USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 65 GLN : amide:sc= 0.0041 X(o=0.0078,f=0.21) USER MOD Set 1.2: A 72 THR OG1 : rot -160:sc= 0.00367 USER MOD Set 2.1: A 24 THR OG1 : rot -69:sc= 2.25 USER MOD Set 2.2: A 26 THR OG1 : rot -93:sc= 1.06 USER MOD Set 3.1: A 18 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.24) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 11 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.023) USER MOD Set 4.2: A 15 SER OG : rot -130:sc= 0 USER MOD Single : A 5 THR OG1 : rot 49:sc= 0.181 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 142:sc= -0.205 (180deg=-0.803) USER MOD Single : A 14 ASN : amide:sc= -0.221 K(o=-0.22,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.16! C(o=-1.2!,f=-2.1!) USER MOD Single : A 27 GLN : amide:sc= -0.0658 K(o=-0.066,f=-2.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 104:sc= 1.12 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.048 (180deg=-0.411) USER MOD Single : A 47 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.42) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 51 SER OG : rot 65:sc= 0.87 USER MOD Single : A 52 SER OG : rot 70:sc= 0.584 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.016 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 18:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -5.158 -7.239 -5.709 1.00 0.57 N ATOM 32 CA GLU A 3 -4.448 -7.217 -4.444 1.00 0.47 C ATOM 33 C GLU A 3 -3.189 -8.055 -4.547 1.00 0.42 C ATOM 34 O GLU A 3 -3.099 -8.954 -5.384 1.00 0.50 O ATOM 35 CB GLU A 3 -5.324 -7.745 -3.308 1.00 0.58 C ATOM 36 CG GLU A 3 -6.542 -6.890 -3.017 1.00 0.70 C ATOM 37 CD GLU A 3 -7.363 -7.447 -1.879 1.00 1.26 C ATOM 38 OE1 GLU A 3 -8.127 -8.407 -2.100 1.00 1.35 O ATOM 39 OE2 GLU A 3 -7.262 -6.910 -0.754 1.00 1.99 O ATOM 0 HA GLU A 3 -4.185 -6.183 -4.221 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.653 -8.754 -3.556 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.721 -7.819 -2.403 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.224 -5.876 -2.773 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.161 -6.823 -3.912 1.00 0.70 H new ATOM 46 N TRP A 4 -2.227 -7.767 -3.695 1.00 0.36 N ATOM 47 CA TRP A 4 -0.970 -8.490 -3.698 1.00 0.38 C ATOM 48 C TRP A 4 -0.632 -8.943 -2.290 1.00 0.34 C ATOM 49 O TRP A 4 -1.121 -8.372 -1.311 1.00 0.34 O ATOM 50 CB TRP A 4 0.162 -7.601 -4.227 1.00 0.45 C ATOM 51 CG TRP A 4 -0.062 -7.083 -5.613 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.281 -7.697 -6.782 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.669 -5.839 -5.977 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.079 -6.911 -7.849 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.662 -5.765 -7.380 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.216 -4.776 -5.250 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.187 -4.678 -8.075 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.737 -3.697 -5.938 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.717 -3.654 -7.338 1.00 0.65 C ATOM 0 H TRP A 4 -2.291 -7.034 -2.988 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.075 -9.358 -4.349 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.291 -6.755 -3.551 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.093 -8.168 -4.209 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.765 -8.660 -6.857 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.065 -7.144 -8.832 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.231 -4.799 -4.170 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.176 -4.645 -9.154 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.167 -2.873 -5.387 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.129 -2.795 -7.846 1.00 0.65 H new ATOM 70 N THR A 5 0.199 -9.966 -2.187 1.00 0.37 N ATOM 71 CA THR A 5 0.734 -10.369 -0.914 1.00 0.39 C ATOM 72 C THR A 5 2.018 -9.595 -0.668 1.00 0.35 C ATOM 73 O THR A 5 3.085 -9.953 -1.172 1.00 0.44 O ATOM 74 CB THR A 5 1.012 -11.880 -0.902 1.00 0.55 C ATOM 75 OG1 THR A 5 1.636 -12.265 -2.135 1.00 1.13 O ATOM 76 CG2 THR A 5 -0.272 -12.673 -0.703 1.00 1.11 C ATOM 0 H THR A 5 0.514 -10.529 -2.977 1.00 0.37 H new ATOM 0 HA THR A 5 0.013 -10.155 -0.125 1.00 0.39 H new ATOM 0 HB THR A 5 1.679 -12.100 -0.068 1.00 0.55 H new ATOM 0 HG1 THR A 5 2.378 -11.655 -2.330 1.00 1.13 H new ATOM 0 HG21 THR A 5 -0.044 -13.739 -0.699 1.00 1.11 H new ATOM 0 HG22 THR A 5 -0.727 -12.395 0.248 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.965 -12.453 -1.515 1.00 1.11 H new ATOM 84 N LEU A 6 1.898 -8.522 0.094 1.00 0.30 N ATOM 85 CA LEU A 6 2.987 -7.577 0.260 1.00 0.34 C ATOM 86 C LEU A 6 3.541 -7.634 1.667 1.00 0.42 C ATOM 87 O LEU A 6 2.865 -7.245 2.618 1.00 0.75 O ATOM 88 CB LEU A 6 2.497 -6.156 -0.031 1.00 0.42 C ATOM 89 CG LEU A 6 1.886 -5.939 -1.418 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.342 -4.524 -1.541 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.917 -6.206 -2.503 1.00 0.53 C ATOM 0 H LEU A 6 1.051 -8.283 0.610 1.00 0.30 H new ATOM 0 HA LEU A 6 3.777 -7.845 -0.441 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.755 -5.886 0.720 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.336 -5.470 0.089 1.00 0.42 H new ATOM 0 HG LEU A 6 1.062 -6.641 -1.546 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.911 -4.385 -2.532 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.573 -4.363 -0.785 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.151 -3.809 -1.394 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.465 -6.047 -3.482 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.761 -5.527 -2.378 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.266 -7.236 -2.428 1.00 0.53 H new ATOM 103 N ASP A 7 4.762 -8.121 1.796 1.00 0.38 N ATOM 104 CA ASP A 7 5.443 -8.121 3.078 1.00 0.44 C ATOM 105 C ASP A 7 6.325 -6.887 3.180 1.00 0.39 C ATOM 106 O ASP A 7 7.406 -6.833 2.593 1.00 0.46 O ATOM 107 CB ASP A 7 6.265 -9.402 3.271 1.00 0.58 C ATOM 108 CG ASP A 7 5.391 -10.630 3.446 1.00 1.30 C ATOM 109 OD1 ASP A 7 4.821 -10.811 4.545 1.00 1.67 O ATOM 110 OD2 ASP A 7 5.257 -11.410 2.481 1.00 2.12 O ATOM 0 H ASP A 7 5.302 -8.521 1.029 1.00 0.38 H new ATOM 0 HA ASP A 7 4.698 -8.094 3.873 1.00 0.44 H new ATOM 0 HB2 ASP A 7 6.918 -9.544 2.410 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.908 -9.290 4.144 1.00 0.58 H new ATOM 115 N ILE A 8 5.836 -5.882 3.893 1.00 0.35 N ATOM 116 CA ILE A 8 6.549 -4.620 4.026 1.00 0.32 C ATOM 117 C ILE A 8 7.250 -4.544 5.379 1.00 0.30 C ATOM 118 O ILE A 8 6.603 -4.601 6.428 1.00 0.35 O ATOM 119 CB ILE A 8 5.588 -3.419 3.872 1.00 0.37 C ATOM 120 CG1 ILE A 8 4.938 -3.429 2.482 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.314 -2.100 4.111 1.00 0.44 C ATOM 122 CD1 ILE A 8 5.931 -3.365 1.340 1.00 0.91 C ATOM 0 H ILE A 8 4.946 -5.917 4.389 1.00 0.35 H new ATOM 0 HA ILE A 8 7.294 -4.574 3.231 1.00 0.32 H new ATOM 0 HB ILE A 8 4.806 -3.514 4.625 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.338 -4.333 2.379 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.255 -2.583 2.405 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.613 -1.273 3.996 1.00 0.44 H new ATOM 0 HG22 ILE A 8 6.726 -2.089 5.120 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.123 -1.994 3.388 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.395 -3.376 0.391 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.515 -2.448 1.416 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.599 -4.225 1.390 1.00 0.91 H new ATOM 134 N PRO A 9 8.590 -4.437 5.357 1.00 0.26 N ATOM 135 CA PRO A 9 9.415 -4.358 6.570 1.00 0.26 C ATOM 136 C PRO A 9 9.083 -3.151 7.440 1.00 0.27 C ATOM 137 O PRO A 9 8.680 -2.101 6.944 1.00 0.32 O ATOM 138 CB PRO A 9 10.847 -4.229 6.024 1.00 0.29 C ATOM 139 CG PRO A 9 10.776 -4.775 4.644 1.00 0.35 C ATOM 140 CD PRO A 9 9.415 -4.402 4.137 1.00 0.29 C ATOM 0 HA PRO A 9 9.255 -5.224 7.213 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.178 -3.190 6.022 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.556 -4.788 6.635 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.559 -4.353 4.014 1.00 0.35 H new ATOM 0 HG3 PRO A 9 10.913 -5.856 4.642 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.412 -3.415 3.675 