USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -0.305 K(o=-0.62,f=-3!) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= -0.313 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.0376 USER MOD Set 2.2: A 33 SER OG : rot 110:sc= 0.493 USER MOD Set 2.3: A 44 GLN : amide:sc= -0.195 K(o=0.34,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc=-0.00655 (180deg=-0.179) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.687 K(o=-0.69,f=-1.6) USER MOD Single : A 13 THR OG1 : rot -119:sc= 0.181 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.98) USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00922 F(o=-1.2!,f=-0.0092) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 133:sc= 1.06 USER MOD Single : A 48 GLN : amide:sc= -3.02! C(o=-3!,f=-5.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.786 X(o=-0.79,f=-0.96!) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.0881 (180deg=-0.389) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -34:sc= -0.0385 USER MOD Single : A 83 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.757 -10.022 -8.449 1.00 5.75 N ATOM 2 CA GLY A 1 9.296 -10.019 -8.216 1.00 5.18 C ATOM 3 C GLY A 1 8.582 -9.104 -9.182 1.00 4.19 C ATOM 4 O GLY A 1 9.219 -8.461 -10.016 1.00 4.26 O ATOM 0 H1 GLY A 1 11.077 -10.994 -8.631 1.00 5.75 H new ATOM 0 H2 GLY A 1 10.979 -9.424 -9.271 1.00 5.75 H new ATOM 0 H3 GLY A 1 11.243 -9.649 -7.609 1.00 5.75 H new ATOM 0 HA2 GLY A 1 8.908 -11.032 -8.319 1.00 5.18 H new ATOM 0 HA3 GLY A 1 9.090 -9.702 -7.194 1.00 5.18 H new ATOM 10 N SER A 2 7.263 -9.039 -9.073 1.00 3.74 N ATOM 11 CA SER A 2 6.465 -8.207 -9.961 1.00 3.26 C ATOM 12 C SER A 2 6.379 -6.777 -9.436 1.00 2.09 C ATOM 13 O SER A 2 6.092 -5.842 -10.187 1.00 2.28 O ATOM 14 CB SER A 2 5.067 -8.809 -10.121 1.00 4.10 C ATOM 15 OG SER A 2 4.509 -9.145 -8.861 1.00 4.66 O ATOM 0 H SER A 2 6.722 -9.553 -8.377 1.00 3.74 H new ATOM 0 HA SER A 2 6.949 -8.175 -10.937 1.00 3.26 H new ATOM 0 HB2 SER A 2 4.418 -8.098 -10.632 1.00 4.10 H new ATOM 0 HB3 SER A 2 5.120 -9.699 -10.748 1.00 4.10 H new ATOM 0 HG SER A 2 3.615 -9.526 -8.990 1.00 4.66 H new ATOM 21 N GLY A 3 6.635 -6.609 -8.147 1.00 1.60 N ATOM 22 CA GLY A 3 6.581 -5.291 -7.553 1.00 1.30 C ATOM 23 C GLY A 3 7.547 -5.136 -6.402 1.00 1.09 C ATOM 24 O GLY A 3 8.638 -4.585 -6.564 1.00 1.32 O ATOM 0 H GLY A 3 6.879 -7.362 -7.503 1.00 1.60 H new ATOM 0 HA2 GLY A 3 6.805 -4.543 -8.314 1.00 1.30 H new ATOM 0 HA3 GLY A 3 5.568 -5.095 -7.202 1.00 1.30 H new ATOM 28 N TRP A 4 7.156 -5.634 -5.239 1.00 0.81 N ATOM 29 CA TRP A 4 7.957 -5.481 -4.039 1.00 0.60 C ATOM 30 C TRP A 4 8.349 -6.823 -3.449 1.00 0.62 C ATOM 31 O TRP A 4 7.686 -7.837 -3.673 1.00 0.74 O ATOM 32 CB TRP A 4 7.196 -4.661 -3.003 1.00 0.45 C ATOM 33 CG TRP A 4 7.047 -3.230 -3.397 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.890 -2.566 -3.680 1.00 0.42 C ATOM 35 CD2 TRP A 4 8.107 -2.292 -3.577 1.00 0.36 C ATOM 36 NE1 TRP A 4 6.168 -1.261 -4.002 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.522 -1.070 -3.946 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.495 -2.368 -3.451 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.281 0.066 -4.190 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.247 -1.238 -3.696 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.639 -0.034 -4.059 1.00 0.52 C ATOM 0 H TRP A 4 6.286 -6.149 -5.103 1.00 0.81 H new ATOM 0 HA TRP A 4 8.872 -4.959 -4.317 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.208 -5.097 -2.855 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.716 -4.718 -2.047 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.902 -3.002 -3.655 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.478 -0.550 -4.244 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.971 -3.295 -3.167 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.815 0.998 -4.474 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.322 -1.285 -3.606 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.253 0.836 -4.240 1.00 0.52 H new ATOM 52 N GLU A 5 9.438 -6.813 -2.694 1.00 0.66 N ATOM 53 CA GLU A 5 9.944 -8.016 -2.064 1.00 0.73 C ATOM 54 C GLU A 5 9.167 -8.308 -0.789 1.00 0.67 C ATOM 55 O GLU A 5 9.217 -7.537 0.171 1.00 0.78 O ATOM 56 CB GLU A 5 11.432 -7.861 -1.743 1.00 0.96 C ATOM 57 CG GLU A 5 12.266 -7.410 -2.929 1.00 1.49 C ATOM 58 CD GLU A 5 13.753 -7.518 -2.668 1.00 2.14 C ATOM 59 OE1 GLU A 5 14.257 -6.841 -1.746 1.00 2.65 O ATOM 60 OE2 GLU A 5 14.425 -8.290 -3.385 1.00 2.73 O ATOM 0 H GLU A 5 9.989 -5.976 -2.504 1.00 0.66 H new ATOM 0 HA GLU A 5 9.817 -8.849 -2.755 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.547 -7.140 -0.933 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.818 -8.813 -1.379 1.00 0.96 H new ATOM 0 HG2 GLU A 5 12.009 -8.013 -3.800 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.017 -6.377 -3.172 1.00 1.49 H new ATOM 67 N SER A 6 8.459 -9.428 -0.778 1.00 0.74 N ATOM 68 CA SER A 6 7.653 -9.818 0.370 1.00 0.87 C ATOM 69 C SER A 6 8.482 -10.626 1.368 1.00 0.88 C ATOM 70 O SER A 6 7.938 -11.383 2.172 1.00 0.90 O ATOM 71 CB SER A 6 6.442 -10.628 -0.097 1.00 1.16 C ATOM 72 OG SER A 6 5.698 -9.909 -1.069 1.00 1.75 O ATOM 0 H SER A 6 8.427 -10.086 -1.556 1.00 0.74 H new ATOM 0 HA SER A 6 7.305 -8.916 0.873 1.00 0.87 H new ATOM 0 HB2 SER A 6 6.774 -11.578 -0.516 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.804 -10.862 0.756 1.00 1.16 H new ATOM 0 HG SER A 6 4.929 -10.445 -1.355 1.00 1.75 H new ATOM 78 N LYS A 7 9.800 -10.430 1.313 1.00 0.95 N ATOM 79 CA LYS A 7 10.753 -11.116 2.187 1.00 1.09 C ATOM 80 C LYS A 7 10.318 -11.091 3.647 1.00 1.03 C ATOM 81 O LYS A 7 10.311 -12.121 4.328 1.00 1.09 O ATOM 82 CB LYS A 7 12.130 -10.452 2.060 1.00 1.37 C ATOM 83 CG LYS A 7 13.081 -10.772 3.206 1.00 1.65 C ATOM 84 CD LYS A 7 13.420 -12.248 3.255 1.00 2.11 C ATOM 85 CE LYS A 7 14.443 -12.555 4.340 1.00 2.79 C ATOM 86 NZ LYS A 7 15.765 -11.931 4.060 1.00 3.24 N ATOM 0 H LYS A 7 10.240 -9.786 0.656 1.00 0.95 H new ATOM 0 HA LYS A 7 10.797 -12.158 1.871 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.588 -10.767 1.123 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.997 -9.372 2.003 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.997 -10.192 3.092 1.00 1.65 H new ATOM 0 HG3 LYS A 7 12.628 -10.471 4.150 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.513 -12.824 3.437 1.00 2.11 H new ATOM 0 HD3 LYS A 7 13.810 -12.564 2.287 1.00 2.11 H new ATOM 0 HE2 LYS A 7 14.070 -12.197 5.300 1.00 2.79 H new ATOM 0 HE3 LYS A 7 14.564 -13.635 4.428 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 16.482 -12.338 4.694 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 16.033 -12.113 3.072 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 15.705 -10.905 4.219 1.00 3.24 H new ATOM 100 N THR A 8 9.961 -9.911 4.117 1.00 1.01 N ATOM 101 CA THR A 8 9.656 -9.702 5.520 1.00 1.08 C ATOM 102 C THR A 8 8.441 -10.528 5.974 1.00 0.93 C ATOM 103 O THR A 8 8.272 -10.799 7.162 1.00 1.03 O ATOM 104 CB THR A 8 9.410 -8.207 5.800 1.00 1.25 C ATOM 105 OG1 THR A 8 10.353 -7.423 5.056 1.00 2.05 O ATOM 106 CG2 THR A 8 9.559 -7.899 7.281 1.00 1.66 C ATOM 0 H THR A 8 9.874 -9.074 3.541 1.00 1.01 H new ATOM 0 HA THR A 8 10.520 -10.040 6.092 1.00 1.08 H new ATOM 0 HB THR A 8 8.393 -7.961 5.495 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.198 -6.471 5.231 1.00 2.05 H new ATOM 0 HG21 THR A 8 9.380 -6.837 7.452 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.836 -8.484 7.849 1.00 1.66 H new ATOM 0 HG23 THR A 8 10.568 -8.154 7.606 1.00 1.66 H new ATOM 114 N GLY A 9 7.604 -10.933 5.013 1.00 0.79 N ATOM 115 CA GLY A 9 6.468 -11.793 5.313 1.00 0.79 C ATOM 116 C GLY A 9 5.356 -11.081 6.060 1.00 0.69 C ATOM 117 O GLY A 9 4.474 -11.720 6.629 1.00 0.88 O ATOM 0 H GLY A 9 7.695 -10.678 4.030 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.070 -12.196 4.381 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.810 -12.641 5.907 1.00 0.79 H new ATOM 121 N SER A 10 5.392 -9.761 6.047 1.00 0.61 N ATOM 122 CA SER A 10 4.445 -8.960 6.809 1.00 0.73 C ATOM 123 C SER A 10 3.139 -8.725 6.043 1.00 0.64 C ATOM 124 O SER A 10 2.171 -8.211 6.603 1.00 0.73 O ATOM 125 CB SER A 10 5.086 -7.619 7.165 1.00 0.96 C ATOM 126 OG SER A 10 6.360 -7.803 7.766 1.00 1.72 O ATOM 0 H SER A 10 6.070 -9.216 5.514 1.00 0.61 H new ATOM 0 HA SER A 10 4.195 -9.511 7.716 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.189 -7.012 6.266 1.00 0.96 H new ATOM 0 HB3 SER A 10 4.435 -7.071 7.846 1.00 0.96 H new ATOM 0 HG SER A 10 6.749 -6.930 7.982 1.00 1.72 H new ATOM 132 N CYS A 11 3.103 -9.099 4.767 1.00 0.52 N ATOM 133 CA CYS A 11 1.974 -8.731 3.919 1.00 0.44 C ATOM 134 C CYS A 11 1.455 -9.932 3.131 1.00 0.41 C ATOM 135 O CYS A 11 2.238 -10.752 2.646 1.00 0.43 O ATOM 136 CB CYS A 11 2.434 -7.619 2.976 1.00 0.41 C ATOM 137 SG CYS A 11 3.699 -6.554 3.733 1.00 1.19 S ATOM 0 H CYS A 11 3.828 -9.647 4.304 1.00 0.52 H new ATOM 0 HA CYS A 11 1.148 -8.381 4.539 1.00 0.44 H new ATOM 0 HB2 CYS A 11 2.833 -8.061 2.063 1.00 0.41 H new ATOM 0 HB3 CYS A 11 1.576 -7.012 2.687 1.00 0.41 H new ATOM 142 N ASN A 12 0.134 -10.023 2.993 1.00 0.46 N ATOM 143 CA ASN A 12 -0.492 -11.175 2.348 1.00 0.53 C ATOM 144 C ASN A 12 -0.715 -10.948 0.857 1.00 0.47 C ATOM 145 O ASN A 12 -0.692 -11.893 0.073 1.00 0.57 O ATOM 146 CB ASN A 12 -1.827 -11.535 3.026 1.00 0.69 C ATOM 147 CG ASN A 12 -2.963 -10.580 2.709 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.717 -10.796 1.761 1.00 1.66 O ATOM 149 ND2 ASN A 12 -3.105 -9.531 3.500 1.00 1.03 N ATOM 0 H ASN A 12 -0.523 -9.314 3.319 1.00 0.46 H new ATOM 0 HA ASN A 12 0.201 -12.009 2.462 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.117 -12.541 2.721 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.678 -11.560 4.106 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -3.860 -8.866 3.334 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -2.459 -9.386 4.276 1.00 1.03 H new ATOM 156 N THR A 13 -0.933 -9.704 0.464 1.00 0.38 N ATOM 157 CA THR A 13 -1.268 -9.408 -0.919 1.00 0.37 C ATOM 158 C THR A 13 -0.024 -9.098 -1.736 1.00 0.35 C ATOM 159 O THR A 13 0.051 -9.408 -2.923 1.00 0.44 O ATOM 160 CB THR A 13 -2.228 -8.211 -1.005 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.605 -7.054 -0.428 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.530 -8.513 -0.279 1.00 0.52 C ATOM 0 H THR A 13 -0.885 -8.890 1.076 1.00 0.38 H new ATOM 0 HA THR A 13 -1.751 -10.296 -1.327 1.00 0.37 H new ATOM 0 HB THR A 13 -2.455 -8.019 -2.054 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.137 -6.742 0.334 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.195 -7.653 -0.352 1.00 0.52 H new ATOM 0 HG22 THR A 13 -4.008 -9.381 -0.734 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.321 -8.722 0.770 1.00 0.52 H new ATOM 170 N GLY A 14 0.962 -8.510 -1.080 1.00 0.29 N ATOM 171 CA GLY A 14 2.166 -8.108 -1.769 1.00 0.31 C ATOM 172 C GLY A 14 2.084 -6.681 -2.268 1.00 0.30 C ATOM 173 O GLY A 14 2.994 -6.201 -2.942 1.00 0.43 O ATOM 0 H GLY A 14 0.949 -8.304 -0.081 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.019 -8.209 -1.098 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.342 -8.777 -2.611 1.00 0.31 H new ATOM 177 N LYS A 15 0.997 -5.997 -1.932 1.00 0.24 N ATOM 178 CA LYS A 15 0.840 -4.601 -2.309 1.00 0.25 C ATOM 179 C LYS A 15 1.473 -3.705 -1.252 1.00 0.24 C ATOM 180 O LYS A 15 0.816 -3.278 -0.308 1.00 0.25 O ATOM 181 CB LYS A 15 -0.643 -4.251 -2.486 1.00 0.31 C ATOM 182 CG LYS A 15 -1.288 -4.901 -3.702 1.00 0.41 C ATOM 183 CD LYS A 15 -2.724 -4.434 -3.887 1.00 0.57 C ATOM 184 CE LYS A 15 -3.333 -4.970 -5.176 1.00 0.69 C ATOM 185 NZ LYS A 15 -3.574 -6.434 -5.118 1.00 1.64 N ATOM 0 H LYS A 15 0.216 -6.385 -1.402 1.00 0.24 H new ATOM 0 HA LYS A 15 1.344 -4.438 -3.262 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.187 -4.555 -1.592 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.744 -3.169 -2.568 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.709 -4.662 -4.594 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.268 -5.985 -3.590 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.324 -4.761 -3.038 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.753 -3.344 -3.897 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.274 -4.456 -5.372 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -2.668 -4.746 -6.010 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -3.989 -6.753 -6.017 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -2.673 -6.928 -4.958 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.229 -6.647 -4.339 1.00 1.64 H new ATOM 199 N LEU A 16 2.759 -3.444 -1.412 1.00 0.26 N ATOM 200 CA LEU A 16 3.493 -2.589 -0.497 1.00 0.30 C ATOM 201 C LEU A 16 3.511 -1.162 -1.021 1.00 0.33 C ATOM 202 O LEU A 16 3.743 -0.934 -2.208 1.00 0.55 O ATOM 203 CB LEU A 16 4.929 -3.104 -0.323 1.00 0.35 C ATOM 204 CG LEU A 16 5.092 -4.354 0.550 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.390 -5.540 -0.066 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.564 -4.661 0.784 1.00 0.43 C ATOM 0 H LEU A 16 3.321 -3.817 -2.177 1.00 0.26 H new ATOM 0 HA LEU A 16 2.996 -2.605 0.473 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.340 -3.318 -1.310 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.532 -2.304 0.106 1.00 0.35 H new ATOM 0 HG LEU A 16 4.628 -4.152 1.515 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.521 -6.413 0.573 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.327 -5.321 -0.167 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.814 -5.743 -1.049 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.656 -5.552 1.406 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.056 -4.834 -0.173 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.036 -3.817 1.287 1.00 0.43 H new ATOM 218 N ALA A 17 3.257 -0.210 -0.145 1.00 0.27 N ATOM 219 CA ALA A 17 3.275 1.192 -0.521 1.00 0.27 C ATOM 220 C ALA A 17 3.710 2.049 0.658 1.00 0.24 C ATOM 221 O ALA A 17 3.452 1.712 1.815 1.00 0.28 O ATOM 222 CB ALA A 17 1.905 1.622 -1.024 1.00 0.29 C ATOM 0 H ALA A 17 3.035 -0.382 0.836 1.00 0.27 H new ATOM 0 HA ALA A 17 3.994 1.329 -1.328 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.934 2.676 -1.302 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.633 1.024 -1.894 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.166 1.475 -0.237 1.00 0.29 H new ATOM 228 N CYS A 18 4.408 3.132 0.367 1.00 0.26 N ATOM 229 CA CYS A 18 4.818 4.070 1.396 1.00 0.26 C ATOM 230 C CYS A 18 3.742 5.122 1.599 1.00 0.24 C ATOM 231 O CYS A 18 3.624 6.074 0.828 1.00 0.32 O ATOM 232 CB CYS A 18 6.145 4.715 1.021 1.00 0.36 C ATOM 233 SG CYS A 18 7.531 3.537 0.983 1.00 0.74 S ATOM 0 H CYS A 18 4.703 3.384 -0.576 1.00 0.26 H new ATOM 0 HA CYS A 18 4.954 3.533 2.335 1.00 0.26 H new ATOM 0 HB2 CYS A 18 6.049 5.185 0.042 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.370 5.508 1.734 1.00 0.36 H new ATOM 238 N CYS A 19 2.959 4.945 2.644 1.00 0.21 N ATOM 239 CA CYS A 19 1.745 5.718 2.816 1.00 0.21 C ATOM 240 C CYS A 19 1.863 6.688 3.980 1.00 0.23 C ATOM 241 O CYS A 19 2.697 6.509 4.869 1.00 0.30 O ATOM 242 CB CYS A 19 0.568 4.774 3.048 1.00 0.23 C ATOM 243 SG CYS A 19 0.280 3.586 1.697 1.00 0.50 S ATOM 0 H CYS A 19 3.142 4.272 3.388 1.00 0.21 H new ATOM 0 HA CYS A 19 1.581 6.300 1.909 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.738 4.221 3.972 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.335 5.367 3.193 1.00 0.23 H new ATOM 248 N ASP A 20 1.025 7.718 3.966 1.00 0.23 N ATOM 249 CA ASP A 20 0.945 8.648 5.076 1.00 0.28 C ATOM 250 C ASP A 20 -0.233 8.282 5.945 1.00 0.28 C ATOM 251 O ASP A 20 -1.383 8.491 5.569 1.00 0.34 O ATOM 252 CB ASP A 20 0.793 10.093 4.606 1.00 0.37 C ATOM 253 CG ASP A 20 2.075 10.675 4.049 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.141 10.915 2.826 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.015 10.917 4.840 1.00 1.33 O ATOM 0 H ASP A 20 0.392 7.927 3.194 1.00 0.23 H new ATOM 0 HA ASP A 20 1.877 8.577 5.637 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.017 10.140 3.842 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.455 10.707 5.441 1.00 0.37 H new ATOM 260 N THR A 21 0.059 7.745 7.105 1.00 0.31 N ATOM 261 CA THR A 21 -0.971 7.288 8.021 1.00 0.36 C ATOM 262 C THR A 21 -1.726 8.466 8.634 1.00 0.42 C ATOM 263 O THR A 21 -2.801 8.299 9.215 1.00 0.52 O ATOM 264 CB THR A 21 -0.353 6.431 9.137 1.00 0.41 C ATOM 265 OG1 THR A 21 0.716 7.153 9.765 1.00 0.41 O ATOM 266 CG2 THR A 21 0.176 5.119 8.579 1.00 0.43 C ATOM 0 H THR A 21 1.011 7.611 7.444 1.00 0.31 H new ATOM 0 HA THR A 21 -1.678 6.683 7.452 1.00 0.36 H new ATOM 0 HB THR A 21 -1.127 6.209 9.871 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.107 6.605 10.477 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.609 4.528 9.386 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.642 4.563 8.121 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.940 5.324 7.829 1.00 0.43 H new ATOM 274 N ASN A 22 -1.172 9.660 8.466 1.00 0.43 N ATOM 275 CA ASN A 22 -1.738 10.859 9.056 1.00 0.56 C ATOM 276 C ASN A 22 -2.624 11.557 8.043 1.00 0.50 C ATOM 277 O ASN A 22 -3.373 12.475 8.372 1.00 0.63 O ATOM 278 CB ASN A 22 -0.624 11.799 9.521 1.00 0.70 C ATOM 279 CG ASN A 22 0.250 11.173 10.589 1.00 1.35 C ATOM 280 OD1 ASN A 22 1.250 10.523 10.289 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.121 11.364 11.842 1.00 2.20 N ATOM 0 H ASN A 22 -0.325 9.821 7.921 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.338 10.580 9.922 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.007 12.077 8.667 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.065 12.718 9.908 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.429 10.966 12.603 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -0.958 11.910 12.049 1.00 2.20 H new ATOM 288 N LYS A 23 -2.535 11.099 6.807 1.00 0.40 N ATOM 289 CA LYS A 23 -3.331 11.641 5.727 1.00 0.39 C ATOM 290 C LYS A 23 -4.285 10.593 5.209 1.00 0.32 C ATOM 291 O LYS A 23 -3.942 9.421 5.085 1.00 0.39 O ATOM 292 CB LYS A 23 -2.440 12.148 4.600 1.00 0.47 C ATOM 293 CG LYS A 23 -1.936 13.565 4.815 1.00 0.95 C ATOM 294 CD LYS A 23 -1.340 14.144 3.548 1.00 1.53 C ATOM 295 CE LYS A 23 -0.129 13.346 3.125 1.00 1.84 C ATOM 296 NZ LYS A 23 0.327 13.686 1.750 1.00 2.60 N ATOM 0 H LYS A 23 -1.910 10.343 6.527 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.906 12.483 6.112 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.586 11.479 4.494 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.995 12.107 3.663 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.758 14.197 5.153 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -1.185 13.569 5.605 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -2.084 14.137 2.752 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -1.059 15.184 3.713 1.00 1.53 H new ATOM 0 HE2 LYS A 23 0.684 13.526 3.828 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -0.364 12.283 3.174 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 1.160 13.111 1.508 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -0.437 13.490 1.072 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 0.578 14.694 1.707 1.00 2.60 H new ATOM 310 N LYS A 24 -5.480 11.027 4.905 1.00 0.49 N ATOM 311 CA LYS A 24 -6.547 10.116 4.546 1.00 0.49 C ATOM 312 C LYS A 24 -7.136 10.471 3.188 1.00 0.45 C ATOM 313 O LYS A 24 -7.059 11.620 2.747 1.00 0.48 O ATOM 314 CB LYS A 24 -7.645 10.159 5.603 1.00 0.61 C ATOM 315 CG LYS A 24 -7.176 9.872 7.022 1.00 0.91 C ATOM 