USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 622 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 42 GLN : amide:sc= 0.0768 X(o=0.15,f=0) USER MOD Set 1.2: A 44 THR OG1 : rot -138:sc= 0.076 USER MOD Set 2.1: A 29 SER OG : rot -83:sc= 0.295 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.257 K(o=0.55,f=-0.022) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.133 K(o=-0.21,f=-4.3!) USER MOD Set 3.2: A 72 THR OG1 : rot -70:sc= -0.0742 USER MOD Single : A 3 GLN : amide:sc= -0.734 X(o=-0.73,f=-0.39) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 SER OG : rot 119:sc= 0.594 USER MOD Single : A 12 ASN : amide:sc= -0.0418 K(o=-0.042,f=-1.7!) USER MOD Single : A 32 TYR OH : rot 22:sc= 0.559 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00055 USER MOD Single : A 36 THR OG1 : rot 160:sc= -0.137 USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 47 SER OG : rot 130:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.216 K(o=0.22,f=-4.2!) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= 0.442 (180deg=0.0254) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 1.03 (180deg=0.51) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 1.307 7.318 -13.692 1.00 50.31 N ATOM 28 CA GLN A 3 0.730 6.204 -12.917 1.00 73.33 C ATOM 29 C GLN A 3 1.158 6.326 -11.448 1.00 21.33 C ATOM 30 O GLN A 3 2.351 6.265 -11.137 1.00 75.14 O ATOM 31 CB GLN A 3 1.186 4.834 -13.491 1.00 64.32 C ATOM 32 CG GLN A 3 0.622 3.613 -12.720 1.00 73.01 C ATOM 33 CD GLN A 3 1.051 2.254 -13.275 1.00 1.30 C ATOM 34 OE1 GLN A 3 2.140 2.100 -13.830 1.00 63.44 O ATOM 35 NE2 GLN A 3 0.194 1.256 -13.133 1.00 63.25 N ATOM 0 HA GLN A 3 -0.356 6.257 -12.987 1.00 73.33 H new ATOM 0 HB2 GLN A 3 0.878 4.767 -14.534 1.00 64.32 H new ATOM 0 HB3 GLN A 3 2.275 4.789 -13.477 1.00 64.32 H new ATOM 0 HG2 GLN A 3 0.937 3.681 -11.679 1.00 73.01 H new ATOM 0 HG3 GLN A 3 -0.467 3.666 -12.728 1.00 73.01 H new ATOM 0 HE21 GLN A 3 -0.700 1.414 -12.669 1.00 63.25 H new ATOM 0 HE22 GLN A 3 0.428 0.329 -13.488 1.00 63.25 H new ATOM 44 N TRP A 4 0.172 6.468 -10.563 1.00 11.11 N ATOM 45 CA TRP A 4 0.386 6.682 -9.127 1.00 55.32 C ATOM 46 C TRP A 4 0.463 5.331 -8.413 1.00 71.52 C ATOM 47 O TRP A 4 -0.468 4.534 -8.487 1.00 0.55 O ATOM 48 CB TRP A 4 -0.761 7.555 -8.576 1.00 14.20 C ATOM 49 CG TRP A 4 -0.821 8.904 -9.249 1.00 50.52 C ATOM 50 CD1 TRP A 4 0.031 9.942 -9.051 1.00 54.24 C ATOM 51 CD2 TRP A 4 -1.755 9.345 -10.240 1.00 63.14 C ATOM 52 NE1 TRP A 4 -0.288 10.983 -9.876 1.00 53.10 N ATOM 53 CE2 TRP A 4 -1.389 10.652 -10.603 1.00 33.43 C ATOM 54 CE3 TRP A 4 -2.857 8.768 -10.859 1.00 25.23 C ATOM 55 CZ2 TRP A 4 -2.079 11.384 -11.556 1.00 10.33 C ATOM 56 CZ3 TRP A 4 -3.546 9.500 -11.804 1.00 75.53 C ATOM 57 CH2 TRP A 4 -3.154 10.796 -12.143 1.00 1.13 C ATOM 0 H TRP A 4 -0.813 6.438 -10.824 1.00 11.11 H new ATOM 0 HA TRP A 4 1.328 7.202 -8.953 1.00 55.32 H new ATOM 0 HB2 TRP A 4 -1.710 7.037 -8.717 1.00 14.20 H new ATOM 0 HB3 TRP A 4 -0.629 7.691 -7.503 1.00 14.20 H new ATOM 0 HD1 TRP A 4 0.846 9.944 -8.342 1.00 54.24 H new ATOM 0 HE1 TRP A 4 0.218 11.866 -9.937 1.00 53.10 H new ATOM 0 HE3 TRP A 4 -3.168 7.765 -10.605 1.00 25.23 H new ATOM 0 HZ2 TRP A 4 -1.774 12.385 -11.822 1.00 10.33 H new ATOM 0 HZ3 TRP A 4 -4.405 9.062 -12.291 1.00 75.53 H new ATOM 0 HH2 TRP A 4 -3.716 11.342 -12.886 1.00 1.13 H new ATOM 68 N GLN A 5 1.589 5.074 -7.732 1.00 35.42 N ATOM 69 CA GLN A 5 1.892 3.751 -7.165 1.00 71.35 C ATOM 70 C GLN A 5 2.550 3.878 -5.771 1.00 44.53 C ATOM 71 O GLN A 5 3.578 4.536 -5.622 1.00 24.13 O ATOM 72 CB GLN A 5 2.793 2.972 -8.162 1.00 50.41 C ATOM 73 CG GLN A 5 3.210 1.563 -7.714 1.00 14.12 C ATOM 74 CD GLN A 5 4.078 0.855 -8.753 1.00 41.11 C ATOM 75 OE1 GLN A 5 3.583 0.110 -9.599 1.00 54.32 O ATOM 76 NE2 GLN A 5 5.368 1.132 -8.736 1.00 64.33 N ATOM 0 H GLN A 5 2.312 5.773 -7.559 1.00 35.42 H new ATOM 0 HA GLN A 5 0.966 3.195 -7.019 1.00 71.35 H new ATOM 0 HB2 GLN A 5 2.267 2.891 -9.113 1.00 50.41 H new ATOM 0 HB3 GLN A 5 3.694 3.558 -8.345 1.00 50.41 H new ATOM 0 HG2 GLN A 5 3.756 1.631 -6.773 1.00 14.12 H new ATOM 0 HG3 GLN A 5 2.318 0.967 -7.522 1.00 14.12 H new ATOM 0 HE21 GLN A 5 5.747 1.753 -8.021 1.00 64.33 H new ATOM 0 HE22 GLN A 5 5.986 0.725 -9.438 1.00 64.33 H new ATOM 85 N ILE A 6 1.925 3.242 -4.766 1.00 44.33 N ATOM 86 CA ILE A 6 2.378 3.235 -3.361 1.00 65.24 C ATOM 87 C ILE A 6 3.021 1.873 -3.047 1.00 3.02 C ATOM 88 O ILE A 6 2.315 0.867 -2.977 1.00 3.53 O ATOM 89 CB ILE A 6 1.145 3.445 -2.396 1.00 31.41 C ATOM 90 CG1 ILE A 6 0.322 4.694 -2.814 1.00 44.34 C ATOM 91 CG2 ILE A 6 1.584 3.532 -0.911 1.00 0.21 C ATOM 92 CD1 ILE A 6 -1.011 4.827 -2.106 1.00 71.52 C ATOM 0 H ILE A 6 1.070 2.705 -4.909 1.00 44.33 H new ATOM 0 HA ILE A 6 3.098 4.040 -3.214 1.00 65.24 H new ATOM 0 HB ILE A 6 0.503 2.569 -2.489 1.00 31.41 H new ATOM 0 HG12 ILE A 6 0.915 5.588 -2.619 1.00 44.34 H new ATOM 0 HG13 ILE A 6 0.147 4.656 -3.889 1.00 44.34 H new ATOM 0 HG21 ILE A 6 0.707 3.676 -0.280 1.00 0.21 H new ATOM 0 HG22 ILE A 6 2.088 2.608 -0.626 1.00 0.21 H new ATOM 0 HG23 ILE A 6 2.266 4.372 -0.782 1.00 0.21 H new ATOM 0 HD11 ILE A 6 -1.521 5.725 -2.456 1.00 71.52 H new ATOM 0 HD12 ILE A 6 -1.626 3.953 -2.321 1.00 71.52 H new ATOM 0 HD13 ILE A 6 -0.846 4.899 -1.031 1.00 71.52 H new ATOM 104 N LYS A 7 4.349 1.829 -2.871 1.00 54.24 N ATOM 105 CA LYS A 7 5.063 0.575 -2.572 1.00 31.33 C ATOM 106 C LYS A 7 5.582 0.606 -1.136 1.00 4.21 C ATOM 107 O LYS A 7 6.486 1.371 -0.798 1.00 40.21 O ATOM 108 CB LYS A 7 6.192 0.335 -3.591 1.00 33.32 C ATOM 109 CG LYS A 7 5.677 0.166 -5.034 1.00 4.31 C ATOM 110 CD LYS A 7 6.814 -0.093 -6.030 1.00 44.33 C ATOM 111 CE LYS A 7 7.774 1.096 -6.142 1.00 3.14 C ATOM 112 NZ LYS A 7 8.915 0.800 -7.047 1.00 13.11 N ATOM 0 H LYS A 7 4.954 2.648 -2.930 1.00 54.24 H new ATOM 0 HA LYS A 7 4.373 -0.264 -2.661 1.00 31.33 H new ATOM 0 HB2 LYS A 7 6.889 1.172 -3.556 1.00 33.32 H new ATOM 0 HB3 LYS A 7 6.750 -0.556 -3.304 1.00 33.32 H new ATOM 0 HG2 LYS A 7 4.969 -0.662 -5.070 1.00 4.31 H new ATOM 0 HG3 LYS A 7 5.134 1.063 -5.331 1.00 4.31 H new ATOM 0 HD2 LYS A 7 7.370 -0.978 -5.720 1.00 44.33 H new ATOM 0 HD3 LYS A 7 6.392 -0.309 -7.011 1.00 44.33 H new ATOM 0 HE2 LYS A 7 7.233 1.967 -6.512 1.00 3.14 H new ATOM 0 HE3 LYS A 7 8.152 1.353 -5.152 1.00 3.14 H new ATOM 0 HZ1 LYS A 7 9.542 1.628 -7.097 1.00 13.11 H new ATOM 0 HZ2 LYS A 7 9.446 -0.015 -6.680 1.00 13.11 H new ATOM 0 HZ3 LYS A 7 8.556 0.580 -7.998 1.00 13.11 H new ATOM 126 N ILE A 8 4.981 -0.247 -0.313 1.00 51.43 N ATOM 127 CA ILE A 8 5.159 -0.275 1.134 1.00 32.55 C ATOM 128 C ILE A 8 6.184 -1.365 1.480 1.00 50.34 C ATOM 129 O ILE A 8 5.884 -2.541 1.341 1.00 53.25 O ATOM 130 CB ILE A 8 3.767 -0.602 1.801 1.00 44.42 C ATOM 131 CG1 ILE A 8 2.652 0.349 1.240 1.00 32.05 C ATOM 132 CG2 ILE A 8 3.855 -0.535 3.343 1.00 43.34 C ATOM 133 CD1 ILE A 8 1.220 -0.109 1.492 1.00 15.22 C ATOM 0 H ILE A 8 4.335 -0.962 -0.647 1.00 51.43 H new ATOM 0 HA ILE A 8 5.519 0.685 1.502 1.00 32.55 H new ATOM 0 HB ILE A 8 3.494 -1.625 1.542 1.00 44.42 H new ATOM 0 HG12 ILE A 8 2.783 1.337 1.682 1.00 32.05 H new ATOM 0 HG13 ILE A 8 2.797 0.459 0.165 1.00 32.05 H new ATOM 0 HG21 ILE A 8 2.880 -0.765 3.773 1.00 43.34 H new ATOM 0 HG22 ILE A 8 4.588 -1.259 3.697 1.00 43.34 H new ATOM 0 HG23 ILE A 8 4.159 0.467 3.647 1.00 43.34 H new ATOM 0 HD11 ILE A 8 0.526 0.616 1.066 1.00 15.22 H new ATOM 0 HD12 ILE A 8 1.061 -1.081 1.025 1.00 15.22 H new ATOM 0 HD13 ILE A 8 1.047 -0.189 2.565 1.00 15.22 H new ATOM 145 N TYR A 9 7.400 -0.966 1.874 1.00 42.12 N ATOM 146 CA TYR A 9 8.488 -1.903 2.197 1.00 42.34 C ATOM 147 C TYR A 9 8.636 -2.016 3.723 1.00 14.53 C ATOM 148 O TYR A 9 9.131 -1.095 4.372 1.00 72.02 O ATOM 149 CB TYR A 9 9.828 -1.415 1.576 1.00 21.03 C ATOM 150 CG TYR A 9 9.789 -1.183 0.056 1.00 74.10 C ATOM 151 CD1 TYR A 9 9.890 -2.249 -0.841 1.00 72.12 C ATOM 152 CD2 TYR A 9 9.659 0.106 -0.482 1.00 22.44 C ATOM 153 CE1 TYR A 9 9.860 -2.038 -2.211 1.00 43.11 C ATOM 154 CE2 TYR A 9 9.632 0.315 -1.848 1.00 54.35 C ATOM 155 CZ TYR A 9 9.733 -0.759 -2.707 1.00 72.54 C ATOM 156 OH TYR A 9 9.709 -0.548 -4.069 1.00 1.32 O ATOM 0 H TYR A 9 7.659 0.015 1.978 1.00 42.12 H new ATOM 0 HA TYR A 9 8.244 -2.880 1.780 1.00 42.34 H new ATOM 0 HB2 TYR A 9 10.121 -0.485 2.064 1.00 21.03 H new ATOM 0 HB3 TYR A 9 10.603 -2.149 1.797 1.00 21.03 H new ATOM 0 HD1 TYR A 9 9.993 -3.255 -0.461 1.00 72.12 H new ATOM 0 HD2 TYR A 9 9.578 0.952 0.184 1.00 22.44 H new ATOM 0 HE1 TYR A 9 9.936 -2.875 -2.889 1.00 43.11 H new ATOM 0 HE2 TYR A 9 9.532 1.316 -2.241 1.00 54.35 H new ATOM 0 HH TYR A 9 9.322 -1.330 -4.514 1.00 1.32 H new ATOM 166 N SER A 10 8.193 -3.136 4.282 1.00 45.31 N ATOM 167 CA SER A 10 8.452 -3.499 5.686 1.00 33.41 C ATOM 168 C SER A 10 8.844 -4.970 5.722 1.00 32.34 C ATOM 169 O SER A 10 8.674 -5.684 