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.056 -5.106 3.386 1.00 0.29 H new ATOM 148 N ALA A 10 9.275 -3.315 8.742 1.00 0.30 N ATOM 149 CA ALA A 10 9.066 -2.235 9.702 1.00 0.33 C ATOM 150 C ALA A 10 10.394 -1.583 10.042 1.00 0.35 C ATOM 151 O ALA A 10 10.593 -1.059 11.141 1.00 0.43 O ATOM 152 CB ALA A 10 8.381 -2.759 10.956 1.00 0.41 C ATOM 0 H ALA A 10 9.578 -4.194 9.162 1.00 0.30 H new ATOM 0 HA ALA A 10 8.415 -1.484 9.254 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.234 -1.940 11.660 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.415 -3.187 10.691 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.003 -3.526 11.417 1.00 0.41 H new ATOM 158 N GLN A 11 11.296 -1.624 9.078 1.00 0.34 N ATOM 159 CA GLN A 11 12.613 -1.035 9.220 1.00 0.40 C ATOM 160 C GLN A 11 12.606 0.348 8.580 1.00 0.35 C ATOM 161 O GLN A 11 11.544 0.956 8.445 1.00 0.37 O ATOM 162 CB GLN A 11 13.655 -1.937 8.551 1.00 0.53 C ATOM 163 CG GLN A 11 13.641 -3.362 9.083 1.00 0.96 C ATOM 164 CD GLN A 11 14.549 -4.300 8.305 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.095 -5.255 8.861 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.711 -4.043 7.016 1.00 0.90 N ATOM 0 H GLN A 11 11.135 -2.068 8.174 1.00 0.34 H new ATOM 0 HA GLN A 11 12.870 -0.938 10.275 1.00 0.40 H new ATOM 0 HB2 GLN A 11 13.475 -1.955 7.476 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.646 -1.509 8.701 1.00 0.53 H new ATOM 0 HG2 GLN A 11 13.947 -3.355 10.129 1.00 0.96 H new ATOM 0 HG3 GLN A 11 12.621 -3.745 9.051 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.242 -3.242 6.593 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.305 -4.646 6.447 1.00 0.90 H new ATOM 175 N SER A 12 13.774 0.846 8.203 1.00 0.38 N ATOM 176 CA SER A 12 13.866 2.115 7.493 1.00 0.40 C ATOM 177 C SER A 12 13.002 2.090 6.234 1.00 0.36 C ATOM 178 O SER A 12 12.882 1.058 5.565 1.00 0.34 O ATOM 179 CB SER A 12 15.316 2.400 7.112 1.00 0.50 C ATOM 180 OG SER A 12 16.147 2.447 8.257 1.00 1.30 O ATOM 0 H SER A 12 14.671 0.392 8.376 1.00 0.38 H new ATOM 0 HA SER A 12 13.505 2.903 8.153 1.00 0.40 H new ATOM 0 HB2 SER A 12 15.674 1.628 6.431 1.00 0.50 H new ATOM 0 HB3 SER A 12 15.375 3.348 6.578 1.00 0.50 H new ATOM 0 HG SER A 12 17.070 2.629 7.984 1.00 1.30 H new ATOM 186 N MET A 13 12.396 3.236 5.934 1.00 0.42 N ATOM 187 CA MET A 13 11.565 3.416 4.743 1.00 0.46 C ATOM 188 C MET A 13 12.294 2.945 3.485 1.00 0.42 C ATOM 189 O MET A 13 11.667 2.499 2.525 1.00 0.45 O ATOM 190 CB MET A 13 11.180 4.890 4.606 1.00 0.61 C ATOM 191 CG MET A 13 10.085 5.151 3.587 1.00 0.68 C ATOM 192 SD MET A 13 8.521 4.374 4.038 1.00 1.29 S ATOM 193 CE MET A 13 8.199 5.143 5.624 1.00 1.00 C ATOM 0 H MET A 13 12.467 4.072 6.513 1.00 0.42 H new ATOM 0 HA MET A 13 10.665 2.812 4.855 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.854 5.261 5.578 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.065 5.462 4.327 1.00 0.61 H new ATOM 0 HG2 MET A 13 9.937 6.226 3.485 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.404 4.780 2.613 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.132 5.341 5.722 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.519 4.475 6.424 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.750 6.081 5.692 1.00 1.00 H new ATOM 203 N ASN A 14 13.622 3.050 3.505 1.00 0.41 N ATOM 204 CA ASN A 14 14.465 2.590 2.401 1.00 0.45 C ATOM 205 C ASN A 14 14.189 1.126 2.074 1.00 0.41 C ATOM 206 O ASN A 14 14.156 0.736 0.904 1.00 0.47 O ATOM 207 CB ASN A 14 15.952 2.750 2.751 1.00 0.52 C ATOM 208 CG ASN A 14 16.370 4.191 2.972 1.00 1.32 C ATOM 209 OD1 ASN A 14 15.579 5.025 3.415 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.624 4.491 2.670 1.00 1.85 N ATOM 0 H ASN A 14 14.143 3.455 4.283 1.00 0.41 H new ATOM 0 HA ASN A 14 14.226 3.203 1.532 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.169 2.175 3.651 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.554 2.325 1.948 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.967 5.443 2.802 1.00 1.85 H new ATOM 0 HD22 ASN A 14 18.247 3.770 2.305 1.00 1.85 H new ATOM 217 N SER A 15 13.970 0.324 3.110 1.00 0.36 N ATOM 218 CA SER A 15 13.769 -1.107 2.946 1.00 0.36 C ATOM 219 C SER A 15 12.342 -1.377 2.487 1.00 0.32 C ATOM 220 O SER A 15 12.106 -2.172 1.576 1.00 0.32 O ATOM 221 CB SER A 15 14.054 -1.826 4.273 1.00 0.38 C ATOM 222 OG SER A 15 14.228 -3.218 4.085 1.00 1.20 O ATOM 0 H SER A 15 13.927 0.645 4.077 1.00 0.36 H new ATOM 0 HA SER A 15 14.456 -1.486 2.189 1.00 0.36 H new ATOM 0 HB2 SER A 15 14.950 -1.405 4.730 1.00 0.38 H new ATOM 0 HB3 SER A 15 13.231 -1.652 4.966 1.00 0.38 H new ATOM 0 HG SER A 15 13.665 -3.707 4.721 1.00 1.20 H new ATOM 228 N ALA A 16 11.398 -0.684 3.113 1.00 0.31 N ATOM 229 CA ALA A 16 9.985 -0.835 2.796 1.00 0.32 C ATOM 230 C ALA A 16 9.690 -0.475 1.343 1.00 0.30 C ATOM 231 O ALA A 16 9.028 -1.232 0.630 1.00 0.29 O ATOM 232 CB ALA A 16 9.152 0.031 3.726 1.00 0.38 C ATOM 0 H ALA A 16 11.590 -0.006 3.850 1.00 0.31 H new ATOM 0 HA ALA A 16 9.721 -1.883 2.937 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.096 -0.086 3.484 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.324 -0.274 4.758 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.438 1.076 3.604 1.00 0.38 H new ATOM 238 N LEU A 17 10.194 0.673 0.905 1.00 0.31 N ATOM 239 CA LEU A 17 9.944 1.150 -0.450 1.00 0.33 C ATOM 240 C LEU A 17 10.478 0.170 -1.494 1.00 0.32 C ATOM 241 O LEU A 17 9.772 -0.187 -2.435 1.00 0.35 O ATOM 242 CB LEU A 17 10.571 2.531 -0.657 1.00 0.38 C ATOM 243 CG LEU A 17 9.982 3.647 0.211 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.694 4.964 -0.050 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.487 3.792 -0.039 1.00 0.73 C ATOM 0 H LEU A 17 10.778 1.291 1.469 1.00 0.31 H new ATOM 0 HA LEU A 17 8.864 1.227 -0.579 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.640 2.462 -0.457 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.461 2.810 -1.705 1.00 0.38 H new ATOM 0 HG LEU A 17 10.131 3.377 1.256 1.00 0.46 H new ATOM 0 HD11 LEU A 17 10.260 5.743 0.577 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.753 4.858 0.185 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.580 5.237 -1.099 1.00 0.92 H new ATOM 0 HD21 LEU A 17 8.089 4.590 0.588 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.315 4.034 -1.088 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.985 2.855 0.204 1.00 0.73 H new ATOM 257 N GLN A 18 11.717 -0.273 -1.319 1.00 0.34 N ATOM 258 CA GLN A 18 12.331 -1.199 -2.269 1.00 0.39 C ATOM 259 C GLN A 18 11.621 -2.549 -2.273 1.00 0.33 C ATOM 260 O GLN A 18 11.497 -3.187 -3.319 1.00 0.34 O ATOM 261 CB GLN A 18 13.819 -1.372 -1.961 1.00 0.49 C ATOM 262 CG GLN A 18 14.623 -0.098 -2.178 1.00 1.07 C ATOM 263 CD GLN A 18 14.573 0.386 -3.617 1.00 1.51 C ATOM 264 OE1 GLN A 18 15.418 0.030 -4.434 1.00 2.06 O ATOM 265 NE2 GLN A 18 13.581 1.201 -3.938 1.00 2.19 N ATOM 0 H GLN A 18 12.314 -0.010 -0.535 1.00 0.34 H new ATOM 0 HA GLN A 18 12.228 -0.771 -3.266 1.00 0.39 H new ATOM 0 HB2 GLN A 18 13.935 -1.697 -0.927 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.225 -2.163 -2.591 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.241 0.684 -1.522 1.00 1.07 H new ATOM 0 HG3 GLN A 18 15.660 -0.274 -1.894 1.00 1.07 H new ATOM 0 HE21 GLN A 18 12.897 1.475 -3.232 1.00 2.19 H new ATOM 0 HE22 GLN A 18 13.500 1.555 -4.891 1.00 2.19 H new ATOM 274 N ALA A 19 11.142 -2.973 -1.111 1.00 0.29 N ATOM 275 CA ALA A 19 10.383 -4.211 -1.013 1.00 0.28 C ATOM 276 C ALA A 19 9.065 -4.090 -1.768 1.00 0.26 C ATOM 277 O ALA A 19 8.652 -5.011 -2.471 1.00 0.28 O ATOM 278 CB ALA A 19 10.128 -4.569 0.443 1.00 0.31 C ATOM 0 H ALA A 19 11.265 -2.480 -0.227 1.00 0.29 H new ATOM 0 HA ALA A 19 10.970 -5.009 -1.466 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.559 -5.497 0.495 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.080 -4.697 0.958 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.562 -3.769 0.921 1.00 0.31 H new ATOM 284 N LEU A 20 8.421 -2.936 -1.636 1.00 0.27 N ATOM 285 CA LEU A 20 7.150 -2.684 -2.301 1.00 0.32 C ATOM 286 C LEU A 20 7.342 -2.630 -3.813 1.00 0.33 C ATOM 287 O LEU A 20 6.527 -3.154 -4.578 1.00 0.36 O ATOM 288 CB LEU A 20 6.550 -1.370 -1.797 1.00 0.38 C ATOM 289 CG LEU A 20 5.165 -1.029 -2.350 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.145 -2.073 -1.924 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.735 0.354 -1.890 1.00 0.95 C ATOM 0 H LEU A 20 8.761 -2.157 -1.072 1.00 0.27 H new ATOM 0 HA LEU A 20 6.465 -3.499 -2.069 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.489 -1.411 -0.709 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.233 -0.558 -2.047 1.00 0.38 H new ATOM 0 HG LEU A 20 5.221 -1.030 -3.439 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.167 -1.812 -2.328 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.445 -3.050 -2.303 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.091 -2.106 -0.836 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.748 0.581 -2.292 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.698 0.380 -0.801 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.451 1.095 -2.246 1.00 0.95 H new ATOM 303 N ALA A 21 8.448 -2.016 -4.227 1.00 0.33 N ATOM 304 CA ALA A 21 8.757 -1.836 -5.641 1.00 0.39 C ATOM 305 C ALA A 21 8.924 -3.188 -6.320 1.00 0.38 C ATOM 306 O ALA A 21 8.393 -3.430 -7.405 1.00 0.44 O ATOM 307 CB ALA A 21 10.015 -1.001 -5.807 1.00 0.44 C ATOM 0 H ALA A 21 9.151 -1.632 -3.595 1.00 0.33 H new ATOM 0 HA ALA A 21 7.928 -1.309 -6.114 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.231 -0.876 -6.868 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.865 -0.023 -5.350 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.852 -1.504 -5.323 1.00 0.44 H new ATOM 313 N LYS A 22 9.675 -4.060 -5.663 1.00 0.36 N ATOM 314 CA LYS A 22 9.906 -5.415 -6.141 1.00 0.42 C ATOM 315 C LYS A 22 8.603 -6.209 -6.210 1.00 0.37 C ATOM 316 O LYS A 22 8.361 -6.948 -7.163 1.00 0.47 O ATOM 317 CB LYS A 22 10.903 -6.118 -5.213 1.00 0.53 C ATOM 318 CG LYS A 22 11.092 -7.599 -5.506 1.00 1.22 C ATOM 319 CD LYS A 22 12.097 -8.232 -4.551 1.00 1.84 C ATOM 320 CE LYS A 22 11.671 -8.078 -3.098 1.00 2.65 C ATOM 321 NZ LYS A 22 12.683 -8.631 -2.159 1.00 3.41 N ATOM 0 H LYS A 22 10.142 -3.847 -4.782 1.00 0.36 H new ATOM 0 HA LYS A 22 10.316 -5.361 -7.149 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.868 -5.618 -5.290 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.566 -6.003 -4.183 1.00 0.53 H new ATOM 0 HG2 LYS A 22 10.134 -8.113 -5.422 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.433 -7.727 -6.533 1.00 1.22 H new ATOM 0 HD2 LYS A 22 12.206 -9.290 -4.787 1.00 1.84 H new ATOM 0 HD3 LYS A 22 13.074 -7.771 -4.694 1.00 1.84 H new ATOM 0 HE2 LYS A 22 11.510 -7.023 -2.877 1.00 2.65 H new ATOM 0 HE3 LYS A 22 10.718 -8.585 -2.944 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 12.354 -8.506 -1.181 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 12.818 -9.644 -2.352 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 13.586 -8.130 -2.287 1.00 3.41 H new ATOM 335 N GLN A 23 7.758 -6.033 -5.206 1.00 0.33 N ATOM 336 CA GLN A 23 6.558 -6.849 -5.062 1.00 0.39 C ATOM 337 C GLN A 23 5.410 -6.393 -5.964 1.00 0.40 C ATOM 338 O GLN A 23 4.500 -7.171 -6.239 1.00 0.49 O ATOM 339 CB GLN A 23 6.112 -6.867 -3.600 1.00 0.52 C ATOM 340 CG GLN A 23 7.014 -7.704 -2.704 1.00 0.76 C ATOM 341 CD GLN A 23 6.703 -7.537 -1.230 1.00 0.78 C ATOM 342 OE1 GLN A 23 6.861 -8.465 -0.440 1.00 1.52 O ATOM 343 NE2 GLN A 23 6.287 -6.342 -0.840 1.00 1.29 N ATOM 0 H GLN A 23 7.880 -5.331 -4.476 1.00 0.33 H new ATOM 0 HA GLN A 23 6.820 -7.858 -5.382 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.085 -5.845 -3.223 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.095 -7.254 -3.543 1.00 0.52 H new ATOM 0 HG2 GLN A 23 6.912 -8.755 -2.975 1.00 0.76 H new ATOM 0 HG3 GLN A 23 8.053 -7.428 -2.884 1.00 0.76 H new ATOM 0 HE21 GLN A 23 6.167 -5.595 -1.524 1.00 1.29 H new ATOM 0 HE22 GLN A 23 6.086 -6.168 0.145 1.00 1.29 H new ATOM 352 N THR A 24 5.432 -5.148 -6.424 1.00 0.38 N ATOM 353 CA THR A 24 4.363 -4.660 -7.294 1.00 0.47 C ATOM 354 C THR A 24 4.883 -4.247 -8.670 1.00 0.48 C ATOM 355 O THR A 24 4.141 -3.700 -9.485 1.00 0.76 O ATOM 356 CB THR A 24 3.605 -3.475 -6.660 1.00 0.54 C ATOM 357 OG1 THR A 24 4.531 -2.464 -6.234 1.00 0.62 O ATOM 358 CG2 THR A 24 2.768 -3.933 -5.474 1.00 0.62 C ATOM 0 H THR A 24 6.162 -4.467 -6.216 1.00 0.38 H new ATOM 0 HA THR A 24 3.675 -5.496 -7.419 1.00 0.47 H new ATOM 0 HB THR A 24 2.938 -3.060 -7.416 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.054 -2.798 -5.475 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.245 -3.078 -5.046 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.041 -4.674 -5.806 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.418 -4.375 -4.719 1.00 0.62 H new ATOM 366 N ASP A 25 6.167 -4.529 -8.910 1.00 0.41 N ATOM 367 CA ASP A 25 6.846 -4.175 -10.162 1.00 0.49 C ATOM 368 C ASP A 25 6.649 -2.697 -10.494 1.00 0.49 C ATOM 369 O ASP A 25 6.322 -2.331 -11.624 1.00 0.72 O ATOM 370 CB ASP A 25 6.355 -5.056 -11.319 1.00 0.68 C ATOM 371 CG ASP A 25 7.269 -4.980 -12.528 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.411 -5.485 -12.462 1.00 1.57 O ATOM 373 OD2 ASP A 25 6.841 -4.421 -13.561 1.00 2.11 O ATOM 0 H ASP A 25 6.767 -5.010 -8.240 1.00 0.41 H new ATOM 0 HA ASP A 25 7.912 -4.353 -10.024 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.287 -6.090 -10.982 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.350 -4.748 -11.606 1.00 0.68 H new ATOM 378 N THR A 26 6.849 -1.850 -9.501 1.00 0.34 N ATOM 379 CA THR A 26 6.646 -0.422 -9.664 1.00 0.40 C ATOM 380 C THR A 26 7.964 0.339 -9.554 1.00 0.38 C ATOM 381 O THR A 26 8.955 -0.185 -9.045 1.00 0.40 O ATOM 382 CB THR A 26 5.659 0.105 -8.608 1.00 0.46 C ATOM 383 OG1 THR A 26 5.984 -0.443 -7.324 1.00 0.76 O ATOM 384 CG2 THR A 26 4.227 -0.250 -8.974 1.00 0.72 C ATOM 0 H THR A 26 7.154 -2.128 -8.568 1.00 0.34 H new ATOM 0 HA THR A 26 6.232 -0.259 -10.659 1.00 0.40 H new ATOM 0 HB THR A 26 5.743 1.191 -8.572 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.457 -1.255 -7.172 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.550 0.134 -8.211 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.977 0.194 -9.938 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.125 -1.333 -9.037 1.00 0.72 H new ATOM 392 N GLN A 27 7.974 1.570 -10.048 1.00 0.41 N ATOM 393 CA GLN A 27 9.144 2.423 -9.940 1.00 0.44 C ATOM 394 C GLN A 27 8.903 3.485 -8.880 1.00 0.46 C ATOM 395 O GLN A 27 7.930 4.237 -8.954 1.00 0.47 O ATOM 396 CB GLN A 27 9.466 3.081 -11.284 1.00 0.50 C ATOM 397 CG GLN A 27 10.673 4.012 -11.232 1.00 1.05 C ATOM 398 CD GLN A 27 11.940 3.307 -10.786 1.00 1.67 C ATOM 399 OE1 GLN A 27 12.225 3.209 -9.590 1.00 2.39 O ATOM 400 NE2 GLN A 27 12.720 2.830 -11.741 1.00 2.31 N ATOM 0 H GLN A 27 7.182 1.998 -10.528 1.00 0.41 H new ATOM 0 HA GLN A 27 9.998 1.810 -9.651 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.649 2.303 -12.026 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.596 3.645 -11.621 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.833 4.448 -12.218 1.00 1.05 H new ATOM 0 HG3 GLN A 27 10.462 4.836 -10.550 1.00 1.05 H new ATOM 0 HE21 GLN A 27 12.449 2.931 -12.719 1.00 2.31 H new ATOM 0 HE22 GLN A 27 13.593 2.361 -11.500 1.00 2.31 H new ATOM 409 N LEU A 28 9.792 3.547 -7.903 1.00 0.51 N ATOM 410 CA LEU A 28 9.641 4.477 -6.796 1.00 0.55 C ATOM 411 C LEU A 28 10.759 5.506 -6.801 1.00 0.58 C ATOM 412 O LEU A 28 11.944 5.166 -6.785 1.00 0.71 O ATOM 413 CB LEU A 28 9.610 3.742 -5.449 1.00 0.69 C ATOM 414 CG LEU A 28 8.259 3.126 -5.062 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.900 1.960 -5.966 1.00 1.51 C ATOM 416 CD2 LEU A 28 8.267 2.686 -3.608 1.00 1.30 C ATOM 0 H LEU A 28 10.627 2.964 -7.854 1.00 0.51 H new ATOM 0 HA LEU A 28 8.688 4.990 -6.927 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.358 2.949 -5.470 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.908 4.440 -4.667 1.00 0.69 H new ATOM 0 HG LEU A 28 7.498 3.895 -5.190 1.00 0.78 H new ATOM 0 HD11 LEU A 28 6.937 1.548 -5.663 1.00 1.51 H new ATOM 0 HD12 LEU A 28 7.839 2.305 -6.998 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.666 1.189 -5.886 1.00 1.51 H new ATOM 0 HD21 LEU A 28 7.300 2.252 -3.354 1.00 1.30 H new ATOM 0 HD22 LEU A 28 9.049 1.942 -3.457 1.00 1.30 H new ATOM 0 HD23 LEU A 28 8.457 3.548 -2.968 1.00 1.30 H new ATOM 428 N LEU A 29 10.366 