316 CD LYS A 24 -6.566 8.489 7.130 1.00 1.32 C ATOM 317 CE LYS A 24 -6.497 8.000 8.571 1.00 1.88 C ATOM 318 NZ LYS A 24 -5.549 8.790 9.399 1.00 2.17 N ATOM 0 H LYS A 24 -5.745 12.012 4.898 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.129 9.111 4.491 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.112 11.144 5.582 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.415 9.435 5.336 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -6.443 10.620 7.323 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -8.018 9.956 7.710 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -7.154 7.788 6.538 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -5.563 8.502 6.704 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -7.491 8.051 9.016 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -6.196 6.952 8.581 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -5.743 8.620 10.406 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -4.574 8.502 9.181 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -5.666 9.802 9.190 1.00 2.17 H new ATOM 332 N VAL A 25 -7.720 9.478 2.536 1.00 0.46 N ATOM 333 CA VAL A 25 -8.399 9.680 1.264 1.00 0.50 C ATOM 334 C VAL A 25 -9.889 9.429 1.449 1.00 0.56 C ATOM 335 O VAL A 25 -10.285 8.610 2.278 1.00 0.57 O ATOM 336 CB VAL A 25 -7.888 8.721 0.162 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.278 9.231 -1.217 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.386 8.508 0.255 1.00 0.44 C ATOM 0 H VAL A 25 -7.737 8.515 2.870 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.197 10.704 0.950 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.365 7.754 0.320 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -7.909 8.542 -1.977 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.364 9.300 -1.286 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.841 10.217 -1.377 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.065 7.829 -0.535 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.875 9.464 0.141 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.139 8.078 1.226 1.00 0.44 H new ATOM 348 N GLN A 26 -10.713 10.120 0.679 1.00 0.66 N ATOM 349 CA GLN A 26 -12.152 9.943 0.748 1.00 0.78 C ATOM 350 C GLN A 26 -12.620 8.928 -0.287 1.00 0.75 C ATOM 351 O GLN A 26 -13.792 8.902 -0.667 1.00 0.87 O ATOM 352 CB GLN A 26 -12.852 11.275 0.519 1.00 0.97 C ATOM 353 CG GLN A 26 -12.645 12.278 1.641 1.00 1.71 C ATOM 354 CD GLN A 26 -13.448 13.552 1.449 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.615 13.437 0.832 1.00 2.62 O flip ATOM 356 NE2 GLN A 26 -13.029 14.631 1.865 1.00 2.83 N flip ATOM 0 H GLN A 26 -10.407 10.812 -0.005 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.406 9.569 1.740 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.492 11.708 -0.414 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -13.920 11.097 0.396 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -12.924 11.818 2.589 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.586 12.528 1.707 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -12.125 14.680 2.335 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -13.585 15.477 1.740 1.00 2.83 H new ATOM 365 N LYS A 27 -11.698 8.093 -0.740 1.00 0.96 N ATOM 366 CA LYS A 27 -11.999 7.103 -1.758 1.00 1.06 C ATOM 367 C LYS A 27 -11.584 5.716 -1.296 1.00 0.94 C ATOM 368 O LYS A 27 -10.482 5.523 -0.792 1.00 1.56 O ATOM 369 CB LYS A 27 -11.293 7.459 -3.070 1.00 1.81 C ATOM 370 CG LYS A 27 -11.801 8.747 -3.716 1.00 2.36 C ATOM 371 CD LYS A 27 -13.243 8.632 -4.188 1.00 2.79 C ATOM 372 CE LYS A 27 -13.406 7.513 -5.194 1.00 3.33 C ATOM 373 NZ LYS A 27 -14.831 7.288 -5.557 1.00 4.07 N ATOM 0 H LYS A 27 -10.731 8.083 -0.416 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.076 7.101 -1.928 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -10.224 7.556 -2.881 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -11.419 6.637 -3.774 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -11.720 9.565 -3.000 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -11.164 9.001 -4.563 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -13.894 8.452 -3.333 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -13.557 9.575 -4.636 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -12.837 7.749 -6.093 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -12.988 6.594 -4.784 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -14.895 6.513 -6.248 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -15.371 7.037 -4.704 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -15.225 8.156 -5.973 1.00 4.07 H new ATOM 387 N SER A 28 -12.481 4.762 -1.466 1.00 0.83 N ATOM 388 CA SER A 28 -12.237 3.386 -1.072 1.00 1.35 C ATOM 389 C SER A 28 -12.205 2.518 -2.323 1.00 1.17 C ATOM 390 O SER A 28 -12.779 1.430 -2.374 1.00 1.46 O ATOM 391 CB SER A 28 -13.341 2.935 -0.116 1.00 2.09 C ATOM 392 OG SER A 28 -12.944 1.824 0.671 1.00 2.46 O ATOM 0 H SER A 28 -13.399 4.919 -1.881 1.00 0.83 H new ATOM 0 HA SER A 28 -11.280 3.295 -0.558 1.00 1.35 H new ATOM 0 HB2 SER A 28 -13.614 3.763 0.538 1.00 2.09 H new ATOM 0 HB3 SER A 28 -14.231 2.674 -0.688 1.00 2.09 H new ATOM 0 HG SER A 28 -13.677 1.568 1.269 1.00 2.46 H new ATOM 398 N THR A 29 -11.542 3.035 -3.337 1.00 1.02 N ATOM 399 CA THR A 29 -11.487 2.398 -4.636 1.00 1.07 C ATOM 400 C THR A 29 -10.103 1.808 -4.916 1.00 1.17 C ATOM 401 O THR A 29 -9.144 2.092 -4.198 1.00 2.00 O ATOM 402 CB THR A 29 -11.871 3.412 -5.726 1.00 1.24 C ATOM 403 OG1 THR A 29 -11.403 4.719 -5.360 1.00 1.64 O ATOM 404 CG2 THR A 29 -13.378 3.444 -5.929 1.00 1.64 C ATOM 0 H THR A 29 -11.024 3.912 -3.283 1.00 1.02 H new ATOM 0 HA THR A 29 -12.199 1.573 -4.642 1.00 1.07 H new ATOM 0 HB THR A 29 -11.403 3.106 -6.662 1.00 1.24 H new ATOM 0 HG1 THR A 29 -10.954 5.132 -6.127 1.00 1.64 H new ATOM 0 HG21 THR A 29 -13.625 4.169 -6.705 1.00 1.64 H new ATOM 0 HG22 THR A 29 -13.725 2.456 -6.231 1.00 1.64 H new ATOM 0 HG23 THR A 29 -13.865 3.730 -4.997 1.00 1.64 H new ATOM 412 N GLY A 30 -10.006 0.994 -5.963 1.00 0.96 N ATOM 413 CA GLY A 30 -8.760 0.319 -6.274 1.00 1.02 C ATOM 414 C GLY A 30 -8.928 -0.721 -7.365 1.00 1.05 C ATOM 415 O GLY A 30 -9.791 -0.581 -8.231 1.00 1.39 O ATOM 0 H GLY A 30 -10.773 0.790 -6.604 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -8.019 1.054 -6.587 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -8.374 -0.160 -5.374 1.00 1.02 H new ATOM 419 N GLU A 31 -8.129 -1.775 -7.311 1.00 1.00 N ATOM 420 CA GLU A 31 -8.159 -2.811 -8.337 1.00 1.18 C ATOM 421 C GLU A 31 -9.226 -3.851 -8.028 1.00 0.94 C ATOM 422 O GLU A 31 -10.077 -4.157 -8.866 1.00 1.04 O ATOM 423 CB GLU A 31 -6.797 -3.496 -8.447 1.00 1.63 C ATOM 424 CG GLU A 31 -5.692 -2.588 -8.952 1.00 2.14 C ATOM 425 CD GLU A 31 -4.387 -3.325 -9.139 1.00 2.60 C ATOM 426 OE1 GLU A 31 -3.469 -3.140 -8.313 1.00 2.90 O ATOM 427 OE2 GLU A 31 -4.267 -4.098 -10.107 1.00 3.06 O ATOM 0 H GLU A 31 -7.450 -1.938 -6.567 1.00 1.00 H new ATOM 0 HA GLU A 31 -8.398 -2.332 -9.286 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -6.516 -3.884 -7.468 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -6.885 -4.352 -9.116 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -5.995 -2.143 -9.900 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -5.547 -1.769 -8.247 1.00 2.14 H new ATOM 434 N GLU A 32 -9.191 -4.373 -6.815 1.00 0.85 N ATOM 435 CA GLU A 32 -10.137 -5.385 -6.389 1.00 1.01 C ATOM 436 C GLU A 32 -11.167 -4.766 -5.462 1.00 1.08 C ATOM 437 O GLU A 32 -12.373 -4.966 -5.626 1.00 1.36 O ATOM 438 CB GLU A 32 -9.409 -6.529 -5.681 1.00 1.26 C ATOM 439 CG GLU A 32 -8.309 -7.167 -6.516 1.00 1.66 C ATOM 440 CD GLU A 32 -8.833 -7.808 -7.781 1.00 1.90 C ATOM 441 OE1 GLU A 32 -9.444 -8.892 -7.691 1.00 2.09 O ATOM 442 OE2 GLU A 32 -8.624 -7.240 -8.875 1.00 2.44 O ATOM 0 H GLU A 32 -8.510 -4.109 -6.103 1.00 0.85 H new ATOM 0 HA GLU A 32 -10.643 -5.788 -7.266 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -8.977 -6.153 -4.754 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -10.135 -7.295 -5.407 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.571 -6.409 -6.777 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -7.795 -7.920 -5.918 1.00 1.66 H new ATOM 449 N SER A 33 -10.681 -3.988 -4.500 1.00 1.06 N ATOM 450 CA SER A 33 -11.553 -3.286 -3.569 1.00 1.37 C ATOM 451 C SER A 33 -12.358 -2.225 -4.315 1.00 1.43 C ATOM 452 O SER A 33 -13.408 -1.786 -3.852 1.00 1.79 O ATOM 453 CB SER A 33 -10.735 -2.650 -2.440 1.00 1.72 C ATOM 454 OG SER A 33 -11.560 -2.245 -1.361 1.00 2.36 O ATOM 0 H SER A 33 -9.685 -3.829 -4.346 1.00 1.06 H new ATOM 0 HA SER A 33 -12.243 -4.002 -3.123 1.00 1.37 H new ATOM 0 HB2 SER A 33 -9.992 -3.363 -2.083 1.00 1.72 H new ATOM 0 HB3 SER A 33 -10.191 -1.788 -2.826 1.00 1.72 H new ATOM 0 HG SER A 33 -11.397 -2.826 -0.589 1.00 2.36 H new ATOM 460 N GLY A 34 -11.869 -1.831 -5.488 1.00 1.39 N ATOM 461 CA GLY A 34 -12.608 -0.908 -6.329 1.00 1.87 C ATOM 462 C GLY A 34 -13.989 -1.437 -6.653 1.00 2.00 C ATOM 463 O GLY A 34 -14.960 -0.683 -6.691 1.00 2.54 O ATOM 0 H GLY A 34 -10.974 -2.135 -5.870 1.00 1.39 H new ATOM 0 HA2 GLY A 34 -12.695 0.055 -5.825 1.00 1.87 H new ATOM 0 HA3 GLY A 34 -12.057 -0.736 -7.254 1.00 1.87 H new ATOM 467 N LEU A 35 -14.073 -2.743 -6.859 1.00 1.81 N ATOM 468 CA LEU A 35 -15.347 -3.399 -7.091 1.00 2.31 C ATOM 469 C LEU A 35 -16.034 -3.663 -5.758 1.00 2.77 C ATOM 470 O LEU A 35 -17.119 -3.149 -5.487 1.00 3.49 O ATOM 471 CB LEU A 35 -15.137 -4.717 -7.840 1.00 2.32 C ATOM 472 CG LEU A 35 -14.395 -4.602 -9.174 1.00 2.47 C ATOM 473 CD1 LEU A 35 -14.163 -5.980 -9.772 1.00 2.79 C ATOM 474 CD2 LEU A 35 -15.168 -3.723 -10.146 1.00 2.93 C ATOM 0 H LEU A 35 -13.269 -3.370 -6.870 1.00 1.81 H new ATOM 0 HA LEU A 35 -15.976 -2.749 -7.700 1.00 