 1.00 0.00 C ATOM 1959 CG MET A 128 -7.017 -3.512 8.202 1.00 0.23 C ATOM 1960 SD MET A 128 -8.551 -3.069 7.357 1.00 -0.46 S ATOM 1961 CE MET A 128 -8.879 -4.622 6.521 1.00 0.23 C ATOM 0 H MET A 128 -6.332 -2.063 5.059 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.578 -1.309 7.060 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.207 -2.633 8.961 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.479 -1.474 8.629 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.570 -4.370 7.700 1.00 0.23 H new ATOM 0 HG3 MET A 128 -7.250 -3.824 9.220 1.00 0.23 H new ATOM 0 HE1 MET A 128 -9.886 -4.606 6.105 1.00 0.23 H new ATOM 0 HE2 MET A 128 -8.157 -4.762 5.717 1.00 0.23 H new ATOM 0 HE3 MET A 128 -8.794 -5.443 7.232 1.00 0.23 H new ATOM 1971 N GLY A 129 -3.762 -3.877 6.971 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.036 -5.066 6.590 1.00 0.36 C ATOM 1973 C GLY A 129 -1.748 -4.984 7.385 1.00 0.57 C ATOM 1974 O GLY A 129 -0.741 -4.523 6.877 1.00 -0.57 O ATOM 0 H GLY A 129 -3.422 -3.471 7.843 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.596 -5.969 6.831 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -2.842 -5.088 5.518 1.00 0.36 H new ATOM 1978 N HIS A 130 -1.806 -5.265 8.686 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.641 -5.205 9.557 1.00 0.36 C ATOM 1980 C HIS A 130 -0.667 -6.449 10.435 1.00 0.57 C ATOM 1981 O HIS A 130 -1.715 -7.077 10.612 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.627 -3.909 10.402 1.00 0.17 C ATOM 1983 CG HIS A 130 0.452 -2.887 10.096 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.530 -1.635 10.666 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.516 -2.987 9.233 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.612 -1.010 10.172 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.244 -1.798 9.292 1.00 -0.70 N ATOM 0 H HIS A 130 -2.664 -5.541 9.163 1.00 -0.73 H new ATOM 0 HA HIS A 130 0.273 -5.182 8.964 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.595 -3.421 10.287 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.535 -4.192 11.451 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.749 -3.841 8.614 1.00 0.20 H new ATOM 0 HE1 HIS A 130 1.927 -0.014 10.445 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.090 -1.573 8.769 1.00 -0.70 H new ATOM 1996 N SER A 131 0.508 -6.798 10.953 1.00 -0.73 N ATOM 1997 CA SER A 131 0.807 -8.003 11.706 1.00 0.36 C ATOM 1998 C SER A 131 2.255 -7.873 12.174 1.00 0.57 C ATOM 1999 O SER A 131 2.929 -6.876 11.892 1.00 -0.57 O ATOM 2000 CB SER A 131 0.681 -9.231 10.794 1.00 0.28 C ATOM 2001 OG SER A 131 -0.599 -9.843 10.846 1.00 -0.68 O ATOM 0 H SER A 131 1.329 -6.202 10.848 1.00 -0.73 H new ATOM 0 HA SER A 131 0.121 -8.122 12.544 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.892 -8.935 9.767 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.437 -9.963 11.076 1.00 0.28 H new ATOM 0 HG SER A 131 -1.294 -9.154 10.789 1.00 -0.68 H new ATOM 2007 N SER A 132 2.741 -8.919 12.840 1.00 -0.73 N ATOM 2008 CA SER A 132 4.045 -8.951 13.473 1.00 0.36 C ATOM 2009 C SER A 132 4.775 -10.252 13.092 1.00 0.57 C ATOM 2010 O SER A 132 5.424 -10.853 13.944 1.00 -0.57 O ATOM 2011 CB SER A 132 3.868 -8.769 14.991 1.00 0.28 C ATOM 2012 OG SER A 132 2.986 -7.696 15.311 1.00 -0.68 O ATOM 0 H SER A 132 2.219 -9.788 12.953 1.00 -0.73 H new ATOM 0 HA SER A 132 4.673 -8.132 13.122 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.483 -9.693 15.422 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.840 -8.585 15.448 1.00 0.28 H new ATOM 0 HG SER A 132 2.903 -7.620 16.285 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.651 -10.698 11.830 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.160 -11.996 11.367 1.00 0.36 C ATOM 2020 C ASP A 133 6.449 -11.826 10.539 1.00 0.57 C ATOM 2021 O ASP A 133 6.502 -10.940 9.685 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.095 -12.726 10.532 1.00 0.06 C ATOM 2023 CG ASP A 133 4.315 -14.240 10.614 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.989 -14.820 11.637 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 4.976 -14.783 9.596 1.00 -0.65 O ATOM 0 H ASP A 133 4.189 -10.160 11.097 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.394 -12.594 12.248 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.099 -12.474 10.897 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.147 -12.398 9.494 1.00 0.06 H new ATOM 2031 N PRO A 134 7.487 -12.669 10.715 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.777 -12.491 10.045 1.00 0.36 C ATOM 2033 C PRO A 134 8.728 -12.767 8.534 1.00 0.57 C ATOM 2034 O PRO A 134 9.698 -12.463 7.843 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.753 -13.425 10.770 1.00 0.00 C ATOM 2036 CG PRO A 134 8.866 -14.509 11.377 1.00 0.00 C ATOM 2037 CD PRO A 134 7.504 -13.848 11.566 1.00 0.30 C ATOM 0 HA PRO A 134 9.093 -11.450 10.105 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.483 -13.849 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.313 -12.894 11.539 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.796 -15.375 10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 134 9.268 -14.862 12.327 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.701 -14.533 11.294 1.00 0.30 H new ATOM 0 HD3 PRO A 134 7.349 -13.574 12.609 1.00 0.30 H new ATOM 2045 N ASN A 135 7.617 -13.314 8.018 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.362 -13.501 6.587 1.00 0.36 C ATOM 2047 C ASN A 135 6.070 -12.757 6.190 1.00 0.57 C ATOM 2048 O ASN A 135 5.404 -13.128 5.221 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.342 -15.007 6.238 1.00 0.06 C ATOM 2050 CG ASN A 135 8.745 -15.594 6.073 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.279 -15.680 4.965 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 9.365 -16.000 7.179 1.00 -0.80 N ATOM 0 H ASN A 135 6.851 -13.647 8.604 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.169 -13.066 5.998 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.815 -15.550 7.022 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.780 -15.154 5.316 1.00 0.06 H new ATOM 0 HD21 ASN A 135 10.304 -16.393 7.122 