USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 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= 0.0515 X(o=0.1,f=-0.032) USER MOD Set 1.2: A 44 THR OG1 : rot -130:sc= 0.0508 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 31 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.021) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 160:sc= 0.171 (180deg=0) USER MOD Set 3.2: A 9 TYR OH : rot 180:sc= 0.171 USER MOD Set 4.1: A 5 GLN : amide:sc= -0.24 K(o=0.2,f=-0.84) USER MOD Set 4.2: A 72 THR OG1 : rot -12:sc= 0.437 USER MOD Single : A 3 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.29) USER MOD Single : A 10 SER OG : rot 180:sc= -0.137 USER MOD Single : A 12 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.8) USER MOD Single : A 32 TYR OH : rot 1:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.6 K(o=-2.6,f=-0.45) USER MOD Single : A 47 SER OG : rot 150:sc= -0.0398 USER MOD Single : A 48 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.01) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.358 (180deg=0.248) USER MOD Single : A 66 ASN : amide:sc= -0.634 K(o=-0.63,f=-3.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 0.418 7.302 -13.960 1.00 50.10 N ATOM 28 CA GLN A 3 -0.068 6.369 -12.920 1.00 73.34 C ATOM 29 C GLN A 3 0.790 6.487 -11.649 1.00 14.51 C ATOM 30 O GLN A 3 2.024 6.486 -11.722 1.00 51.14 O ATOM 31 CB GLN A 3 -0.058 4.915 -13.456 1.00 52.14 C ATOM 32 CG GLN A 3 -0.640 3.864 -12.483 1.00 41.22 C ATOM 33 CD GLN A 3 -0.715 2.447 -13.070 1.00 53.13 C ATOM 34 OE1 GLN A 3 0.108 2.048 -13.895 1.00 42.43 O ATOM 35 NE2 GLN A 3 -1.715 1.687 -12.661 1.00 70.43 N ATOM 0 HA GLN A 3 -1.094 6.634 -12.664 1.00 73.34 H new ATOM 0 HB2 GLN A 3 -0.624 4.881 -14.387 1.00 52.14 H new ATOM 0 HB3 GLN A 3 0.968 4.638 -13.697 1.00 52.14 H new ATOM 0 HG2 GLN A 3 -0.029 3.841 -11.581 1.00 41.22 H new ATOM 0 HG3 GLN A 3 -1.640 4.176 -12.183 1.00 41.22 H new ATOM 0 HE21 GLN A 3 -2.381 2.045 -11.977 1.00 70.43 H new ATOM 0 HE22 GLN A 3 -1.821 0.742 -13.030 1.00 70.43 H new ATOM 44 N TRP A 4 0.126 6.555 -10.489 1.00 45.45 N ATOM 45 CA TRP A 4 0.776 6.711 -9.176 1.00 63.14 C ATOM 46 C TRP A 4 0.845 5.350 -8.465 1.00 2.43 C ATOM 47 O TRP A 4 -0.090 4.542 -8.571 1.00 51.24 O ATOM 48 CB TRP A 4 0.002 7.760 -8.340 1.00 42.44 C ATOM 49 CG TRP A 4 -0.031 9.118 -9.017 1.00 33.32 C ATOM 50 CD1 TRP A 4 0.927 10.088 -8.951 1.00 32.32 C ATOM 51 CD2 TRP A 4 -1.051 9.634 -9.888 1.00 32.01 C ATOM 52 NE1 TRP A 4 0.582 11.150 -9.740 1.00 70.30 N ATOM 53 CE2 TRP A 4 -0.630 10.906 -10.311 1.00 70.41 C ATOM 54 CE3 TRP A 4 -2.277 9.146 -10.345 1.00 22.03 C ATOM 55 CZ2 TRP A 4 -1.379 11.691 -11.177 1.00 41.41 C ATOM 56 CZ3 TRP A 4 -3.024 9.932 -11.202 1.00 3.24 C ATOM 57 CH2 TRP A 4 -2.576 11.194 -11.607 1.00 73.33 C ATOM 0 H TRP A 4 -0.891 6.503 -10.432 1.00 45.45 H new ATOM 0 HA TRP A 4 1.798 7.069 -9.303 1.00 63.14 H new ATOM 0 HB2 TRP A 4 -1.018 7.412 -8.177 1.00 42.44 H new ATOM 0 HB3 TRP A 4 0.467 7.856 -7.359 1.00 42.44 H new ATOM 0 HD1 TRP A 4 1.829 10.026 -8.360 1.00 32.32 H new ATOM 0 HE1 TRP A 4 1.143 11.991 -9.879 1.00 70.30 H new ATOM 0 HE3 TRP A 4 -2.634 8.175 -10.035 1.00 22.03 H new ATOM 0 HZ2 TRP A 4 -1.028 12.660 -11.499 1.00 41.41 H new ATOM 0 HZ3 TRP A 4 -3.972 9.565 -11.566 1.00 3.24 H new ATOM 0 HH2 TRP A 4 -3.188 11.786 -12.272 1.00 73.33 H new ATOM 68 N GLN A 5 1.951 5.112 -7.738 1.00 14.41 N ATOM 69 CA GLN A 5 2.299 3.781 -7.194 1.00 34.23 C ATOM 70 C GLN A 5 2.911 3.913 -5.783 1.00 4.30 C ATOM 71 O GLN A 5 3.998 4.468 -5.620 1.00 54.33 O ATOM 72 CB GLN A 5 3.303 3.085 -8.158 1.00 61.43 C ATOM 73 CG GLN A 5 3.659 1.626 -7.808 1.00 14.44 C ATOM 74 CD GLN A 5 4.707 1.011 -8.751 1.00 41.23 C ATOM 75 OE1 GLN A 5 4.619 -0.156 -9.127 1.00 52.11 O ATOM 76 NE2 GLN A 5 5.751 1.769 -9.068 1.00 3.01 N ATOM 0 H GLN A 5 2.632 5.836 -7.509 1.00 14.41 H new ATOM 0 HA GLN A 5 1.395 3.178 -7.112 1.00 34.23 H new ATOM 0 HB2 GLN A 5 2.887 3.107 -9.165 1.00 61.43 H new ATOM 0 HB3 GLN A 5 4.223 3.669 -8.180 1.00 61.43 H new ATOM 0 HG2 GLN A 5 4.033 1.586 -6.785 1.00 14.44 H new ATOM 0 HG3 GLN A 5 2.753 1.021 -7.839 1.00 14.44 H new ATOM 0 HE21 GLN A 5 5.798 2.734 -8.742 1.00 3.01 H new ATOM 0 HE22 GLN A 5 6.506 1.386 -9.637 1.00 3.01 H new ATOM 85 N ILE A 6 2.193 3.414 -4.773 1.00 53.11 N ATOM 86 CA ILE A 6 2.649 3.403 -3.373 1.00 54.44 C ATOM 87 C ILE A 6 3.109 1.980 -3.007 1.00 34.03 C ATOM 88 O ILE A 6 2.290 1.062 -2.908 1.00 64.03 O ATOM 89 CB ILE A 6 1.488 3.873 -2.423 1.00 22.41 C ATOM 90 CG1 ILE A 6 0.939 5.250 -2.904 1.00 74.55 C ATOM 91 CG2 ILE A 6 1.951 3.932 -0.943 1.00 11.12 C ATOM 92 CD1 ILE A 6 -0.306 5.697 -2.187 1.00 41.41 C ATOM 0 H ILE A 6 1.269 3.001 -4.902 1.00 53.11 H new ATOM 0 HA ILE A 6 3.485 4.092 -3.252 1.00 54.44 H new ATOM 0 HB ILE A 6 0.682 3.140 -2.471 1.00 22.41 H new ATOM 0 HG12 ILE A 6 1.714 6.005 -2.770 1.00 74.55 H new ATOM 0 HG13 ILE A 6 0.730 5.193 -3.972 1.00 74.55 H new ATOM 0 HG21 ILE A 6 1.123 4.261 -0.315 1.00 11.12 H new ATOM 0 HG22 ILE A 6 2.277 2.942 -0.624 1.00 11.12 H new ATOM 0 HG23 ILE A 6 2.779 4.635 -0.848 1.00 11.12 