4.737 1.00 63.45 O ATOM 170 CB SER A 10 7.203 -3.252 6.564 1.00 70.23 C ATOM 171 OG SER A 10 7.434 -3.578 7.931 1.00 1.22 O ATOM 0 H SER A 10 7.639 -3.828 3.777 1.00 45.31 H new ATOM 0 HA SER A 10 9.255 -2.880 6.086 1.00 33.41 H new ATOM 0 HB2 SER A 10 6.908 -2.206 6.487 1.00 70.23 H new ATOM 0 HB3 SER A 10 6.372 -3.847 6.186 1.00 70.23 H new ATOM 0 HG SER A 10 7.318 -2.776 8.483 1.00 1.22 H new ATOM 177 N GLU A 11 9.386 -5.416 6.847 1.00 23.31 N ATOM 178 CA GLU A 11 9.675 -6.836 7.073 1.00 72.33 C ATOM 179 C GLU A 11 8.409 -7.496 7.659 1.00 53.43 C ATOM 180 O GLU A 11 8.092 -8.644 7.338 1.00 13.43 O ATOM 181 CB GLU A 11 10.918 -6.959 8.002 1.00 11.12 C ATOM 182 CG GLU A 11 11.537 -8.378 8.133 1.00 1.45 C ATOM 183 CD GLU A 11 10.804 -9.310 9.124 1.00 1.20 C ATOM 184 OE1 GLU A 11 10.842 -9.029 10.343 1.00 13.53 O ATOM 185 OE2 GLU A 11 10.202 -10.321 8.699 1.00 11.13 O ATOM 0 H GLU A 11 9.639 -4.811 7.629 1.00 23.31 H new ATOM 0 HA GLU A 11 9.921 -7.356 6.147 1.00 72.33 H new ATOM 0 HB2 GLU A 11 11.689 -6.281 7.635 1.00 11.12 H new ATOM 0 HB3 GLU A 11 10.638 -6.614 8.997 1.00 11.12 H new ATOM 0 HG2 GLU A 11 11.545 -8.849 7.150 1.00 1.45 H new ATOM 0 HG3 GLU A 11 12.576 -8.279 8.448 1.00 1.45 H new ATOM 192 N ASN A 12 7.666 -6.714 8.468 1.00 45.31 N ATOM 193 CA ASN A 12 6.475 -7.185 9.197 1.00 12.21 C ATOM 194 C ASN A 12 5.282 -7.457 8.255 1.00 2.12 C ATOM 195 O ASN A 12 5.040 -6.704 7.304 1.00 53.25 O ATOM 196 CB ASN A 12 6.085 -6.165 10.303 1.00 65.55 C ATOM 197 CG ASN A 12 7.106 -6.077 11.445 1.00 62.42 C ATOM 198 OD1 ASN A 12 8.311 -6.229 11.240 1.00 64.41 O ATOM 199 ND2 ASN A 12 6.628 -5.852 12.658 1.00 45.21 N ATOM 0 H ASN A 12 7.879 -5.730 8.634 1.00 45.31 H new ATOM 0 HA ASN A 12 6.731 -8.136 9.664 1.00 12.21 H new ATOM 0 HB2 ASN A 12 5.971 -5.179 9.852 1.00 65.55 H new ATOM 0 HB3 ASN A 12 5.115 -6.442 10.715 1.00 65.55 H new ATOM 0 HD21 ASN A 12 7.263 -5.800 13.455 1.00 45.21 H new ATOM 0 HD22 ASN A 12 5.625 -5.730 12.796 1.00 45.21 H new ATOM 206 N GLU A 13 4.541 -8.536 8.554 1.00 40.44 N ATOM 207 CA GLU A 13 3.416 -9.031 7.729 1.00 1.31 C ATOM 208 C GLU A 13 2.046 -8.570 8.285 1.00 32.33 C ATOM 209 O GLU A 13 1.114 -8.345 7.510 1.00 61.31 O ATOM 210 CB GLU A 13 3.499 -10.597 7.579 1.00 61.12 C ATOM 211 CG GLU A 13 4.051 -11.393 8.799 1.00 2.32 C ATOM 212 CD GLU A 13 3.269 -11.179 10.111 1.00 44.42 C ATOM 213 OE1 GLU A 13 2.167 -11.742 10.249 1.00 4.14 O ATOM 214 OE2 GLU A 13 3.742 -10.421 10.994 1.00 51.45 O ATOM 0 H GLU A 13 4.705 -9.101 9.387 1.00 40.44 H new ATOM 0 HA GLU A 13 3.503 -8.593 6.735 1.00 1.31 H new ATOM 0 HB2 GLU A 13 2.500 -10.970 7.355 1.00 61.12 H new ATOM 0 HB3 GLU A 13 4.125 -10.823 6.715 1.00 61.12 H new ATOM 0 HG2 GLU A 13 4.044 -12.456 8.556 1.00 2.32 H new ATOM 0 HG3 GLU A 13 5.091 -11.110 8.961 1.00 2.32 H new ATOM 221 N ARG A 14 1.945 -8.414 9.628 1.00 61.32 N ATOM 222 CA ARG A 14 0.690 -8.017 10.316 1.00 35.03 C ATOM 223 C ARG A 14 0.234 -6.620 9.869 1.00 21.13 C ATOM 224 O ARG A 14 -0.976 -6.378 9.738 1.00 11.23 O ATOM 225 CB ARG A 14 0.867 -8.123 11.875 1.00 13.35 C ATOM 226 CG ARG A 14 -0.201 -7.379 12.749 1.00 52.24 C ATOM 227 CD ARG A 14 0.219 -5.930 13.118 1.00 73.01 C ATOM 228 NE ARG A 14 -0.917 -5.040 13.417 1.00 23.10 N ATOM 229 CZ ARG A 14 -0.791 -3.729 13.695 1.00 60.31 C ATOM 230 NH1 ARG A 14 0.411 -3.153 13.728 1.00 2.32 N ATOM 231 NH2 ARG A 14 -1.866 -2.991 13.907 1.00 3.44 N ATOM 0 H ARG A 14 2.729 -8.559 10.264 1.00 61.32 H new ATOM 0 HA ARG A 14 -0.104 -8.708 10.031 1.00 35.03 H new ATOM 0 HB2 ARG A 14 0.858 -9.178 12.149 1.00 13.35 H new ATOM 0 HB3 ARG A 14 1.852 -7.734 12.134 1.00 13.35 H new ATOM 0 HG2 ARG A 14 -1.148 -7.351 12.210 1.00 52.24 H new ATOM 0 HG3 ARG A 14 -0.372 -7.946 13.664 1.00 52.24 H new ATOM 0 HD2 ARG A 14 0.881 -5.963 13.984 1.00 73.01 H new ATOM 0 HD3 ARG A 14 0.793 -5.507 12.294 1.00 73.01 H new ATOM 0 HE ARG A 14 -1.855 -5.441 13.413 1.00 23.10 H new ATOM 0 HH11 ARG A 14 1.247 -3.707 13.541 1.00 2.32 H new ATOM 0 HH12 ARG A 14 0.494 -2.159 13.940 1.00 2.32 H new ATOM 0 HH21 ARG A 14 -2.793 -3.415 13.860 1.00 3.44 H new ATOM 0 HH22 ARG A 14 -1.769 -1.998 14.118 1.00 3.44 H new ATOM 245 N GLU A 15 1.217 -5.726 9.630 1.00 41.34 N ATOM 246 CA GLU A 15 0.971 -4.376 9.093 1.00 63.12 C ATOM 247 C GLU A 15 0.162 -4.474 7.785 1.00 61.12 C ATOM 248 O GLU A 15 -0.853 -3.807 7.599 1.00 62.03 O ATOM 249 CB GLU A 15 2.319 -3.652 8.797 1.00 35.40 C ATOM 250 CG GLU A 15 3.356 -3.668 9.935 1.00 4.44 C ATOM 251 CD GLU A 15 2.827 -3.124 11.272 1.00 15.21 C ATOM 252 OE1 GLU A 15 2.473 -1.930 11.345 1.00 62.10 O ATOM 253 OE2 GLU A 15 2.769 -3.889 12.257 1.00 54.41 O ATOM 0 H GLU A 15 2.203 -5.923 9.805 1.00 41.34 H new ATOM 0 HA GLU A 15 0.412 -3.808 9.837 1.00 63.12 H new ATOM 0 HB2 GLU A 15 2.769 -4.109 7.916 1.00 35.40 H new ATOM 0 HB3 GLU A 15 2.103 -2.614 8.543 1.00 35.40 H new ATOM 0 HG2 GLU A 15 3.702 -4.691 10.082 1.00 4.44 H new ATOM 0 HG3 GLU A 15 4.222 -3.079 9.632 1.00 4.44 H new ATOM 260 N PHE A 16 0.633 -5.394 6.930 1.00 21.23 N ATOM 261 CA PHE A 16 0.124 -5.607 5.576 1.00 34.25 C ATOM 262 C PHE A 16 -1.237 -6.286 5.595 1.00 63.10 C ATOM 263 O PHE A 16 -2.055 -6.011 4.725 1.00 1.41 O ATOM 264 CB PHE A 16 1.149 -6.447 4.757 1.00 61.51 C ATOM 265 CG PHE A 16 2.400 -5.663 4.369 1.00 24.24 C ATOM 266 CD1 PHE A 16 3.085 -4.891 5.308 1.00 34.43 C ATOM 267 CD2 PHE A 16 2.861 -5.657 3.065 1.00 23.11 C ATOM 268 CE1 PHE A 16 4.180 -4.149 4.956 1.00 53.43 C ATOM 269 CE2 PHE A 16 3.954 -4.908 2.714 1.00 1.04 C ATOM 270 CZ PHE A 16 4.615 -4.153 3.660 1.00 33.31 C ATOM 0 H PHE A 16 1.398 -6.024 7.172 1.00 21.23 H new ATOM 0 HA PHE A 16 -0.005 -4.636 5.099 1.00 34.25 H new ATOM 0 HB2 PHE A 16 1.442 -7.319 5.341 1.00 61.51 H new ATOM 0 HB3 PHE A 16 0.665 -6.816 3.853 1.00 61.51 H new ATOM 0 HD1 PHE A 16 2.744 -4.879 6.333 1.00 34.43 H new ATOM 0 HD2 PHE A 16 2.355 -6.248 2.316 1.00 23.11 H new ATOM 0 HE1 PHE A 16 4.699 -3.562 5.700 1.00 53.43 H new ATOM 0 HE2 PHE A 16 4.300 -4.909 1.691 1.00 1.04 H new ATOM 0 HZ PHE A 16 5.476 -3.565 3.377 1.00 33.31 H new ATOM 280 N ARG A 17 -1.475 -7.153 6.608 1.00 60.41 N ATOM 281 CA ARG A 17 -2.744 -7.893 6.745 1.00 74.34 C ATOM 282 C ARG A 17 -3.932 -6.925 6.803 1.00 43.32 C ATOM 283 O ARG A 17 -4.888 -7.078 6.054 1.00 71.54 O ATOM 284 CB ARG A 17 -2.763 -8.794 8.004 1.00 61.21 C ATOM 285 CG ARG A 17 -1.702 -9.909 8.019 1.00 3.04 C ATOM 286 CD ARG A 17 -1.904 -10.887 9.190 1.00 21.32 C ATOM 287 NE ARG A 17 -0.761 -11.806 9.352 1.00 4.15 N ATOM 288 CZ ARG A 17 -0.783 -13.137 9.176 1.00 11.25 C ATOM 289 NH1 ARG A 17 -1.894 -13.774 8.813 1.00 34.23 N ATOM 290 NH2 ARG A 17 0.321 -13.835 9.392 1.00 10.44 N ATOM 0 H ARG A 17 -0.798 -7.355 7.344 1.00 60.41 H new ATOM 0 HA ARG A 17 -2.829 -8.532 5.866 1.00 74.34 H new ATOM 0 HB2 ARG A 17 -2.622 -8.167 8.884 1.00 61.21 H new ATOM 0 HB3 ARG A 17 -3.749 -9.250 8.092 1.00 61.21 H new ATOM 0 HG2 ARG A 17 -1.741 -10.458 7.078 1.00 3.04 H new ATOM 0 HG3 ARG A 17 -0.710 -9.463 8.087 1.00 3.04 H new ATOM 0 HD2 ARG A 17 -2.048 -10.323 10.112 1.00 21.32 H new ATOM 0 HD3 ARG A 17 -2.813 -11.466 9.025 1.00 21.32 H new ATOM 0 HE ARG A 17 0.130 -11.391 9.623 1.00 4.15 H new ATOM 0 HH11 ARG A 17 -2.756 -13.250 8.662 1.00 34.23 H new ATOM 0 HH12 ARG A 17 -1.883 -14.786 8.686 1.00 34.23 H new ATOM 0 HH21 ARG A 17 1.174 -13.361 9.688 1.00 10.44 H new ATOM 0 HH22 ARG A 17 0.318 -14.847 9.262 1.00 10.44 H new ATOM 304 N GLU A 18 -3.812 -5.902 7.672 1.00 63.15 N ATOM 305 CA GLU A 18 -4.861 -4.891 7.872 1.00 64.22 C ATOM 306 C GLU A 18 -5.065 -4.038 6.610 1.00 21.23 C ATOM 307 O GLU A 18 -6.184 -3.603 6.334 1.00 35.12 O ATOM 308 CB GLU A 18 -4.540 -4.011 9.104 1.00 60.23 C ATOM 309 CG GLU A 18 -4.538 -4.791 10.447 1.00 74.24 C ATOM 310 CD GLU A 18 -4.469 -3.897 11.704 1.00 45.45 C ATOM 311 OE1 GLU A 18 -4.824 -2.697 11.626 1.00 74.03 O ATOM 312 OE2 GLU A 18 -4.101 -4.404 12.791 1.00 5.42 O ATOM 0 H GLU A 18 -2.986 -5.756 8.252 1.00 63.15 H new ATOM 0 HA GLU A 18 -5.800 -5.411 8.064 1.00 64.22 H new ATOM 0 HB2 GLU A 18 -3.564 -3.546 8.963 1.00 60.23 H new ATOM 0 HB3 GLU A 18 -5.271 -3.205 9.164 1.00 60.23 H new ATOM 0 HG2 GLU A 18 -5.439 -5.402 10.500 1.00 74.24 H new ATOM 0 HG3 GLU A 18 -3.689 -5.474 10.455 1.00 74.24 H new ATOM 319 N LEU A 19 -3.980 -3.828 5.837 1.00 13.31 N ATOM 320 CA LEU A 19 -4.049 -3.145 4.530 1.00 70.44 C ATOM 321 C LEU A 19 -4.770 -4.024 3.482 1.00 14.14 C ATOM 322 O LEU A 19 -5.553 -3.503 2.699 1.00 64.14 O ATOM 323 CB LEU A 19 -2.634 -2.701 4.034 1.00 74.01 C ATOM 324 CG LEU A 19 -2.132 -1.290 4.520 1.00 63.12 C ATOM 325 CD1 LEU A 19 -3.038 -0.141 3.994 1.00 31.22 C ATOM 326 CD2 LEU A 19 -1.980 -1.217 6.061 1.00 52.33 C ATOM 0 H LEU A 19 -3.040 -4.124 6.098 1.00 13.31 H new ATOM 0 HA LEU A 19 -4.638 -2.238 4.663 1.00 70.44 H new ATOM 0 HB2 LEU