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.901 -15.918 8.083 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.680 -11.714 6.941 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.566 -10.863 6.547 1.00 0.36 C ATOM 2061 C ALA A 136 4.965 -9.993 5.350 1.00 0.57 C ATOM 2062 O ALA A 136 6.016 -9.345 5.351 1.00 -0.57 O ATOM 2063 CB ALA A 136 4.076 -10.015 7.728 1.00 0.00 C ATOM 0 H ALA A 136 6.124 -11.448 7.820 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.733 -11.496 6.241 1.00 0.36 H new ATOM 0 HB1 ALA A 136 3.244 -9.389 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.746 -10.670 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.889 -9.383 8.084 1.00 0.00 H new ATOM 2069 N VAL A 137 4.093 -9.939 4.343 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.283 -9.087 3.165 1.00 0.36 C ATOM 2071 C VAL A 137 4.100 -7.606 3.538 1.00 0.57 C ATOM 2072 O VAL A 137 4.675 -6.718 2.906 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.366 -9.594 2.032 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.889 -9.431 2.374 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.628 -8.953 0.662 1.00 0.00 C ATOM 0 H VAL A 137 3.232 -10.486 4.320 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.303 -9.151 2.787 1.00 0.36 H new ATOM 0 HB VAL A 137 3.619 -10.651 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.281 -9.801 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.660 -9.998 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.669 -8.377 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.938 -9.369 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.479 -7.875 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.653 -9.159 0.354 1.00 0.00 H new ATOM 2085 N MET A 138 3.388 -7.338 4.634 1.00 -0.73 N ATOM 2086 CA MET A 138 3.124 -6.026 5.189 1.00 0.36 C ATOM 2087 C MET A 138 3.842 -5.854 6.537 1.00 0.57 C ATOM 2088 O MET A 138 3.426 -5.045 7.364 1.00 -0.57 O ATOM 2089 CB MET A 138 1.594 -5.828 5.257 1.00 0.00 C ATOM 2090 CG MET A 138 1.148 -4.521 4.597 1.00 0.23 C ATOM 2091 SD MET A 138 -0.388 -4.617 3.630 1.00 -0.46 S ATOM 2092 CE MET A 138 0.098 -5.814 2.352 1.00 0.23 C ATOM 0 H MET A 138 2.958 -8.081 5.185 1.00 -0.73 H new ATOM 0 HA MET A 138 3.528 -5.239 4.552 1.00 0.36 H new ATOM 0 HB2 MET A 138 1.099 -6.667 4.768 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.275 -5.834 6.299 1.00 0.00 H new ATOM 0 HG2 MET A 138 1.021 -3.767 5.374 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.948 -4.173 3.943 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.537 -5.688 1.475 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.139 -5.647 2.074 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.016 -6.826 2.740 1.00 0.23 H new ATOM 2102 N TYR A 139 4.936 -6.596 6.780 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.764 -6.401 7.969 1.00 0.36 C ATOM 2104 C TYR A 139 6.348 -4.977 7.975 1.00 0.57 C ATOM 2105 O TYR A 139 6.708 -4.478 6.902 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.904 -7.436 8.008 1.00 0.14 C ATOM 2107 CG TYR A 139 7.532 -7.642 9.377 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.740 -8.084 10.453 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.903 -7.398 9.585 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.305 -8.257 11.727 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.478 -7.578 10.859 1.00 -0.15 C ATOM 2112 CZ TYR A 139 8.677 -8.007 11.940 1.00 0.08 C ATOM 2113 OH TYR A 139 9.215 -8.183 13.180 1.00 -0.53 O ATOM 0 H TYR A 139 5.263 -7.338 6.162 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.140 -6.536 8.853 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.520 -8.392 7.653 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.682 -7.126 7.310 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.691 -8.291 10.298 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.519 -7.070 8.761 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 6.685 -8.584 12.549 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.531 -7.388 11.008 1.00 -0.15 H new ATOM 0 HH TYR A 139 10.171 -7.969 13.155 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.468 -4.315 9.142 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.268 -3.105 9.272 1.00 0.36 C ATOM 2125 C PRO A 140 8.775 -3.415 9.147 1.00 0.57 C ATOM 2126 O PRO A 140 9.143 -4.538 8.819 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.857 -2.494 10.620 1.00 0.00 C ATOM 2128 CG PRO A 140 6.329 -3.656 11.452 1.00 0.00 C ATOM 2129 CD PRO A 140 5.905 -4.706 10.428 1.00 0.30 C ATOM 0 HA PRO A 140 7.088 -2.388 8.471 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.706 -2.016 11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.093 -1.728 10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.096 -4.044 12.122 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.489 -3.348 12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.264 -5.693 10.720 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.818 -4.767 10.368 1.00 0.30 H new ATOM 2137 N THR A 141 9.647 -2.432 9.418 1.00 -0.73 N ATOM 2138 CA THR A 141 11.109 -2.583 9.492 1.00 0.36 C ATOM 2139 C THR A 141 11.689 -3.444 8.349 1.00 0.57 C ATOM 2140 O THR A 141 12.137 -4.567 8.567 1.00 -0.57 O ATOM 2141 CB THR A 141 11.521 -2.977 10.935 1.00 0.28 C ATOM 2142 OG1 THR A 141 12.919 -3.020 11.087 1.00 -0.68 O ATOM 2143 CG2 THR A 141 10.965 -4.297 11.483 1.00 0.00 C ATOM 0 H THR A 141 9.343 -1.475 9.598 1.00 -0.73 H new ATOM 0 HA THR A 141 11.587 -1.622 9.303 1.00 0.36 H new ATOM 0 HB THR A 141 11.063 -2.178 11.518 1.00 0.28 H new ATOM 0 HG1 THR A 141 13.140 -3.270 12.008 1.00 -0.68 H new ATOM 0 HG21 THR A 141 11.330 -4.452 12.498 1.00 0.00 H new ATOM 0 HG22 THR A 141 9.876 -4.258 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 141 11.294 -5.121 10.850 1.00 0.00 H new ATOM 2151 N TYR A 142 11.638 -2.904 7.119 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.008 -3.579 5.870 1.00 0.36 C ATOM 2153 C TYR A 142 13.303 -4.391 5.976 1.00 0.57 C ATOM 2154 O TYR A 142 14.341 -3.860 6.374 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.150 -2.535 4.756 1.00 