H new ATOM 0 HD11 ILE A 6 -0.625 6.663 -2.579 1.00 41.41 H new ATOM 0 HD12 ILE A 6 -1.098 4.964 -2.341 1.00 41.41 H new ATOM 0 HD13 ILE A 6 -0.099 5.788 -1.121 1.00 41.41 H new ATOM 104 N LYS A 7 4.427 1.806 -2.847 1.00 44.13 N ATOM 105 CA LYS A 7 5.037 0.513 -2.515 1.00 34.01 C ATOM 106 C LYS A 7 5.500 0.529 -1.057 1.00 11.42 C ATOM 107 O LYS A 7 6.292 1.389 -0.660 1.00 65.14 O ATOM 108 CB LYS A 7 6.210 0.224 -3.474 1.00 4.41 C ATOM 109 CG LYS A 7 5.803 0.194 -4.960 1.00 32.54 C ATOM 110 CD LYS A 7 7.004 -0.078 -5.886 1.00 2.12 C ATOM 111 CE LYS A 7 8.044 1.058 -5.874 1.00 40.43 C ATOM 112 NZ LYS A 7 9.347 0.604 -6.444 1.00 44.12 N ATOM 0 H LYS A 7 5.104 2.563 -2.945 1.00 44.13 H new ATOM 0 HA LYS A 7 4.304 -0.284 -2.634 1.00 34.01 H new ATOM 0 HB2 LYS A 7 6.979 0.984 -3.332 1.00 4.41 H new ATOM 0 HB3 LYS A 7 6.656 -0.735 -3.209 1.00 4.41 H new ATOM 0 HG2 LYS A 7 5.047 -0.576 -5.113 1.00 32.54 H new ATOM 0 HG3 LYS A 7 5.347 1.147 -5.229 1.00 32.54 H new ATOM 0 HD2 LYS A 7 7.486 -1.007 -5.583 1.00 2.12 H new ATOM 0 HD3 LYS A 7 6.644 -0.223 -6.905 1.00 2.12 H new ATOM 0 HE2 LYS A 7 7.668 1.905 -6.449 1.00 40.43 H new ATOM 0 HE3 LYS A 7 8.193 1.407 -4.852 1.00 40.43 H new ATOM 0 HZ1 LYS A 7 9.905 1.431 -6.738 1.00 44.12 H new ATOM 0 HZ2 LYS A 7 9.874 0.070 -5.724 1.00 44.12 H new ATOM 0 HZ3 LYS A 7 9.172 -0.006 -7.268 1.00 44.12 H new ATOM 126 N ILE A 8 4.980 -0.416 -0.278 1.00 1.45 N ATOM 127 CA ILE A 8 5.199 -0.503 1.168 1.00 11.25 C ATOM 128 C ILE A 8 6.087 -1.737 1.454 1.00 40.14 C ATOM 129 O ILE A 8 5.716 -2.830 1.082 1.00 11.24 O ATOM 130 CB ILE A 8 3.812 -0.639 1.911 1.00 34.34 C ATOM 131 CG1 ILE A 8 2.759 0.377 1.338 1.00 4.33 C ATOM 132 CG2 ILE A 8 4.001 -0.443 3.429 1.00 53.43 C ATOM 133 CD1 ILE A 8 1.320 0.097 1.738 1.00 50.12 C ATOM 0 H ILE A 8 4.382 -1.159 -0.639 1.00 1.45 H new ATOM 0 HA ILE A 8 5.695 0.398 1.530 1.00 11.25 H new ATOM 0 HB ILE A 8 3.426 -1.643 1.737 1.00 34.34 H new ATOM 0 HG12 ILE A 8 3.025 1.380 1.670 1.00 4.33 H new ATOM 0 HG13 ILE A 8 2.826 0.373 0.250 1.00 4.33 H new ATOM 0 HG21 ILE A 8 3.038 -0.539 3.931 1.00 53.43 H new ATOM 0 HG22 ILE A 8 4.686 -1.200 3.811 1.00 53.43 H new ATOM 0 HG23 ILE A 8 4.412 0.548 3.619 1.00 53.43 H new ATOM 0 HD11 ILE A 8 0.667 0.849 1.296 1.00 50.12 H new ATOM 0 HD12 ILE A 8 1.029 -0.891 1.381 1.00 50.12 H new ATOM 0 HD13 ILE A 8 1.231 0.132 2.824 1.00 50.12 H new ATOM 145 N TYR A 9 7.249 -1.555 2.104 1.00 44.14 N ATOM 146 CA TYR A 9 8.232 -2.630 2.342 1.00 23.13 C ATOM 147 C TYR A 9 8.333 -2.893 3.852 1.00 21.33 C ATOM 148 O