A 19 -1.909 -3.450 4.354 1.00 74.01 H new ATOM 0 HB3 LEU A 19 -2.637 -2.706 2.944 1.00 74.01 H new ATOM 0 HG LEU A 19 -1.139 -1.154 4.091 1.00 63.12 H new ATOM 0 HD11 LEU A 19 -2.657 0.816 4.352 1.00 31.22 H new ATOM 0 HD12 LEU A 19 -3.037 -0.147 2.904 1.00 31.22 H new ATOM 0 HD13 LEU A 19 -4.056 -0.285 4.357 1.00 31.22 H new ATOM 0 HD21 LEU A 19 -1.632 -0.224 6.346 1.00 52.33 H new ATOM 0 HD22 LEU A 19 -2.944 -1.412 6.531 1.00 52.33 H new ATOM 0 HD23 LEU A 19 -1.258 -1.964 6.391 1.00 52.33 H new ATOM 338 N ILE A 20 -4.530 -5.361 3.497 1.00 40.13 N ATOM 339 CA ILE A 20 -5.194 -6.306 2.559 1.00 10.13 C ATOM 340 C ILE A 20 -6.714 -6.298 2.829 1.00 21.44 C ATOM 341 O ILE A 20 -7.518 -6.125 1.911 1.00 52.34 O ATOM 342 CB ILE A 20 -4.660 -7.790 2.697 1.00 55.04 C ATOM 343 CG1 ILE A 20 -3.116 -7.894 2.478 1.00 31.04 C ATOM 344 CG2 ILE A 20 -5.409 -8.767 1.746 1.00 54.53 C ATOM 345 CD1 ILE A 20 -2.619 -7.447 1.122 1.00 52.34 C ATOM 0 H ILE A 20 -3.883 -5.809 4.146 1.00 40.13 H new ATOM 0 HA ILE A 20 -4.966 -5.969 1.548 1.00 10.13 H new ATOM 0 HB ILE A 20 -4.867 -8.088 3.725 1.00 55.04 H new ATOM 0 HG12 ILE A 20 -2.617 -7.298 3.243 1.00 31.04 H new ATOM 0 HG13 ILE A 20 -2.814 -8.930 2.633 1.00 31.04 H new ATOM 0 HG21 ILE A 20 -5.012 -9.774 1.873 1.00 54.53 H new ATOM 0 HG22 ILE A 20 -6.472 -8.764 1.985 1.00 54.53 H new ATOM 0 HG23 ILE A 20 -5.268 -8.449 0.713 1.00 54.53 H new ATOM 0 HD11 ILE A 20 -1.536 -7.560 1.076 1.00 52.34 H new ATOM 0 HD12 ILE A 20 -3.081 -8.057 0.346 1.00 52.34 H new ATOM 0 HD13 ILE A 20 -2.881 -6.401 0.965 1.00 52.34 H new ATOM 357 N GLU A 21 -7.060 -6.445 4.131 1.00 3.11 N ATOM 358 CA GLU A 21 -8.445 -6.449 4.636 1.00 71.03 C ATOM 359 C GLU A 21 -9.165 -5.142 4.260 1.00 41.52 C ATOM 360 O GLU A 21 -10.330 -5.168 3.864 1.00 73.31 O ATOM 361 CB GLU A 21 -8.447 -6.638 6.179 1.00 52.54 C ATOM 362 CG GLU A 21 -7.837 -7.968 6.683 1.00 2.41 C ATOM 363 CD GLU A 21 -7.796 -8.067 8.218 1.00 74.21 C ATOM 364 OE1 GLU A 21 -6.824 -7.571 8.831 1.00 54.53 O ATOM 365 OE2 GLU A 21 -8.737 -8.632 8.821 1.00 5.33 O ATOM 0 H GLU A 21 -6.367 -6.566 4.870 1.00 3.11 H new ATOM 0 HA GLU A 21 -8.980 -7.279 4.175 1.00 71.03 H new ATOM 0 HB2 GLU A 21 -7.898 -5.812 6.630 1.00 52.54 H new ATOM 0 HB3 GLU A 21 -9.475 -6.571 6.535 1.00 52.54 H new ATOM 0 HG2 GLU A 21 -8.417 -8.801 6.286 1.00 2.41 H new ATOM 0 HG3 GLU A 21 -6.825 -8.069 6.291 1.00 2.41 H new ATOM 372 N ARG A 22 -8.440 -4.005 4.386 1.00 72.51 N ATOM 373 CA ARG A 22 -8.944 -2.673 3.995 1.00 71.00 C ATOM 374 C ARG A 22 -9.294 -2.641 2.495 1.00 50.22 C ATOM 375 O ARG A 22 -10.459 -2.454 2.138 1.00 0.05 O ATOM 376 CB ARG A 22 -7.901 -1.547 4.342 1.00 74.15 C ATOM 377 CG ARG A 22 -8.018 -0.949 5.767 1.00 20.11 C ATOM 378 CD ARG A 22 -9.368 -0.237 5.978 1.00 44.21 C ATOM 379 NE ARG A 22 -9.459 0.463 7.276 1.00 74.14 N ATOM 380 CZ ARG A 22 -9.784 1.758 7.432 1.00 14.11 C ATOM 381 NH1 ARG A 22 -10.043 2.530 6.381 1.00 53.22 N ATOM 382 NH2 ARG A 22 -9.887 2.268 8.648 1.00 61.22 N ATOM 0 H ARG A 22 -7.492 -3.989 4.761 1.00 72.51 H new ATOM 0 HA ARG A 22 -9.852 -2.479 4.566 1.00 71.00 H new ATOM 0 HB2 ARG A 22 -6.898 -1.954 4.219 1.00 74.15 H new ATOM 0 HB3 ARG A 22 -8.009 -0.740 3.618 1.00 74.15 H new ATOM 0 HG2 ARG A 22 -7.906 -1.743 6.505 1.00 20.11 H new ATOM 0 HG3 ARG A 22 -7.204 -0.243 5.933 1.00 20.11 H new ATOM 0 HD2 ARG A 22 -9.522 0.482 5.173 1.00 44.21 H new ATOM 0 HD3 ARG A 22 -10.172 -0.969 5.910 1.00 44.21 H new ATOM 0 HE ARG A 22 -9.260 -0.078 8.118 1.00 74.14 H new ATOM 0 HH11 ARG A 22 -9.997 2.141 5.439 1.00 53.22 H new ATOM 0 HH12 ARG A 22 -10.288 3.511 6.517 1.00 53.22 H new ATOM 0 HH21 ARG A 22 -9.720 1.679 9.464 1.00 61.22 H new ATOM 0 HH22 ARG A 22 -10.133 3.250 8.770 1.00 61.22 H new ATOM 396 N LEU A 23 -8.278 -2.912 1.642 1.00 30.54 N ATOM 397 CA LEU A 23 -8.367 -2.733 0.170 1.00 5.54 C ATOM 398 C LEU A 23 -9.370 -3.714 -0.479 1.00 74.54 C ATOM 399 O LEU A 23 -9.878 -3.450 -1.578 1.00 62.42 O ATOM 400 CB LEU A 23 -6.958 -2.879 -0.476 1.00 32.44 C ATOM 401 CG LEU A 23 -5.839 -1.933 0.078 1.00 14.35 C ATOM 402 CD1 LEU A 23 -4.480 -2.206 -0.604 1.00 23.43 C ATOM 403 CD2 LEU A 23 -6.241 -0.442 -0.016 1.00 24.13 C ATOM 0 H LEU A 23 -7.372 -3.261 1.954 1.00 30.54 H new ATOM 0 HA LEU A 23 -8.742 -1.726 -0.015 1.00 5.54 H new ATOM 0 HB2 LEU A 23 -6.628 -3.910 -0.348 1.00 32.44 H new ATOM 0 HB3 LEU A 23 -7.053 -2.705 -1.548 1.00 32.44 H new ATOM 0 HG LEU A 23 -5.722 -2.160 1.138 1.00 14.35 H new ATOM 0 HD11 LEU A 23 -3.726 -1.532 -0.196 1.00 23.43 H new ATOM 0 HD12 LEU A 23 -4.182 -3.238 -0.420 1.00 23.43 H new ATOM 0 HD13 LEU A 23 -4.572 -2.040 -1.677 1.00 23.43 H new ATOM 0 HD21 LEU A 23 -5.436 0.178 0.379 1.00 24.13 H new ATOM 0 HD22 LEU A 23 -6.423 -0.179 -1.058 1.00 24.13 H new ATOM 0 HD23 LEU A 23 -7.148 -0.272 0.565 1.00 24.13 H new ATOM 415 N GLU A 24 -9.643 -4.838 0.217 1.00 55.53 N ATOM 416 CA GLU A 24 -10.670 -5.816 -0.187 1.00 24.41 C ATOM 417 C GLU A 24 -12.088 -5.300 0.110 1.00 61.21 C ATOM 418 O GLU A 24 -13.020 -5.570 -0.651 1.00 61.01 O ATOM 419 CB GLU A 24 -10.430 -7.188 0.503 1.00 51.40 C ATOM 420 CG GLU A 24 -9.255 -7.993 -0.082 1.00 2.22 C ATOM 421 CD GLU A 24 -9.430 -8.298 -1.584 1.00 71.00 C ATOM 422 OE1 GLU A 24 -10.184 -9.237 -1.926 1.00 11.32 O ATOM 423 OE2 GLU A 24 -8.831 -7.602 -2.433 1.00 21.22 O ATOM 0 H GLU A 24 -9.155 -5.091 1.076 1.00 55.53 H new ATOM 0 HA GLU A 24 -10.586 -5.953 -1.265 1.00 24.41 H new ATOM 0 HB2 GLU A 24 -10.248 -7.021 1.565 1.00 51.40 H new ATOM 0 HB3 GLU A 24 -11.339 -7.785 0.425 1.00 51.40 H new ATOM 0 HG2 GLU A 24 -8.330 -7.436 0.066 1.00 2.22 H new ATOM 0 HG3 GLU A 24 -9.154 -8.930 0.465 1.00 2.22 H new ATOM 430 N GLU A 25 -12.254 -4.573 1.225 1.00 2.20 N ATOM 431 CA GLU A 25 -13.546 -3.949 1.575 1.00 54.31 C ATOM 432 C GLU A 25 -13.773 -2.658 0.760 1.00 40.42 C ATOM 433 O GLU A 25 -14.926 -2.258 0.542 1.00 41.41 O ATOM 434 CB GLU A 25 -13.616 -3.637 3.094 1.00 33.02 C ATOM 435 CG GLU A 25 -13.454 -4.859 4.027 1.00 11.43 C ATOM 436 CD GLU A 25 -14.572 -5.909 3.900 1.00 4.32 C ATOM 437 OE1 GLU A 25 -15.626 -5.753 4.557 1.00 12.25 O ATOM 438 OE2 GLU A 25 -14.405 -6.901 3.150 1.00 44.44 O ATOM 0 H GLU A 25 -11.511 -4.401 1.902 1.00 2.20 H new ATOM 0 HA GLU A 25 -14.335 -4.660 1.328 1.00 54.31 H new ATOM 0 HB2 GLU A 25 -12.840 -2.911 3.335 1.00 33.02 H new ATOM 0 HB3 GLU A 25 -14.574 -3.162 3.307 1.00 33.02 H new ATOM 0 HG2 GLU A 25 -12.498 -5.337 3.816 1.00 11.43 H new ATOM 0 HG3 GLU A 25 -13.415 -4.510 5.059 1.00 11.43 H new ATOM 445 N GLU A 26 -12.670 -2.015 0.316 1.00 62.50 N ATOM 446 CA GLU A 26 -12.735 -0.753 -0.453 1.00 1.14 C ATOM 447 C GLU A 26 -13.350 -0.982 -1.842 1.00 64.03 C ATOM 448 O GLU A 26 -13.168 -2.043 -2.462 1.00 13.20 O ATOM 449 CB GLU A 26 -11.339 -0.072 -0.586 1.00 4.05 C ATOM 450 CG GLU A 26 -10.681 0.352 0.749 1.00 13.44 C ATOM 451 CD GLU A 26 -11.622 1.146 1.674 1.00 4.02 C ATOM 452 OE1 GLU A 26 -11.809 2.360 1.449 1.00 31.33 O ATOM 453 OE2 GLU A 26 -12.184 0.559 2.632 1.00 75.11 O ATOM 0 H GLU A 26 -11.721 -2.351 0.478 1.00 62.50 H new ATOM 0 HA GLU A 26 -13.380 -0.077 0.109 1.00 1.14 H new ATOM 0 HB2 GLU A 26 -10.666 -0.757 -1.102 1.00 4.05 H new ATOM 0 HB3 GLU A 26 -11.442 0.810 -1.218 1.00 4.05 H new ATOM 0 HG2 GLU A 26 -10.336 -0.539 1.274 1.00 13.44 H new ATOM 0 HG3 GLU A 26 -9.800 0.957 0.534 1.00 13.44 H new ATOM 460 N ARG A 27 -14.100 0.032 -2.297 1.00 61.34 N ATOM 461 CA ARG A 27 -14.824 0.021 -3.578 1.00 14.01 C ATOM 462 C ARG A 27 -14.263 1.132 -4.500 1.00 55.02 C ATOM 463 O ARG A 27 -13.891 2.197 -3.995 1.00 41.25 O ATOM 464 CB ARG A 27 -16.352 0.205 -3.321 1.00 43.03 C ATOM 465 CG ARG A 27 -16.984 -0.922 -2.466 1.00 14.31 C ATOM 466 CD ARG A 27 -16.868 -2.311 -3.128 1.00 0.13 C ATOM 467 NE ARG A 27 -17.375 -3.389 -2.261 1.00 32.01 N ATOM 468 CZ ARG A 27 -16.611 -4.294 -1.629 1.00 31.34 C ATOM 469 NH1 ARG A 27 -15.285 -4.275 -1.748 1.00 45.44 N ATOM 470 NH2 ARG A 27 -17.188 -5.230 -0.888 1.00 43.13 N ATOM 0 H ARG A 27 -14.223 0.900 -1.775 1.00 61.34 H new ATOM 0 HA ARG A 27 -14.682 -0.937 -4.078 1.00 14.01 H new ATOM 0 HB2 ARG A 27 -16.514 1.161 -2.822 1.00 43.03 H new ATOM 0 HB3 ARG A 27 -16.869 0.254 -4.280 1.00 43.03 H new ATOM 0 HG2 ARG A 27 -16.498 -0.948 -1.491 1.00 14.31 H new ATOM 0 HG3 ARG A 27 -18.036 -0.694 -2.292 1.00 14.31 H new ATOM 0 HD2 ARG A 27 -17.423 -2.311 -4.066 1.00 0.13 H new ATOM 0 HD3 ARG A 27 -15.825 -2.507 -3.375 1.00 0.13 H new ATOM 0 HE ARG A 27 -18.385 -3.453 -2.131 1.00 32.01 H new ATOM 0 HH11 ARG A 27 -14.835 -3.565 -2.326 1.00 45.44 H new ATOM 0 HH12 ARG A 27 -14.719 -4.970 -1.261 1.00 45.44 H new ATOM 0 HH21 ARG A 27 -18.204 -5.258 -0.802 1.00 43.13 H new ATOM 0 HH22 ARG A 27 -16.616 -5.922 -0.404 1.00 43.13 H new ATOM 484 N PRO A 28 -14.182 0.926 -5.868 1.00 32.33 N ATOM 485 CA PRO A 28 -14.673 -0.286 -6.582 1.00 32.22 C ATOM 486 C PRO A 28 -13.728 -1.504 -6.405 1.00 71.25 C ATOM 487 O PRO A 28 -14.103 -2.510 -5.793 1.00 21.44 O ATOM 488 CB PRO A 28 -14.751 0.171 -8.081 1.00 1.53 C ATOM 489 CG PRO A 28 -14.394 1.639 -8.088 1.00 43.03 C ATOM 490 CD PRO A 28 -13.586 1.885 -6.831 1.00 45.11 C ATOM 0 HA PRO A 28 -15.631 -0.631 -6.192 1.00 32.22 H new ATOM 0 HB2 PRO A 28 -14.060 -0.401 -8.700 1.00 1.53 H new ATOM 0 HB3 PRO A 28 -15.750 0.010 -8.486 1.00 1.53 H new ATOM 0 HG2 PRO A 28 -13.818 1.895 -8.977 1.00 43.03 H new ATOM 0 HG3 PRO A 28 -15.291 2.258 -8.101 1.00 43.03 H new ATOM 0 HD2 PRO A 28 -12.524 1.694 -6.988 1.00 45.11 H new ATOM 0 HD3 PRO A 28 -13.677 2.915 -6.486 1.00 45.11 H new ATOM 498 N SER A 29 -12.497 -1.365 -6.902 1.00 33.34 N ATOM 499 CA SER A 29 -11.490 -2.424 -6.893 1.00 72.41 C ATOM 500 C SER A 29 -10.111 -1.769 -6.835 1.00 70.42 C ATOM 501 O SER A 29 -9.702 -1.107 -7.797 1.00 75.11 O ATOM 502 CB SER A 29 -11.639 -3.297 -8.166 1.00 61.54 C ATOM 503 OG SER A 29 -10.584 -4.224 -8.292 1.00 73.23 O ATOM 0 H SER A 29 -12.168 -0.499 -7.329 1.00 33.34 H new ATOM 0 HA SER A 29 -11.619 -3.072 -6.026 1.00 72.41 H new ATOM 0 HB2 SER A 29 -12.589 -3.830 -8.132 1.00 61.54 H new ATOM 0 HB3 SER A 29 -11.665 -2.655 -9.046 1.00 61.54 H new ATOM 0 HG SER A 29 -9.809 -3.784 -8.699 1.00 73.23 H new ATOM 509 N VAL A 30 -9.409 -1.928 -5.700 1.00 1.23 N ATOM 510 CA VAL A 30 -8.060 -1.376 -5.522 1.00 51.35 C ATOM 511 C VAL A 30 -7.035 -2.376 -6.065 1.00 42.44 C ATOM 512 O VAL A 30 -6.993 -3.528 -5.626 1.00 65.01 O ATOM 513 CB VAL A 30 -7.745 -1.044 -4.014 1.00 42.23 C ATOM 514 CG1 VAL A 30 -6.314 -0.462 -3.857 1.00 71.32 C ATOM 515 CG2 VAL A 30 -8.808 -0.082 -3.431 1.00 44.43 C ATOM 0 H VAL A 30 -9.759 -2.438 -4.889 1.00 1.23 H new ATOM 0 HA VAL A 30 -8.003 -0.438 -6.074 1.00 51.35 H new ATOM 0 HB VAL A 30 -7.786 -1.974 -3.447 1.00 42.23 H new ATOM 0 HG11 VAL A 30 -6.124 -0.242 -2.806 1.00 71.32 H new ATOM 0 HG12 VAL A 30 -5.584 -1.189 -4.213 1.00 71.32 H new ATOM 0 HG13 VAL A 30 -6.228 0.454 -4.441 1.00 71.32 H new ATOM 0 HG21 VAL A 30 -8.571 0.134 -2.389 1.00 44.43 H new ATOM 0 HG22 VAL A 30 -8.811 0.846 -4.002 1.00 44.43 H new ATOM 0 HG23 VAL A 30 -9.792 -0.548 -3.490 1.00 44.43 H new ATOM 525 N GLN A 31 -6.227 -1.929 -7.034 1.00 65.12 N ATOM 526 CA GLN A 31 -5.194 -2.760 -7.657 1.00 24.45 C ATOM 527 C GLN A 31 -3.950 -2.779 -6.761 1.00 63.44 C ATOM 528 O GLN A 31 -3.460 -1.718 -6.367 1.00 64.41 O ATOM 529 CB GLN A 31 -4.851 -2.209 -9.068 1.00 13.04 C ATOM 530 CG GLN A 31 -6.052 -2.107 -10.033 1.00 2.02 C ATOM 531 CD GLN A 31 -6.857 -3.402 -10.159 1.00 72.04 C ATOM 532 OE1 GLN A 31 -7.854 -3.612 -9.459 1.00 43.15 O ATOM 533 NE2 GLN A 31 -6.410 -4.300 -11.022 1.00 35.33 N ATOM 0 H GLN A 31 -6.272 -0.981 -7.407 1.00 65.12 H new ATOM 0 HA GLN A 31 -5.561 -3.780 -7.770 1.00 24.45 H new ATOM 0 HB2 GLN A 31 -4.406 -1.220 -8.958 1.00 13.04 H new ATOM 0 HB3 GLN A 31 -4.094 -2.851 -9.519 1.00 13.04 H new ATOM 0 HG2 GLN A 31 -6.714 -1.311 -9.691 1.00 2.02 H new ATOM 0 HG3 GLN A 31 -5.689 -1.818 -11.020 1.00 2.02 H new ATOM 0 HE21 GLN A 31 -5.585 -4.098 -11.586 1.00 35.33 H new ATOM 0 HE22 GLN A 31 -6.891 -5.194 -11.123 1.00 35.33 H new ATOM 542 N TYR A 32 -3.473 -3.987 -6.418 1.00 53.23 N ATOM 543 CA TYR A 32 -2.278 -4.161 -5.577 1.00 54.31 C ATOM 544 C TYR A 32 -1.677 -5.572 -5.741 1.00 34.21 C ATOM 545 O TYR A 32 -2.334 -6.477 -6.273 1.00 22.44 O ATOM 546 CB TYR A 32 -2.600 -3.847 -4.085 1.00 41.41 C ATOM 547 CG TYR A 32 -3.547 -4.838 -3.393 1.00 53.51 C ATOM 548 CD1 TYR A 32 -4.939 -4.676 -3.428 1.00 4.33 C ATOM 549 CD2 TYR A 32 -3.047 -5.933 -2.685 1.00 31.04 C ATOM 550 CE1 TYR A 32 -5.780 -5.571 -2.790 1.00 15.21 C ATOM 551 CE2 TYR A 32 -3.884 -6.821 -2.054 1.00 33.14 C ATOM 552 CZ TYR A 32 -5.240 -6.641 -2.103 1.00 0.21 C ATOM 553 OH TYR A 32 -6.061 -7.543 -1.465 1.00 24.43 O ATOM 0 H TYR A 32 -3.901 -4.864 -6.714 1.00 53.23 H new ATOM 0 HA TYR A 32 -1.524 -3.448 -5.912 1.00 54.31 H new ATOM 0 HB2 TYR A 32 -1.664 -3.816 -3.528 1.00 41.41 H new ATOM 0 HB3 TYR A 32 -3.039 -2.851 -4.027 1.00 41.41 H new ATOM 0 HD1 TYR A 32 -5.362 -3.838 -3.962 1.00 4.33 H new ATOM 0 HD2 TYR A 32 -1.979 -6.085 -2.632 1.00 31.04 H new ATOM 0 HE1 TYR A 32 -6.851 -5.434 -2.829 1.00 15.21 H new ATOM 0 HE2 TYR A 32 -3.471 -7.663 -1.518 1.00 33.14 H new ATOM 0 HH TYR A 32 -6.957 -7.506 -1.860 1.00 24.43 H new ATOM 563 N THR A 33 -0.422 -5.734 -5.270 1.00 61.05 N ATOM 564 CA THR A 33 0.308 -7.017 -5.289 1.00 1.33 C ATOM 565 C THR A 33 1.299 -7.076 -4.102 1.00 14.22 C ATOM 566 O THR A 33 2.198 -6.234 -4.002 1.00 61.43 O ATOM 567 CB THR A 33 1.088 -7.225 -6.644 1.00 43.23 C ATOM 568 OG1 THR A 33 0.165 -7.178 -7.751 1.00 24.41 O ATOM 569 CG2 THR A 33 1.864 -8.566 -6.683 1.00 31.01 C ATOM 0 H THR A 33 0.117 -4.970 -4.862 1.00 61.05 H new ATOM 0 HA THR A 33 -0.426 -7.818 -5.198 1.00 1.33 H new ATOM 0 HB THR A 33 1.817 -6.419 -6.720 1.00 43.23 H new ATOM 0 HG1 THR A 33 0.654 -7.306 -8.590 1.00 24.41 H new ATOM 0 HG21 THR A 33 2.383 -8.659 -7.637 1.00 31.01 H new ATOM 0 HG22 THR A 33 2.591 -8.590 -5.871 1.00 31.01 H new ATOM 0 HG23 THR A 33 1.165 -9.394 -6.568 1.00 31.01 H new ATOM 577 N GLU A 34 1.116 -8.070 -3.210 1.00 73.23 N ATOM 578 CA GLU A 34 2.072 -8.380 -2.129 1.00 44.11 C ATOM 579 C GLU A 34 3.146 -9.321 -2.702 1.00 65.12 C ATOM 580 O GLU A 34 2.821 -10.316 -3.360 1.00 40.42 O ATOM 581 CB GLU A 34 1.317 -9.031 -0.925 1.00 44.01 C ATOM 582 CG GLU A 34 2.115 -9.170 0.409 1.00 4.22 C ATOM 583 CD GLU A 34 3.198 -10.271 0.400 1.00 23.53 C ATOM 584 OE1 GLU A 34 2.839 -11.456 0.280 1.00 63.21 O ATOM 585 OE2 GLU A 34 4.405 -9.957 0.496 1.00 40.32 O ATOM 0 H GLU A 34 0.300 -8.681 -3.219 1.00 73.23 H new ATOM 0 HA GLU A 34 2.551 -7.474 -1.758 1.00 44.11 H new ATOM 0 HB2 GLU A 34 0.421 -8.442 -0.726 1.00 44.01 H new ATOM 0 HB3 GLU A 34 0.985 -10.024 -1.228 1.00 44.01 H new ATOM 0 HG2 GLU A 34 2.589 -8.215 0.634 1.00 4.22 H new ATOM 0 HG3 GLU A 34 1.413 -9.376 1.217 1.00 4.22 H new ATOM 592 N THR A 35 4.418 -8.983 -2.461 1.00 62.13 N ATOM 593 CA THR A 35 5.576 -9.741 -2.950 1.00 3.03 C ATOM 594 C THR A 35 6.686 -9.670 -1.882 1.00 43.11 C ATOM 595 O THR A 35 7.048 -8.584 -1.446 1.00 14.22 O ATOM 596 CB THR A 35 6.082 -9.153 -4.318 1.00 54.51 C ATOM 597 OG1 THR A 35 5.019 -9.153 -5.285 1.00 4.31 O ATOM 598 CG2 THR A 35 7.275 -9.930 -4.892 1.00 33.34 C ATOM 0 H THR A 35 4.676 -8.163 -1.912 1.00 62.13 H new ATOM 0 HA THR A 35 5.296 -10.780 -3.123 1.00 3.03 H new ATOM 0 HB THR A 35 6.411 -8.134 -4.113 1.00 54.51 H new ATOM 0 HG1 THR A 35 5.347 -8.783 -6.131 1.00 4.31 H new ATOM 0 HG21 THR A 35 7.582 -9.480 -5.836 1.00 33.34 H new ATOM 0 HG22 THR A 35 8.105 -9.895 -4.187 1.00 33.34 H new ATOM 0 HG23 THR A 35 6.986 -10.967 -5.061 1.00 33.34 H new ATOM 606 N THR A 36 7.180 -10.821 -1.420 1.00 13.20 N ATOM 607 CA THR A 36 8.257 -10.868 -0.419 1.00 12.13 C ATOM 608 C THR A 36 9.619 -10.917 -1.134 1.00 74.10 C ATOM 609 O THR A 36 10.014 -11.960 -1.670 1.00 75.22 O ATOM 610 CB THR A 36 8.075 -12.094 0.529 1.00 63.21 C ATOM 611 OG1 THR A 36 6.710 -12.153 0.971 1.00 73.35 O ATOM 612 CG2 THR A 36 9.009 -12.029 1.760 1.00 63.52 C ATOM 0 H THR A 36 6.852 -11.738 -1.722 1.00 13.20 H new ATOM 0 HA THR A 36 8.216 -9.969 0.196 1.00 12.13 H new ATOM 0 HB THR A 36 8.337 -12.989 -0.036 1.00 63.21 H new ATOM 0 HG1 THR A 36 6.507 -13.058 1.287 1.00 73.35 H new ATOM 0 HG21 THR A 36 8.844 -12.904 2.388 1.00 63.52 H new ATOM 0 HG22 THR A 36 10.047 -12.011 1.428 1.00 63.52 H new ATOM 0 HG23 THR A 36 8.795 -11.126 2.332 1.00 63.52 H new ATOM 620 N ARG A 37 10.307 -9.770 -1.187 1.00 44.13 N ATOM 621 CA ARG A 37 11.617 -9.640 -1.847 1.00 41.34 C ATOM 622 C ARG A 37 12.722 -9.531 -0.783 1.00 42.12 C ATOM 623 O ARG A 37 12.859 -8.495 -0.122 1.00 40.20 O ATOM 624 CB ARG A 37 11.620 -8.396 -2.786 1.00 5.22 C ATOM 625 CG ARG A 37 12.930 -8.214 -3.584 1.00 12.25 C ATOM 626 CD ARG A 37 12.929 -6.992 -4.519 1.00 31.14 C ATOM 627 NE ARG A 37 14.212 -6.881 -5.240 1.00 13.23 N ATOM 628 CZ ARG A 37 14.546 -5.902 -6.093 1.00 24.21 C ATOM 629 NH1 ARG A 37 13.700 -4.907 -6.367 1.00 31.33 N ATOM 630 NH2 ARG A 37 15.742 -5.919 -6.668 1.00 72.25 N ATOM 0 H ARG A 37 9.971 -8.901 -0.772 1.00 44.13 H new ATOM 0 HA ARG A 37 11.808 -10.524 -2.456 1.00 41.34 H new ATOM 0 HB2 ARG A 37 10.789 -8.480 -3.486 1.00 5.22 H new ATOM 0 HB3 ARG A 37 11.444 -7.502 -2.188 1.00 5.22 H new ATOM 0 HG2 ARG A 37 13.760 -8.122 -2.884 1.00 12.25 H new ATOM 0 HG3 ARG A 37 13.110 -9.111 -4.176 1.00 12.25 H new ATOM 0 HD2 ARG A 37 12.111 -7.077 -5.234 1.00 31.14 H new ATOM 0 HD3 ARG A 37 12.753 -6.086 -3.940 1.00 31.14 H new ATOM 0 HE ARG A 37 14.904 -7.612 -5.075 1.00 13.23 H new ATOM 0 HH11 ARG A 37 12.781 -4.882 -5.925 1.00 31.33 H new ATOM 0 HH12 ARG A 37 13.972 -4.171 -7.019 1.00 31.33 H new ATOM 