0.14 C ATOM 2156 CG TYR A 142 12.359 -3.088 3.354 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.319 -3.773 2.694 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.576 -2.860 2.682 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.472 -4.167 1.352 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.742 -3.265 1.344 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.675 -3.894 0.661 1.00 0.08 C ATOM 2162 OH TYR A 142 12.800 -4.219 -0.659 1.00 -0.53 O ATOM 0 H TYR A 142 11.324 -1.946 6.965 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.212 -4.289 5.645 1.00 0.36 H new ATOM 0 HB2 TYR A 142 11.255 -1.912 4.751 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.990 -1.884 4.999 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.402 -3.996 3.220 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.389 -2.370 3.198 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.667 -4.680 0.847 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 14.682 -3.096 0.840 1.00 -0.15 H new ATOM 0 HH TYR A 142 13.690 -3.961 -0.977 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.231 -5.654 5.546 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.329 -6.609 5.594 1.00 0.36 C ATOM 2174 C GLY A 143 14.016 -7.686 6.632 1.00 0.57 C ATOM 2175 O GLY A 143 13.929 -7.379 7.815 1.00 -0.57 O ATOM 0 H GLY A 143 12.380 -6.046 5.144 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.474 -7.063 4.614 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.258 -6.100 5.850 1.00 0.36 H new ATOM 2179 N ASN A 144 13.824 -8.930 6.174 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.606 -10.146 6.974 1.00 0.36 C ATOM 2181 C ASN A 144 13.150 -11.267 6.038 1.00 0.57 C ATOM 2182 O ASN A 144 13.689 -12.373 6.096 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.543 -9.973 8.088 1.00 0.06 C ATOM 2184 CG ASN A 144 13.105 -9.874 9.508 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.293 -10.074 9.774 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.221 -9.637 10.468 1.00 -0.80 N ATOM 0 H ASN A 144 13.816 -9.128 5.173 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.550 -10.378 7.467 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.963 -9.074 7.879 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.852 -10.815 8.045 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.520 -9.618 11.443 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.242 -9.474 10.231 1.00 -0.80 H new ATOM 2193 N GLY A 145 12.173 -10.958 5.176 1.00 -0.73 N ATOM 2194 CA GLY A 145 11.638 -11.876 4.180 1.00 0.36 C ATOM 2195 C GLY A 145 12.334 -11.674 2.836 1.00 0.57 C ATOM 2196 O GLY A 145 13.524 -11.363 2.791 1.00 -0.57 O ATOM 0 H GLY A 145 11.727 -10.041 5.157 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 11.773 -12.904 4.515 1.00 0.36 H new ATOM 0 HA3 GLY A 145 10.566 -11.716 4.068 1.00 0.36 H new ATOM 2200 N ASP A 146 11.586 -11.842 1.743 1.00 -0.73 N ATOM 2201 CA ASP A 146 12.081 -11.732 0.375 1.00 0.36 C ATOM 2202 C ASP A 146 11.152 -10.757 -0.356 1.00 0.57 C ATOM 2203 O ASP A 146 10.016 -11.110 -0.681 1.00 -0.57 O ATOM 2204 CB ASP A 146 12.126 -13.127 -0.260 1.00 0.06 C ATOM 2205 CG ASP A 146 12.472 -13.121 -1.755 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.577 -12.891 -2.552 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.720 -13.436 -2.091 1.00 -0.65 O ATOM 0 H ASP A 146 10.592 -12.064 1.790 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.099 -11.345 0.323 1.00 0.36 H new ATOM 0 HB2 ASP A 146 12.861 -13.733 0.270 1.00 0.06 H new ATOM 0 HB3 ASP A 146 11.158 -13.609 -0.124 1.00 0.06 H new ATOM 2213 N PRO A 147 11.571 -9.494 -0.558 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.769 -8.495 -1.240 1.00 0.36 C ATOM 2215 C PRO A 147 10.792 -8.764 -2.749 1.00 0.57 C ATOM 2216 O PRO A 147 11.384 -8.001 -3.512 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.343 -7.144 -0.815 1.00 0.00 C ATOM 2218 CG PRO A 147 12.814 -7.441 -0.524 1.00 0.00 C ATOM 2219 CD PRO A 147 12.840 -8.918 -0.130 1.00 0.30 C ATOM 0 HA PRO A 147 9.712 -8.518 -0.975 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.235 -6.399 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.833 -6.753 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.437 -7.253 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.194 -6.810 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.676 -9.430 -0.606 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.970 -9.028 0.947 1.00 0.30 H new ATOM 2227 N GLN A 148 10.188 -9.881 -3.162 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.053 -10.331 -4.545 1.00 0.36 C ATOM 2229 C GLN A 148 8.990 -11.440 -4.608 1.00 0.57 C ATOM 2230 O GLN A 148 8.071 -11.359 -5.423 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.420 -10.839 -5.061 1.00 0.00 C ATOM 2232 CG GLN A 148 12.028 -9.946 -6.155 1.00 0.06 C ATOM 2233 CD GLN A 148 13.535 -10.182 -6.308 1.00 0.57 C ATOM 2234 OE1 GLN A 148 14.316 -10.022 -5.373 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 13.998 -10.606 -7.477 1.00 -0.80 N ATOM 0 H GLN A 148 9.757 -10.529 -2.503 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.736 -9.505 -5.182 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.116 -10.901 -4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.300 -11.849 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.531 -10.144 -7.104 1.00 0.06 H new ATOM 0 HG3 GLN A 148 11.847 -8.899 -5.912 1.00 0.06 H new ATOM 0 HE21 GLN A 148 13.358 -10.742 -8.260 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 14.993 -10.796 -7.593 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.058 -12.442 -3.721 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.154 -13.601 -3.690 1.00 0.36 C ATOM 2246 C ASN A 149 6.762 -13.323 -3.086 1.00 0.57 C ATOM 2247 O ASN A 149 6.238 -14.152 -2.348 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.852 -14.821 -3.054 1.00 0.06 C ATOM 2249 CG ASN A 149 9.126 -14.752 -1.542 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.633 -13.898 -0.809 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 9.914 -15.693 -1.035 1.00 -0.80 N ATOM 0 H ASN