2.31 H new ATOM 0 HB2 LEU A 35 -14.584 -5.399 -7.194 1.00 2.32 H new ATOM 0 HB3 LEU A 35 -16.111 -5.171 -8.023 1.00 2.32 H new ATOM 0 HG LEU A 35 -13.427 -4.137 -8.989 1.00 2.47 H new ATOM 0 HD11 LEU A 35 -13.634 -5.881 -10.720 1.00 2.79 H new ATOM 0 HD12 LEU A 35 -13.566 -6.579 -9.085 1.00 2.79 H new ATOM 0 HD13 LEU A 35 -15.122 -6.470 -9.941 1.00 2.79 H new ATOM 0 HD21 LEU A 35 -14.623 -3.655 -11.087 1.00 2.93 H new ATOM 0 HD22 LEU A 35 -16.151 -4.158 -10.327 1.00 2.93 H new ATOM 0 HD23 LEU A 35 -15.285 -2.726 -9.721 1.00 2.93 H new ATOM 486 N LEU A 36 -15.379 -4.448 -4.914 1.00 2.50 N ATOM 487 CA LEU A 36 -15.924 -4.800 -3.628 1.00 3.01 C ATOM 488 C LEU A 36 -15.145 -4.136 -2.499 1.00 2.81 C ATOM 489 O LEU A 36 -14.099 -4.634 -2.082 1.00 2.34 O ATOM 490 CB LEU A 36 -15.863 -6.312 -3.470 1.00 3.19 C ATOM 491 CG LEU A 36 -16.751 -7.105 -4.428 1.00 4.01 C ATOM 492 CD1 LEU A 36 -16.506 -8.592 -4.265 1.00 4.60 C ATOM 493 CD2 LEU A 36 -18.217 -6.781 -4.190 1.00 4.79 C ATOM 0 H LEU A 36 -14.462 -4.852 -5.107 1.00 2.50 H new ATOM 0 HA LEU A 36 -16.956 -4.452 -3.575 1.00 3.01 H new ATOM 0 HB2 LEU A 36 -14.831 -6.634 -3.607 1.00 3.19 H new ATOM 0 HB3 LEU A 36 -16.143 -6.566 -2.447 1.00 3.19 H new ATOM 0 HG LEU A 36 -16.497 -6.820 -5.449 1.00 4.01 H new ATOM 0 HD11 LEU A 36 -17.146 -9.144 -4.954 1.00 4.60 H new ATOM 0 HD12 LEU A 36 -15.461 -8.815 -4.482 1.00 4.60 H new ATOM 0 HD13 LEU A 36 -16.735 -8.888 -3.241 1.00 4.60 H new ATOM 0 HD21 LEU A 36 -18.833 -7.355 -4.882 1.00 4.79 H new ATOM 0 HD22 LEU A 36 -18.485 -7.039 -3.165 1.00 4.79 H new ATOM 0 HD23 LEU A 36 -18.385 -5.716 -4.352 1.00 4.79 H new ATOM 505 N HIS A 37 -15.648 -3.012 -2.008 1.00 3.51 N ATOM 506 CA HIS A 37 -15.050 -2.375 -0.842 1.00 3.61 C ATOM 507 C HIS A 37 -15.990 -2.447 0.353 1.00 3.25 C ATOM 508 O HIS A 37 -15.773 -3.230 1.277 1.00 2.95 O ATOM 509 CB HIS A 37 -14.608 -0.921 -1.126 1.00 4.74 C ATOM 510 CG HIS A 37 -15.532 -0.106 -1.990 1.00 5.33 C ATOM 511 ND1 HIS A 37 -15.486 -0.136 -3.367 1.00 5.88 N ATOM 512 CD2 HIS A 37 -16.504 0.782 -1.670 1.00 5.85 C ATOM 513 CE1 HIS A 37 -16.386 0.696 -3.857 1.00 6.59 C ATOM 514 NE2 HIS A 37 -17.016 1.265 -2.848 1.00 6.59 N ATOM 0 H HIS A 37 -16.459 -2.527 -2.393 1.00 3.51 H new ATOM 0 HA HIS A 37 -14.145 -2.931 -0.599 1.00 3.61 H new ATOM 0 HB2 HIS A 37 -14.487 -0.407 -0.173 1.00 4.74 H new ATOM 0 HB3 HIS A 37 -13.627 -0.947 -1.601 1.00 4.74 H new ATOM 0 HD1 HIS A 37 -14.854 -0.712 -3.922 1.00 5.88 H new ATOM 0 HD2 HIS A 37 -16.817 1.058 -0.674 1.00 5.85 H new ATOM 0 HE1 HIS A 37 -16.574 0.879 -4.905 1.00 6.59 H new ATOM 523 N THR A 38 -17.066 -1.683 0.297 1.00 3.58 N ATOM 524 CA THR A 38 -18.018 -1.614 1.389 1.00 3.68 C ATOM 525 C THR A 38 -18.823 -2.905 1.477 1.00 3.15 C ATOM 526 O THR A 38 -19.313 -3.280 2.544 1.00 3.20 O ATOM 527 CB THR A 38 -18.971 -0.417 1.190 1.00 4.74 C ATOM 528 OG1 THR A 38 -18.210 0.785 1.011 1.00 5.22 O ATOM 529 CG2 THR A 38 -19.915 -0.248 2.370 1.00 5.42 C ATOM 0 H THR A 38 -17.303 -1.096 -0.503 1.00 3.58 H new ATOM 0 HA THR A 38 -17.466 -1.480 2.319 1.00 3.68 H new ATOM 0 HB THR A 38 -19.571 -0.615 0.302 1.00 4.74 H new ATOM 0 HG1 THR A 38 -18.819 1.542 0.883 1.00 5.22 H new ATOM 0 HG21 THR A 38 -20.570 0.605 2.193 1.00 5.42 H new ATOM 0 HG22 THR A 38 -20.516 -1.149 2.487 1.00 5.42 H new ATOM 0 HG23 THR A 38 -19.336 -0.078 3.278 1.00 5.42 H new ATOM 537 N GLY A 39 -18.926 -3.602 0.354 1.00 2.92 N ATOM 538 CA GLY A 39 -19.704 -4.822 0.307 1.00 3.07 C ATOM 539 C GLY A 39 -18.983 -5.997 0.924 1.00 2.65 C ATOM 540 O GLY A 39 -19.536 -7.095 1.017 1.00 3.27 O ATOM 0 H GLY A 39 -18.483 -3.343 -0.527 1.00 2.92 H new ATOM 0 HA2 GLY A 39 -20.649 -4.666 0.828 1.00 3.07 H new ATOM 0 HA3 GLY A 39 -19.947 -5.054 -0.730 1.00 3.07 H new ATOM 544 N ASP A 40 -17.751 -5.776 1.343 1.00 2.12 N ATOM 545 CA ASP A 40 -16.987 -6.806 2.021 1.00 2.43 C ATOM 546 C ASP A 40 -16.646 -6.352 3.426 1.00 2.44 C ATOM 547 O ASP A 40 -16.898 -7.060 4.403 1.00 3.10 O ATOM 548 CB ASP A 40 -15.703 -7.119 1.253 1.00 2.68 C ATOM 549 CG ASP A 40 -14.954 -8.303 1.838 1.00 3.59 C ATOM 550 OD1 ASP A 40 -15.380 -9.452 1.624 1.00 4.07 O ATOM 551 OD2 ASP A 40 -13.929 -8.086 2.520 1.00 4.15 O ATOM 0 H ASP A 40 -17.258 -4.891 1.225 1.00 2.12 H new ATOM 0 HA ASP A 40 -17.592 -7.711 2.069 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -15.947 -7.326 0.211 1.00 2.68 H new ATOM 0 HB3 ASP A 40 -15.055 -6.243 1.261 1.00 2.68 H new ATOM 556 N VAL A 41 -16.102 -5.147 3.517 1.00 1.88 N ATOM 557 CA VAL A 41 -15.634 -4.606 4.787 1.00 1.83 C ATOM 558 C VAL A 41 -15.741 -3.086 4.823 1.00 1.57 C ATOM 559 O VAL A 41 -15.285 -2.395 3.915 1.00 1.47 O ATOM 560 CB VAL A 41 -14.171 -5.006 5.077 1.00 1.92 C ATOM 561 CG1 VAL A 41 -14.103 -6.376 5.734 1.00 2.58 C ATOM 562 CG2 VAL A 41 -13.354 -4.995 3.796 1.00 1.85 C ATOM 0 H VAL A 41 -15.973 -4.521 2.722 1.00 1.88 H new ATOM 0 HA VAL A 41 -16.280 -5.033 5.554 1.00 1.83 H new ATOM 0 HB VAL A 41 -13.750 -4.275 5.767 1.00 1.92 H new ATOM 0 HG11 VAL A 41 -13.062 -6.635 5.928 1.00 2.58 H new ATOM 0 HG12 VAL A 41 -14.654 -6.356 6.675 1.00 2.58 H new ATOM 0 HG13 VAL A 41 -14.544 -7.120 5.071 1.00 2.58 H new ATOM 0 HG21 VAL A 41 -12.325 -5.279 4.018 1.00 1.85 H new ATOM 0 HG22 VAL A 41 -13.781 -5.703 3.086 1.00 1.85 H new ATOM 0 HG23 VAL A 41 -13.369 -3.995 3.364 1.00 1.85 H new ATOM 572 N LEU A 42 -16.340 -2.575 5.883 1.00 1.77 N ATOM 573 CA LEU A 42 -16.479 -1.138 6.067 1.00 1.81 C ATOM 574 C LEU A 42 -15.307 -0.572 6.857 1.00 1.47 C ATOM 575 O LEU A 42 -15.132 0.645 6.947 1.00 1.56 O ATOM 576 CB LEU A 42 -17.788 -0.828 6.793 1.00 2.42 C ATOM 577 CG LEU A 42 -18.917 -0.305 5.904 1.00 2.97 C ATOM 578 CD1 LEU A 42 -20.226 -0.255 6.676 1.00 3.50 C ATOM 579 CD2 LEU A 42 -18.565 1.074 5.365 1.00 3.37 C ATOM 0 H LEU A 42 -16.741 -3.136 6.635 1.00 1.77 H new ATOM 0 HA LEU A 42 -16.489 -0.670 5.083 1.00 1.81 H new ATOM 0 HB2 LEU A 42 -18.131 -1.734 7.293 1.00 2.42 H new ATOM 0 HB3 LEU A 42 -17.588 -0.091 7.570 1.00 2.42 H new ATOM 0 HG LEU A 42 -19.041 -0.988 5.063 1.00 2.97 H new ATOM 0 HD11 LEU A 42 -21.017 0.120 6.027 1.00 3.50 H new ATOM 0 HD12 LEU A 42 -20.483 -1.256 7.021 1.00 3.50 H new ATOM 0 HD13 LEU A 42 -20.117 0.408 7.535 1.00 3.50 H new ATOM 0 HD21 LEU A 42 -19.376 1.436 4.733 1.00 3.37 H new ATOM 0 HD22 LEU A 42 -18.418 1.763 6.197 1.00 3.37 H new ATOM 0 HD23 LEU A 42 -17.648 1.012 4.778 1.00 3.37 H new ATOM 591 N ASP A 43 -14.493 -1.458 7.410 1.00 1.24 N ATOM 592 CA ASP A 43 -13.400 -1.049 8.284 1.00 1.03 C ATOM 593 C ASP A 43 -12.138 -0.716 7.496 1.00 0.78 C ATOM 594 O ASP A 43 -11.116 -0.365 8.087 1.00 0.77 O ATOM 595 CB ASP A 43 -13.090 -2.140 9.312 1.00 1.22 C ATOM 596 CG ASP A 43 -12.433 -3.358 8.696 1.00 1.63 C ATOM 597 OD1 ASP A 43 -13.136 -4.148 8.028 1.00 2.29 O ATOM 598 OD2 ASP A 43 -11.211 -3.530 8.870 1.00 2.03 O ATOM 0 H ASP A 43 -14.567 -2.466 7.270 1.00 1.24 H new ATOM 0 HA ASP A 43 -13.727 -0.147 8.802 1.00 1.03 H new ATOM 0 HB2 ASP A 43 -12.437 -1.731 10.083 1.00 1.22 H new ATOM 0 HB3 ASP A 43 -14.014 -2.442 9.805 1.00 1.22 H new ATOM 603 N GLN A 44 -12.200 -0.831 6.168 1.00 0.64 N ATOM 604 CA GLN A 44 -11.066 -0.486 5.328 1.00 0.45 C ATOM 605 C GLN A 44 -10.596 0.929 5.613 1.00 0.42 C ATOM 606 O GLN A 44 -11.399 1.823 5.888 1.00 0.57 O ATOM 607 CB GLN A 44 -11.397 -0.606 3.842 1.00 0.42 C ATOM 608 CG GLN A 44 -11.927 -1.971 3.435 1.00 0.57 C ATOM 609 CD GLN A 44 -12.025 -2.150 1.930 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.847 -3.254 1.412 1.00 1.40 O ATOM 611 NE2 GLN A 44 -12.319 -1.077 1.215 1.00 1.18 N ATOM 0 H GLN A 44 -13.021 -1.159 5.659 1.00 0.64 H new ATOM 0 HA GLN A 44 -10.274 -1.196 5.567 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.137 0.152 3.583 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.500 -0.388 3.262 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.276 -2.743 3.845 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -12.913 -2.117 3.877 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -12.460 -0.179 1.677 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.405 -1.148 0.201 1.00 1.18 H new ATOM 620 N VAL A 45 -9.298 1.120 5.543 1.00 0.33 N ATOM 621 CA VAL A 45 -8.708 2.414 5.793 1.00 0.36 C ATOM 622 C VAL A 45 -8.051 2.938 4.527 1.00 0.27 C ATOM 623 O VAL A 45 -7.228 2.265 3.912 1.00 0.33 O ATOM 624 CB VAL A 45 -7.698 2.363 6.961 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.510 1.500 6.628 1.00 1.19 C ATOM 626 CG2 VAL A 45 -7.268 3.762 7.376 1.00 1.37 C ATOM 0 H VAL A 45 -8.626 0.388 5.313 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.503 3.100 6.087 1.00 0.36 H new ATOM 0 HB VAL A 45 -8.203 1.905 7.812 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -5.821 1.488 7.473 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.845 0.484 6.419 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -6.002 1.902 5.751 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -6.557 3.695 8.200 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -6.797 4.264 6.531 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.141 4.331 7.695 1.00 1.37 H new ATOM 636 N ALA A 46 -8.467 4.114 4.117 1.00 0.24 N ATOM 637 CA ALA A 46 -7.931 4.737 2.925 1.00 0.21 C ATOM 638 C ALA A 46 -7.002 5.872 3.296 1.00 0.20 C ATOM 639 O ALA A 46 -7.449 6.970 3.634 1.00 0.30 O ATOM 640 CB ALA A 46 -9.053 5.242 2.038 1.00 0.29 C ATOM 0 H ALA A 46 -9.181 4.664 4.595 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.363 3.989 2.371 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.631 5.707 1.147 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.689 4.407 1.745 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.646 5.976 2.584 1.00 0.29 H new ATOM 646 N ILE A 47 -5.711 5.607 3.254 1.00 0.21 N ATOM 647 CA ILE A 47 -4.733 6.636 3.533 