0 HH21 ARG A 37 16.397 -6.672 -6.460 1.00 72.25 H new ATOM 0 HH22 ARG A 37 16.006 -5.179 -7.318 1.00 72.25 H new ATOM 644 N ASN A 38 13.477 -10.641 -0.611 1.00 1.02 N ATOM 645 CA ASN A 38 14.622 -10.749 0.330 1.00 54.13 C ATOM 646 C ASN A 38 14.187 -10.537 1.793 1.00 53.31 C ATOM 647 O ASN A 38 14.988 -10.114 2.634 1.00 63.43 O ATOM 648 CB ASN A 38 15.774 -9.780 -0.082 1.00 74.32 C ATOM 649 CG ASN A 38 16.449 -10.192 -1.390 1.00 62.32 C ATOM 650 OD1 ASN A 38 15.917 -9.733 -2.510 1.00 5.25 O flip ATOM 651 ND2 ASN A 38 17.437 -10.933 -1.391 1.00 52.23 N flip ATOM 0 H ASN A 38 13.307 -11.502 -1.130 1.00 1.02 H new ATOM 0 HA ASN A 38 15.007 -11.767 0.266 1.00 54.13 H new ATOM 0 HB2 ASN A 38 15.375 -8.771 -0.185 1.00 74.32 H new ATOM 0 HB3 ASN A 38 16.519 -9.749 0.713 1.00 74.32 H new ATOM 0 HD21 ASN A 38 17.823 -11.270 -0.509 1.00 52.23 H new ATOM 0 HD22 ASN A 38 17.867 -11.208 -2.274 1.00 52.23 H new ATOM 658 N GLY A 39 12.915 -10.870 2.094 1.00 13.52 N ATOM 659 CA GLY A 39 12.358 -10.710 3.439 1.00 34.54 C ATOM 660 C GLY A 39 11.594 -9.411 3.613 1.00 40.52 C ATOM 661 O GLY A 39 10.901 -9.231 4.619 1.00 72.44 O ATOM 0 H GLY A 39 12.257 -11.253 1.415 1.00 13.52 H new ATOM 0 HA2 GLY A 39 11.694 -11.547 3.653 1.00 34.54 H new ATOM 0 HA3 GLY A 39 13.167 -10.750 4.168 1.00 34.54 H new ATOM 665 N ARG A 40 11.739 -8.489 2.642 1.00 22.00 N ATOM 666 CA ARG A 40 10.978 -7.243 2.625 1.00 30.14 C ATOM 667 C ARG A 40 9.622 -7.521 1.967 1.00 24.13 C ATOM 668 O ARG A 40 9.549 -7.723 0.747 1.00 3.40 O ATOM 669 CB ARG A 40 11.705 -6.096 1.844 1.00 4.54 C ATOM 670 CG ARG A 40 12.963 -5.466 2.508 1.00 4.23 C ATOM 671 CD ARG A 40 14.254 -6.310 2.403 1.00 53.55 C ATOM 672 NE ARG A 40 14.299 -7.426 3.360 1.00 74.34 N ATOM 673 CZ ARG A 40 14.922 -7.413 4.554 1.00 64.35 C ATOM 674 NH1 ARG A 40 15.580 -6.337 4.980 1.00 11.05 N ATOM 675 NH2 ARG A 40 14.897 -8.498 5.311 1.00 3.12 N ATOM 0 H ARG A 40 12.383 -8.593 1.858 1.00 22.00 H new ATOM 0 HA ARG A 40 10.865 -6.903 3.654 1.00 30.14 H new ATOM 0 HB2 ARG A 40 11.998 -6.485 0.869 1.00 4.54 H new ATOM 0 HB3 ARG A 40 10.983 -5.299 1.666 1.00 4.54 H new ATOM 0 HG2 ARG A 40 13.146 -4.493 2.052 1.00 4.23 H new ATOM 0 HG3 ARG A 40 12.748 -5.289 3.562 1.00 4.23 H new ATOM 0 HD2 ARG A 40 14.340 -6.705 1.391 1.00 53.55 H new ATOM 0 HD3 ARG A 40 15.116 -5.664 2.568 1.00 53.55 H new ATOM 0 HE ARG A 40 13.816 -8.285 3.096 1.00 74.34 H new ATOM 0 HH11 ARG A 40 15.620 -5.500 4.398 1.00 11.05 H new ATOM 0 HH12 ARG A 40 16.045 -6.350 5.888 1.00 11.05 H new ATOM 0 HH21 ARG A 40 14.409 -9.334 4.989 1.00 3.12 H new ATOM 0 HH22 ARG A 40 15.366 -8.499 6.217 1.00 3.12 H new ATOM 689 N ARG A 41 8.573 -7.569 2.788 1.00 33.01 N ATOM 690 CA ARG A 41 7.188 -7.513 2.317 1.00 11.22 C ATOM 691 C ARG A 41 6.995 -6.164 1.588 1.00 52.11 C ATOM 692 O ARG A 41 7.174 -5.103 2.198 1.00 0.54 O ATOM 693 CB ARG A 41 6.208 -7.624 3.532 1.00 52.42 C ATOM 694 CG ARG A 41 6.241 -8.972 4.291 1.00 71.45 C ATOM 695 CD ARG A 41 5.754 -10.135 3.419 1.00 1.52 C ATOM 696 NE ARG A 41 5.741 -11.429 4.124 1.00 74.12 N ATOM 697 CZ ARG A 41 5.086 -12.532 3.697 1.00 31.22 C ATOM 698 NH1 ARG A 41 4.376 -12.516 2.568 1.00 62.31 N ATOM 699 NH2 ARG A 41 5.161 -13.654 4.397 1.00 64.52 N ATOM 0 H ARG A 41 8.659 -7.648 3.801 1.00 33.01 H new ATOM 0 HA ARG A 41 6.977 -8.340 1.639 1.00 11.22 H new ATOM 0 HB2 ARG A 41 6.438 -6.824 4.236 1.00 52.42 H new ATOM 0 HB3 ARG A 41 5.193 -7.452 3.175 1.00 52.42 H new ATOM 0 HG2 ARG A 41 7.258 -9.173 4.628 1.00 71.45 H new ATOM 0 HG3 ARG A 41 5.617 -8.901 5.182 1.00 71.45 H new ATOM 0 HD2 ARG A 41 4.748 -9.915 3.061 1.00 1.52 H new ATOM 0 HD3 ARG A 41 6.395 -10.214 2.541 1.00 1.52 H new ATOM 0 HE ARG A 41 6.264 -11.497 4.997 1.00 74.12 H new ATOM 0 HH11 ARG A 41 4.321 -11.663 2.012 1.00 62.31 H new ATOM 0 HH12 ARG A 41 3.888 -13.357 2.260 1.00 62.31 H new ATOM 0 HH21 ARG A 41 5.712 -13.684 5.255 1.00 64.52 H new ATOM 0 HH22 ARG A 41 4.668 -14.488 4.078 1.00 64.52 H new ATOM 713 N GLN A 42 6.736 -6.206 0.270 1.00 24.51 N ATOM 714 CA GLN A 42 6.400 -5.004 -0.511 1.00 72.10 C ATOM 715 C GLN A 42 4.942 -5.099 -0.977 1.00 4.33 C ATOM 716 O GLN A 42 4.542 -6.071 -1.625 1.00 70.20 O ATOM 717 CB GLN A 42 7.375 -4.774 -1.712 1.00 41.32 C ATOM 718 CG GLN A 42 7.409 -5.873 -2.790 1.00 1.24 C ATOM 719 CD GLN A 42 8.291 -5.533 -3.988 1.00 63.31 C ATOM 720 OE1 GLN A 42 9.488 -5.831 -3.998 1.00 52.13 O ATOM 721 NE2 GLN A 42 7.707 -4.898 -5.006 1.00 40.34 N ATOM 0 H GLN A 42 6.753 -7.065 -0.279 1.00 24.51 H new ATOM 0 HA GLN A 42 6.518 -4.133 0.134 1.00 72.10 H new ATOM 0 HB2 GLN A 42 7.108 -3.833 -2.193 1.00 41.32 H new ATOM 0 HB3 GLN A 42 8.383 -4.654 -1.315 1.00 41.32 H new ATOM 0 HG2 GLN A 42 7.765 -6.800 -2.340 1.00 1.24 H new ATOM 0 HG3 GLN A 42 6.393 -6.058 -3.139 1.00 1.24 H new ATOM 0 HE21 GLN A 42 6.714 -4.668 -4.962 1.00 40.34 H new ATOM 0 HE22 GLN A 42 8.253 -4.643 -5.829 1.00 40.34 H new ATOM 730 N LEU A 43 4.131 -4.107 -0.583 1.00 35.42 N ATOM 731 CA LEU A 43 2.744 -3.993 -1.038 1.00 33.33 C ATOM 732 C LEU A 43 2.733 -2.933 -2.137 1.00 70.13 C ATOM 733 O LEU A 43 2.888 -1.746 -1.859 1.00 54.14 O ATOM 734 CB LEU A 43 1.807 -3.601 0.153 1.00 40.03 C ATOM 735 CG LEU A 43 0.378 -4.235 0.166 1.00 51.35 C ATOM 736 CD1 LEU A 43 -0.454 -3.858 -1.063 1.00 23.03 C ATOM 737 CD2 LEU A 43 0.460 -5.759 0.326 1.00 71.31 C ATOM 0 H LEU A 43 4.419 -3.366 0.057 1.00 35.42 H new ATOM 0 HA LEU A 43 2.370 -4.942 -1.423 1.00 33.33 H new ATOM 0 HB2 LEU A 43 2.307 -3.873 1.082 1.00 40.03 H new ATOM 0 HB3 LEU A 43 1.697 -2.517 0.156 1.00 40.03 H new ATOM 0 HG LEU A 43 -0.140 -3.818 1.029 1.00 51.35 H new ATOM 0 HD11 LEU A 43 -1.435 -4.328 -0.996 1.00 23.03 H new ATOM 0 HD12 LEU A 43 -0.572 -2.775 -1.104 1.00 23.03 H new ATOM 0 HD13 LEU A 43 0.053 -4.202 -1.965 1.00 23.03 H new ATOM 0 HD21 LEU A 43 -0.546 -6.179 0.332 1.00 71.31 H new ATOM 0 HD22 LEU A 43 1.025 -6.182 -0.505 1.00 71.31 H new ATOM 0 HD23 LEU A 43 0.960 -6.000 1.264 1.00 71.31 H new ATOM 749 N THR A 44 2.558 -3.381 -3.373 1.00 13.24 N ATOM 750 CA THR A 44 2.637 -2.521 -4.552 1.00 44.52 C ATOM 751 C THR A 44 1.211 -2.180 -4.992 1.00 2.11 C ATOM 752 O THR A 44 0.546 -2.983 -5.640 1.00 3.32 O ATOM 753 CB THR A 44 3.427 -3.259 -5.692 1.00 45.55 C ATOM 754 OG1 THR A 44 4.728 -3.643 -5.199 1.00 0.32 O ATOM 755 CG2 THR A 44 3.592 -2.389 -6.953 1.00 35.41 C ATOM 0 H THR A 44 2.356 -4.357 -3.590 1.00 13.24 H new ATOM 0 HA THR A 44 3.170 -1.598 -4.324 1.00 44.52 H new ATOM 0 HB THR A 44 2.849 -4.138 -5.977 1.00 45.55 H new ATOM 0 HG1 THR A 44 5.403 -3.469 -5.887 1.00 0.32 H new ATOM 0 HG21 THR A 44 4.145 -2.946 -7.710 1.00 35.41 H new ATOM 0 HG22 THR A 44 2.609 -2.124 -7.343 1.00 35.41 H new ATOM 0 HG23 THR A 44 4.139 -1.481 -6.699 1.00 35.41 H new ATOM 763 N ILE A 45 0.766 -0.973 -4.627 1.00 31.15 N ATOM 764 CA ILE A 45 -0.595 -0.485 -4.878 1.00 63.34 C ATOM 765 C ILE A 45 -0.552 0.449 -6.079 1.00 64.32 C ATOM 766 O ILE A 45 0.259 1.358 -6.105 1.00 44.10 O ATOM 767 CB ILE A 45 -1.147 0.295 -3.623 1.00 45.24 C ATOM 768 CG1 ILE A 45 -1.057 -0.610 -2.361 1.00 52.01 C ATOM 769 CG2 ILE A 45 -2.596 0.800 -3.865 1.00 53.34 C ATOM 770 CD1 ILE A 45 -1.430 0.051 -1.051 1.00 51.13 C ATOM 0 H ILE A 45 1.352 -0.295 -4.140 1.00 31.15 H new ATOM 0 HA ILE A 45 -1.255 -1.330 -5.072 1.00 63.34 H new ATOM 0 HB ILE A 45 -0.530 1.178 -3.458 1.00 45.24 H new ATOM 0 HG12 ILE A 45 -1.706 -1.473 -2.509 1.00 52.01 H new ATOM 0 HG13 ILE A 45 -0.038 -0.987 -2.279 1.00 52.01 H new ATOM 0 HG21 ILE A 45 -2.948 1.333 -2.982 1.00 53.34 H new ATOM 0 HG22 ILE A 45 -2.609 1.472 -4.723 1.00 53.34 H new ATOM 0 HG23 ILE A 45 -3.250 -0.050 -4.060 1.00 53.34 H new ATOM 0 HD11 ILE A 45 -1.332 -0.670 -0.239 1.00 51.13 H new ATOM 0 HD12 ILE A 45 -0.767 0.896 -0.868 1.00 51.13 H new ATOM 0 HD13 ILE A 45 -2.460 0.403 -1.101 1.00 51.13 H new ATOM 782 N ARG A 46 -1.393 0.205 -7.081 1.00 62.13 N ATOM 783 CA ARG A 46 -1.480 1.050 -8.278 1.00 10.52 C ATOM 784 C ARG A 46 -2.835 1.772 -8.290 1.00 73.53 C ATOM 785 O ARG A 46 -3.872 1.185 -7.944 1.00 3.42 O ATOM 786 CB ARG A 46 -1.248 0.180 -9.542 1.00 31.45 C ATOM 787 CG ARG A 46 0.161 -0.460 -9.575 1.00 55.14 C ATOM 788 CD ARG A 46 0.430 -1.328 -10.819 1.00 45.23 C ATOM 789 NE ARG A 46 1.809 -1.854 -10.809 1.00 31.02 N ATOM 790 CZ ARG A 46 2.308 -2.764 -11.664 1.00 4.53 C ATOM 791 NH1 ARG A 46 1.554 -3.293 -12.632 1.00 23.21 N ATOM 792 NH2 ARG A 46 3.578 -3.135 -11.548 1.00 72.01 N ATOM 0 H ARG A 46 -2.037 -0.586 -7.089 1.00 62.13 H new ATOM 0 HA ARG A 46 -0.705 1.816 -8.270 1.00 10.52 H new ATOM 0 HB2 ARG A 46 -2.001 -0.607 -9.580 1.00 31.45 H new ATOM 0 HB3 ARG A 46 -1.384 0.795 -10.432 1.00 31.45 H new ATOM 0 HG2 ARG A 46 0.909 0.332 -9.529 1.00 55.14 H new ATOM 0 HG3 ARG A 46 0.291 -1.073 -8.683 1.00 55.14 H new ATOM 0 HD2 ARG A 46 -0.279 -2.156 -10.849 1.00 