A 149 9.763 -12.470 -2.984 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.935 -13.837 -4.731 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.241 -15.702 -3.249 1.00 0.06 H new ATOM 0 HB3 ASN A 149 9.803 -14.973 -3.565 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.111 -15.708 -0.034 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.322 -16.401 -1.646 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.159 -12.185 -3.449 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.874 -11.648 -2.987 1.00 0.36 C ATOM 2260 C PHE A 150 3.952 -12.604 -2.235 1.00 0.57 C ATOM 2261 O PHE A 150 3.757 -12.410 -1.040 1.00 -0.57 O ATOM 2262 CB PHE A 150 4.120 -11.075 -4.191 1.00 0.14 C ATOM 2263 CG PHE A 150 4.389 -9.615 -4.343 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.506 -9.161 -5.062 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.517 -8.715 -3.716 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.739 -7.788 -5.182 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.740 -7.350 -3.859 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.831 -6.893 -4.603 1.00 -0.15 C ATOM 0 H PHE A 150 6.594 -11.564 -4.131 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.143 -10.895 -2.246 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.421 -11.600 -5.097 1.00 0.14 H new ATOM 0 HB3 PHE A 150 3.050 -11.241 -4.067 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.181 -9.869 -5.520 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.684 -9.076 -3.131 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.606 -7.423 -5.713 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.069 -6.642 -3.395 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.976 -5.831 -4.734 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.363 -13.558 -2.982 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.429 -14.600 -2.552 1.00 0.36 C ATOM 2280 C LYS A 151 1.797 -14.289 -1.193 1.00 0.57 C ATOM 2281 O LYS A 151 2.239 -14.836 -0.179 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.128 -15.968 -2.544 1.00 0.00 C ATOM 2283 CG LYS A 151 3.337 -16.594 -3.930 1.00 0.00 C ATOM 2284 CD LYS A 151 4.560 -16.070 -4.706 1.00 0.00 C ATOM 2285 CE LYS A 151 5.312 -17.217 -5.391 1.00 0.50 C ATOM 2286 NZ LYS A 151 4.485 -17.908 -6.404 1.00 -0.85 N ATOM 0 H LYS A 151 3.548 -13.619 -3.983 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.611 -14.629 -3.272 1.00 0.36 H new ATOM 0 HB2 LYS A 151 4.098 -15.861 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.542 -16.656 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.436 -17.673 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.444 -16.419 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.237 -15.345 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.231 -15.547 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 151 6.212 -16.826 -5.866 1.00 0.50 H new ATOM 0 HE3 LYS A 151 5.636 -17.936 -4.639 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.058 -18.630 -6.886 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 3.674 -18.363 -5.938 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.141 -17.217 -7.101 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.787 -13.400 -1.218 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.033 -12.909 -0.064 1.00 0.36 C ATOM 2302 C LEU A 152 -0.052 -14.008 1.007 1.00 0.57 C ATOM 2303 O LEU A 152 -0.560 -15.098 0.727 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.385 -12.450 -0.476 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.533 -11.232 -1.415 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.571 -11.675 -2.884 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.842 -10.465 -1.156 1.00 0.00 C ATOM 0 H LEU A 152 0.463 -12.987 -2.092 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.557 -12.046 0.346 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.879 -13.296 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.939 -12.231 0.437 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.673 -10.593 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.676 -10.800 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.647 -12.197 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.418 -12.343 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.907 -9.616 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.691 -11.128 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.856 -10.106 -0.127 1.00 0.00 H new ATOM 2319 N SER A 153 0.521 -13.757 2.192 1.00 -0.73 N ATOM 2320 CA SER A 153 0.813 -14.813 3.155 1.00 0.36 C ATOM 2321 C SER A 153 -0.353 -14.985 4.131 1.00 0.57 C ATOM 2322 O SER A 153 -1.244 -15.794 3.864 1.00 -0.57 O ATOM 2323 CB SER A 153 2.157 -14.515 3.842 1.00 0.28 C ATOM 2324 OG SER A 153 2.215 -13.159 4.224 1.00 -0.68 O ATOM 0 H SER A 153 0.791 -12.824 2.503 1.00 -0.73 H new ATOM 0 HA SER A 153 0.919 -15.773 2.649 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.276 -15.153 4.718 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.980 -14.746 3.165 1.00 0.28 H new ATOM 0 HG SER A 153 3.107 -12.956 4.574 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.370 -14.230 5.237 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.458 -14.276 6.216 1.00 0.36 C ATOM 2332 C GLN A 154 -1.813 -12.894 6.725 1.00 0.57 C ATOM 2333 O GLN A 154 -2.992 -12.640 6.895 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.148 -15.135 7.452 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.696 -16.578 7.171 1.00 0.06 C ATOM 2336 CD GLN A 154 0.741 -16.852 7.616 1.00 0.57 C ATOM 2337 OE1 GLN A 154 1.588 -15.970 7.654 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 1.044 -18.095 7.962 1.00 -0.80 N ATOM 0 H GLN A 154 0.371 -13.571 5.476 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.286 -14.724 5.666 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.370 -14.637 8.031 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -2.039 -15.169 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.367 -17.269 7.682 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -0.784 -16.779 6.103 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.330 -18.823 7.927 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 1.991 -18.324 8.264 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.855 -12.002 6.961 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.133 -10.620 7.338 1.00 0.36 C ATOM 2349 C ASP A 155 -1.966 -9.922 6.268 1.00 0.57 C ATOM 2350 O ASP A 155 -2.884 -9.165 6.593 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.195 -9.887 7.548 1.00 0.06 C ATOM 2352 CG ASP A 155 1.101 -9.902 6.324 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.487 -8.838 5.869 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.469 -11.087 5.845 1.00 -0.65 O ATOM 0 H ASP A 155 0.140 -12.219 6.896 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.708 -10.608 8.264 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.010 -8.853 7.825 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.723 -10.342 8.386 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.676 -10.248 5.008 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.417 -9.757 3.864 1.00 0.36 C ATOM 2362 C ASP A 156 -3.794 -10.426 3.834 1.00 0.57 C ATOM 2363 O ASP A 156 -4.795 -9.728 3.975 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.609 -10.031 2.583 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.551 -8.837 1.625 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.694 -8.835 0.757 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -2.452 -7.871 1.781 1.00 -0.65 O ATOM 0 H ASP A 156 -0.907 -10.870 4.758 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.572 -8.680 3.934 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.593 -10.314 2.858 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.047 -10.882 2.062 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.845 -11.770 3.753 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.088 -12.556 3.676 1.00 0.36 C ATOM 2375 C ILE A 157 -6.018 -12.187 4.828 1.00 0.57 C ATOM 2376 O ILE A 157 -7.200 -11.994 4.598 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.798 -14.089 3.632 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.681 -14.647 2.201 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.877 -14.970 4.300 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.633 -13.941 1.354 1.00 0.00 C ATOM 0 H ILE A 157 -3.006 -12.349 3.739 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.592 -12.308 2.742 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.856 -14.147 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.439 -15.708 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.650 -14.565 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.591 -16.019 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.970 -14.697 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.833 -14.816 3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.607 -14.388 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.885 -12.884 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.655 -14.045 1.824 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.506 -12.098 6.060 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.282 -11.804 7.256 1.00 0.36 C ATOM 2394 C LYS A 158 -6.844 -10.394 7.170 1.00 0.57 C ATOM 2395 O LYS A 158 -8.037 -10.222 7.408 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.379 -11.980 8.487 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.048 -11.692 9.842 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.797 -12.814 10.857 1.00 0.00 C ATOM 2399 CE LYS A 158 -6.791 -13.962 10.654 1.00 0.50 C ATOM 2400 NZ LYS A 158 -6.501 -15.072 11.582 1.00 -0.85 N ATOM 0 H LYS A 158 -4.513 -12.233 6.251 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.125 -12.490 7.343 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -5.002 -13.003 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.516 -11.323 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.669 -10.751 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.121 -11.568 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.778 -13.186 10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -5.889 -12.422 11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -7.807 -13.603 10.815 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.738 -14.318 9.625 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -6.575 -15.977 11.075 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.538 -14.965 11.961 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -7.185 -15.057 12.365 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.015 -9.407 6.809 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.480 -8.042 6.619 1.00 0.36 C ATOM 2416 C GLY A 159 -7.571 -8.006 5.552 1.00 0.57 C ATOM 2417 O GLY A 159 -8.664 -7.520 5.828 1.00 -0.57 O ATOM 0 H GLY A 159 -5.017 -9.537 6.644 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.866 -7.646 7.559 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.648 -7.404 6.322 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.308 -8.593 4.381 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.250 -8.674 3.271 1.00 0.36 C ATOM 2423 C ILE A 160 -9.547 -9.359 3.705 1.00 0.57 C ATOM 2424 O ILE A 160 -10.613 -8.767 3.564 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.553 -9.347 2.056 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.063 -8.301 1.038 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.375 -10.425 1.339 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.191 -7.557 0.313 1.00 0.00 C ATOM 0 H ILE A 160 -6.411 -9.034 4.178 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.548 -7.675 2.953 1.00 0.36 H new ATOM 0 HB ILE A 160 -6.704 -9.869 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.435 -7.574 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.435 -8.796 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -7.798 -10.830 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -8.614 -11.226 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.298 -9.987 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.763 -6.839 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.806 -8.272 