6.762 -6.827 1.00 0.53 N ATOM 429 CA LEU A 29 11.294 7.868 -6.791 1.00 0.60 C ATOM 430 C LEU A 29 11.225 8.529 -5.429 1.00 0.63 C ATOM 431 O LEU A 29 10.185 9.059 -5.047 1.00 0.66 O ATOM 432 CB LEU A 29 10.946 8.878 -7.886 1.00 0.65 C ATOM 433 CG LEU A 29 11.110 8.365 -9.316 1.00 1.17 C ATOM 434 CD1 LEU A 29 10.738 9.448 -10.318 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.533 7.884 -9.546 1.00 2.03 C ATOM 0 H LEU A 29 9.387 7.044 -6.874 1.00 0.53 H new ATOM 0 HA LEU A 29 12.306 7.503 -6.966 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.914 9.199 -7.748 1.00 0.65 H new ATOM 0 HB3 LEU A 29 11.574 9.760 -7.758 1.00 0.65 H new ATOM 0 HG LEU A 29 10.435 7.521 -9.461 1.00 1.17 H new ATOM 0 HD11 LEU A 29 10.861 9.064 -11.331 1.00 1.90 H new ATOM 0 HD12 LEU A 29 9.700 9.744 -10.166 1.00 1.90 H new ATOM 0 HD13 LEU A 29 11.386 10.313 -10.176 1.00 1.90 H new ATOM 0 HD21 LEU A 29 12.634 7.522 -10.569 1.00 2.03 H new ATOM 0 HD22 LEU A 29 13.227 8.709 -9.383 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.761 7.076 -8.851 1.00 2.03 H new ATOM 447 N TYR A 30 12.320 8.484 -4.691 1.00 0.65 N ATOM 448 CA TYR A 30 12.334 8.991 -3.330 1.00 0.72 C ATOM 449 C TYR A 30 13.699 9.553 -2.971 1.00 0.77 C ATOM 450 O TYR A 30 14.730 9.044 -3.413 1.00 0.82 O ATOM 451 CB TYR A 30 11.946 7.884 -2.340 1.00 0.72 C ATOM 452 CG TYR A 30 12.875 6.687 -2.355 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.701 5.662 -3.274 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.926 6.587 -1.451 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.546 4.570 -3.294 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.777 5.498 -1.463 1.00 0.88 C ATOM 457 CZ TYR A 30 14.583 4.494 -2.386 1.00 0.83 C ATOM 458 OH TYR A 30 15.432 3.408 -2.404 1.00 0.96 O ATOM 0 H TYR A 30 13.210 8.102 -5.011 1.00 0.65 H new ATOM 0 HA TYR A 30 11.602 9.796 -3.266 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.926 8.302 -1.334 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.934 7.548 -2.566 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.891 5.719 -3.986 1.00 0.65 H new ATOM 0 HD2 TYR A 30 14.080 7.373 -0.727 1.00 0.80 H new ATOM 0 HE1 TYR A 30 13.397 3.780 -4.015 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.589 5.435 -0.753 1.00 0.88 H new ATOM 0 HH TYR A 30 16.108 3.510 -1.702 1.00 0.96 H new ATOM 468 N SER A 31 13.696 10.607 -2.178 1.00 0.85 N ATOM 469 CA SER A 31 14.925 11.197 -1.692 1.00 0.97 C ATOM 470 C SER A 31 15.129 10.819 -0.224 1.00 0.88 C ATOM 471 O SER A 31 14.304 11.146 0.627 1.00 0.85 O ATOM 472 CB SER A 31 14.860 12.717 -1.847 1.00 1.20 C ATOM 473 OG SER A 31 14.404 13.084 -3.140 1.00 1.78 O ATOM 0 H SER A 31 12.849 11.074 -1.856 1.00 0.85 H new ATOM 0 HA SER A 31 15.767 10.820 -2.272 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.193 13.134 -1.092 1.00 1.20 H new ATOM 0 HB3 SER A 31 15.847 13.145 -1.672 1.00 1.20 H new ATOM 0 HG SER A 31 14.371 14.061 -3.210 1.00 1.78 H new ATOM 479 N PRO A 32 16.231 10.107 0.078 1.00 0.96 N ATOM 480 CA PRO A 32 16.552 9.651 1.438 1.00 0.99 C ATOM 481 C PRO A 32 16.565 10.786 2.460 1.00 1.01 C ATOM 482 O PRO A 32 16.162 10.602 3.608 1.00 1.05 O ATOM 483 CB PRO A 32 17.951 9.045 1.292 1.00 1.23 C ATOM 484 CG PRO A 32 18.045 8.655 -0.141 1.00 1.37 C ATOM 485 CD PRO A 32 17.248 9.677 -0.897 1.00 1.12 C ATOM 0 HA PRO A 32 15.804 8.952 1.812 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.725 9.765 1.558 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.080 8.183 1.946 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.082 8.643 -0.475 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.647 7.653 -0.300 1.00 1.37 H new ATOM 0 HD2 PRO A 32 17.870 10.511 -1.223 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.793 9.251 -1.791 1.00 1.12 H new ATOM 493 N GLU A 33 17.023 11.958 2.042 1.00 1.09 N ATOM 494 CA GLU A 33 17.045 13.130 2.912 1.00 1.26 C ATOM 495 C GLU A 33 15.634 13.669 3.120 1.00 1.23 C ATOM 496 O GLU A 33 15.311 14.230 4.167 1.00 1.39 O ATOM 497 CB GLU A 33 17.914 14.225 2.293 1.00 1.48 C ATOM 498 CG GLU A 33 18.175 15.396 3.223 1.00 1.99 C ATOM 499 CD GLU A 33 19.166 15.053 4.309 1.00 2.43 C ATOM 500 OE1 GLU A 33 18.745 14.455 5.323 1.00 2.96 O ATOM 501 OE2 GLU A 33 20.359 15.398 4.177 1.00 2.83 O ATOM 0 H GLU A 33 17.386 12.125 1.103 1.00 1.09 H new ATOM 0 HA GLU A 33 17.460 12.833 3.875 1.00 1.26 H new ATOM 0 HB2 GLU A 33 18.868 13.792 1.991 1.00 1.48 H new ATOM 0 HB3 GLU A 33 17.430 14.592 1.388 1.00 1.48 H new ATOM 0 HG2 GLU A 33 18.550 16.240 2.645 1.00 1.99 H new ATOM 0 HG3 GLU A 33 17.236 15.713 3.677 1.00 1.99 H new ATOM 508 N ASP A 34 14.787 13.452 2.123 1.00 1.12 N ATOM 509 CA ASP A 34 13.482 14.099 2.053 1.00 1.23 C ATOM 510 C ASP A 34 12.413 13.225 2.707 1.00 1.17 C ATOM 511 O ASP A 34 11.247 13.599 2.790 1.00 1.38 O ATOM 512 CB ASP A 34 13.149 14.376 0.585 1.00 1.33 C ATOM 513 CG ASP A 34 11.996 15.339 0.388 1.00 1.71 C ATOM 514 OD1 ASP A 34 12.039 16.455 0.937 1.00 2.14 O ATOM 515 OD2 ASP A 34 11.058 14.994 -0.356 1.00 2.22 O ATOM 0 H ASP A 34 14.983 12.825 1.342 1.00 1.12 H new ATOM 0 HA ASP A 34 13.507 15.042 2.599 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.034 14.778 0.092 1.00 1.33 H new ATOM 0 HB3 ASP A 34 12.910 13.433 0.093 1.00 1.33 H new ATOM 520 N ILE A 35 12.828 12.053 3.180 1.00 0.97 N ATOM 521 CA ILE A 35 11.927 11.156 3.896 1.00 0.97 C ATOM 522 C ILE A 35 12.287 11.115 5.376 1.00 1.02 C ATOM 523 O ILE A 35 11.569 10.534 6.185 1.00 1.09 O ATOM 524 CB ILE A 35 11.946 9.722 3.319 1.00 0.88 C ATOM 525 CG1 ILE A 35 13.359 9.133 3.388 1.00 0.78 C ATOM 526 CG2 ILE A 35 11.428 9.722 1.885 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.446 7.704 2.897 1.00 0.82 C ATOM 0 H ILE A 35 13.781 11.703 3.080 1.00 0.97 H new ATOM 0 HA ILE A 35 10.919 11.552 3.771 1.00 0.97 H new ATOM 0 HB ILE A 35 11.288 9.095 3.921 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.031 9.753 2.795 1.00 0.78 H new ATOM 0 HG13 ILE A 35 13.711 9.176 4.419 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.447 8.706 1.491 1.00 0.95 H new ATOM 0 HG22 ILE A 35 10.405 10.099 1.868 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.061 10.361 1.270 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.475 7.354 2.975 1.00 0.82 H new ATOM 0 HD12 ILE A 35 12.800 7.070 3.505 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.125 7.657 1.856 1.00 0.82 H new ATOM 539 N GLY A 36 13.415 11.727 5.719 1.00 1.08 N ATOM 540 CA GLY A 36 13.797 11.877 7.114 1.00 1.25 C ATOM 541 C GLY A 36 14.283 10.594 7.767 1.00 1.17 C ATOM 542 O GLY A 36 14.452 10.548 8.985 1.00 1.40 O ATOM 0 H GLY A 36 14.077 12.125 5.052 1.00 1.08 H new ATOM 0 HA2 GLY A 36 14.583 12.628 7.185 1.00 1.25 H new ATOM 0 HA3 GLY A 36 12.942 12.256 7.675 1.00 1.25 H new ATOM 546 N GLY A 37 14.514 9.560 6.966 1.00 0.97 N ATOM 547 CA GLY A 37 14.972 8.285 7.501 1.00 0.96 C ATOM 548 C GLY A 37 13.968 7.659 8.454 1.00 0.88 C ATOM 549 O GLY A 37 14.342 7.078 9.475 1.00 1.05 O ATOM 0 H GLY A 37 14.393 9.579 5.953 1.00 0.97 H new ATOM 0 HA2 GLY A 37 15.164 7.597 6.678 1.00 0.96 H new ATOM 0 HA3 GLY A 37 15.919 8.432 8.021 1.00 0.96 H new ATOM 553 N LEU A 38 12.692 7.774 8.111 1.00 0.77 N ATOM 554 CA LEU A 38 11.615 7.271 8.953 1.00 0.83 C ATOM 555 C LEU A 38 11.460 5.764 8.786 1.00 0.66 C ATOM 556 O LEU A 38 11.911 5.193 7.792 1.00 0.67 O ATOM 557 CB LEU A 38 10.302 7.970 8.591 1.00 1.06 C ATOM 558 CG LEU A 38 10.300 9.490 8.779 1.00 1.05 C ATOM 559 CD1 LEU A 38 9.038 10.100 8.189 1.00 1.72 C ATOM 560 CD2 LEU A 38 10.424 9.849 10.251 1.00 1.20 C ATOM 0 H LEU A 38 12.376 8.215 7.248 1.00 0.77 H new ATOM 0 HA LEU A 38 11.863 7.481 9.993 1.00 0.83 H new ATOM 0 HB2 LEU A 38 10.066 7.748 7.550 1.00 1.06 H new ATOM 0 HB3 LEU A 38 9.503 7.544 9.197 1.00 1.06 H new ATOM 0 HG LEU A 38 11.161 9.900 8.251 1.00 1.05 H new ATOM 0 HD11 LEU A 38 9.055 11.180 8.332 1.00 1.72 H new ATOM 0 HD12 LEU A 38 8.989 9.876 7.123 1.00 1.72 H new ATOM 0 HD13 LEU A 38 8.164 9.681 8.688 1.00 1.72 H new ATOM 0 HD21 LEU A 38 10.421 10.933 10.363 1.00 1.20 H new ATOM 0 HD22 LEU A 38 9.584 9.425 10.801 1.00 1.20 H new ATOM 0 HD23 LEU A 38 11.357 9.446 10.646 1.00 1.20 H new ATOM 572 N ARG A 39 10.829 5.121 9.761 1.00 0.68 N ATOM 573 CA ARG