45.23 H new ATOM 0 HD3 ARG A 46 0.269 -0.737 -11.721 1.00 45.23 H new ATOM 0 HE ARG A 46 2.439 -1.496 -10.091 1.00 31.02 H new ATOM 0 HH11 ARG A 46 0.580 -3.008 -12.733 1.00 23.21 H new ATOM 0 HH12 ARG A 46 1.953 -3.982 -13.270 1.00 23.21 H new ATOM 0 HH21 ARG A 46 4.163 -2.731 -10.817 1.00 72.01 H new ATOM 0 HH22 ARG A 46 3.969 -3.824 -12.190 1.00 72.01 H new ATOM 806 N SER A 47 -2.808 3.052 -8.688 1.00 34.44 N ATOM 807 CA SER A 47 -3.948 3.966 -8.587 1.00 32.21 C ATOM 808 C SER A 47 -4.023 4.869 -9.832 1.00 1.20 C ATOM 809 O SER A 47 -2.989 5.339 -10.331 1.00 32.14 O ATOM 810 CB SER A 47 -3.819 4.812 -7.301 1.00 71.43 C ATOM 811 OG SER A 47 -4.897 5.722 -7.166 1.00 11.33 O ATOM 0 H SER A 47 -1.979 3.485 -9.095 1.00 34.44 H new ATOM 0 HA SER A 47 -4.870 3.387 -8.536 1.00 32.21 H new ATOM 0 HB2 SER A 47 -3.787 4.153 -6.433 1.00 71.43 H new ATOM 0 HB3 SER A 47 -2.878 5.362 -7.319 1.00 71.43 H new ATOM 0 HG SER A 47 -5.282 5.642 -6.268 1.00 11.33 H new ATOM 817 N ASN A 48 -5.255 5.088 -10.327 1.00 44.23 N ATOM 818 CA ASN A 48 -5.522 5.885 -11.546 1.00 30.35 C ATOM 819 C ASN A 48 -6.123 7.269 -11.204 1.00 10.50 C ATOM 820 O ASN A 48 -6.529 8.001 -12.110 1.00 34.24 O ATOM 821 CB ASN A 48 -6.473 5.103 -12.504 1.00 31.20 C ATOM 822 CG ASN A 48 -7.873 4.845 -11.916 1.00 61.05 C ATOM 823 OD1 ASN A 48 -8.030 4.598 -10.722 1.00 4.24 O ATOM 824 ND2 ASN A 48 -8.902 4.920 -12.742 1.00 13.03 N ATOM 0 H ASN A 48 -6.100 4.717 -9.893 1.00 44.23 H new ATOM 0 HA ASN A 48 -4.569 6.054 -12.047 1.00 30.35 H new ATOM 0 HB2 ASN A 48 -6.577 5.662 -13.434 1.00 31.20 H new ATOM 0 HB3 ASN A 48 -6.014 4.147 -12.757 1.00 31.20 H new ATOM 0 HD21 ASN A 48 -9.849 4.772 -12.392 1.00 13.03 H new ATOM 0 HD22 ASN A 48 -8.750 5.126 -13.729 1.00 13.03 H new ATOM 831 N ASP A 49 -6.140 7.645 -9.905 1.00 35.25 N ATOM 832 CA ASP A 49 -6.770 8.912 -9.435 1.00 11.41 C ATOM 833 C ASP A 49 -5.950 9.539 -8.283 1.00 44.41 C ATOM 834 O ASP A 49 -5.395 8.810 -7.458 1.00 45.25 O ATOM 835 CB ASP A 49 -8.229 8.626 -8.992 1.00 42.23 C ATOM 836 CG ASP A 49 -9.051 9.889 -8.672 1.00 32.23 C ATOM 837 OD1 ASP A 49 -9.636 10.479 -9.606 1.00 15.00 O ATOM 838 OD2 ASP A 49 -9.121 10.299 -7.491 1.00 2.34 O ATOM 0 H ASP A 49 -5.724 7.090 -9.157 1.00 35.25 H new ATOM 0 HA ASP A 49 -6.784 9.632 -10.253 1.00 11.41 H new ATOM 0 HB2 ASP A 49 -8.734 8.068 -9.781 1.00 42.23 H new ATOM 0 HB3 ASP A 49 -8.210 7.985 -8.110 1.00 42.23 H new ATOM 843 N LYS A 50 -5.886 10.898 -8.247 1.00 41.41 N ATOM 844 CA LYS A 50 -5.140 11.663 -7.211 1.00 41.24 C ATOM 845 C LYS A 50 -5.739 11.477 -5.799 1.00 15.13 C ATOM 846 O LYS A 50 -4.994 11.258 -4.841 1.00 2.12 O ATOM 847 CB LYS A 50 -5.062 13.190 -7.561 1.00 24.33 C ATOM 848 CG LYS A 50 -3.896 13.600 -8.490 1.00 51.01 C ATOM 849 CD LYS A 50 -2.511 13.334 -7.854 1.00 52.34 C ATOM 850 CE LYS A 50 -1.343 13.874 -8.693 1.00 31.45 C ATOM 851 NZ LYS A 50 -0.032 13.517 -8.083 1.00 15.04 N ATOM 0 H LYS A 50 -6.349 11.492 -8.934 1.00 41.41 H new ATOM 0 HA LYS A 50 -4.129 11.255 -7.205 1.00 41.24 H new ATOM 0 HB2 LYS A 50 -6.000 13.486 -8.031 1.00 24.33 H new ATOM 0 HB3 LYS A 50 -4.979 13.754 -6.632 1.00 24.33 H new ATOM 0 HG2 LYS A 50 -3.973 13.051 -9.428 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -3.984 14.659 -8.732 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -2.480 13.790 -6.864 1.00 52.34 H new ATOM 0 HD3 LYS A 50 -2.383 12.261 -7.714 1.00 52.34 H new ATOM 0 HE2 LYS A 50 -1.399 13.469 -9.703 1.00 31.45 H new ATOM 0 HE3 LYS A 50 -1.424 14.958 -8.779 1.00 31.45 H new ATOM 0 HZ1 LYS A 50 0.662 13.333 -8.835 1.00 15.04 H new ATOM 0 HZ2 LYS A 50 0.300 14.304 -7.489 1.00 15.04 H new ATOM 0 HZ3 LYS A 50 -0.142 12.664 -7.498 1.00 15.04 H new ATOM 865 N ASN A 51 -7.077 11.578 -5.678 1.00 24.13 N ATOM 866 CA ASN A 51 -7.768 11.453 -4.368 1.00 4.31 C ATOM 867 C ASN A 51 -7.670 10.015 -3.840 1.00 5.32 C ATOM 868 O ASN A 51 -7.604 9.795 -2.625 1.00 35.32 O ATOM 869 CB ASN A 51 -9.258 11.879 -4.467 1.00 24.44 C ATOM 870 CG ASN A 51 -9.443 13.332 -4.896 1.00 2.03 C ATOM 871 OD1 ASN A 51 -9.437 14.250 -4.073 1.00 32.42 O ATOM 872 ND2 ASN A 51 -9.631 13.551 -6.184 1.00 30.54 N ATOM 0 H ASN A 51 -7.704 11.745 -6.465 1.00 24.13 H new ATOM 0 HA ASN A 51 -7.268 12.124 -3.670 1.00 4.31 H new ATOM 0 HB2 ASN A 51 -9.768 11.230 -5.179 1.00 24.44 H new ATOM 0 HB3 ASN A 51 -9.737 11.729 -3.499 1.00 24.44 H new ATOM 0 HD21 ASN A 51 -9.777 14.502 -6.524 1.00 30.54 H new ATOM 0 HD22 ASN A 51 -9.630 12.770 -6.840 1.00 30.54 H new ATOM 879 N GLU A 52 -7.647 9.046 -4.779 1.00 4.24 N ATOM 880 CA GLU A 52 -7.531 7.622 -4.452 1.00 15.41 C ATOM 881 C GLU A 52 -6.144 7.307 -3.862 1.00 71.13 C ATOM 882 O GLU A 52 -6.051 6.812 -2.734 1.00 32.30 O ATOM 883 CB GLU A 52 -7.815 6.743 -5.698 1.00 11.00 C ATOM 884 CG GLU A 52 -7.807 5.213 -5.441 1.00 31.43 C ATOM 885 CD GLU A 52 -8.964 4.699 -4.554 1.00 72.40 C ATOM 886 OE1 GLU A 52 -8.892 4.837 -3.314 1.00 44.35 O ATOM 887 OE2 GLU A 52 -9.954 4.156 -5.094 1.00 35.13 O ATOM 0 H GLU A 52 -7.708 9.235 -5.780 1.00 4.24 H new ATOM 0 HA GLU A 52 -8.281 7.387 -3.697 1.00 15.41 H new ATOM 0 HB2 GLU A 52 -8.786 7.022 -6.106 1.00 11.00 H new ATOM 0 HB3 GLU A 52 -7.071 6.971 -6.461 1.00 11.00 H new ATOM 0 HG2 GLU A 52 -7.847 4.697 -6.400 1.00 31.43 H new ATOM 0 HG3 GLU A 52 -6.861 4.942 -4.973 1.00 31.43 H new ATOM 894 N VAL A 53 -5.069 7.638 -4.625 1.00 31.01 N ATOM 895 CA VAL A 53 -3.677 7.388 -4.196 1.00 55.33 C ATOM 896 C VAL A 53 -3.366 8.117 -2.872 1.00 41.11 C ATOM 897 O VAL A 53 -2.695 7.566 -2.013 1.00 50.53 O ATOM 898 CB VAL A 53 -2.617 7.773 -5.311 1.00 30.32 C ATOM 899 CG1 VAL A 53 -2.629 9.274 -5.655 1.00 1.25 C ATOM 900 CG2 VAL A 53 -1.188 7.313 -4.925 1.00 33.05 C ATOM 0 H VAL A 53 -5.146 8.079 -5.541 1.00 31.01 H new ATOM 0 HA VAL A 53 -3.590 6.314 -4.032 1.00 55.33 H new ATOM 0 HB VAL A 53 -2.920 7.236 -6.210 1.00 30.32 H new ATOM 0 HG11 VAL A 53 -1.883 9.477 -6.423 1.00 1.25 H new ATOM 0 HG12 VAL A 53 -3.616 9.555 -6.024 1.00 1.25 H new ATOM 0 HG13 VAL A 53 -2.397 9.854 -4.762 1.00 1.25 H new ATOM 0 HG21 VAL A 53 -0.490 7.594 -5.713 1.00 33.05 H new ATOM 0 HG22 VAL A 53 -0.892 7.790 -3.991 1.00 33.05 H new ATOM 0 HG23 VAL A 53 -1.176 6.230 -4.799 1.00 33.05 H new ATOM 910 N ASP A 54 -3.931 9.326 -2.700 1.00 75.14 N ATOM 911 CA ASP A 54 -3.704 10.163 -1.506 1.00 62.30 C ATOM 912 C ASP A 54 -4.327 9.521 -0.252 1.00 61.30 C ATOM 913 O ASP A 54 -3.714 9.514 0.824 1.00 31.41 O ATOM 914 CB ASP A 54 -4.284 11.579 -1.736 1.00 64.32 C ATOM 915 CG ASP A 54 -3.863 12.580 -0.649 1.00 35.03 C ATOM 916 OD1 ASP A 54 -2.745 13.135 -0.744 1.00 13.33 O ATOM 917 OD2 ASP A 54 -4.636 12.828 0.300 1.00 42.13 O ATOM 0 H ASP A 54 -4.557 9.751 -3.384 1.00 75.14 H new ATOM 0 HA ASP A 54 -2.630 10.242 -1.341 1.00 62.30 H new ATOM 0 HB2 ASP A 54 -3.957 11.947 -2.708 1.00 64.32 H new ATOM 0 HB3 ASP A 54 -5.372 11.520 -1.767 1.00 64.32 H new ATOM 922 N ARG A 55 -5.539 8.960 -0.416 1.00 32.11 N ATOM 923 CA ARG A 55 -6.295 8.342 0.686 1.00 12.11 C ATOM 924 C ARG A 55 -5.625 7.032 1.161 1.00 43.45 C ATOM 925 O ARG A 55 -5.487 6.793 2.367 1.00 32.45 O ATOM 926 CB ARG A 55 -7.759 8.067 0.259 1.00 41.44 C ATOM 927 CG ARG A 55 -8.636 7.466 1.381 1.00 73.30 C ATOM 928 CD ARG A 55 -8.884 8.435 2.554 1.00 65.33 C ATOM 929 NE ARG A 55 -9.739 9.574 2.169 1.00 34.05 N ATOM 930 CZ ARG A 55 -9.859 10.726 2.855 1.00 13.21 C ATOM 931 NH1 ARG A 55 -9.177 10.938 3.977 1.00 32.55 N ATOM 932 NH2 ARG A 55 -10.680 11.668 2.415 1.00 14.54 N ATOM 0 H ARG A 55 -6.020 8.923 -1.315 1.00 32.11 H new ATOM 0 HA ARG A 55 -6.297 9.045 1.519 1.00 12.11 H new ATOM 0 HB2 ARG A 55 -8.209 9.000 -0.081 1.00 41.44 H new ATOM 0 HB3 ARG A 55 -7.757 7.386 -0.592 1.00 41.44 H new ATOM 0 HG2 ARG A 55 -9.595 7.165 0.960 1.00 73.30 H new ATOM 0 HG3 ARG A 55 -8.158 6.563 1.761 1.00 73.30 H new ATOM 0 HD2 ARG A 55 -9.352 7.894 3.376 1.00 65.33 H new ATOM 0 HD3 ARG A 55 -7.928 8.809 2.922 1.00 65.33 H new ATOM 0 HE ARG A 55 -10.284 9.481 1.312 1.00 34.05 H new ATOM 0 HH11 ARG A 55 -8.547 10.220 4.334 1.00 32.55 H new ATOM 0 HH12 ARG A 55 -9.284 11.819 4.480 1.00 32.55 H new ATOM 0 HH21 ARG A 55 -11.217 11.518 1.561 1.00 14.54 H new ATOM 0 HH22 ARG A 55 -10.775 12.543 2.930 1.00 14.54 H new ATOM 946 N ILE A 56 -5.217 6.189 0.202 1.00 30.52 N ATOM 947 CA ILE A 56 -4.542 4.907 0.486 1.00 54.13 C ATOM 948 C ILE A 56 -3.128 5.166 1.082 1.00 32.31 C ATOM 949 O ILE A 56 -2.619 4.391 1.916 1.00 45.31 O ATOM 950 CB ILE A 56 -4.452 4.034 -0.825 1.00 41.11 C ATOM 951 CG1 ILE A 56 -5.869 3.826 -1.460 1.00 61.44 C ATOM 952 CG2 ILE A 56 -3.774 2.678 -0.544 1.00 74.22 C ATOM 953 CD1 ILE A 56 -5.865 3.119 -2.812 1.00 44.14 C ATOM 0 H ILE A 56 -5.344 6.373 -0.793 1.00 30.52 H new ATOM 0 HA ILE A 56 -5.126 4.354 1.222 1.00 54.13 H new ATOM 0 HB ILE A 56 -3.836 4.576 -1.543 1.00 41.11 H