1.00 0.21 C ATOM 648 C ILE A 47 -4.039 7.065 2.261 1.00 0.20 C ATOM 649 O ILE A 47 -3.848 6.269 1.337 1.00 0.21 O ATOM 650 CB ILE A 47 -3.692 6.204 4.583 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.026 4.881 4.209 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.351 6.103 5.941 1.00 0.23 C ATOM 653 CD1 ILE A 47 -1.993 4.434 5.222 1.00 0.23 C ATOM 0 H ILE A 47 -5.318 4.693 3.031 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.280 7.480 3.954 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.908 6.961 4.616 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.790 4.110 4.113 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.551 4.982 3.233 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.612 5.797 6.682 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.763 7.073 6.218 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.153 5.366 5.902 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.555 3.489 4.902 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.210 5.189 5.301 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.469 4.302 6.194 1.00 0.23 H new ATOM 665 N GLN A 48 -3.686 8.336 2.212 1.00 0.24 N ATOM 666 CA GLN A 48 -3.076 8.906 1.030 1.00 0.25 C ATOM 667 C GLN A 48 -1.636 8.439 0.945 1.00 0.22 C ATOM 668 O GLN A 48 -0.821 8.715 1.830 1.00 0.36 O ATOM 669 CB GLN A 48 -3.143 10.429 1.068 1.00 0.36 C ATOM 670 CG GLN A 48 -3.031 11.044 -0.309 1.00 0.47 C ATOM 671 CD GLN A 48 -4.365 11.150 -1.020 1.00 1.43 C ATOM 672 OE1 GLN A 48 -5.403 11.329 -0.391 1.00 2.38 O ATOM 673 NE2 GLN A 48 -4.344 11.033 -2.336 1.00 1.78 N ATOM 0 H GLN A 48 -3.813 8.994 2.981 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.620 8.572 0.147 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -4.083 10.738 1.526 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -2.341 10.810 1.700 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.592 12.038 -0.222 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.350 10.446 -0.914 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -3.459 10.885 -2.821 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -5.213 11.091 -2.867 1.00 1.78 H new ATOM 682 N CYS A 49 -1.331 7.730 -0.114 1.00 0.26 N ATOM 683 CA CYS A 49 -0.060 7.060 -0.245 1.00 0.25 C ATOM 684 C CYS A 49 0.730 7.636 -1.406 1.00 0.28 C ATOM 685 O CYS A 49 0.177 8.353 -2.238 1.00 0.32 O ATOM 686 CB CYS A 49 -0.311 5.578 -0.475 1.00 0.25 C ATOM 687 SG CYS A 49 1.042 4.504 0.061 1.00 1.15 S ATOM 0 H CYS A 49 -1.956 7.601 -0.909 1.00 0.26 H new ATOM 0 HA CYS A 49 0.520 7.204 0.666 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.220 5.289 0.053 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.492 5.412 -1.537 1.00 0.25 H new ATOM 692 N THR A 50 2.023 7.349 -1.447 1.00 0.28 N ATOM 693 CA THR A 50 2.855 7.773 -2.558 1.00 0.36 C ATOM 694 C THR A 50 4.150 6.976 -2.589 1.00 0.38 C ATOM 695 O THR A 50 4.812 6.795 -1.566 1.00 0.45 O ATOM 696 CB THR A 50 3.137 9.294 -2.518 1.00 0.46 C ATOM 697 OG1 THR A 50 3.907 9.694 -3.659 1.00 0.60 O ATOM 698 CG2 THR A 50 3.866 9.685 -1.243 1.00 0.54 C ATOM 0 H THR A 50 2.516 6.825 -0.724 1.00 0.28 H new ATOM 0 HA THR A 50 2.306 7.574 -3.478 1.00 0.36 H new ATOM 0 HB THR A 50 2.176 9.808 -2.538 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.075 10.659 -3.619 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.050 10.759 -1.244 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.255 9.422 -0.379 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.817 9.154 -1.190 1.00 0.54 H new ATOM 706 N GLN A 51 4.494 6.473 -3.757 1.00 0.39 N ATOM 707 CA GLN A 51 5.674 5.656 -3.899 1.00 0.42 C ATOM 708 C GLN A 51 6.647 6.258 -4.901 1.00 0.42 C ATOM 709 O GLN A 51 6.294 6.516 -6.052 1.00 0.58 O ATOM 710 CB GLN A 51 5.276 4.251 -4.326 1.00 0.57 C ATOM 711 CG GLN A 51 6.441 3.277 -4.326 1.00 0.66 C ATOM 712 CD GLN A 51 7.104 3.154 -2.965 1.00 1.01 C ATOM 713 OE1 GLN A 51 6.455 3.291 -1.930 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.410 2.910 -2.962 1.00 0.74 N ATOM 0 H GLN A 51 3.970 6.618 -4.620 1.00 0.39 H new ATOM 0 HA GLN A 51 6.179 5.611 -2.934 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.500 3.880 -3.656 1.00 0.57 H new ATOM 0 HB3 GLN A 51 4.843 4.290 -5.325 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.088 2.296 -4.644 1.00 0.66 H new ATOM 0 HG3 GLN A 51 7.181 3.602 -5.058 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.911 2.803 -3.844 1.00 0.74 H new ATOM 0 HE22 GLN A 51 8.912 2.830 -2.078 1.00 0.74 H new ATOM 723 N ILE A 52 7.864 6.496 -4.439 1.00 0.43 N ATOM 724 CA ILE A 52 8.947 6.935 -5.300 1.00 0.50 C ATOM 725 C ILE A 52 9.275 5.838 -6.314 1.00 0.56 C ATOM 726 O ILE A 52 9.333 4.661 -5.951 1.00 0.65 O ATOM 727 CB ILE A 52 10.198 7.287 -4.457 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.935 8.556 -3.641 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.435 7.457 -5.331 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.118 9.008 -2.813 1.00 0.95 C ATOM 0 H ILE A 52 8.127 6.390 -3.459 1.00 0.43 H new ATOM 0 HA ILE A 52 8.635 7.831 -5.836 1.00 0.50 H new ATOM 0 HB ILE A 52 10.393 6.458 -3.777 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.650 9.360 -4.320 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.086 8.382 -2.980 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.292 7.703 -4.704 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.632 6.529 -5.867 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.267 8.261 -6.048 1.00 0.85 H new ATOM 0 HD11 ILE A 52 10.854 9.912 -2.264 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.390 8.222 -2.108 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.963 9.216 -3.469 1.00 0.95 H new ATOM 742 N PRO A 53 9.452 6.221 -7.600 1.00 0.66 N ATOM 743 CA PRO A 53 9.746 5.294 -8.702 1.00 0.80 C ATOM 744 C PRO A 53 10.768 4.233 -8.317 1.00 0.82 C ATOM 745 O PRO A 53 11.951 4.526 -8.110 1.00 0.87 O ATOM 746 CB PRO A 53 10.291 6.202 -9.816 1.00 0.95 C ATOM 747 CG PRO A 53 10.333 7.584 -9.243 1.00 0.85 C ATOM 748 CD PRO A 53 9.380 7.598 -8.085 1.00 0.70 C ATOM 0 HA PRO A 53 8.861 4.732 -9.000 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.284 5.880 -10.130 1.00 0.95 H new ATOM 0 HB3 PRO A 53 9.650 6.165 -10.697 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.342 7.838 -8.917 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.044 8.322 -9.991 1.00 0.85 H new ATOM 0 HD2 PRO A 53 9.681 8.314 -7.320 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.370 7.867 -8.394 1.00 0.70 H new ATOM 756 N LEU A 54 10.289 3.003 -8.240 1.00 0.90 N ATOM 757 CA LEU A 54 11.046 1.899 -7.686 1.00 0.96 C ATOM 758 C LEU A 54 11.989 1.265 -8.698 1.00 0.90 C ATOM 759 O LEU A 54 11.672 1.154 -9.885 1.00 1.03 O ATOM 760 CB LEU A 54 10.080 0.843 -7.134 1.00 1.27 C ATOM 761 CG LEU A 54 9.132 0.198 -8.156 1.00 1.07 C ATOM 762 CD1 LEU A 54 9.744 -1.063 -8.752 1.00 1.67 C ATOM 763 CD2 LEU A 54 7.790 -0.115 -7.518 1.00 1.08 C ATOM 0 H LEU A 54 9.357 2.743 -8.563 1.00 0.90 H new ATOM 0 HA LEU A 54 11.667 2.299 -6.884 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.666 0.054 -6.663 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.478 1.304 -6.350 1.00 1.27 H new ATOM 0 HG LEU A 54 8.975 0.913 -8.964 1.00 1.07 H new ATOM 0 HD11 LEU A 54 9.051 -1.498 -9.472 1.00 1.67 H new ATOM 0 HD12 LEU A 54 10.678 -0.812 -9.254 1.00 1.67 H new ATOM 0 HD13 LEU A 54 9.941 -1.782 -7.957 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.133 -0.571 -8.258 1.00 1.08 H new ATOM 0 HD22 LEU A 54 7.934 -0.805 -6.687 1.00 1.08 H new ATOM 0 HD23 LEU A 54 7.338 0.806 -7.150 1.00 1.08 H new ATOM 775 N LEU A 55 13.160 0.883 -8.222 1.00 0.88 N ATOM 776 CA LEU A 55 14.051 0.025 -8.981 1.00 0.96 C ATOM 777 C LEU A 55 13.798 -1.422 -8.576 1.00 0.93 C ATOM 778 O LEU A 55 13.718 -1.736 -7.387 1.00 0.85 O ATOM 779 CB LEU A 55 15.521 0.390 -8.743 1.00 1.08 C ATOM 780 CG LEU A 55 16.006 1.684 -9.410 1.00 1.26 C ATOM 781 CD1 LEU A 55 15.417 2.911 -8.735 1.00 1.52 C ATOM 782 CD2 LEU A 55 17.525 1.747 -9.399 1.00 1.58 C ATOM 0 H LEU A 55 13.518 1.156 -7.307 1.00 0.88 H new ATOM 0 HA LEU A 55 13.850 0.160 -10.044 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.685 0.474 -7.669 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.142 -0.433 -9.097 1.00 1.08 H new ATOM 0 HG LEU A 55 15.661 1.677 -10.444 1.00 1.26 H new ATOM 0 HD11 LEU A 55 15.781 3.810 -9.232 1.00 1.52 H new ATOM 0 HD12 LEU A 55 14.330 2.875 -8.800 1.00 1.52 H new ATOM 0 HD13 LEU A 55 15.717 2.929 -7.687 1.00 1.52 H new ATOM 0 HD21 LEU A 55 17.854 2.670 -9.875 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.883 1.722 -8.370 1.00 1.58 H new ATOM 0 HD23 LEU A 55 17.929 0.894 -9.944 1.00 1.58 H new ATOM 794 N ILE A 56 13.657 -2.299 -9.558 1.00 1.10 N ATOM 795 CA ILE A 56 13.331 -3.692 -9.288 1.00 1.16 C ATOM 796 C ILE A 56 14.491 -4.371 -8.574 1.00 1.07 C ATOM 797 O ILE A 56 15.647 -4.265 -8.989 1.00 1.14 O ATOM 798 CB ILE A 56 12.993 -4.490 -10.571 1.00 1.45 C ATOM 799 CG1 ILE A 56 11.817 -3.865 -11.340 1.00 1.68 C ATOM 800 CG2 ILE A 56 12.670 -5.939 -10.228 1.00 1.58 C ATOM 801 CD1 ILE A 56 12.170 -2.632 -12.146 1.00 2.11 C ATOM 0 H ILE A 56 13.763 -2.072 -10.547 1.00 1.10 H new ATOM 0 HA ILE A 56 12.442 -3.687 -8.657 1.00 1.16 H new ATOM 0 HB ILE A 56 13.873 -4.456 -11.213 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.401 -4.615 -12.013 1.00 1.68 H new ATOM 0 HG13 ILE A 56 11.033 -3.605 -10.629 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.435 -6.485 -11.141 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.531 -6.398 -9.742 1.00 1.58 H new ATOM 0 HG23 ILE A 56 11.813 -5.971 -9.555 1.00 1.58 H new ATOM 0 HD11 ILE A 56 11.279 -2.262 -12.653 1.00 2.11 H new ATOM 0 HD12 ILE A 56 12.556 -1.860 -11.480 