A 39 10.551 3.694 9.668 1.00 0.59 C ATOM 574 C ARG A 39 9.065 3.463 9.456 1.00 0.52 C ATOM 575 O ARG A 39 8.229 4.236 9.928 1.00 0.62 O ATOM 576 CB ARG A 39 11.010 2.938 10.923 1.00 0.66 C ATOM 577 CG ARG A 39 10.306 3.363 12.202 1.00 0.76 C ATOM 578 CD ARG A 39 10.753 2.525 13.393 1.00 1.12 C ATOM 579 NE ARG A 39 10.531 1.092 13.178 1.00 2.00 N ATOM 580 CZ ARG A 39 10.249 0.224 14.154 1.00 2.70 C ATOM 581 NH1 ARG A 39 10.113 0.643 15.407 1.00 2.71 N ATOM 582 NH2 ARG A 39 10.100 -1.063 13.870 1.00 3.77 N ATOM 0 H ARG A 39 10.502 5.562 10.620 1.00 0.68 H new ATOM 0 HA ARG A 39 11.112 3.309 8.816 1.00 0.59 H new ATOM 0 HB2 ARG A 39 10.847 1.871 10.770 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.083 3.082 11.048 1.00 0.66 H new ATOM 0 HG2 ARG A 39 10.512 4.415 12.399 1.00 0.76 H new ATOM 0 HG3 ARG A 39 9.228 3.268 12.073 1.00 0.76 H new ATOM 0 HD2 ARG A 39 11.812 2.702 13.583 1.00 1.12 H new ATOM 0 HD3 ARG A 39 10.212 2.845 14.283 1.00 1.12 H new ATOM 0 HE ARG A 39 10.596 0.735 12.225 1.00 2.00 H new ATOM 0 HH11 ARG A 39 10.224 1.632 15.629 1.00 2.71 H new ATOM 0 HH12 ARG A 39 9.898 -0.025 16.147 1.00 2.71 H new ATOM 0 HH21 ARG A 39 10.201 -1.388 12.908 1.00 3.77 H new ATOM 0 HH22 ARG A 39 9.885 -1.728 14.613 1.00 3.77 H new ATOM 596 N SER A 40 8.748 2.406 8.741 1.00 0.45 N ATOM 597 CA SER A 40 7.374 2.037 8.483 1.00 0.50 C ATOM 598 C SER A 40 6.862 1.095 9.568 1.00 0.49 C ATOM 599 O SER A 40 7.646 0.487 10.299 1.00 0.48 O ATOM 600 CB SER A 40 7.289 1.376 7.110 1.00 0.56 C ATOM 601 OG SER A 40 8.437 0.581 6.871 1.00 0.50 O ATOM 0 H SER A 40 9.435 1.779 8.323 1.00 0.45 H new ATOM 0 HA SER A 40 6.747 2.929 8.494 1.00 0.50 H new ATOM 0 HB2 SER A 40 6.393 0.758 7.052 1.00 0.56 H new ATOM 0 HB3 SER A 40 7.200 2.139 6.337 1.00 0.56 H new ATOM 0 HG SER A 40 8.207 -0.366 6.975 1.00 0.50 H new ATOM 607 N SER A 41 5.550 1.010 9.691 1.00 0.59 N ATOM 608 CA SER A 41 4.928 0.047 10.585 1.00 0.68 C ATOM 609 C SER A 41 4.697 -1.251 9.823 1.00 0.65 C ATOM 610 O SER A 41 4.472 -1.227 8.611 1.00 0.66 O ATOM 611 CB SER A 41 3.605 0.604 11.123 1.00 0.85 C ATOM 612 OG SER A 41 3.072 -0.212 12.158 1.00 1.54 O ATOM 0 H SER A 41 4.891 1.598 9.181 1.00 0.59 H new ATOM 0 HA SER A 41 5.581 -0.146 11.436 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.763 1.614 11.501 1.00 0.85 H new ATOM 0 HB3 SER A 41 2.883 0.677 10.309 1.00 0.85 H new ATOM 0 HG SER A 41 2.230 0.174 12.478 1.00 1.54 H new ATOM 618 N ALA A 42 4.792 -2.375 10.531 1.00 0.69 N ATOM 619 CA ALA A 42 4.678 -3.696 9.920 1.00 0.72 C ATOM 620 C ALA A 42 3.377 -3.841 9.136 1.00 0.63 C ATOM 621 O ALA A 42 2.309 -4.049 9.715 1.00 0.66 O ATOM 622 CB ALA A 42 4.782 -4.781 10.983 1.00 0.84 C ATOM 0 H ALA A 42 4.949 -2.395 11.539 1.00 0.69 H new ATOM 0 HA ALA A 42 5.502 -3.809 9.216 1.00 0.72 H new ATOM 0 HB1 ALA A 42 4.695 -5.761 10.513 1.00 0.84 H new ATOM 0 HB2 ALA A 42 5.745 -4.705 11.488 1.00 0.84 H new ATOM 0 HB3 ALA A 42 3.980 -4.656 11.711 1.00 0.84 H new ATOM 628 N LEU A 43 3.477 -3.728 7.818 1.00 0.59 N ATOM 629 CA LEU A 43 2.321 -3.859 6.948 1.00 0.54 C ATOM 630 C LEU A 43 2.572 -4.976 5.942 1.00 0.45 C ATOM 631 O LEU A 43 2.965 -4.725 4.805 1.00 0.51 O ATOM 632 CB LEU A 43 2.062 -2.536 6.211 1.00 0.65 C ATOM 633 CG LEU A 43 0.682 -2.399 5.562 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.379 -2.152 6.620 1.00 1.42 C ATOM 635 CD2 LEU A 43 0.682 -1.278 4.537 1.00 1.42 C ATOM 0 H LEU A 43 4.353 -3.545 7.328 1.00 0.59 H new ATOM 0 HA LEU A 43 1.443 -4.101 7.547 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.195 -1.716 6.917 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.821 -2.417 5.438 1.00 0.65 H new ATOM 0 HG LEU A 43 0.449 -3.332 5.049 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.354 -2.057 6.142 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.397 -2.988 7.319 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.148 -1.233 7.159 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -0.307 -1.196 4.087 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.937 -0.338 5.026 1.00 1.42 H new ATOM 0 HD23 LEU A 43 1.417 -1.494 3.761 1.00 1.42 H new ATOM 647 N LYS A 44 2.330 -6.210 6.351 1.00 0.43 N ATOM 648 CA LYS A 44 2.607 -7.355 5.502 1.00 0.43 C ATOM 649 C LYS A 44 1.407 -8.293 5.442 1.00 0.41 C ATOM 650 O LYS A 44 1.045 -8.946 6.421 1.00 0.50 O ATOM 651 CB LYS A 44 3.884 -8.076 5.954 1.00 0.61 C ATOM 652 CG LYS A 44 3.883 -8.565 7.391 1.00 0.88 C ATOM 653 CD LYS A 44 5.275 -9.017 7.794 1.00 1.15 C ATOM 654 CE LYS A 44 5.261 -9.822 9.079 1.00 1.77 C ATOM 655 NZ LYS A 44 4.539 -11.110 8.914 1.00 2.43 N ATOM 0 H LYS A 44 1.943 -6.444 7.265 1.00 0.43 H new ATOM 0 HA LYS A 44 2.783 -6.997 4.488 1.00 0.43 H new ATOM 0 HB2 LYS A 44 4.050 -8.930 5.298 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.729 -7.401 5.819 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.546 -7.768 8.053 1.00 0.88 H new ATOM 0 HG3 LYS A 44 3.179 -9.390 7.501 1.00 0.88 H new ATOM 0 HD2 LYS A 44 5.707 -9.619 6.994 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.917 -8.145 7.919 1.00 1.15 H new ATOM 0 HE2 LYS A 44 6.285 -10.017 9.397 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.788 -9.238 9.869 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 4.839 -11.774 9.656 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 3.515 -10.946 8.989 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 4.757 -11.513 7.981 1.00 2.43 H new ATOM 669 N GLY A 45 0.795 -8.340 4.271 1.00 0.37 N ATOM 670 CA GLY A 45 -0.473 -9.018 4.103 1.00 0.37 C ATOM 671 C GLY A 45 -1.044 -8.750 2.729 1.00 0.33 C ATOM 672 O GLY A 45 -0.314 -8.338 1.825 1.00 0.34 O ATOM 0 H GLY A 45 1.161 -7.913 3.420 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.339 -10.091 4.244 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.175 -8.682 4.866 1.00 0.37 H new ATOM 676 N ARG A 46 -2.344 -8.938 2.573 1.00 0.35 N ATOM 677 CA ARG A 46 -2.998 -8.640 1.307 1.00 0.36 C ATOM 678 C ARG A 46 -3.363 -7.166 1.283 1.00 0.34 C ATOM 679 O ARG A 46 -4.281 -6.732 1.980 1.00 0.48 O ATOM 680 CB ARG A 46 -4.263 -9.480 1.112 1.00 0.49 C ATOM 681 CG ARG A 46 -3.998 -10.929 0.756 1.00 0.97 C ATOM 682 CD ARG A 46 -5.296 -11.672 0.473 1.00 1.13 C ATOM 683 NE ARG A 46 -6.101 -11.004 -0.554 1.00 1.77 N ATOM 684 CZ ARG A 46 -6.475 -11.573 -1.703 1.00 2.26 C ATOM 685 NH1 ARG A 46 -6.076 -12.802 -1.997 1.00 2.15 N ATOM 686 NH2 ARG A 46 -7.241 -10.905 -2.560 1.00 3.27 N ATOM 0 H ARG A 46 -2.965 -9.293 3.301 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.310 -8.882 0.497 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -4.854 -9.445 2.027 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.867 -9.029 0.325 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -3.349 -10.979 -0.119 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.468 -11.416 1.574 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.069 -12.688 0.151 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -5.876 -11.751 1.393 1.00 1.13 H new ATOM 0 HE ARG A 46 -6.394 -10.043 -0.380 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -5.482 -13.315 -1.345 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -6.363 -13.235 -2.875 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -7.544 -9.956 -2.341 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -7.526 -11.341 -3.437 1.00 3.27 H new ATOM 700 N HIS A 47 -2.627 -6.392 0.505 1.00 0.32 N ATOM 701 CA HIS A 47 -2.803 -4.949 0.493 1.00 0.45 C ATOM 702 C HIS A 47 -2.814 -4.417 -0.932 1.00 0.43 C ATOM 703 O HIS A 47 -2.102 -4.920 -1.803 1.00 0.46 O ATOM 704 CB HIS A 47 -1.685 -4.261 1.287 1.00 0.68 C ATOM 705 CG HIS A 47 -1.658 -4.601 2.746 1.00 1.01 C ATOM 706 ND1 HIS A 47 -0.623 -5.296 3.339 1.00 1.79 N ATOM 707 CD2 HIS A 47 -2.539 -4.326 3.738 1.00 1.21 C ATOM 708 CE1 HIS A 47 -0.872 -5.435 4.629 1.00 1.98 C ATOM 709 NE2 HIS A 47 -2.024 -4.856 4.897 1.00 1.57 N ATOM 0 H HIS A 47 -1.903 -6.737 -0.126 1.00 0.32 H new ATOM 0 HA HIS A 47 -3.762 -4.728 0.961 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -0.725 -4.531 0.846 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -1.793 -3.182 1.181 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -3.471 -3.791 3.637 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -0.238 -5.939 5.343 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -2.463 -4.808 5.816 1.00 1.57 H new ATOM 718 N ASP A 48 -3.649 -3.414 -1.157 1.00 0.47 N ATOM 719 CA ASP A 48 -3.666 -2.676 -2.414 1.00 0.55 C ATOM 720 C ASP A 48 -2.535 -1.650 -2.417 1.00 0.48 C ATOM 721 O ASP A 48 -2.194 -1.119 -1.358 1.00 0.44 O ATOM 722 CB ASP A 48 -5.028 -1.988 -2.592 1.00 0.70 C ATOM 723 CG ASP A 48 -5.007 -0.857 -3.601 1.00 1.20 C ATOM 724 OD1 ASP A 48 -5.150 -1.136 -4.811 1.00 1.80 O ATOM 725 OD2 ASP A 48 -4.846 0.314 -3.193 1.00 1.86 O ATOM 0 H ASP A 48 -4.334 -3.088 -0.475 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.516 -3.363 -3.247 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.763 -2.730 -2.905 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.358 -1.599 -1.629 1.00 0.70 H new ATOM 730 N LEU A 49 -1.950 -1.379 -3.576 1.00 0.50 N ATOM 731 CA LEU A 49 -0.763 -0.524 -3.658 1.00 0.51 C ATOM 732 C LEU A 49 -1.039 0.858 -3.071 1.00 0.42 C ATOM 733 O LEU A 49 -0.359 1.292 -2.133 1.00 0.43 O ATOM 734 CB LEU A 49 -0.303 -0.389 -5.113 1.00 0.61 C ATOM 735 CG LEU A 49 0.933 0.489 -5.333 1.00 0.73 C ATOM 736 CD1 LEU A 49 2.149 -0.113 -4.646 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.198 0.677 -6.821 1.00 1.18 C ATOM 0 H LEU A 49 -2.274 -1.736 -4.475 1.00 0.50 H new ATOM 0 HA LEU A 49 0.029 -0.994 -3.074 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.095 -1.385 -5.504 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.126 0.018 -5.700 1.00 0.61 H new ATOM 0 HG LEU A 49 0.740 1.467 -4.892 1.00 0.73 H new ATOM 0 HD11 LEU A 49 3.016 0.526 -4.815 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.960 -0.193 -3.576 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.344 -1.104 -5.055 1.00 1.16 H new ATOM 0 HD21 LEU A 49 2.080 1.303 -6.957 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.367 -0.294 -7.286 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.337 1.157 -7.286 1.00 1.18 H new ATOM 749 N GLN A 50 -2.044 1.533 -3.621 1.00 0.41 N ATOM 750 CA GLN A 50 -2.413 2.875 -3.181 1.00 0.42 C ATOM 751 C GLN A 50 -2.773 2.874 -1.699 1.00 0.39 C ATOM 752 O GLN A 50 -2.393 3.777 -0.952 1.00 0.41 O ATOM 753 CB GLN A 50 -3.598 3.393 -4.002 1.00 0.52 C ATOM 754 CG GLN A 50 -3.371 3.352 -5.505 1.00 1.21 C ATOM 755 CD GLN A 50 -4.564 3.857 -6.290 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.299 4.735 -5.838 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.771 3.298 -7.472 1.00 2.39 N ATOM 0 H GLN A 50 -2.622 1.169 -4.379 1.00 0.41 H new ATOM 0 HA GLN A 50 -1.557 3.533 -3.333 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.481 2.800 -3.761 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -3.812 4.420 -3.705 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -2.497 3.954 -5.753 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.149 2.328 -5.807 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -4.139 2.573 -7.811 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -5.563 3.592 -8.044 1.00 2.39 H new ATOM 766 N SER A 51 -3.494 1.843 -1.283 1.00 0.41 N ATOM 767 CA SER A 51 -3.902 1.696 0.104 1.00 0.46 C ATOM 768 C SER A 51 -2.688 1.575 1.027 1.00 0.41 C ATOM 769 O SER A 51 -2.641 2.207 2.079 1.00 0.43 O ATOM 770 CB SER A 51 -4.805 0.471 0.250 1.00 0.57 C ATOM 771 OG SER A 51 -5.909 0.548 -0.641 1.00 1.33 O ATOM 0 H SER A 51 -3.810 1.090 -1.894 1.00 0.41 H new ATOM 0 HA SER A 51 -4.456 2.588 0.397 1.00 0.46 H new ATOM 0 HB2 SER A 51 -4.232 -0.434 0.049 1.00 0.57 H new ATOM 0 HB3 SER A 51 -5.165 0.399 1.276 1.00 0.57 H new ATOM 0 HG SER A 51 -5.587 0.504 -1.566 1.00 1.33 H new ATOM 777 N SER A 52 -1.704 0.776 0.618 1.00 0.40 N ATOM 778 CA SER A 52 -0.490 0.584 1.406 1.00 0.43 C ATOM 779 C SER A 52 0.234 1.911 1.614 1.00 0.41 C ATOM 780 O SER A 52 0.682 2.220 2.720 1.00 0.45 O ATOM 781 CB SER A 52 0.435 -0.418 0.710 1.00 0.49 C ATOM 782 OG SER A 52 -0.238 -1.638 0.452 1.00 1.21 O ATOM 0 H SER A 52 -1.725 0.251 -0.256 1.00 0.40 H new ATOM 0 HA SER A 52 -0.771 0.189 2.382 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.797 0.006 -0.226 1.00 0.49 H new ATOM 0 HB3 SER A 52 1.309 -0.606 1.334 1.00 0.49 H new ATOM 0 HG SER A 52 -0.912 -1.499 -0.246 1.00 1.21 H new ATOM 788 N LEU A 53 0.323 2.694 0.546 1.00 0.39 N ATOM 789 CA LEU A 53 0.955 4.004 0.604 1.00 0.41 C ATOM 790 C LEU A 53 0.178 4.931 1.531 1.00 0.40 C ATOM 791 O LEU A 53 0.763 5.656 2.332 1.00 0.46 O ATOM 792 CB LEU A 53 1.039 4.618 -0.796 1.00 0.44 C ATOM 793 CG LEU A 53 1.902 3.845 -1.794 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.795 4.460 -3.180 1.00 0.70 C ATOM 795 CD2 LEU A 53 3.354 3.823 -1.337 1.00 0.56 C ATOM 0 H LEU A 53 -0.037 2.442 -0.375 1.00 0.39 H new ATOM 0 HA LEU A 53 1.964 3.880 0.997 1.00 0.41 H new ATOM 0 HB2 LEU A 53 0.030 4.701 -1.200 1.00 0.44 H new ATOM 0 HB3 LEU A 53 1.432 5.631 -0.708 1.00 0.44 H new ATOM 0 HG LEU A 53 1.537 2.819 -1.841 1.00 0.51 H new ATOM 0 HD11 LEU A 53 2.416 3.897 -3.877 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.757 4.430 -3.512 1.00 0.70 H new ATOM 0 HD13 LEU A 53 2.135 5.495 -3.146 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.954 3.269 -2.059 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.727 4.844 -1.262 1.00 0.56 H new ATOM 0 HD23 LEU A 53 3.421 3.340 -0.362 1.00 0.56 H new ATOM 807 N ARG A 54 -1.145 4.884 1.423 1.00 0.38 N ATOM 808 CA ARG A 54 -2.016 5.719 2.238 1.00 0.43 C ATOM 809 C ARG A 54 -1.885 5.365 3.718 1.00 0.42 C ATOM 810 O ARG A 54 -1.739 6.247 4.557 1.00 0.48 O ATOM 811 CB ARG A 54 -3.467 5.566 1.777 1.00 0.51 C ATOM 812 CG ARG A 54 -4.453 6.446 2.529 1.00 1.10 C ATOM 813 CD ARG A 54 -5.846 6.356 1.925 1.00 1.31 C ATOM 814 NE ARG A 54 -6.354 4.984 1.913 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.217 4.512 1.016 1.00 2.48 C ATOM 816 NH1 ARG A 54 -7.711 5.309 0.077 1.00 2.70 N ATOM 817 NH2 ARG A 54 -7.597 3.241 1.077 1.00 3.38 N ATOM 0 H ARG A 54 -1.639 4.272 0.774 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.712 6.759 2.114 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.526 5.799 0.714 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -3.766 4.524 1.892 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.488 6.144 3.576 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -4.111 7.481 2.507 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -6.528 6.989 2.492 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -5.824 6.743 0.906 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.025 4.348 2.639 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.430 6.289 0.040 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.372 4.942 -0.608 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -7.228 2.633 1.808 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.258 2.873 0.393 1.00 3.38 H new ATOM 831 N ILE A 55 -1.929 4.074 4.032 1.00 0.42 N ATOM 832 CA ILE A 55 -1.806 3.618 5.414 1.00 0.47 C ATOM 833 C ILE A 55 -0.460 4.023 6.014 1.00 0.49 C ATOM 834 O ILE A 55 -0.410 4.703 7.041 1.00 0.59 O ATOM 835 CB ILE A 55 -1.968 2.084 5.529 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.352 1.653 5.037 1.00 0.59 C ATOM 837 CG2 ILE A 55 -1.748 1.632 6.966 1.00 0.66 C ATOM 838 CD1 ILE A 55 -3.553 0.152 5.018 1.00 1.24 C ATOM 0 H ILE A 55 -2.049 3.325 3.350 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.610 4.100 5.971 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.216 1.609 4.899 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.111 2.104 5.676 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.508 2.044 4.032 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -1.866 0.550 7.029 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -0.742 1.907 7.284 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.478 2.115 7.615 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -4.556 -0.076 4.658 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -2.817 -0.305 4.356 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -3.430 -0.244 6.026 1.00 1.24 H new ATOM 850 N LEU A 56 0.622 3.606 5.368 1.00 0.45 N ATOM 851 CA LEU A 56 1.965 3.860 5.879 1.00 0.52 C ATOM 852 C LEU A 56 2.282 5.355 5.963 1.00 0.53 C ATOM 853 O LEU A 56 2.778 5.828 6.985 1.00 0.65 O ATOM 