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.807 -7.031 1.042 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.471 -10.567 4.269 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.617 -11.340 4.720 1.00 0.36 C ATOM 2442 C GLN A 161 -11.420 -10.525 5.711 1.00 0.57 C ATOM 2443 O GLN A 161 -12.637 -10.480 5.597 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.171 -12.667 5.354 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.031 -13.800 4.322 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.252 -14.733 4.331 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.394 -14.306 4.484 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -11.032 -16.040 4.254 1.00 -0.80 N ATOM 0 H GLN A 161 -8.582 -11.042 4.426 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.241 -11.575 3.858 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.216 -12.521 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.893 -12.962 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -9.907 -13.372 3.327 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.131 -14.377 4.535 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.083 -16.391 4.127 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -11.812 -16.693 4.322 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.766 -9.839 6.653 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.470 -8.979 7.587 1.00 0.36 C ATOM 2459 C LYS A 162 -12.131 -7.792 6.860 1.00 0.57 C ATOM 2460 O LYS A 162 -13.249 -7.430 7.213 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.494 -8.550 8.697 1.00 0.00 C ATOM 2462 CG LYS A 162 -11.238 -8.140 9.971 1.00 0.00 C ATOM 2463 CD LYS A 162 -11.537 -9.318 10.907 1.00 0.00 C ATOM 2464 CE LYS A 162 -12.664 -8.947 11.883 1.00 0.50 C ATOM 2465 NZ LYS A 162 -12.178 -8.619 13.246 1.00 -0.85 N ATOM 0 H LYS A 162 -9.755 -9.867 6.783 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.291 -9.522 8.056 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.812 -9.371 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.885 -7.717 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.644 -7.401 10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.176 -7.657 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -11.825 -10.192 10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.639 -9.588 11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -13.213 -8.093 11.485 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -13.368 -9.777 11.946 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -12.986 -8.378 13.854 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -11.678 -9.440 13.643 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -11.528 -7.809 13.197 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.489 -7.228 5.825 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.978 -6.098 5.022 1.00 0.36 C ATOM 2481 C LEU A 163 -13.353 -6.378 4.408 1.00 0.57 C ATOM 2482 O LEU A 163 -14.235 -5.522 4.499 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.946 -5.755 3.918 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.928 -4.280 3.473 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.545 -3.938 2.907 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.989 -3.968 2.407 1.00 0.00 C ATOM 0 H LEU A 163 -10.577 -7.561 5.512 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.096 -5.242 5.687 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -9.952 -6.022 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.149 -6.378 3.047 1.00 0.00 H new ATOM 0 HG LEU A 163 -11.155 -3.677 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.529 -2.895 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.788 -4.096 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.333 -4.579 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -11.930 -2.915 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.811 -4.584 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.980 -4.183 2.806 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.542 -7.562 3.806 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.807 -7.950 3.159 1.00 0.36 C ATOM 2500 C TYR A 164 -15.612 -8.958 3.992 1.00 0.57 C ATOM 2501 O TYR A 164 -16.623 -9.495 3.524 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.559 -8.433 1.718 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.013 -9.848 1.539 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.632 -10.092 1.623 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.874 -10.911 1.199 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.105 -11.374 1.390 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.359 -12.203 0.967 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -12.967 -12.441 1.071 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.450 -13.687 0.862 1.00 -0.53 O ATOM 0 H TYR A 164 -12.820 -8.281 3.753 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.432 -7.059 3.101 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.500 -8.363 1.172 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.863 -7.740 1.245 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.964 -9.281 1.871 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.936 -10.735 1.116 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.040 -11.541 1.456 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.027 -13.012 0.710 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.176 -14.311 0.653 1.00 -0.53 H new ATOM 2519 N GLY A 165 -15.160 -9.208 5.222 1.00 -0.73 N ATOM 2520 CA GLY A 165 -15.611 -10.302 6.057 1.00 0.36 C ATOM 2521 C GLY A 165 -16.603 -9.827 7.101 1.00 0.57 C ATOM 2522 O GLY A 165 -17.253 -8.790 6.967 1.00 -0.57 O ATOM 0 H GLY A 165 -14.448 -8.632 5.671 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -16.073 -11.069 5.436 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -14.755 -10.763 6.549 1.00 0.36 H new ATOM 2526 N LYS A 166 -16.727 -10.646 8.146 1.00 -0.73 N ATOM 2527 CA LYS A 166 -17.691 -10.452 9.226 1.00 0.36 C ATOM 2528 C LYS A 166 -17.088 -10.830 10.582 1.00 0.57 C ATOM 2529 O LYS A 166 -17.293 -10.111 11.554 1.00 -0.57 O ATOM 2530 CB LYS A 166 -18.932 -11.317 8.943 1.00 0.00 