TYR A 9 8.853 -2.059 4.598 1.00 52.20 O ATOM 149 CB TYR A 9 9.630 -2.221 1.789 1.00 53.33 C ATOM 150 CG TYR A 9 9.647 -1.798 0.313 1.00 54.14 C ATOM 151 CD1 TYR A 9 9.369 -0.479 -0.066 1.00 63.23 C ATOM 152 CD2 TYR A 9 9.952 -2.709 -0.694 1.00 73.22 C ATOM 153 CE1 TYR A 9 9.396 -0.100 -1.392 1.00 14.21 C ATOM 154 CE2 TYR A 9 9.978 -2.330 -2.019 1.00 61.51 C ATOM 155 CZ TYR A 9 9.704 -1.025 -2.360 1.00 41.41 C ATOM 156 OH TYR A 9 9.734 -0.648 -3.679 1.00 40.31 O ATOM 0 H TYR A 9 7.536 -0.652 2.482 1.00 44.14 H new ATOM 0 HA TYR A 9 7.905 -3.533 1.827 1.00 23.13 H new ATOM 0 HB2 TYR A 9 10.016 -1.398 2.391 1.00 53.33 H new ATOM 0 HB3 TYR A 9 10.315 -3.059 1.919 1.00 53.33 H new ATOM 0 HD1 TYR A 9 9.130 0.253 0.691 1.00 63.23 H new ATOM 0 HD2 TYR A 9 10.173 -3.733 -0.432 1.00 73.22 H new ATOM 0 HE1 TYR A 9 9.176 0.921 -1.668 1.00 14.21 H new ATOM 0 HE2 TYR A 9 10.212 -3.054 -2.786 1.00 61.51 H new ATOM 0 HH TYR A 9 9.969 -1.420 -4.235 1.00 40.31 H new ATOM 166 N SER A 10 7.785 -4.024 4.308 1.00 24.24 N ATOM 167 CA SER A 10 7.953 -4.500 5.686 1.00 50.44 C ATOM 168 C SER A 10 8.078 -6.025 5.673 1.00 32.22 C ATOM 169 O SER A 10 7.278 -6.708 5.027 1.00 55.33 O ATOM 170 CB SER A 10 6.763 -4.077 6.580 1.00 33.40 C ATOM 171 OG SER A 10 6.648 -2.667 6.671 1.00 70.52 O ATOM 0 H SER A 10 7.210 -4.638 3.730 1.00 24.24 H new ATOM 0 HA SER A 10 8.855 -4.051 6.102 1.00 50.44 H new ATOM 0 HB2 SER A 10 5.839 -4.492 6.176 1.00 33.40 H new ATOM 0 HB3 SER A 10 6.891 -4.496 7.578 1.00 33.40 H new ATOM 0 HG SER A 10 5.885 -2.437 7.242 1.00 70.52 H new ATOM 177 N GLU A 11 9.098 -6.537 6.377 1.00 15.12 N ATOM 178 CA GLU A 11 9.262 -7.988 6.642 1.00 2.22 C ATOM 179 C GLU A 11 8.049 -8.510 7.430 1.00 35.14 C ATOM 180 O GLU A 11 7.549 -9.613 7.190 1.00 20.30 O ATOM 181 CB GLU A 11 10.606 -8.277 7.405 1.00 24.11 C ATOM 182 CG GLU A 11 10.725 -7.686 8.834 1.00 45.02 C ATOM 183 CD GLU A 11 10.794 -6.146 8.896 1.00 50.03 C ATOM 184 OE1 GLU A 11 11.903 -5.587 8.781 1.00 21.23 O ATOM 185 OE2 GLU A 11 9.738 -5.486 9.054 1.00 51.11 O ATOM 0 H GLU A 11 9.837 -5.963 6.782 1.00 15.12 H new ATOM 0 HA GLU A 11 9.314 -8.516 5.690 1.00 2.22 H new ATOM 0 HB2 GLU A 11 10.738 -9.357 7.469 1.00 24.11 H new ATOM 0 HB3 GLU A 11 11.430 -7.891 6.805 1.00 24.11 H new ATOM 0 HG2 GLU A 11 9.871 -8.021 9.422 1.00 45.02 H new ATOM 0 HG3 GLU A 11 11.618 -8.095 9.307 1.00 45.02 H new ATOM 192 N ASN A 12 7.557 -7.654 8.335 1.00 43.22 N ATOM 193 CA ASN A 12 6.404 -7.936 9.174 1.00 43.43 C ATOM 194 C ASN A 12 5.107 -7.724 8.360 1.00 14.20 C ATOM 195 O