854 CB LEU A 56 3.008 3.153 5.013 1.00 0.57 C ATOM 855 CG LEU A 56 2.981 1.625 5.073 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.019 1.034 4.130 1.00 1.04 C ATOM 857 CD2 LEU A 56 3.223 1.145 6.497 1.00 1.63 C ATOM 0 H LEU A 56 0.597 3.090 4.489 1.00 0.45 H new ATOM 0 HA LEU A 56 2.002 3.460 6.892 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.866 3.462 3.977 1.00 0.57 H new ATOM 0 HB3 LEU A 56 3.998 3.494 5.315 1.00 0.57 H new ATOM 0 HG LEU A 56 1.995 1.286 4.755 1.00 0.75 H new ATOM 0 HD11 LEU A 56 3.985 -0.054 4.187 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.806 1.351 3.109 1.00 1.04 H new ATOM 0 HD13 LEU A 56 5.011 1.381 4.418 1.00 1.04 H new ATOM 0 HD21 LEU A 56 3.201 0.056 6.522 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.197 1.496 6.839 1.00 1.63 H new ATOM 0 HD23 LEU A 56 2.445 1.539 7.151 1.00 1.63 H new ATOM 869 N LEU A 57 1.985 6.100 4.905 1.00 0.51 N ATOM 870 CA LEU A 57 2.368 7.509 4.841 1.00 0.63 C ATOM 871 C LEU A 57 1.212 8.441 5.205 1.00 0.72 C ATOM 872 O LEU A 57 1.260 9.633 4.898 1.00 1.16 O ATOM 873 CB LEU A 57 2.903 7.875 3.445 1.00 0.80 C ATOM 874 CG LEU A 57 4.286 7.317 3.082 1.00 1.29 C ATOM 875 CD1 LEU A 57 4.216 5.832 2.754 1.00 1.68 C ATOM 876 CD2 LEU A 57 4.879 8.094 1.916 1.00 2.17 C ATOM 0 H LEU A 57 1.484 5.758 4.085 1.00 0.51 H new ATOM 0 HA LEU A 57 3.159 7.647 5.578 1.00 0.63 H new ATOM 0 HB2 LEU A 57 2.187 7.526 2.701 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.940 8.962 3.366 1.00 0.80 H new ATOM 0 HG LEU A 57 4.935 7.435 3.950 1.00 1.29 H new ATOM 0 HD11 LEU A 57 5.212 5.468 2.501 1.00 1.68 H new ATOM 0 HD12 LEU A 57 3.839 5.286 3.618 1.00 1.68 H new ATOM 0 HD13 LEU A 57 3.547 5.678 1.907 1.00 1.68 H new ATOM 0 HD21 LEU A 57 5.860 7.688 1.669 1.00 2.17 H new ATOM 0 HD22 LEU A 57 4.222 8.008 1.050 1.00 2.17 H new ATOM 0 HD23 LEU A 57 4.980 9.144 2.192 1.00 2.17 H new ATOM 888 N GLN A 58 0.186 7.900 5.861 1.00 0.61 N ATOM 889 CA GLN A 58 -0.982 8.686 6.262 1.00 0.79 C ATOM 890 C GLN A 58 -0.585 9.940 7.042 1.00 1.05 C ATOM 891 O GLN A 58 -0.891 11.061 6.636 1.00 2.03 O ATOM 892 CB GLN A 58 -1.939 7.839 7.106 1.00 0.90 C ATOM 893 CG GLN A 58 -3.183 8.589 7.548 1.00 1.29 C ATOM 894 CD GLN A 58 -4.143 7.711 8.322 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.049 7.597 9.547 1.00 2.30 O ATOM 896 NE2 GLN A 58 -5.078 7.095 7.621 1.00 1.85 N ATOM 0 H GLN A 58 0.140 6.916 6.127 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.485 9.000 5.347 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.238 6.962 6.532 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.410 7.477 7.988 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.891 9.437 8.167 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.690 8.993 6.672 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -5.120 7.217 6.609 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -5.758 6.498 8.092 1.00 1.85 H new ATOM 905 N GLY A 59 0.095 9.745 8.163 1.00 0.97 N ATOM 906 CA GLY A 59 0.430 10.865 9.023 1.00 1.28 C ATOM 907 C GLY A 59 1.922 11.040 9.203 1.00 1.13 C ATOM 908 O GLY A 59 2.377 11.444 10.271 1.00 1.42 O ATOM 0 H GLY A 59 0.420 8.836 8.492 1.00 0.97 H new ATOM 0 HA2 GLY A 59 0.010 11.779 8.602 1.00 1.28 H new ATOM 0 HA3 GLY A 59 -0.035 10.720 9.998 1.00 1.28 H new ATOM 912 N THR A 60 2.687 10.736 8.168 1.00 0.95 N ATOM 913 CA THR A 60 4.132 10.889 8.231 1.00 0.99 C ATOM 914 C THR A 60 4.573 12.279 7.781 1.00 1.06 C ATOM 915 O THR A 60 5.754 12.619 7.864 1.00 1.25 O ATOM 916 CB THR A 60 4.839 9.834 7.366 1.00 1.04 C ATOM 917 OG1 THR A 60 4.267 9.823 6.053 1.00 0.99 O ATOM 918 CG2 THR A 60 4.722 8.452 7.987 1.00 1.21 C ATOM 0 H THR A 60 2.335 10.384 7.278 1.00 0.95 H new ATOM 0 HA THR A 60 4.415 10.751 9.275 1.00 0.99 H new ATOM 0 HB THR A 60 5.896 10.094 7.304 1.00 1.04 H new ATOM 0 HG1 THR A 60 4.721 9.150 5.504 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.231 7.725 7.354 1.00 1.21 H new ATOM 0 HG22 THR A 60 5.181 8.457 8.976 1.00 1.21 H new ATOM 0 HG23 THR A 60 3.670 8.181 8.077 1.00 1.21 H new ATOM 926 N GLY A 61 3.623 13.086 7.319 1.00 1.08 N ATOM 927 CA GLY A 61 3.947 14.419 6.845 1.00 1.32 C ATOM 928 C GLY A 61 4.564 14.404 5.461 1.00 1.26 C ATOM 929 O GLY A 61 4.996 15.442 4.949 1.00 1.35 O ATOM 0 H GLY A 61 2.634 12.840 7.264 1.00 1.08 H new ATOM 0 HA2 GLY A 61 3.042 15.027 6.830 1.00 1.32 H new ATOM 0 HA3 GLY A 61 4.638 14.892 7.543 1.00 1.32 H new ATOM 933 N LEU A 62 4.604 13.232 4.843 1.00 1.16 N ATOM 934 CA LEU A 62 5.184 13.087 3.520 1.00 1.11 C ATOM 935 C LEU A 62 4.081 13.003 2.478 1.00 1.07 C ATOM 936 O LEU A 62 2.915 12.804 2.814 1.00 1.14 O ATOM 937 CB LEU A 62 6.051 11.825 3.453 1.00 1.10 C ATOM 938 CG LEU A 62 7.165 11.732 4.498 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.898 10.406 4.372 1.00 1.23 C ATOM 940 CD2 LEU A 62 8.140 12.893 4.355 1.00 1.28 C ATOM 0 H LEU A 62 4.240 12.366 5.240 1.00 1.16 H new ATOM 0 HA LEU A 62 5.809 13.957 3.317 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.403 10.955 3.560 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.501 11.767 2.462 1.00 1.10 H new ATOM 0 HG LEU A 62 6.711 11.788 5.487 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.688 10.354 5.122 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.196 9.586 4.527 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.336 10.326 3.377 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.923 12.806 5.108 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.588 12.872 3.362 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.608 13.834 4.493 1.00 1.28 H new ATOM 952 N ARG A 63 4.451 13.159 1.222 1.00 1.01 N ATOM 953 CA ARG A 63 3.508 13.039 0.128 1.00 1.03 C ATOM 954 C ARG A 63 3.788 11.779 -0.672 1.00 0.92 C ATOM 955 O ARG A 63 4.910 11.561 -1.131 1.00 0.87 O ATOM 956 CB ARG A 63 3.608 14.242 -0.812 1.00 1.15 C ATOM 957 CG ARG A 63 3.075 15.545 -0.242 1.00 1.51 C ATOM 958 CD ARG A 63 3.331 16.688 -1.210 1.00 1.78 C ATOM 959 NE ARG A 63 2.543 17.878 -0.901 1.00 2.51 N ATOM 960 CZ ARG A 63 2.787 19.076 -1.426 1.00 3.28 C ATOM 961 NH1 ARG A 63 3.885 19.278 -2.142 1.00 3.53 N ATOM 962 NH2 ARG A 63 1.951 20.086 -1.205 1.00 4.21 N ATOM 0 H ARG A 63 5.406 13.371 0.933 1.00 1.01 H new ATOM 0 HA ARG A 63 2.507 12.995 0.557 1.00 1.03 H new ATOM 0 HB2 ARG A 63 4.653 14.383 -1.088 1.00 1.15 H new ATOM 0 HB3 ARG A 63 3.065 14.014 -1.729 1.00 1.15 H new ATOM 0 HG2 ARG A 63 2.006 15.455 -0.049 1.00 1.51 H new ATOM 0 HG3 ARG A 63 3.555 15.755 0.714 1.00 1.51 H new ATOM 0 HD2 ARG A 63 4.390 16.944 -1.191 1.00 1.78 H new ATOM 0 HD3 ARG A 63 3.101 16.358 -2.223 1.00 1.78 H new ATOM 0 HE ARG A 63 1.765 17.786 -0.248 1.00 2.51 H new ATOM 0 HH11 ARG A 63 4.544 18.514 -2.291 1.00 3.53 H new ATOM 0 HH12 ARG A 63 4.070 20.197 -2.544 1.00 3.53 H new ATOM 0 HH21 ARG A 63 1.120 19.944 -0.631 1.00 4.21 H new ATOM 0 HH22 ARG A 63 2.141 21.003 -1.609 1.00 4.21 H new ATOM 976 N TYR A 64 2.767 10.954 -0.831 1.00 0.96 N ATOM 977 CA TYR A 64 2.851 9.827 -1.737 1.00 0.91 C ATOM 978 C TYR A 64 2.153 10.183 -3.044 1.00 0.89 C ATOM 979 O TYR A 64 0.950 10.447 -3.080 1.00 0.94 O ATOM 980 CB TYR A 64 2.251 8.556 -1.103 1.00 0.92 C ATOM 981 CG TYR A 64 0.910 8.760 -0.425 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.833 9.231 0.880 1.00 1.02 C ATOM 983 CD2 TYR A 64 -0.279 8.477 -1.089 1.00 1.06 C ATOM 984 CE1 TYR A 64 -0.384 9.418 1.502 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.501 8.662 -0.471 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.548 9.135 0.824 1.00 1.20 C ATOM 987 OH TYR A 64 -2.760 9.326 1.446 1.00 1.37 O ATOM 0 H TYR A 64 1.875 11.045 -0.345 1.00 0.96 H new ATOM 0 HA TYR A 64 3.899 9.610 -1.944 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.140 7.797 -1.878 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.957 8.163 -0.371 1.00 0.92 H new ATOM 0 HD1 TYR A 64 1.743 9.455 1.417 1.00 1.02 H new ATOM 0 HD2 TYR A 64 -0.247 8.107 -2.103 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -0.423 9.785 2.517 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -2.416 8.437 -1.000 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.484 9.081 0.833 1.00 1.37 H new ATOM 997 N GLN A 65 2.927 10.221 -4.109 1.00 0.90 N ATOM 998 CA GLN A 65 