C ATOM 2531 CG LYS A 166 -19.889 -10.813 7.843 1.00 0.00 C ATOM 2532 CD LYS A 166 -21.080 -9.994 8.371 1.00 0.00 C ATOM 2533 CE LYS A 166 -20.856 -8.475 8.320 1.00 0.50 C ATOM 2534 NZ LYS A 166 -21.911 -7.796 7.539 1.00 -0.85 N ATOM 0 H LYS A 166 -16.149 -11.478 8.266 1.00 -0.73 H new ATOM 0 HA LYS A 166 -17.968 -9.399 9.268 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -18.595 -12.317 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -19.498 -11.414 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -19.325 -10.201 7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -20.269 -11.670 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -21.967 -10.241 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -21.284 -10.288 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -20.838 -8.075 9.334 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -19.882 -8.265 7.877 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -21.728 -6.772 7.525 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -21.911 -8.161 6.565 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -22.837 -7.977 7.976 1.00 -0.85 H new ATOM 2548 N ARG A 167 -16.350 -11.949 10.671 1.00 -0.73 N ATOM 2549 CA ARG A 167 -15.720 -12.419 11.903 1.00 0.36 C ATOM 2550 C ARG A 167 -14.579 -13.369 11.543 1.00 0.57 C ATOM 2551 O ARG A 167 -14.747 -14.185 10.628 1.00 -0.57 O ATOM 2552 CB ARG A 167 -16.734 -13.092 12.863 1.00 0.00 C ATOM 2553 CG ARG A 167 -17.479 -14.345 12.353 1.00 0.00 C ATOM 2554 CD ARG A 167 -18.718 -14.002 11.517 1.00 0.33 C ATOM 2555 NE ARG A 167 -19.317 -15.187 10.879 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -18.905 -15.753 9.735 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -17.801 -15.301 9.127 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -19.604 -16.764 9.217 1.00 -0.97 N ATOM 0 H ARG A 167 -16.175 -12.558 9.872 1.00 -0.73 H new ATOM 0 HA ARG A 167 -15.323 -11.558 12.441 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -16.203 -13.365 13.775 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -17.480 -12.347 13.140 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -16.797 -14.948 11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -17.779 -14.955 13.205 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -19.461 -13.523 12.155 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -18.444 -13.279 10.748 1.00 0.33 H new ATOM 0 HE ARG A 167 -20.115 -15.615 11.349 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -17.275 -14.528 9.534 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -17.486 -15.730 8.257 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -20.443 -17.099 9.690 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -19.300 -17.202 8.347 1.00 -0.97 H new ATOM 2572 N SER A 168 -13.459 -13.247 12.274 1.00 -0.73 N ATOM 2573 CA SER A 168 -12.178 -13.929 12.056 1.00 0.36 C ATOM 2574 C SER A 168 -11.077 -13.284 12.923 1.00 0.57 C ATOM 2575 O SER A 168 -10.130 -12.691 12.405 1.00 -0.57 O ATOM 2576 CB SER A 168 -11.795 -14.005 10.560 1.00 0.28 C ATOM 2577 OG SER A 168 -12.063 -12.797 9.866 1.00 -0.68 O ATOM 0 H SER A 168 -13.425 -12.629 13.085 1.00 -0.73 H new ATOM 0 HA SER A 168 -12.288 -14.965 12.376 1.00 0.36 H new ATOM 0 HB2 SER A 168 -10.735 -14.243 10.472 1.00 0.28 H new ATOM 0 HB3 SER A 168 -12.345 -14.820 10.089 1.00 0.28 H new ATOM 0 HG SER A 168 -11.803 -12.895 8.926 1.00 -0.68 H new ATOM 2583 N ASN A 169 -11.209 -13.358 14.257 1.00 -0.73 N ATOM 2584 CA ASN A 169 -10.124 -12.964 15.165 1.00 0.36 C ATOM 2585 C ASN A 169 -9.238 -14.181 15.451 1.00 0.57 C ATOM 2586 O ASN A 169 -9.747 -15.295 15.576 1.00 -0.57 O ATOM 2587 CB ASN A 169 -10.656 -12.337 16.469 1.00 0.06 C ATOM 2588 CG ASN A 169 -11.288 -13.333 17.443 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -10.606 -13.982 18.223 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -12.610 -13.456 17.424 1.00 -0.80 N ATOM 0 H ASN A 169 -12.053 -13.686 14.727 1.00 -0.73 H new ATOM 0 HA ASN A 169 -9.529 -12.192 14.677 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -9.835 -11.827 16.973 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -11.395 -11.577 16.216 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -13.072 -14.100 18.067 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -13.164 -12.907 16.767 1.00 -0.80 H new ATOM 2597 N SER A 170 -7.921 -13.957 15.542 1.00 -0.73 N ATOM 2598 CA SER A 170 -6.923 -14.916 16.006 1.00 0.36 C ATOM 2599 C SER A 170 -5.595 -14.160 16.117 1.00 0.57 C ATOM 2600 O SER A 170 -5.359 -13.237 15.333 1.00 -0.57 O ATOM 2601 CB SER A 170 -6.778 -16.060 14.995 1.00 0.28 C ATOM 2602 OG SER A 170 -6.205 -17.227 15.544 1.00 -0.68 O ATOM 0 H SER A 170 -7.509 -13.061 15.282 1.00 -0.73 H new ATOM 0 HA SER A 170 -7.217 -15.344 16.964 1.00 0.36 H new ATOM 0 HB2 SER A 170 -7.760 -16.303 14.590 1.00 0.28 H new ATOM 0 HB3 SER A 170 -6.164 -15.721 14.161 1.00 0.28 H new ATOM 0 HG SER A 170 -6.142 -17.917 14.851 1.00 -0.68 H new ATOM 2608 N ARG A 171 -4.721 -14.566 17.045 1.00 -0.73 N ATOM 2609 CA ARG A 171 -3.389 -13.991 17.224 1.00 0.36 C ATOM 2610 C ARG A 171 -2.427 -15.118 17.581 1.00 0.57 C ATOM 2611 O ARG A 171 -2.731 -15.943 18.452 1.00 -0.57 O ATOM 2612 CB ARG A 171 -3.413 -12.893 18.315 1.00 0.00 C ATOM 2613 CG ARG A 171 -3.250 -11.481 17.716 1.00 0.00 C ATOM 2614 CD ARG A 171 -4.123 -10.432 18.420 1.00 0.33 C ATOM 2615 NE ARG A 171 -4.199 -9.201 17.613 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -5.170 -8.282 17.634 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -6.086 -8.250 18.602 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -5.218 -7.392 16.648 1.00 -0.97 N ATOM 0 H ARG A 171 -4.926 -15.318 17.703 1.00 -0.73 H new ATOM 0 HA ARG A 171 -3.056 -13.513 16.303 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -4.353 -12.948 18.864 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -2.613 -13.077 19.033 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -2.204 -11.181 17.783 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -3.506 -11.509 16.657 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -5.124 -10.832 