ASN A 12 4.595 -6.602 8.248 1.00 52.12 O ATOM 196 CB ASN A 12 6.450 -7.038 10.441 1.00 74.15 C ATOM 197 CG ASN A 12 5.428 -7.446 11.504 1.00 10.00 C ATOM 198 OD1 ASN A 12 5.091 -8.627 11.627 1.00 53.32 O ATOM 199 ND2 ASN A 12 4.937 -6.498 12.290 1.00 14.23 N ATOM 0 H ASN A 12 7.962 -6.733 8.501 1.00 43.22 H new ATOM 0 HA ASN A 12 6.422 -8.975 9.503 1.00 43.43 H new ATOM 0 HB2 ASN A 12 7.450 -7.080 10.872 1.00 74.15 H new ATOM 0 HB3 ASN A 12 6.271 -6.003 10.152 1.00 74.15 H new ATOM 0 HD21 ASN A 12 4.264 -6.737 13.018 1.00 14.23 H new ATOM 0 HD22 ASN A 12 5.233 -5.530 12.167 1.00 14.23 H new ATOM 206 N GLU A 13 4.622 -8.824 7.752 1.00 43.44 N ATOM 207 CA GLU A 13 3.350 -8.858 6.999 1.00 41.15 C ATOM 208 C GLU A 13 2.128 -8.633 7.923 1.00 44.12 C ATOM 209 O GLU A 13 1.031 -8.386 7.423 1.00 44.12 O ATOM 210 CB GLU A 13 3.213 -10.197 6.199 1.00 42.15 C ATOM 211 CG GLU A 13 3.740 -11.466 6.908 1.00 3.10 C ATOM 212 CD GLU A 13 3.141 -11.724 8.303 1.00 11.42 C ATOM 213 OE1 GLU A 13 2.014 -12.245 8.394 1.00 53.25 O ATOM 214 OE2 GLU A 13 3.801 -11.402 9.318 1.00 22.53 O ATOM 0 H GLU A 13 5.105 -9.722 7.769 1.00 43.44 H new ATOM 0 HA GLU A 13 3.370 -8.034 6.285 1.00 41.15 H new ATOM 0 HB2 GLU A 13 2.160 -10.349 5.960 1.00 42.15 H new ATOM 0 HB3 GLU A 13 3.742 -10.087 5.252 1.00 42.15 H new ATOM 0 HG2 GLU A 13 3.536 -12.330 6.275 1.00 3.10 H new ATOM 0 HG3 GLU A 13 4.823 -11.389 7.002 1.00 3.10 H new ATOM 221 N ARG A 14 2.338 -8.734 9.263 1.00 13.13 N ATOM 222 CA ARG A 14 1.311 -8.442 10.289 1.00 42.33 C ATOM 223 C ARG A 14 0.740 -7.025 10.107 1.00 60.22 C ATOM 224 O ARG A 14 -0.473 -6.798 10.266 1.00 54.54 O ATOM 225 CB ARG A 14 1.903 -8.595 11.715 1.00 71.53 C ATOM 226 CG ARG A 14 0.925 -8.318 12.882 1.00 64.34 C ATOM 227 CD ARG A 14 -0.319 -9.220 12.832 1.00 53.52 C ATOM 228 NE ARG A 14 -1.242 -8.969 13.943 1.00 45.03 N ATOM 229 CZ ARG A 14 -2.244 -9.776 14.302 1.00 32.10 C ATOM 230 NH1 ARG A 14 -2.486 -10.916 13.636 1.00 24.43 N ATOM 231 NH2 ARG A 14 -2.998 -9.435 15.337 1.00 54.24 N ATOM 0 H ARG A 14 3.232 -9.023 9.660 1.00 13.13 H new ATOM 0 HA ARG A 14 0.501 -9.161 10.165 1.00 42.33 H new ATOM 0 HB2 ARG A 14 2.288 -9.609 11.821 1.00 71.53 H new ATOM 0 HB3 ARG A 14 2.753 -7.919 11.810 1.00 71.53 H new ATOM 0 HG2 ARG A 14 1.442 -8.470 13.829 1.00 64.34 H new ATOM 0 HG3 ARG A 14 0.614 -7.274 12.852 1.00 64.34 H new ATOM 0 HD2 ARG A 14 -0.841 -9.061 11.888 1.00 53.52 H new ATOM 0 HD3 ARG A 14 -0.007 -10.264 12.852 1.00 53.52 H new ATOM 0 HE ARG A 14 -1.109 -8.114 14.483 1.00 45.03 H new ATOM 0 HH11 