1.00 2.11 H new ATOM 0 HD13 ILE A 56 12.930 -2.886 -12.885 1.00 2.11 H new ATOM 813 N GLY A 57 14.168 -5.070 -7.506 1.00 1.03 N ATOM 814 CA GLY A 57 15.185 -5.688 -6.682 1.00 1.00 C ATOM 815 C GLY A 57 15.470 -4.882 -5.432 1.00 0.86 C ATOM 816 O GLY A 57 16.238 -5.308 -4.567 1.00 0.90 O ATOM 0 H GLY A 57 13.211 -5.224 -7.189 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.864 -6.691 -6.401 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.103 -5.797 -7.260 1.00 1.00 H new ATOM 820 N ILE A 58 14.859 -3.708 -5.341 1.00 0.77 N ATOM 821 CA ILE A 58 15.037 -2.846 -4.186 1.00 0.66 C ATOM 822 C ILE A 58 13.886 -2.988 -3.203 1.00 0.61 C ATOM 823 O ILE A 58 12.753 -3.309 -3.572 1.00 0.69 O ATOM 824 CB ILE A 58 15.220 -1.361 -4.607 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.687 -0.952 -4.448 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.311 -0.414 -3.821 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.173 -0.966 -3.009 1.00 0.71 C ATOM 0 H ILE A 58 14.235 -3.333 -6.056 1.00 0.77 H new ATOM 0 HA ILE A 58 15.949 -3.167 -3.684 1.00 0.66 H new ATOM 0 HB ILE A 58 14.930 -1.279 -5.654 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.309 -1.625 -5.039 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.822 0.049 -4.858 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.478 0.610 -4.154 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.269 -0.685 -3.991 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.537 -0.492 -2.758 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.220 -0.665 -2.976 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.577 -0.271 -2.417 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.071 -1.971 -2.600 1.00 0.71 H new ATOM 839 N ALA A 59 14.224 -2.765 -1.949 1.00 0.57 N ATOM 840 CA ALA A 59 13.281 -2.793 -0.854 1.00 0.59 C ATOM 841 C ALA A 59 12.570 -1.451 -0.741 1.00 0.49 C ATOM 842 O ALA A 59 13.205 -0.396 -0.737 1.00 0.50 O ATOM 843 CB ALA A 59 14.037 -3.094 0.422 1.00 0.68 C ATOM 0 H ALA A 59 15.179 -2.556 -1.659 1.00 0.57 H new ATOM 0 HA ALA A 59 12.529 -3.563 -1.029 1.00 0.59 H new ATOM 0 HB1 ALA A 59 13.341 -3.119 1.260 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.532 -4.061 0.332 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.784 -2.319 0.594 1.00 0.68 H new ATOM 849 N ILE A 60 11.248 -1.519 -0.624 1.00 0.46 N ATOM 850 CA ILE A 60 10.382 -0.338 -0.574 1.00 0.42 C ATOM 851 C ILE A 60 10.813 0.638 0.516 1.00 0.40 C ATOM 852 O ILE A 60 10.735 1.856 0.354 1.00 0.39 O ATOM 853 CB ILE A 60 8.919 -0.756 -0.308 1.00 0.53 C ATOM 854 CG1 ILE A 60 8.005 0.468 -0.319 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.810 -1.501 1.023 1.00 0.62 C ATOM 856 CD1 ILE A 60 6.556 0.144 -0.059 1.00 0.69 C ATOM 0 H ILE A 60 10.740 -2.401 -0.560 1.00 0.46 H new ATOM 0 HA ILE A 60 10.465 0.157 -1.541 1.00 0.42 H new ATOM 0 HB ILE A 60 8.599 -1.429 -1.104 1.00 0.53 H new ATOM 0 HG12 ILE A 60 8.351 1.176 0.435 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.089 0.965 -1.285 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.773 -1.788 1.195 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.434 -2.394 0.992 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.146 -0.852 1.832 1.00 0.62 H new ATOM 0 HD11 ILE A 60 5.968 1.062 -0.082 1.00 0.69 H new ATOM 0 HD12 ILE A 60 6.193 -0.539 -0.827 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.458 -0.325 0.920 1.00 0.69 H new ATOM 868 N GLU A 61 11.296 0.076 1.606 1.00 0.49 N ATOM 869 CA GLU A 61 11.627 0.831 2.798 1.00 0.60 C ATOM 870 C GLU A 61 12.908 1.640 2.610 1.00 0.58 C ATOM 871 O GLU A 61 13.171 2.581 3.359 1.00 0.71 O ATOM 872 CB GLU A 61 11.745 -0.124 3.990 1.00 0.83 C ATOM 873 CG GLU A 61 12.355 -1.473 3.633 1.00 0.73 C ATOM 874 CD GLU A 61 12.701 -2.307 4.843 1.00 1.47 C ATOM 875 OE1 GLU A 61 11.923 -3.221 5.173 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.760 -2.065 5.455 1.00 1.82 O ATOM 0 H GLU A 61 11.471 -0.925 1.690 1.00 0.49 H new ATOM 0 HA GLU A 61 10.827 1.546 2.993 1.00 0.60 H new ATOM 0 HB2 GLU A 61 12.352 0.347 4.763 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.755 -0.284 4.416 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.656 -2.026 3.006 1.00 0.73 H new ATOM 0 HG3 GLU A 61 13.256 -1.312 3.041 1.00 0.73 H new ATOM 883 N ASP A 62 13.702 1.277 1.613 1.00 0.54 N ATOM 884 CA ASP A 62 14.907 2.031 1.287 1.00 0.60 C ATOM 885 C ASP A 62 14.748 2.742 -0.047 1.00 0.51 C ATOM 886 O ASP A 62 15.684 3.363 -0.555 1.00 0.65 O ATOM 887 CB ASP A 62 16.138 1.121 1.257 1.00 0.75 C ATOM 888 CG ASP A 62 16.619 0.755 2.647 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.324 1.571 3.275 1.00 1.22 O ATOM 890 OD2 ASP A 62 16.302 -0.357 3.115 1.00 1.98 O ATOM 0 H ASP A 62 13.535 0.467 1.016 1.00 0.54 H new ATOM 0 HA ASP A 62 15.054 2.777 2.068 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.901 0.211 0.706 1.00 0.75 H new ATOM 0 HB3 ASP A 62 16.942 1.620 0.717 1.00 0.75 H new ATOM 895 N GLU A 63 13.557 2.647 -0.618 1.00 0.40 N ATOM 896 CA GLU A 63 13.274 3.288 -1.891 1.00 0.40 C ATOM 897 C GLU A 63 12.618 4.643 -1.666 1.00 0.34 C ATOM 898 O GLU A 63 12.931 5.626 -2.335 1.00 0.42 O ATOM 899 CB GLU A 63 12.352 2.404 -2.737 1.00 0.43 C ATOM 900 CG GLU A 63 12.194 2.888 -4.167 1.00 0.64 C ATOM 901 CD GLU A 63 13.506 2.940 -4.923 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.306 3.872 -4.678 1.00 2.09 O ATOM 903 OE2 GLU A 63 13.747 2.060 -5.769 1.00 1.68 O ATOM 0 H GLU A 63 12.772 2.132 -0.219 1.00 0.40 H new ATOM 0 HA GLU A 63 14.216 3.432 -2.421 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.745 1.388 -2.747 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.370 2.361 -2.266 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.504 2.229 -4.694 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.745 3.881 -4.161 1.00 0.64 H new ATOM 910 N CYS A 64 11.720 4.695 -0.699 1.00 0.29 N ATOM 911 CA CYS A 64 10.928 5.887 -0.460 1.00 0.32 C ATOM 912 C CYS A 64 11.412 6.613 0.791 1.00 0.40 C ATOM 913 O CYS A 64 12.399 6.209 1.408 1.00 0.60 O ATOM 914 CB CYS A 64 9.474 5.486 -0.280 1.00 0.33 C ATOM 915 SG CYS A 64 9.149 4.696 1.329 1.00 0.47 S ATOM 0 H CYS A 64 11.521 3.922 -0.064 1.00 0.29 H new ATOM 0 HA CYS A 64 11.032 6.558 -1.312 1.00 0.32 H new ATOM 0 HB2 CYS A 64 8.844 6.370 -0.379 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.190 4.801 -1.079 1.00 0.33 H new ATOM 920 N LYS A 65 10.717 7.683 1.158 1.00 0.43 N ATOM 921 CA LYS A 65 11.036 8.419 2.372 1.00 0.51 C ATOM 922 C LYS A 65 9.777 8.572 3.231 1.00 0.45 C ATOM 923 O LYS A 65 9.565 9.597 3.882 1.00 0.60 O ATOM 924 CB LYS A 65 11.630 9.789 2.011 1.00 0.69 C ATOM 925 CG LYS A 65 12.320 10.498 3.166 1.00 1.41 C ATOM 926 CD LYS A 65 13.561 9.744 3.612 1.00 1.33 C ATOM 927 CE LYS A 65 14.245 10.430 4.785 1.00 1.77 C ATOM 928 NZ LYS A 65 13.326 10.613 5.937 1.00 2.32 N ATOM 0 H LYS A 65 9.929 8.059 0.631 1.00 0.43 H new ATOM 0 HA LYS A 65 11.779 7.868 2.949 1.00 0.51 H new ATOM 0 HB2 LYS A 65 12.347 9.659 1.200 1.00 0.69 H new ATOM 0 HB3 LYS A 65 10.833 10.429 1.632 1.00 0.69 H new ATOM 0 HG2 LYS A 65 12.595 11.509 2.864 1.00 1.41 H new ATOM 0 HG3 LYS A 65 11.628 10.593 4.003 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.287 8.727 3.894 1.00 1.33 H new ATOM 0 HD3 LYS A 65 14.259 9.666 2.778 1.00 1.33 H new ATOM 0 HE2 LYS A 65 15.106 9.839 5.098 1.00 1.77 H new ATOM 0 HE3 LYS A 65 14.624 11.401 4.466 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 13.876 10.860 6.784 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 12.653 11.378 5.726 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 12.804 9.730 6.108 1.00 2.32 H new ATOM 942 N ASN A 66 8.935 7.542 3.219 1.00 0.35 N ATOM 943 CA ASN A 66 7.709 7.529 4.015 1.00 0.30 C ATOM 944 C ASN A 66 7.546 6.186 4.714 1.00 0.29 C ATOM 945 O ASN A 66 8.462 5.363 4.696 1.00 0.41 O ATOM 946 CB ASN A 66 6.475 7.834 3.156 1.00 0.36 C ATOM 947 CG ASN A 66 6.374 9.299 2.776 1.00 0.59 C ATOM 948 OD1 ASN A 66 5.860 10.111 3.543 1.00 1.06 O ATOM 949 ND2 ASN A 66 6.845 9.645 1.590 1.00 1.02 N ATOM 0 H ASN A 66 9.080 6.699 2.663 1.00 0.35 H new ATOM 0 HA ASN A 66 7.794 8.314 4.766 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.510 7.229 2.250 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.577 7.541 3.700 1.00 0.36 H new ATOM 0 HD21 ASN A 66 6.789 10.616 1.282 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.264 8.941 0.983 1.00 1.02 H new ATOM 956 N THR A 67 6.386 5.959 5.321 1.00 0.28 N ATOM 957 CA THR A 67 6.167 4.760 6.105 1.00 0.27 C ATOM 958 C THR A 67 5.822 3.561 5.230 1.00 0.25 C ATOM 959 O THR A 67 4.889 3.602 4.426 1.00 0.26 O ATOM 960 CB THR A 67 5.057 4.957 7.152 1.00 0.29 C ATOM 961 OG1 THR A 67 5.394 6.052 8.019 1.00 0.34 O ATOM 962 CG2 THR A 67 4.870 3.687 7.973 1.00 0.31 C ATOM 0 H THR A 67 5.587 6.592 5.282 1.00 0.28 H new ATOM 0 HA THR A 67 7.108 4.561 6.618 1.00 0.27 H new ATOM 0 HB THR A 67 4.124 5.180 6.635 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.683 6.174 8.683 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.081 3.842 8.709 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.593 2.865 7.313 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.801 3.444 8.485 1.00 0.31 H new ATOM 970 N PRO A 68 6.600 2.488 5.385 1.00 0.28 N ATOM 971 CA PRO A 68 6.338 1.208 4.741 1.00 0.30 C ATOM 972 C PRO A 68 5.015 0.606 5.206 1.00 0.25 C ATOM 973 O PRO A 68 4.853 0.277 6.387 1.00 0.28 O ATOM 974 CB PRO A 68 7.488 0.301 5.198 1.00 0.38 C ATOM 975 CG PRO A 68 8.457 1.158 5.944 1.00 0.45 C ATOM 976 CD PRO A 68 7.802 2.475 6.221 1.00 0.38 C ATOM 0 HA PRO A 68 6.273 1.319 3.659 1.00 0.30 H new ATOM 0 HB2 PRO A 68 7.115 -0.502 5.834 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.971 -0.169 4.341 