new ATOM 0 HG12 ILE A 56 -6.482 3.250 -0.766 1.00 61.44 H new ATOM 0 HG13 ILE A 56 -6.347 4.799 -1.576 1.00 61.44 H new ATOM 0 HG21 ILE A 56 -3.726 2.098 -1.465 1.00 74.22 H new ATOM 0 HG22 ILE A 56 -2.765 2.847 -0.168 1.00 74.22 H new ATOM 0 HG23 ILE A 56 -4.351 2.130 0.200 1.00 74.22 H new ATOM 0 HD11 ILE A 56 -6.888 3.019 -3.174 1.00 44.14 H new ATOM 0 HD12 ILE A 56 -5.283 3.702 -3.526 1.00 44.14 H new ATOM 0 HD13 ILE A 56 -5.421 2.130 -2.704 1.00 44.14 H new ATOM 965 N LEU A 57 -2.532 6.303 0.672 1.00 23.21 N ATOM 966 CA LEU A 57 -1.201 6.732 1.117 1.00 22.23 C ATOM 967 C LEU A 57 -1.209 7.054 2.616 1.00 33.55 C ATOM 968 O LEU A 57 -0.400 6.515 3.374 1.00 72.10 O ATOM 969 CB LEU A 57 -0.740 7.957 0.292 1.00 42.14 C ATOM 970 CG LEU A 57 0.742 8.380 0.448 1.00 43.21 C ATOM 971 CD1 LEU A 57 1.686 7.219 0.091 1.00 2.24 C ATOM 972 CD2 LEU A 57 1.041 9.635 -0.398 1.00 74.44 C ATOM 0 H LEU A 57 -2.969 6.952 0.017 1.00 23.21 H new ATOM 0 HA LEU A 57 -0.495 5.917 0.955 1.00 22.23 H new ATOM 0 HB2 LEU A 57 -0.925 7.748 -0.761 1.00 42.14 H new ATOM 0 HB3 LEU A 57 -1.367 8.806 0.563 1.00 42.14 H new ATOM 0 HG LEU A 57 0.919 8.634 1.493 1.00 43.21 H new ATOM 0 HD11 LEU A 57 2.720 7.542 0.209 1.00 2.24 H new ATOM 0 HD12 LEU A 57 1.492 6.375 0.753 1.00 2.24 H new ATOM 0 HD13 LEU A 57 1.516 6.916 -0.942 1.00 2.24 H new ATOM 0 HD21 LEU A 57 2.087 9.916 -0.275 1.00 74.44 H new ATOM 0 HD22 LEU A 57 0.844 9.421 -1.448 1.00 74.44 H new ATOM 0 HD23 LEU A 57 0.404 10.456 -0.069 1.00 74.44 H new ATOM 984 N GLU A 58 -2.157 7.917 3.041 1.00 43.43 N ATOM 985 CA GLU A 58 -2.316 8.267 4.464 1.00 45.14 C ATOM 986 C GLU A 58 -2.818 7.063 5.283 1.00 42.23 C ATOM 987 O GLU A 58 -2.540 6.985 6.469 1.00 51.11 O ATOM 988 CB GLU A 58 -3.255 9.486 4.655 1.00 13.00 C ATOM 989 CG GLU A 58 -4.667 9.310 4.074 1.00 12.44 C ATOM 990 CD GLU A 58 -5.604 10.489 4.360 1.00 55.14 C ATOM 991 OE1 GLU A 58 -5.353 11.599 3.855 1.00 44.42 O ATOM 992 OE2 GLU A 58 -6.590 10.316 5.104 1.00 25.11 O ATOM 0 H GLU A 58 -2.820 8.381 2.420 1.00 43.43 H new ATOM 0 HA GLU A 58 -1.330 8.546 4.836 1.00 45.14 H new ATOM 0 HB2 GLU A 58 -3.340 9.698 5.721 1.00 13.00 H new ATOM 0 HB3 GLU A 58 -2.793 10.358 4.192 1.00 13.00 H new ATOM 0 HG2 GLU A 58 -4.591 9.171 2.996 1.00 12.44 H new ATOM 0 HG3 GLU A 58 -5.107 8.400 4.483 1.00 12.44 H new ATOM 999 N GLU A 59 -3.531 6.118 4.631 1.00 50.52 N ATOM 1000 CA GLU A 59 -4.029 4.888 5.289 1.00 2.25 C ATOM 1001 C GLU A 59 -2.850 4.105 5.892 1.00 73.22 C ATOM 1002 O GLU A 59 -2.778 3.899 7.116 1.00 1.15 O ATOM 1003 CB GLU A 59 -4.818 4.005 4.274 1.00 43.01 C ATOM 1004 CG GLU A 59 -5.522 2.766 4.879 1.00 74.12 C ATOM 1005 CD GLU A 59 -6.597 3.134 5.919 1.00 1.11 C ATOM 1006 OE1 GLU A 59 -7.586 3.795 5.538 1.00 64.32 O ATOM 1007 OE2 GLU A 59 -6.452 2.785 7.110 1.00 50.20 O ATOM 0 H GLU A 59 -3.776 6.184 3.643 1.00 50.52 H new ATOM 0 HA GLU A 59 -4.711 5.168 6.092 1.00 2.25 H new ATOM 0 HB2 GLU A 59 -5.569 4.626 3.785 1.00 43.01 H new ATOM 0 HB3 GLU A 59 -4.129 3.668 3.499 1.00 43.01 H new ATOM 0 HG2 GLU A 59 -5.982 2.189 4.077 1.00 74.12 H new ATOM 0 HG3 GLU A 59 -4.776 2.123 5.347 1.00 74.12 H new ATOM 1014 N VAL A 60 -1.891 3.741 5.022 1.00 12.32 N ATOM 1015 CA VAL A 60 -0.716 2.973 5.440 1.00 62.14 C ATOM 1016 C VAL A 60 0.249 3.819 6.306 1.00 13.42 C ATOM 1017 O VAL A 60 0.783 3.323 7.280 1.00 70.10 O ATOM 1018 CB VAL A 60 0.048 2.337 4.221 1.00 15.44 C ATOM 1019 CG1 VAL A 60 0.520 3.394 3.196 1.00 54.43 C ATOM 1020 CG2 VAL A 60 1.227 1.467 4.714 1.00 74.31 C ATOM 0 H VAL A 60 -1.911 3.968 4.028 1.00 12.32 H new ATOM 0 HA VAL A 60 -1.092 2.155 6.055 1.00 62.14 H new ATOM 0 HB VAL A 60 -0.661 1.697 3.696 1.00 15.44 H new ATOM 0 HG11 VAL A 60 1.041 2.899 2.376 1.00 54.43 H new ATOM 0 HG12 VAL A 60 -0.343 3.932 2.805 1.00 54.43 H new ATOM 0 HG13 VAL A 60 1.196 4.097 3.683 1.00 54.43 H new ATOM 0 HG21 VAL A 60 1.744 1.035 3.857 1.00 74.31 H new ATOM 0 HG22 VAL A 60 1.922 2.085 5.283 1.00 74.31 H new ATOM 0 HG23 VAL A 60 0.848 0.667 5.350 1.00 74.31 H new ATOM 1030 N ARG A 61 0.437 5.107 5.969 1.00 42.03 N ATOM 1031 CA ARG A 61 1.431 5.959 6.659 1.00 1.22 C ATOM 1032 C ARG A 61 0.984 6.356 8.087 1.00 52.24 C ATOM 1033 O ARG A 61 1.834 6.580 8.957 1.00 60.01 O ATOM 1034 CB ARG A 61 1.769 7.211 5.803 1.00 1.40 C ATOM 1035 CG ARG A 61 2.579 6.904 4.518 1.00 74.14 C ATOM 1036 CD ARG A 61 2.869 8.156 3.662 1.00 4.34 C ATOM 1037 NE ARG A 61 3.631 9.186 4.396 1.00 44.43 N ATOM 1038 CZ ARG A 61 4.649 9.919 3.889 1.00 34.04 C ATOM 1039 NH1 ARG A 61 5.068 9.755 2.632 1.00 5.54 N ATOM 1040 NH2 ARG A 61 5.243 10.822 4.655 1.00 60.01 N ATOM 0 H ARG A 61 -0.080 5.581 5.229 1.00 42.03 H new ATOM 0 HA ARG A 61 2.338 5.365 6.775 1.00 1.22 H new ATOM 0 HB2 ARG A 61 0.840 7.707 5.523 1.00 1.40 H new ATOM 0 HB3 ARG A 61 2.334 7.914 6.415 1.00 1.40 H new ATOM 0 HG2 ARG A 61 3.524 6.436 4.796 1.00 74.14 H new ATOM 0 HG3 ARG A 61 2.030 6.180 3.916 1.00 74.14 H new ATOM 0 HD2 ARG A 61 3.427 7.862 2.773 1.00 4.34 H new ATOM 0 HD3 ARG A 61 1.926 8.583 3.319 1.00 4.34 H new ATOM 0 HE ARG A 61 3.368 9.359 5.366 1.00 44.43 H new ATOM 0 HH11 ARG A 61 4.618 9.065 2.031 1.00 5.54 H new ATOM 0 HH12 ARG A 61 5.838 10.320 2.273 1.00 5.54 H new ATOM 0 HH21 ARG A 61 4.932 10.959 5.617 1.00 60.01 H new ATOM 0 HH22 ARG A 61 6.011 11.380 4.283 1.00 60.01 H new ATOM 1054 N ARG A 62 -0.343 6.432 8.332 1.00 54.14 N ATOM 1055 CA ARG A 62 -0.885 6.767 9.672 1.00 45.35 C ATOM 1056 C ARG A 62 -0.957 5.514 10.555 1.00 62.41 C ATOM 1057 O ARG A 62 -0.565 5.551 11.726 1.00 13.04 O ATOM 1058 CB ARG A 62 -2.296 7.424 9.578 1.00 22.51 C ATOM 1059 CG ARG A 62 -2.313 8.813 8.910 1.00 31.31 C ATOM 1060 CD ARG A 62 -1.506 9.866 9.677 1.00 73.13 C ATOM 1061 NE ARG A 62 -2.097 10.178 10.991 1.00 15.31 N ATOM 1062 CZ ARG A 62 -2.690 11.343 11.317 1.00 73.15 C ATOM 1063 NH1 ARG A 62 -2.787 12.338 10.427 1.00 54.53 N ATOM 1064 NH2 ARG A 62 -3.168 11.515 12.545 1.00 71.20 N ATOM 0 H ARG A 62 -1.058 6.267 7.623 1.00 54.14 H new ATOM 0 HA ARG A 62 -0.204 7.488 10.123 1.00 45.35 H new ATOM 0 HB2 ARG A 62 -2.956 6.759 9.021 1.00 22.51 H new ATOM 0 HB3 ARG A 62 -2.709 7.513 10.583 1.00 22.51 H new ATOM 0 HG2 ARG A 62 -1.916 8.727 7.899 1.00 31.31 H new ATOM 0 HG3 ARG A 62 -3.345 9.152 8.819 1.00 31.31 H new ATOM 0 HD2 ARG A 62 -0.486 9.508 9.816 1.00 73.13 H new ATOM 0 HD3 ARG A 62 -1.446 10.778 9.083 1.00 73.13 H new ATOM 0 HE ARG A 62 -2.054 9.455 11.710 1.00 15.31 H new ATOM 0 HH11 ARG A 62 -2.409 12.220 9.487 1.00 54.53 H new ATOM 0 HH12 ARG A 62 -3.239 13.214 10.689 1.00 54.53 H new ATOM 0 HH21 ARG A 62 -3.085 10.768 13.234 1.00 71.20 H new ATOM 0 HH22 ARG A 62 -3.618 12.395 12.799 1.00 71.20 H new ATOM 1078 N LYS A 63 -1.463 4.404 9.982 1.00 14.33 N ATOM 1079 CA LYS A 63 -1.686 3.157 10.741 1.00 51.22 C ATOM 1080 C LYS A 63 -0.359 2.415 10.971 1.00 31.31 C ATOM 1081 O LYS A 63 -0.088 1.975 12.089 1.00 33.32 O ATOM 1082 CB LYS A 63 -2.748 2.252 10.024 1.00 64.54 C ATOM 1083 CG LYS A 63 -4.230 2.659 10.287 1.00 62.33 C ATOM 1084 CD LYS A 63 -4.554 4.124 9.902 1.00 32.13 C ATOM 1085 CE LYS A 63 -5.947 4.583 10.356 1.00 22.32 C ATOM 1086 NZ LYS A 63 -7.037 3.788 9.732 1.00 23.13 N ATOM 0 H LYS A 63 -1.725 4.345 8.998 1.00 14.33 H new ATOM 0 HA LYS A 63 -2.088 3.414 11.721 1.00 51.22 H new ATOM 0 HB2 LYS A 63 -2.563 2.278 8.950 1.00 64.54 H new ATOM 0 HB3 LYS A 63 -2.605 1.221 10.347 1.00 64.54 H new ATOM 0 HG2 LYS A 63 -4.885 1.992 9.726 1.00 62.33 H new ATOM 0 HG3 LYS A 63 -4.455 2.513 11.343 1.00 62.33 H new ATOM 0 HD2 LYS A 63 -3.803 4.781 10.340 1.00 32.13 H new ATOM 0 HD3 LYS A 63 -4.479 4.232 8.820 1.00 32.13 H new ATOM 0 HE2 LYS A 63 -6.017 4.502 11.441 1.00 22.32 H new ATOM 0 HE3 LYS A 63 -6.079 5.635 10.105 1.00 22.32 H new ATOM 0 HZ1 LYS A 63 -7.885 4.381 9.631 1.00 23.13 H new ATOM 0 HZ2 LYS A 63 -6.732 3.457 8.794 1.00 23.13 H new ATOM 0 HZ3 LYS A 63 -7.257 2.969 10.333 1.00 23.13 H new ATOM 1100 N VAL A 64 0.478 2.341 9.927 1.00 52.21 N ATOM 1101 CA VAL A 64 1.788 1.656 9.965 1.00 11.34 C ATOM 1102 C VAL A 64 2.924 2.709 10.063 1.00 40.05 C ATOM 1103 O VAL A 64 3.175 3.437 9.094 1.00 12.21 O ATOM 1104 CB VAL A 64 1.989 0.768 8.673 1.00 12.44 C ATOM 1105 CG1 VAL A 64 3.348 0.035 8.687 1.00 21.35 C ATOM 1106 CG2 VAL A 64 0.811 -0.220 8.483 1.00 52.40 C ATOM 0 H VAL A 64 0.267 2.758 9.020 1.00 52.21 H new ATOM 0 HA VAL A 64 1.818 1.006 10.839 1.00 11.34 H new ATOM 0 HB VAL A 64 1.998 1.440 7.815 1.00 12.44 H new ATOM 0 HG11 VAL A 64 3.447 -0.564 7.782 1.00 21.35 H new ATOM 0 HG12 VAL A 64 4.155 0.766 8.728 1.00 21.35 H new ATOM 0 HG13 VAL A 64 3.402 -0.615 9.560 1.00 21.35 H new ATOM 0 HG21 VAL A 64 0.978 -0.817 7.586 1.00 52.40 H new ATOM 0 HG22 VAL A 64 0.744 -0.878 9.350 1.00 52.40 H new ATOM 0 HG23 VAL A 64 -0.119 0.339 8.379 1.00 52.40 H new ATOM 1116 N PRO A 65 