18.580 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -3.709 -10.205 19.403 1.00 0.33 H new ATOM 0 HE ARG A 171 -3.427 -9.032 16.968 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -6.058 -8.939 19.354 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -6.815 -7.537 18.591 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -4.525 -7.421 15.900 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -5.948 -6.680 16.639 1.00 -0.97 H new ATOM 2632 N LYS A 172 -1.264 -15.116 16.914 1.00 -0.73 N ATOM 2633 CA LYS A 172 -0.220 -16.124 17.046 1.00 0.36 C ATOM 2634 C LYS A 172 1.071 -15.426 17.492 1.00 0.57 C ATOM 2635 O LYS A 172 1.310 -14.248 17.191 1.00 -0.57 O ATOM 2636 CB LYS A 172 -0.028 -16.867 15.705 1.00 0.00 C ATOM 2637 CG LYS A 172 0.705 -18.219 15.826 1.00 0.00 C ATOM 2638 CD LYS A 172 -0.165 -19.375 16.369 1.00 0.00 C ATOM 2639 CE LYS A 172 0.450 -20.018 17.626 1.00 0.50 C ATOM 2640 NZ LYS A 172 -0.294 -21.220 18.079 1.00 -0.85 N ATOM 0 H LYS A 172 -1.023 -14.384 16.246 1.00 -0.73 H new ATOM 0 HA LYS A 172 -0.499 -16.868 17.792 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -1.006 -17.037 15.254 1.00 0.00 H new ATOM 0 HB3 LYS A 172 0.530 -16.224 15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 172 1.087 -18.499 14.845 1.00 0.00 H new ATOM 0 HG3 LYS A 172 1.568 -18.093 16.480 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -1.161 -19.000 16.604 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -0.284 -20.133 15.595 1.00 0.00 H new ATOM 0 HE2 LYS A 172 1.484 -20.293 17.419 1.00 0.50 H new ATOM 0 HE3 LYS A 172 0.470 -19.284 18.431 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 0.163 -21.612 18.927 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 -1.275 -20.957 18.304 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 -0.292 -21.935 17.323 1.00 -0.85 H new ATOM 2654 N LYS A 173 1.872 -16.173 18.251 1.00 -0.73 N ATOM 2655 CA LYS A 173 3.223 -15.807 18.640 1.00 0.19 C ATOM 2656 CB LYS A 173 3.625 -16.619 19.891 1.00 0.00 C ATOM 2657 CG LYS A 173 3.956 -15.732 21.103 1.00 0.00 C ATOM 2658 CD LYS A 173 5.301 -15.010 20.940 1.00 0.00 C ATOM 2659 CE LYS A 173 5.533 -13.985 22.061 1.00 0.50 C ATOM 2660 NZ LYS A 173 5.583 -12.593 21.554 1.00 -0.85 N ATOM 0 H LYS A 173 1.584 -17.079 18.622 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 2.812 -17.296 20.154 1.00 0.00 H new ATOM 0 HB3 LYS A 173 4.491 -17.237 19.653 1.00 0.00 H new ATOM 0 HG2 LYS A 173 3.164 -14.996 21.240 1.00 0.00 H new ATOM 0 HG3 LYS A 173 3.981 -16.345 22.004 1.00 0.00 H new ATOM 0 HD2 LYS A 173 6.109 -15.741 20.942 1.00 0.00 H new ATOM 0 HD3 LYS A 173 5.329 -14.506 19.974 1.00 0.00 H new ATOM 0 HE2 LYS A 173 4.735 -14.071 22.799 1.00 0.50 H new ATOM 0 HE3 LYS A 173 6.467 -14.216 22.573 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 5.741 -11.940 22.348 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 6.360 -12.501 20.869 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 4.682 -12.360 21.089 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 12.973 7.284 4.781 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.638 10.668 0.194 1.00 2.00 CA HETATM 2677 ZN ZN A 176 2.760 12.888 3.771 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.233 -0.766 7.406 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 6.587 2.768 11.194 1.00 0.00 C HETATM 2680 C2 MDW A 178 5.690 3.806 11.433 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.619 4.318 12.693 1.00 0.00 O HETATM 2682 C7 MDW A 178 4.843 4.268 10.417 1.00 0.00 C HETATM 2683 O12 MDW A 178 3.938 5.287 10.680 1.00 0.00 O HETATM 2684 C13 MDW A 178 2.595 5.251 10.131 1.00 0.00 C HETATM 2685 C6 MDW A 178 4.925 3.685 9.148 1.00 0.00 C HETATM 2686 C5 MDW A 178 5.790 2.613 8.911 1.00 0.00 C HETATM 2687 C8 MDW A 178 5.754 1.927 7.552 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.412 1.258 7.344 1.00 0.00 C HETATM 2689 O15 MDW A 178 4.026 0.259 8.010 1.00 0.00 O HETATM 2690 N16 MDW A 178 3.628 1.845 6.407 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.473 1.193 6.008 1.00 0.00 O HETATM 2692 C4 MDW A 178 6.620 2.152 9.945 1.00 0.00 C HETATM 2693 C10 MDW A 178 7.545 0.976 9.729 1.00 0.00 C HETATM 2694 C11 MDW A 178 7.156 0.137 8.506 1.00 0.00 C HETATM 2695 N9 MDW A 178 6.885 0.985 7.332 1.00 0.00 N HETATM 2696 S18 MDW A 178 8.230 1.584 6.561 1.00 0.00 S HETATM 2697 O40 MDW A 178 8.038 3.035 6.339 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.477 1.138 7.251 1.00 0.00 O HETATM 2699 C19 MDW A 178 8.075 0.750 5.023 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.133 1.157 4.073 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.133 0.550 2.814 1.00 0.00 C HETATM 2702 C22 MDW A 178 8.079 -0.435 2.513 1.00 0.00 C HETATM 2703 O25 MDW A 178 8.099 -0.997 1.255 1.00 0.00 O HETATM 2704 C26 MDW A 178 8.550 -2.344 1.011 1.00 0.00 C HETATM 2705 C23 MDW A 178 8.997 -0.842 3.479 1.00 0.00 C HETATM 2706 C24 MDW A 178 8.972 -0.276 4.745 1.00 0.00 C HETATM 0 H48 MDW A 178 6.409 1.936 4.311 1.00 0.00 H new HETATM 0 H47 MDW A 178 9.587 -2.444 1.330 1.00 0.00 H new HETATM 0 H46 MDW A 178 7.929 -3.043 1.572 1.00 0.00 H new HETATM 0 H45 MDW A 178 8.475 -2.566 -0.054 1.00 0.00 H new HETATM 0 H44 MDW A 178 9.652 -0.633 5.518 1.00 0.00 H new HETATM 0 H43 MDW A 178 9.736 -1.607 3.239 1.00 0.00 H new HETATM 0 H42 MDW A 178 6.396 0.844 2.067 1.00 0.00 H new HETATM 0 H39 MDW A 178 2.558 0.922 5.070 1.00 0.00 H new HETATM 0 H38 MDW A 178 3.883 2.747 6.005 1.00 0.00 H new HETATM 0 H37 MDW A 178 2.647 5.232 9.042 1.00 0.00 H new HETATM 0 H36 MDW A 178 2.081 4.357 10.485 1.00 0.00 H new HETATM 0 H35 MDW A 178 2.047 6.136 10.453 1.00 0.00 H new HETATM 0 H34 MDW A 178 7.959 -0.562 8.273 1.00 0.00 H new HETATM 0 H33 MDW A 178 6.273 -0.458 8.738 1.00 0.00 H new HETATM 0 H32 MDW A 178 8.565 1.339 9.606 1.00 0.00 H new HETATM 0 H31 MDW A 178 7.536 0.344 10.617 1.00 0.00 H new HETATM 0 H30 MDW A 178 5.882 2.703 6.797 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.308 4.071 8.336 1.00 0.00 H new HETATM 0 H28 MDW A 178 7.262 2.438 11.983 1.00 0.00 H new HETATM 0 H27 MDW A 178 5.078 5.135 12.684 1.00 0.00 H new