1.00 0.38 H new ATOM 0 HG2 PRO A 68 8.751 0.676 6.877 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.366 1.301 5.359 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.549 2.575 7.276 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.464 3.304 5.972 1.00 0.38 H new ATOM 984 N THR A 69 4.065 0.470 4.295 1.00 0.23 N ATOM 985 CA THR A 69 2.793 -0.144 4.622 1.00 0.21 C ATOM 986 C THR A 69 2.442 -1.179 3.563 1.00 0.23 C ATOM 987 O THR A 69 2.981 -1.152 2.456 1.00 0.29 O ATOM 988 CB THR A 69 1.644 0.891 4.712 1.00 0.24 C ATOM 989 OG1 THR A 69 1.370 1.438 3.425 1.00 0.31 O ATOM 990 CG2 THR A 69 1.968 2.029 5.669 1.00 0.30 C ATOM 0 H THR A 69 4.152 0.776 3.326 1.00 0.23 H new ATOM 0 HA THR A 69 2.901 -0.611 5.601 1.00 0.21 H new ATOM 0 HB THR A 69 0.771 0.360 5.093 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.202 1.498 2.911 1.00 0.31 H new ATOM 0 HG21 THR A 69 1.133 2.729 5.698 1.00 0.30 H new ATOM 0 HG22 THR A 69 2.140 1.627 6.667 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.864 2.548 5.328 1.00 0.30 H new ATOM 998 N CYS A 70 1.561 -2.095 3.906 1.00 0.23 N ATOM 999 CA CYS A 70 1.061 -3.059 2.945 1.00 0.27 C ATOM 1000 C CYS A 70 -0.446 -2.954 2.843 1.00 0.22 C ATOM 1001 O CYS A 70 -1.164 -3.072 3.837 1.00 0.27 O ATOM 1002 CB CYS A 70 1.506 -4.464 3.315 1.00 0.38 C ATOM 1003 SG CYS A 70 3.291 -4.696 3.054 1.00 1.26 S ATOM 0 H CYS A 70 1.175 -2.193 4.845 1.00 0.23 H new ATOM 0 HA CYS A 70 1.479 -2.836 1.964 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.263 -4.659 4.359 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.954 -5.190 2.718 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.908 -2.710 1.636 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.301 -2.421 1.377 1.00 0.19 C ATOM 1010 C CYS A 71 -3.007 -3.643 0.842 1.00 0.21 C ATOM 1011 O CYS A 71 -2.446 -4.433 0.084 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.397 -1.283 0.365 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.424 0.194 0.806 1.00 0.29 S ATOM 0 H CYS A 71 -0.323 -2.707 0.801 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.782 -2.128 2.310 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -2.064 -1.647 -0.607 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.443 -0.996 0.256 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.241 -3.789 1.260 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.089 -4.853 0.790 1.00 0.24 C ATOM 1020 C GLU A 72 -5.610 -4.515 -0.605 1.00 0.25 C ATOM 1021 O GLU A 72 -6.082 -5.383 -1.340 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.218 -5.049 1.788 1.00 0.27 C ATOM 1023 CG GLU A 72 -5.739 -5.593 3.123 1.00 1.10 C ATOM 1024 CD GLU A 72 -4.895 -6.843 2.990 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -3.684 -6.718 2.714 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -5.440 -7.957 3.139 1.00 1.37 O ATOM 0 H GLU A 72 -4.685 -3.170 1.938 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.533 -5.787 0.712 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.723 -4.097 1.950 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.955 -5.733 1.366 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -5.160 -4.824 3.634 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -6.603 -5.811 3.750 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.508 -3.234 -0.950 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.794 -2.749 -2.295 1.00 0.24 C ATOM 1035 C ASP A 73 -5.230 -1.340 -2.442 1.00 0.22 C ATOM 1036 O ASP A 73 -5.041 -0.656 -1.440 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.290 -2.730 -2.570 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.578 -2.864 -4.046 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.022 -3.947 -4.466 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -7.340 -1.905 -4.795 1.00 1.03 O ATOM 0 H ASP A 73 -5.223 -2.501 -0.301 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.329 -3.423 -3.015 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.772 -3.544 -2.028 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.719 -1.800 -2.197 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.937 -0.914 -3.668 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.430 0.440 -3.909 1.00 0.30 C ATOM 1047 C VAL A 74 -4.867 0.929 -5.287 1.00 0.43 C ATOM 1048 O VAL A 74 -4.697 0.223 -6.283 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.879 0.555 -3.843 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.477 1.884 -3.233 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.242 -0.584 -3.070 1.00 1.07 C ATOM 0 H VAL A 74 -5.040 -1.482 -4.509 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.849 1.049 -3.108 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.512 0.494 -4.868 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.390 1.952 -3.193 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.869 2.698 -3.843 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.883 1.959 -2.224 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.160 -0.454 -3.056 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.621 -0.587 -2.048 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.487 -1.531 -3.550 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.422 2.131 -5.344 1.00 0.33 N ATOM 1062 CA GLU A 75 -5.815 2.727 -6.615 1.00 0.46 C ATOM 1063 C GLU A 75 -4.721 3.673 -7.108 1.00 0.50 C ATOM 1064 O GLU A 75 -3.824 4.046 -6.340 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.149 3.472 -6.477 1.00 0.54 C ATOM 1066 CG GLU A 75 -7.759 3.869 -7.814 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.173 4.388 -7.691 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.390 5.372 -6.958 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.076 3.823 -8.345 1.00 1.85 O ATOM 0 H GLU A 75 -5.611 2.713 -4.528 1.00 0.33 H new ATOM 0 HA GLU A 75 -5.948 1.930 -7.347 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -7.855 2.841 -5.937 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -6.996 4.368 -5.875 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -7.137 4.635 -8.277 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -7.752 3.006 -8.480 1.00 0.98 H new ATOM 1076 N ASP A 76 -4.795 4.048 -8.388 1.00 0.61 N ATOM 1077 CA ASP A 76 -3.784 4.895 -9.022 1.00 0.65 C ATOM 1078 C ASP A 76 -2.459 4.148 -9.074 1.00 0.67 C ATOM 1079 O ASP A 76 -2.439 2.916 -9.073 1.00 0.69 O ATOM 1080 CB ASP A 76 -3.611 6.234 -8.277 1.00 0.61 C ATOM 1081 CG ASP A 76 -4.862 7.094 -8.287 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -5.487 7.253 -7.217 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -5.241 7.594 -9.365 1.00 1.15 O ATOM 0 H ASP A 76 -5.555 3.774 -9.011 1.00 0.61 H new ATOM 0 HA ASP A 76 -4.119 5.126 -10.033 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -3.325 6.033 -7.245 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -2.792 6.791 -8.732 1.00 0.61 H new ATOM 1088 N ASP A 77 -1.350 4.875 -9.112 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.032 4.248 -9.017 1.00 0.77 C ATOM 1090 C ASP A 77 0.213 3.767 -7.583 1.00 0.67 C ATOM 1091 O ASP A 77 1.262 3.213 -7.261 1.00 0.81 O ATOM 1092 CB ASP A 77 1.070 5.227 -9.450 1.00 0.89 C ATOM 1093 CG ASP A 77 2.448 4.583 -9.481 1.00 1.36 C ATOM 1094 OD1 ASP A 77 2.684 3.720 -10.354 1.00 1.59 O ATOM 1095 OD2 ASP A 77 3.296 4.933 -8.633 1.00 2.12 O ATOM 0 H ASP A 77 -1.333 5.890 -9.207 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.005 3.390 -9.689 1.00 0.77 H new ATOM 0 HB2 ASP A 77 0.834 5.619 -10.439 1.00 0.89 H new ATOM 0 HB3 ASP A 77 1.085 6.076 -8.766 1.00 0.89 H new ATOM 1100 N GLY A 78 -0.791 3.950 -6.737 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.669 3.585 -5.345 1.00 0.44 C ATOM 1102 C GLY A 78 -0.892 4.765 -4.420 1.00 0.33 C ATOM 1103 O GLY A 78 -0.395 4.781 -3.302 1.00 0.35 O ATOM 0 H GLY A 78 -1.694 4.348 -6.995 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.391 2.802 -5.112 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.322 3.168 -5.166 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.618 5.768 -4.902 1.00 0.27 N ATOM 1108 CA LEU A 79 -1.891 6.968 -4.120 1.00 0.22 C ATOM 1109 C LEU A 79 -3.008 6.739 -3.108 1.00 0.19 C ATOM 1110 O LEU A 79 -3.043 7.379 -2.063 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.294 8.125 -5.038 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.202 8.730 -5.939 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -0.190 9.506 -5.117 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.496 7.676 -6.780 1.00 0.94 C ATOM 0 H LEU A 79 -2.030 5.773 -5.835 1.00 0.27 H new ATOM 0 HA LEU A 79 -0.974 7.215 -3.585 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.105 7.779 -5.679 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.697 8.924 -4.416 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.704 9.414 -6.623 1.00 0.32 H new ATOM 0 HD11 LEU A 79 0.571 9.923 -5.776 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -0.694 10.314 -4.587 1.00 1.10 H new ATOM 0 HD13 LEU A 79 0.282 8.838 -4.396 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.265 8.153 -7.398 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.024 6.944 -6.125 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -1.222 7.175 -7.421 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.933 5.852 -3.427 1.00 0.19 N ATOM 1127 CA VAL A 80 -5.053 5.586 -2.537 1.00 0.20 C ATOM 1128 C VAL A 80 -5.032 4.139 -2.088 1.00 0.20 C ATOM 1129 O VAL A 80 -5.394 3.242 -2.847 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.401 5.904 -3.216 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.566 5.612 -2.280 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.428 7.353 -3.675 1.00 0.33 C ATOM 0 H VAL A 80 -3.933 5.306 -4.289 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.949 