3.590 2.850 11.254 1.00 25.15 N ATOM 1117 CA PRO A 65 4.793 3.704 11.401 1.00 11.53 C ATOM 1118 C PRO A 65 6.078 3.026 10.870 1.00 53.14 C ATOM 1119 O PRO A 65 7.005 3.706 10.412 1.00 15.25 O ATOM 1120 CB PRO A 65 4.865 3.939 12.931 1.00 31.11 C ATOM 1121 CG PRO A 65 4.256 2.707 13.536 1.00 21.30 C ATOM 1122 CD PRO A 65 3.188 2.241 12.557 1.00 54.11 C ATOM 0 HA PRO A 65 4.723 4.624 10.820 1.00 11.53 H new ATOM 0 HB2 PRO A 65 5.894 4.075 13.262 1.00 31.11 H new ATOM 0 HB3 PRO A 65 4.316 4.835 13.220 1.00 31.11 H new ATOM 0 HG2 PRO A 65 5.009 1.934 13.688 1.00 21.30 H new ATOM 0 HG3 PRO A 65 3.822 2.925 14.512 1.00 21.30 H new ATOM 0 HD2 PRO A 65 3.154 1.153 12.494 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.196 2.574 12.862 1.00 54.11 H new ATOM 1130 N ASN A 66 6.111 1.681 10.921 1.00 1.43 N ATOM 1131 CA ASN A 66 7.312 0.888 10.620 1.00 31.12 C ATOM 1132 C ASN A 66 7.210 0.284 9.205 1.00 32.13 C ATOM 1133 O ASN A 66 6.959 -0.915 9.046 1.00 13.14 O ATOM 1134 CB ASN A 66 7.516 -0.211 11.712 1.00 24.53 C ATOM 1135 CG ASN A 66 7.708 0.363 13.127 1.00 64.23 C ATOM 1136 OD1 ASN A 66 8.240 1.457 13.304 1.00 60.12 O ATOM 1137 ND2 ASN A 66 7.286 -0.372 14.145 1.00 42.42 N ATOM 0 H ASN A 66 5.301 1.114 11.173 1.00 1.43 H new ATOM 0 HA ASN A 66 8.189 1.535 10.637 1.00 31.12 H new ATOM 0 HB2 ASN A 66 6.653 -0.877 11.712 1.00 24.53 H new ATOM 0 HB3 ASN A 66 8.385 -0.815 11.452 1.00 24.53 H new ATOM 0 HD21 ASN A 66 7.400 -0.033 15.100 1.00 42.42 H new ATOM 0 HD22 ASN A 66 6.847 -1.277 13.974 1.00 42.42 H new ATOM 1144 N ALA A 67 7.354 1.161 8.189 1.00 64.41 N ATOM 1145 CA ALA A 67 7.381 0.772 6.761 1.00 54.40 C ATOM 1146 C ALA A 67 7.891 1.941 5.903 1.00 63.43 C ATOM 1147 O ALA A 67 7.454 3.082 6.093 1.00 22.22 O ATOM 1148 CB ALA A 67 5.989 0.331 6.260 1.00 72.12 C ATOM 0 H ALA A 67 7.455 2.165 8.336 1.00 64.41 H new ATOM 0 HA ALA A 67 8.058 -0.077 6.667 1.00 54.40 H new ATOM 0 HB1 ALA A 67 6.052 0.054 5.208 1.00 72.12 H new ATOM 0 HB2 ALA A 67 5.648 -0.526 6.841 1.00 72.12 H new ATOM 0 HB3 ALA A 67 5.283 1.153 6.377 1.00 72.12 H new ATOM 1154 N ARG A 68 8.825 1.644 4.979 1.00 61.42 N ATOM 1155 CA ARG A 68 9.280 2.590 3.955 1.00 3.12 C ATOM 1156 C ARG A 68 8.217 2.674 2.840 1.00 73.31 C ATOM 1157 O ARG A 68 8.151 1.808 1.970 1.00 35.31 O ATOM 1158 CB ARG A 68 10.646 2.116 3.358 1.00 0.21 C ATOM 1159 CG ARG A 68 11.320 3.105 2.364 1.00 42.30 C ATOM 1160 CD ARG A 68 12.142 4.204 3.061 1.00 62.05 C ATOM 1161 NE ARG A 68 11.367 4.979 4.058 1.00 54.20 N ATOM 1162 CZ ARG A 68 11.763 5.255 5.321 1.00 1.15 C ATOM 1163 NH1 ARG A 68 12.938 4.824 5.784 1.00 54.31 N ATOM 1164 NH2 ARG A 68 10.977 5.974 6.113 1.00 61.32 N ATOM 0 H ARG A 68 9.284 0.735 4.926 1.00 61.42 H new ATOM 0 HA ARG A 68 9.419 3.574 4.402 1.00 3.12 H new ATOM 0 HB2 ARG A 68 11.336 1.927 4.180 1.00 0.21 H new ATOM 0 HB3 ARG A 68 10.490 1.165 2.848 1.00 0.21 H new ATOM 0 HG2 ARG A 68 11.971 2.546 1.691 1.00 42.30 H new ATOM 0 HG3 ARG A 68 10.551 3.572 1.749 1.00 42.30 H new ATOM 0 HD2 ARG A 68 13.000 3.747 3.555 1.00 62.05 H new ATOM 0 HD3 ARG A 68 12.534 4.887 2.307 1.00 62.05 H new ATOM 0 HE ARG A 68 10.457 5.335 3.767 1.00 54.20 H new ATOM 0 HH11 ARG A 68 13.554 4.277 5.182 1.00 54.31 H new ATOM 0 HH12 ARG A 68 13.221 5.042 6.740 1.00 54.31 H new ATOM 0 HH21 ARG A 68 10.080 6.315 5.768 1.00 61.32 H new ATOM 0 HH22 ARG A 68 11.270 6.185 7.067 1.00 61.32 H new ATOM 1178 N VAL A 69 7.390 3.719 2.871 1.00 1.11 N ATOM 1179 CA VAL A 69 6.315 3.919 1.893 1.00 5.14 C ATOM 1180 C VAL A 69 6.837 4.819 0.760 1.00 11.02 C ATOM 1181 O VAL A 69 7.134 5.997 0.979 1.00 23.11 O ATOM 1182 CB VAL A 69 5.042 4.528 2.588 1.00 60.12 C ATOM 1183 CG1 VAL A 69 3.905 4.756 1.577 1.00 11.13 C ATOM 1184 CG2 VAL A 69 4.569 3.620 3.755 1.00 53.33 C ATOM 0 H VAL A 69 7.445 4.454 3.576 1.00 1.11 H new ATOM 0 HA VAL A 69 6.014 2.962 1.467 1.00 5.14 H new ATOM 0 HB VAL A 69 5.319 5.500 2.998 1.00 60.12 H new ATOM 0 HG11 VAL A 69 3.041 5.177 2.090 1.00 11.13 H new ATOM 0 HG12 VAL A 69 4.240 5.447 0.803 1.00 11.13 H new ATOM 0 HG13 VAL A 69 3.628 3.806 1.121 1.00 11.13 H new ATOM 0 HG21 VAL A 69 3.688 4.058 4.223 1.00 53.33 H new ATOM 0 HG22 VAL A 69 4.321 2.631 3.369 1.00 53.33 H new ATOM 0 HG23 VAL A 69 5.366 3.532 4.494 1.00 53.33 H new ATOM 1194 N ARG A 70 7.001 4.233 -0.435 1.00 45.33 N ATOM 1195 CA ARG A 70 7.634 4.897 -1.580 1.00 52.41 C ATOM 1196 C ARG A 70 6.548 5.283 -2.609 1.00 73.23 C ATOM 1197 O ARG A 70 5.937 4.413 -3.239 1.00 35.34 O ATOM 1198 CB ARG A 70 8.723 3.957 -2.215 1.00 34.32 C ATOM 1199 CG ARG A 70 10.044 4.645 -2.663 1.00 52.32 C ATOM 1200 CD ARG A 70 9.894 5.685 -3.798 1.00 34.04 C ATOM 1201 NE ARG A 70 9.207 6.923 -3.374 1.00 51.42 N ATOM 1202 CZ ARG A 70 9.797 8.004 -2.840 1.00 33.00 C ATOM 1203 NH1 ARG A 70 11.121 8.059 -2.669 1.00 51.41 N ATOM 1204 NH2 ARG A 70 9.045 9.019 -2.436 1.00 73.54 N ATOM 0 H ARG A 70 6.696 3.280 -0.634 1.00 45.33 H new ATOM 0 HA ARG A 70 8.136 5.807 -1.251 1.00 52.41 H new ATOM 0 HB2 ARG A 70 8.969 3.180 -1.492 1.00 34.32 H new ATOM 0 HB3 ARG A 70 8.285 3.460 -3.080 1.00 34.32 H new ATOM 0 HG2 ARG A 70 10.490 5.137 -1.798 1.00 52.32 H new ATOM 0 HG3 ARG A 70 10.744 3.875 -2.988 1.00 52.32 H new ATOM 0 HD2 ARG A 70 10.883 5.940 -4.180 1.00 34.04 H new ATOM 0 HD3 ARG A 70 9.340 5.235 -4.622 1.00 34.04 H new ATOM 0 HE ARG A 70 8.195 6.959 -3.498 1.00 51.42 H new ATOM 0 HH11 ARG A 70 11.704 7.270 -2.946 1.00 51.41 H new ATOM 0 HH12 ARG A 70 11.548 8.890 -2.261 1.00 51.41 H new ATOM 0 HH21 ARG A 70 8.031 8.972 -2.533 1.00 73.54 H new ATOM 0 HH22 ARG A 70 9.481 9.846 -2.029 1.00 73.54 H new ATOM 1218 N GLU A 71 6.314 6.599 -2.744 1.00 1.23 N ATOM 1219 CA GLU A 71 5.406 7.170 -3.752 1.00 40.40 C ATOM 1220 C GLU A 71 6.159 7.254 -5.095 1.00 11.41 C ATOM 1221 O GLU A 71 7.093 8.059 -5.239 1.00 24.13 O ATOM 1222 CB GLU A 71 4.914 8.599 -3.345 1.00 23.10 C ATOM 1223 CG GLU A 71 4.297 8.724 -1.927 1.00 50.14 C ATOM 1224 CD GLU A 71 5.316 8.644 -0.769 1.00 0.43 C ATOM 1225 OE1 GLU A 71 6.442 9.171 -0.928 1.00 21.31 O ATOM 1226 OE2 GLU A 71 5.008 8.055 0.287 1.00 35.21 O ATOM 0 H GLU A 71 6.754 7.303 -2.151 1.00 1.23 H new ATOM 0 HA GLU A 71 4.529 6.528 -3.834 1.00 40.40 H new ATOM 0 HB2 GLU A 71 5.757 9.286 -3.415 1.00 23.10 H new ATOM 0 HB3 GLU A 71 4.173 8.928 -4.073 1.00 23.10 H new ATOM 0 HG2 GLU A 71 3.765 9.673 -1.860 1.00 50.14 H new ATOM 0 HG3 GLU A 71 3.557 7.934 -1.797 1.00 50.14 H new ATOM 1233 N THR A 72 5.795 6.383 -6.035 1.00 31.13 N ATOM 1234 CA THR A 72 6.363 6.353 -7.390 1.00 43.52 C ATOM 1235 C THR A 72 5.292 6.754 -8.410 1.00 11.43 C ATOM 1236 O THR A 72 4.281 6.058 -8.559 1.00 31.15 O ATOM 1237 CB THR A 72 6.929 4.931 -7.732 1.00 31.15 C ATOM 1238 OG1 THR A 72 5.975 3.914 -7.371 1.00 1.44 O ATOM 1239 CG2 THR A 72 8.259 4.662 -7.015 1.00 45.41 C ATOM 0 H THR A 72 5.087 5.666 -5.878 1.00 31.13 H new ATOM 0 HA THR A 72 7.188 7.064 -7.434 1.00 43.52 H new ATOM 0 HB THR A 72 7.109 4.902 -8.807 1.00 31.15 H new ATOM 0 HG1 THR A 72 5.913 3.855 -6.395 1.00 1.44 H new ATOM 0 HG21 THR A 72 8.619 3.667 -7.277 1.00 45.41 H new ATOM 0 HG22 THR A 72 8.994 5.406 -7.321 1.00 45.41 H new ATOM 0 HG23 THR A 72 8.110 4.721 -5.937 1.00 45.41 H new ATOM 1247 N GLU A 73 5.500 7.903 -9.069 1.00 51.01 N ATOM 1248 CA GLU A 73 4.689 8.329 -10.215 1.00 44.23 C ATOM 1249 C GLU A 73 5.473 7.980 -11.493 1.00 31.02 C ATOM 1250 O GLU A 73 6.408 8.700 -11.874 1.00 22.00 O ATOM 1251 CB GLU A 73 4.381 9.854 -10.134 1.00 63.22 C ATOM 1252 CG GLU A 73 3.638 10.286 -8.849 1.00 24.10 C ATOM 1253 CD GLU A 73 3.368 11.800 -8.776 1.00 20.10 C ATOM 1254 OE1 GLU A 73 4.229 12.541 -8.262 1.00 14.53 O ATOM 1255 OE2 GLU A 73 2.299 12.262 -9.235 1.00 14.43 O ATOM 0 H GLU A 73 6.237 8.563 -8.821 1.00 51.01 H new ATOM 0 HA GLU A 73 3.728 7.815 -10.218 1.00 44.23 H new ATOM 0 HB2 GLU A 73 5.319 10.406 -10.200 1.00 63.22 H new ATOM 0 HB3 GLU A 73 3.782 10.138 -10.999 1.00 63.22 H new ATOM 0 HG2 GLU A 73 2.689 9.752 -8.790 1.00 24.10 H new ATOM 0 HG3 GLU A 73 4.226 9.987 -7.981 1.00 24.10 H new ATOM 1262 N THR A 74 5.117 6.842 -12.120 1.00 71.22 N ATOM 1263 CA THR A 74 5.753 6.367 -13.358 1.00 40.42 C ATOM 1264 C THR A 74 5.182 7.162 -14.542 1.00 45.13 C ATOM 1265 O THR A 74 3.990 7.456 -14.557 1.00 72.01 O ATOM 1266 CB THR A 74 5.515 4.829 -13.559 1.00 5.11 C ATOM 1267 OG1 THR A 74 5.707 4.146 -12.303 1.00 52.14 O ATOM 1268 CG2 THR A 74 6.473 4.223 -14.615 1.00 1.41 C ATOM 0 H THR A 74 4.378 6.227 -11.779 1.00 71.22 H new ATOM 0 HA THR A 74 6.830 6.524 -13.294 1.00 40.42 H new ATOM 0 HB THR A 74 4.494 4.698 -13.918 1.00 5.11 H new ATOM 0 HG1 THR A 74 5.557 3.185 -12.427 1.00 52.14 H new ATOM 0 HG21 THR A 74 6.271 3.157 -14.720 1.00 1.41 H new ATOM 0 HG22 THR A 74 6.318 4.718 -15.574 1.00 1.41 H new ATOM 0 HG23 THR A 74 7.505 4.367 -14.295 1.00 1.41 H new