2.410 10.596 -5.413 1.00 0.93 C ATOM 999 C GLN A 65 2.452 9.414 -6.363 1.00 0.87 C ATOM 1000 O GLN A 65 3.522 8.957 -6.754 1.00 0.86 O ATOM 1001 CB GLN A 65 3.221 11.766 -5.973 1.00 1.03 C ATOM 1002 CG GLN A 65 2.768 12.236 -7.344 1.00 1.59 C ATOM 1003 CD GLN A 65 3.628 13.364 -7.876 1.00 2.07 C ATOM 1004 OE1 GLN A 65 3.344 14.540 -7.643 1.00 2.64 O ATOM 1005 NE2 GLN A 65 4.695 13.017 -8.581 1.00 2.63 N ATOM 0 H GLN A 65 3.922 9.996 -4.099 1.00 0.90 H new ATOM 0 HA GLN A 65 1.371 10.906 -5.306 1.00 0.93 H new ATOM 0 HB2 GLN A 65 3.161 12.602 -5.276 1.00 1.03 H new ATOM 0 HB3 GLN A 65 4.269 11.473 -6.030 1.00 1.03 H new ATOM 0 HG2 GLN A 65 2.798 11.399 -8.041 1.00 1.59 H new ATOM 0 HG3 GLN A 65 1.731 12.567 -7.288 1.00 1.59 H new ATOM 0 HE21 GLN A 65 4.895 12.031 -8.752 1.00 2.63 H new ATOM 0 HE22 GLN A 65 5.316 13.735 -8.953 1.00 2.63 H new ATOM 1014 N ILE A 66 1.286 8.911 -6.720 1.00 0.88 N ATOM 1015 CA ILE A 66 1.203 7.791 -7.637 1.00 0.86 C ATOM 1016 C ILE A 66 0.664 8.248 -8.989 1.00 0.98 C ATOM 1017 O ILE A 66 -0.362 8.932 -9.069 1.00 1.11 O ATOM 1018 CB ILE A 66 0.337 6.639 -7.064 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.257 5.482 -8.068 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.056 7.133 -6.682 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.507 4.278 -7.560 1.00 1.13 C ATOM 0 H ILE A 66 0.386 9.259 -6.390 1.00 0.88 H new ATOM 0 HA ILE A 66 2.212 7.402 -7.774 1.00 0.86 H new ATOM 0 HB ILE A 66 0.814 6.272 -6.155 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.216 5.840 -8.983 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.268 5.173 -8.332 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.640 6.303 -6.284 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -0.971 7.913 -5.925 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.554 7.536 -7.564 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.519 3.504 -8.327 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.023 3.892 -6.663 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.530 4.570 -7.324 1.00 1.13 H new ATOM 1033 N ASP A 67 1.387 7.907 -10.043 1.00 1.04 N ATOM 1034 CA ASP A 67 0.969 8.234 -11.398 1.00 1.25 C ATOM 1035 C ASP A 67 1.351 7.099 -12.331 1.00 1.20 C ATOM 1036 O ASP A 67 2.537 6.806 -12.507 1.00 1.13 O ATOM 1037 CB ASP A 67 1.619 9.539 -11.863 1.00 1.45 C ATOM 1038 CG ASP A 67 1.020 10.061 -13.153 1.00 1.82 C ATOM 1039 OD1 ASP A 67 1.459 9.635 -14.240 1.00 2.28 O ATOM 1040 OD2 ASP A 67 0.099 10.904 -13.085 1.00 2.29 O ATOM 0 H ASP A 67 2.271 7.401 -9.986 1.00 1.04 H new ATOM 0 HA ASP A 67 -0.113 8.368 -11.412 1.00 1.25 H new ATOM 0 HB2 ASP A 67 1.508 10.293 -11.084 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.688 9.379 -12.002 1.00 1.45 H new ATOM 1045 N GLY A 68 0.351 6.461 -12.922 1.00 1.28 N ATOM 1046 CA GLY A 68 0.595 5.291 -13.739 1.00 1.30 C ATOM 1047 C GLY A 68 1.166 4.152 -12.921 1.00 1.14 C ATOM 1048 O GLY A 68 0.467 3.557 -12.100 1.00 1.18 O ATOM 0 H GLY A 68 -0.629 6.735 -12.849 1.00 1.28 H new ATOM 0 HA2 GLY A 68 -0.336 4.973 -14.208 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.286 5.545 -14.543 1.00 1.30 H new ATOM 1052 N ASN A 69 2.439 3.859 -13.137 1.00 1.03 N ATOM 1053 CA ASN A 69 3.140 2.844 -12.358 1.00 0.94 C ATOM 1054 C ASN A 69 4.367 3.458 -11.705 1.00 0.75 C ATOM 1055 O ASN A 69 5.297 2.757 -11.295 1.00 0.69 O ATOM 1056 CB ASN A 69 3.545 1.649 -13.229 1.00 1.06 C ATOM 1057 CG ASN A 69 2.384 0.721 -13.533 1.00 1.67 C ATOM 1058 OD1 ASN A 69 1.233 1.142 -13.616 1.00 2.35 O ATOM 1059 ND2 ASN A 69 2.676 -0.557 -13.705 1.00 2.29 N ATOM 0 H ASN A 69 3.012 4.311 -13.849 1.00 1.03 H new ATOM 0 HA ASN A 69 2.462 2.477 -11.587 1.00 0.94 H new ATOM 0 HB2 ASN A 69 3.967 2.014 -14.165 1.00 1.06 H new ATOM 0 HB3 ASN A 69 4.330 1.087 -12.724 1.00 1.06 H new ATOM 0 HD21 ASN A 69 1.935 -1.226 -13.913 1.00 2.29 H new ATOM 0 HD22 ASN A 69 3.643 -0.874 -13.629 1.00 2.29 H new ATOM 1066 N THR A 70 4.357 4.778 -11.615 1.00 0.74 N ATOM 1067 CA THR A 70 5.449 5.509 -11.003 1.00 0.68 C ATOM 1068 C THR A 70 4.998 6.104 -9.673 1.00 0.63 C ATOM 1069 O THR A 70 3.920 6.697 -9.578 1.00 0.71 O ATOM 1070 CB THR A 70 5.948 6.642 -11.925 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.219 6.126 -13.236 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.209 7.287 -11.365 1.00 0.89 C ATOM 0 H THR A 70 3.599 5.366 -11.961 1.00 0.74 H new ATOM 0 HA THR A 70 6.268 4.809 -10.837 1.00 0.68 H new ATOM 0 HB THR A 70 5.165 7.398 -11.983 1.00 0.85 H new ATOM 0 HG1 THR A 70 6.533 6.852 -13.815 1.00 0.97 H new ATOM 0 HG21 THR A 70 7.539 8.082 -12.034 1.00 0.89 H new ATOM 0 HG22 THR A 70 6.997 7.705 -10.381 1.00 0.89 H new ATOM 0 HG23 THR A 70 7.994 6.536 -11.279 1.00 0.89 H new ATOM 1080 N VAL A 71 5.819 5.925 -8.653 1.00 0.56 N ATOM 1081 CA VAL A 71 5.517 6.424 -7.322 1.00 0.58 C ATOM 1082 C VAL A 71 6.579 7.425 -6.896 1.00 0.57 C ATOM 1083 O VAL A 71 7.769 7.148 -6.994 1.00 0.57 O ATOM 1084 CB VAL A 71 5.462 5.279 -6.289 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.970 5.788 -4.941 1.00 0.68 C ATOM 1086 CG2 VAL A 71 4.588 4.137 -6.788 1.00 0.65 C ATOM 0 H VAL A 71 6.709 5.432 -8.723 1.00 0.56 H new ATOM 0 HA VAL A 71 4.539 6.904 -7.360 1.00 0.58 H new ATOM 0 HB VAL A 71 6.474 4.896 -6.158 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.940 4.963 -4.229 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.647 6.559 -4.574 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.970 6.207 -5.053 1.00 0.68 H new ATOM 0 HG21 VAL A 71 4.566 3.343 -6.042 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.575 4.502 -6.960 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.996 3.747 -7.721 1.00 0.65 H new ATOM 1096 N THR A 72 6.157 8.590 -6.449 1.00 0.63 N ATOM 1097 CA THR A 72 7.079 9.610 -5.983 1.00 0.66 C ATOM 1098 C THR A 72 6.877 9.848 -4.489 1.00 0.70 C ATOM 1099 O THR A 72 5.764 10.134 -4.040 1.00 0.78 O ATOM 1100 CB THR A 72 6.874 10.931 -6.749 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.734 10.663 -8.153 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.047 11.878 -6.525 1.00 0.80 C ATOM 0 H THR A 72 5.174 8.857 -6.398 1.00 0.63 H new ATOM 0 HA THR A 72 8.095 9.259 -6.164 1.00 0.66 H new ATOM 0 HB THR A 72 5.968 11.407 -6.374 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.921 11.479 -8.662 1.00 0.76 H new ATOM 0 HG21 THR A 72 7.878 12.803 -7.076 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.137 12.100 -5.462 1.00 0.80 H new ATOM 0 HG23 THR A 72 8.966 11.409 -6.877 1.00 0.80 H new ATOM 1110 N VAL A 73 7.945 9.701 -3.723 1.00 0.70 N ATOM 1111 CA VAL A 73 7.891 9.888 -2.283 1.00 0.76 C ATOM 1112 C VAL A 73 8.694 11.120 -1.884 1.00 0.90 C ATOM 1113 O VAL A 73 9.927 11.090 -1.841 1.00 1.01 O ATOM 1114 CB VAL A 73 8.429 8.652 -1.528 1.00 0.79 C ATOM 1115 CG1 VAL A 73 8.296 8.837 -0.023 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.702 7.395 -1.982 1.00 0.75 C ATOM 0 H VAL A 73 8.868 9.450 -4.079 1.00 0.70 H new ATOM 0 HA VAL A 73 6.845 10.026 -2.007 1.00 0.76 H new ATOM 0 HB VAL A 73 9.488 8.542 -1.762 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.681 7.954 0.488 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.865 9.713 0.288 1.00 0.89 H new ATOM 0 HG13 VAL A 73 7.246 8.976 0.235 1.00 0.89 H new ATOM 0 HG21 VAL A 73 8.093 6.533 -1.441 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.636 7.498 -1.779 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.856 7.252 -3.052 1.00 0.75 H new ATOM 1126 N THR A 74 7.990 12.204 -1.615 1.00 0.97 N ATOM 1127 CA THR A 74 8.624 13.464 -1.273 1.00 1.15 C ATOM 1128 C THR A 74 7.894 14.122 -0.102 1.00 1.11 C ATOM 1129 O THR A 74 6.697 13.921 0.080 1.00 0.99 O ATOM 1130 CB THR A 74 8.647 14.415 -2.495 1.00 1.38 C ATOM 1131 OG1 THR A 74 9.265 15.664 -2.152 1.00 1.87 O ATOM 1132 CG2 THR A 74 7.243 14.666 -3.025 1.00 1.47 C ATOM 0 H THR A 74 6.971 12.237 -1.627 1.00 0.97 H new ATOM 0 HA THR A 74 9.653 13.262 -0.977 1.00 1.15 H new ATOM 0 HB THR A 74 9.231 13.930 -3.278 1.00 1.38 H new ATOM 0 HG1 THR A 74 9.790 15.555 -1.332 1.00 1.87 H new ATOM 0 HG21 THR A 74 7.292 15.337 -3.882 1.00 1.47 H new ATOM 0 HG22 THR A 74 6.795 13.720 -3.330 1.00 1.47 H new ATOM 0 HG23 THR A 74 6.635 15.121 -2.243 1.00 1.47 H new