6.237 -1.669 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.507 5.260 -4.089 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.504 5.845 -2.783 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.555 4.558 -2.003 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.474 6.224 -1.383 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.384 7.566 -4.153 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.298 8.010 -2.815 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.621 7.524 -4.387 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.591 3.914 -0.862 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.444 2.564 -0.378 1.00 0.21 C ATOM 1144 C GLY A 81 -5.533 2.161 0.585 1.00 0.20 C ATOM 1145 O GLY A 81 -5.910 2.925 1.474 1.00 0.26 O ATOM 0 H GLY A 81 -4.333 4.642 -0.196 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.444 1.878 -1.225 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.476 2.464 0.114 1.00 0.21 H new ATOM 1149 N ILE A 82 -6.034 0.953 0.392 1.00 0.18 N ATOM 1150 CA ILE A 82 -7.045 0.371 1.252 1.00 0.17 C ATOM 1151 C ILE A 82 -6.389 -0.576 2.242 1.00 0.17 C ATOM 1152 O ILE A 82 -5.682 -1.503 1.840 1.00 0.19 O ATOM 1153 CB ILE A 82 -8.107 -0.402 0.424 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -9.191 0.540 -0.103 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.735 -1.525 1.235 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.679 1.576 -1.075 1.00 0.30 C ATOM 0 H ILE A 82 -5.746 0.344 -0.374 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.545 1.179 1.785 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.591 -0.845 -0.428 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.966 -0.051 -0.591 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.660 1.047 0.740 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.474 -2.045 0.625 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.961 -2.227 1.545 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.221 -1.109 2.117 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.505 2.206 -1.404 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.925 2.193 -0.586 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -8.236 1.078 -1.938 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.600 -0.320 3.530 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.113 -1.210 4.578 1.00 0.21 C ATOM 1170 C ASN A 83 -4.596 -1.329 4.529 1.00 0.22 C ATOM 1171 O ASN A 83 -4.047 -2.429 4.553 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.762 -2.591 4.451 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.142 -2.647 5.069 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.455 -1.894 5.993 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -8.976 -3.543 4.568 1.00 0.29 N ATOM 0 H ASN A 83 -7.105 0.497 3.873 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.389 -0.782 5.542 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.829 -2.861 3.397 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.124 -3.333 4.930 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -9.919 -3.630 4.947 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.676 -4.147 3.803 1.00 0.29 H new ATOM 1182 N CYS A 84 -3.927 -0.191 4.439 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.475 -0.170 4.390 1.00 0.23 C ATOM 1184 C CYS A 84 -1.897 -0.213 5.793 1.00 0.25 C ATOM 1185 O CYS A 84 -1.696 0.820 6.432 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.976 1.070 3.659 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.673 1.269 1.990 1.00 0.81 S ATOM 0 H CYS A 84 -4.366 0.729 4.398 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.142 -1.052 3.843 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.219 1.952 4.252 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.889 1.025 3.586 1.00 0.26 H new ATOM 1192 N THR A 85 -1.650 -1.416 6.270 1.00 0.25 N ATOM 1193 CA THR A 85 -1.099 -1.612 7.595 1.00 0.28 C ATOM 1194 C THR A 85 0.404 -1.361 7.583 1.00 0.24 C ATOM 1195 O THR A 85 1.121 -1.913 6.743 1.00 0.23 O ATOM 1196 CB THR A 85 -1.380 -3.040 8.096 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.758 -3.367 7.872 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.062 -3.167 9.580 1.00 0.44 C ATOM 0 H THR A 85 -1.824 -2.279 5.755 1.00 0.25 H new ATOM 0 HA THR A 85 -1.577 -0.902 8.270 1.00 0.28 H new ATOM 0 HB THR A 85 -0.742 -3.730 7.544 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.934 -4.277 8.190 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.269 -4.185 9.911 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.010 -2.938 9.748 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.680 -2.469 10.145 1.00 0.44 H new ATOM 1206 N PRO A 86 0.897 -0.502 8.488 1.00 0.26 N ATOM 1207 CA PRO A 86 2.325 -0.230 8.621 1.00 0.28 C ATOM 1208 C PRO A 86 3.069 -1.473 9.078 1.00 0.33 C ATOM 1209 O PRO A 86 2.930 -1.913 10.219 1.00 0.39 O ATOM 1210 CB PRO A 86 2.392 0.877 9.680 1.00 0.37 C ATOM 1211 CG PRO A 86 1.009 1.427 9.747 1.00 0.35 C ATOM 1212 CD PRO A 86 0.110 0.272 9.456 1.00 0.29 C ATOM 0 HA PRO A 86 2.790 0.065 7.680 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.707 0.482 10.646 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.111 1.648 9.401 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.801 1.849 10.730 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.869 2.227 9.020 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.113 -0.306 10.353 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.844 0.594 9.039 1.00 0.29 H new ATOM 1220 N ILE A 87 3.846 -2.036 8.176 1.00 0.37 N ATOM 1221 CA ILE A 87 4.481 -3.311 8.408 1.00 0.47 C ATOM 1222 C ILE A 87 5.758 -3.168 9.217 1.00 0.57 C ATOM 1223 O ILE A 87 6.460 -2.160 9.115 1.00 0.56 O ATOM 1224 CB ILE A 87 4.796 -4.016 7.081 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.444 -3.040 6.091 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.525 -4.620 6.508 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.026 -3.707 4.864 1.00 0.49 C ATOM 0 H ILE A 87 4.053 -1.623 7.267 1.00 0.37 H new ATOM 0 HA ILE A 87 3.776 -3.914 8.980 1.00 0.47 H new ATOM 0 HB ILE A 87 5.509 -4.820 7.263 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.699 -2.309 5.776 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.234 -2.490 6.603 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.752 -5.120 5.566 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.116 -5.344 7.213 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.794 -3.831 6.333 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.466 -2.951 4.213 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.795 -4.417 5.166 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.237 -4.234 4.327 1.00 0.49 H new ATOM 1239 N PRO A 88 6.057 -4.174 10.051 1.00 0.73 N ATOM 1240 CA PRO A 88 7.287 -4.227 10.830 1.00 0.86 C ATOM 1241 C PRO A 88 8.478 -4.567 9.953 1.00 0.92 C ATOM 1242 O PRO A 88 8.356 -5.316 8.980 1.00 0.96 O ATOM 1243 CB PRO A 88 7.034 -5.362 11.833 1.00 1.05 C ATOM 1244 CG PRO A 88 5.583 -5.648 11.738 1.00 1.04 C ATOM 1245 CD PRO A 88 5.228 -5.350 10.321 1.00 0.85 C ATOM 0 HA PRO A 88 7.518 -3.273 11.303 1.00 0.86 H new ATOM 0 HB2 PRO A 88 7.626 -6.244 11.588 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.311 -5.063 12.844 1.00 1.05 H new ATOM 0 HG2 PRO A 88 5.367 -6.686 11.990 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.011 -5.027 12.428 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.465 -6.180 9.656 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.165 -5.139 10.200 1.00 0.85 H new ATOM 1253 N LEU A 89 9.623 -4.034 10.316 1.00 1.01 N ATOM 1254 CA LEU A 89 10.848 -4.239 9.559 1.00 1.13 C ATOM 1255 C LEU A 89 11.604 -5.440 10.102 1.00 1.31 C ATOM 1256 O LEU A 89 12.837 -5.445 10.160 1.00 1.45 O ATOM 1257 CB LEU A 89 11.728 -2.995 9.659 1.00 1.16 C ATOM 1258 CG LEU A 89 11.044 -1.683 9.262 1.00 1.10 C ATOM 1259 CD1 LEU A 89 12.014 -0.519 9.370 1.00 1.23 C ATOM 1260 CD2 LEU A 89 10.480 -1.774 7.852 1.00 1.13 C ATOM 0 H LEU A 89 9.736 -3.446 11.142 1.00 1.01 H new ATOM 0 HA LEU A 89 10.592 -4.422 8.515 1.00 1.13 H new ATOM 0 HB2 LEU A 89 12.087 -2.904 10.684 1.00 1.16 H new ATOM 0 HB3 LEU A 89 12.604 -3.136 9.026 1.00 1.16 H new ATOM 0 HG LEU A 89 10.218 -1.510 9.952 1.00 1.10 H new ATOM 0 HD11 LEU A 89 11.509 0.403 9.084 1.00 1.23 H new ATOM 0 HD12 LEU A 89 12.368 -0.435 10.397 1.00 1.23 H new ATOM 0 HD13 LEU A 89 12.862 -0.689 8.706 1.00 1.23 H new ATOM 0 HD21 LEU A 89 9.999 -0.831 7.591 1.00 1.13 H new ATOM 0 HD22 LEU A 89 11.288 -1.976 7.149 1.00 1.13 H new ATOM 0 HD23 LEU A 89 9.748 -2.580 7.804 1.00 1.13 H new ATOM 1272 N ILE A 90 10.865 -6.456 10.509 1.00 1.37 N ATOM 1273 CA ILE A 90 11.455 -7.598 11.169 1.00 1.60 C ATOM 1274 C ILE A 90 10.956 -8.906 10.560 1.00 1.73 C ATOM 1275 O ILE A 90 11.800 -9.689 10.073 1.00 2.31 O ATOM 1276 CB ILE A 90 11.176 -7.557 12.687 1.00 1.67 C ATOM 1277 CG1 ILE A 90 9.675 -7.431 12.967 1.00 1.60 C ATOM 1278 CG2 ILE A 90 11.936 -6.395 13.319 1.00 1.68 C ATOM 1279 CD1 ILE A 90 9.320 -7.478 14.437 1.00 1.78 C ATOM 1280 OXT ILE A 90 9.729 -9.132 10.540 1.00 1.86 O ATOM 0 H ILE A 90 9.853 -6.510 10.392 1.00 1.37 H new ATOM 0 HA ILE A 90 12.534 -7.551 11.019 1.00 1.60 H new ATOM 0 HB ILE A 90 11.520 -8.492 13.129 1.00 1.67 H new ATOM 0 HG12 ILE A 90 9.314 -6.493 12.546 1.00 1.60 H new ATOM 0 HG13 ILE A 90 9.150 -8.235 12.451 1.00 1.60 H new ATOM 0 HG21 ILE A 90 11.736 -6.369 14.390 1.00 1.68 H new ATOM 0 HG22 ILE A 90 13.005 -6.526 13.152 1.00 1.68 H new ATOM 0 HG23 ILE A 90 11.610 -5.458 12.867 1.00 1.68 H new ATOM 0 HD11 ILE A 90 8.240 -7.383 14.554 1.00 1.78 H new ATOM 0 HD12 ILE A 90 9.648 -8.427 14.860 1.00 1.78 H new ATOM 0 HD13 ILE A 90 9.815 -6.658 14.957 1.00 1.78 H new TER 1292 ILE A 90