ARG A 14 -1.901 -11.177 12.843 1.00 24.43 H new ATOM 0 HH12 ARG A 14 -3.255 -11.521 13.923 1.00 24.43 H new ATOM 0 HH21 ARG A 14 -2.808 -8.570 15.843 1.00 54.24 H new ATOM 0 HH22 ARG A 14 -3.768 -10.037 15.627 1.00 54.24 H new ATOM 245 N GLU A 15 1.623 -6.086 9.754 1.00 62.41 N ATOM 246 CA GLU A 15 1.240 -4.701 9.469 1.00 4.44 C ATOM 247 C GLU A 15 0.347 -4.661 8.215 1.00 55.42 C ATOM 248 O GLU A 15 -0.704 -4.013 8.201 1.00 25.45 O ATOM 249 CB GLU A 15 2.516 -3.838 9.298 1.00 4.35 C ATOM 250 CG GLU A 15 3.523 -3.964 10.463 1.00 33.34 C ATOM 251 CD GLU A 15 2.910 -3.754 11.869 1.00 41.02 C ATOM 252 OE1 GLU A 15 2.785 -2.593 12.309 1.00 14.10 O ATOM 253 OE2 GLU A 15 2.554 -4.754 12.543 1.00 64.21 O ATOM 0 H GLU A 15 2.623 -6.265 9.658 1.00 62.41 H new ATOM 0 HA GLU A 15 0.666 -4.289 10.299 1.00 4.44 H new ATOM 0 HB2 GLU A 15 3.013 -4.122 8.370 1.00 4.35 H new ATOM 0 HB3 GLU A 15 2.224 -2.793 9.196 1.00 4.35 H new ATOM 0 HG2 GLU A 15 3.981 -4.952 10.425 1.00 33.34 H new ATOM 0 HG3 GLU A 15 4.321 -3.236 10.316 1.00 33.34 H new ATOM 260 N PHE A 16 0.740 -5.460 7.210 1.00 3.31 N ATOM 261 CA PHE A 16 0.045 -5.550 5.913 1.00 4.11 C ATOM 262 C PHE A 16 -1.317 -6.239 6.040 1.00 40.14 C ATOM 263 O PHE A 16 -2.166 -6.036 5.185 1.00 52.51 O ATOM 264 CB PHE A 16 0.920 -6.300 4.874 1.00 43.44 C ATOM 265 CG PHE A 16 2.167 -5.555 4.403 1.00 63.00 C ATOM 266 CD1 PHE A 16 2.711 -4.491 5.132 1.00 5.53 C ATOM 267 CD2 PHE A 16 2.796 -5.920 3.215 1.00 64.44 C ATOM 268 CE1 PHE A 16 3.829 -3.824 4.687 1.00 34.44 C ATOM 269 CE2 PHE A 16 3.912 -5.243 2.773 1.00 54.13 C ATOM 270 CZ PHE A 16 4.431 -4.203 3.512 1.00 54.15 C ATOM 0 H PHE A 16 1.557 -6.068 7.274 1.00 3.31 H new ATOM 0 HA PHE A 16 -0.126 -4.530 5.570 1.00 4.11 H new ATOM 0 HB2 PHE A 16 1.228 -7.252 5.305 1.00 43.44 H new ATOM 0 HB3 PHE A 16 0.304 -6.528 4.004 1.00 43.44 H new ATOM 0 HD1 PHE A 16 2.246 -4.189 6.059 1.00 5.53 H new ATOM 0 HD2 PHE A 16 2.405 -6.742 2.634 1.00 64.44 H new ATOM 0 HE1 PHE A 16 4.233 -3.003 5.261 1.00 34.44 H new ATOM 0 HE2 PHE A 16 4.382 -5.529 1.843 1.00 54.13 H new ATOM 0 HZ PHE A 16 5.313 -3.684 3.167 1.00 54.15 H new ATOM 280 N ARG A 17 -1.513 -7.051 7.100 1.00 12.24 N ATOM 281 CA ARG A 17 -2.794 -7.750 7.342 1.00 5.24 C ATOM 282 C ARG A 17 -3.969 -6.752 7.423 1.00 10.32 C ATOM 283 O ARG A 17 -4.994 -6.944 6.761 1.00 45.21 O ATOM 284 CB ARG A 17 -2.739 -8.623 8.621 1.00 12.05 C ATOM 285 CG ARG A 17 -1.682 -9.744 8.569 1.00 24.11 C ATOM 286 CD ARG A 17 -1.871 -10.706 7.379 1.00 30.24 C ATOM 287 NE ARG A 17 -0.762 -11.665 7.256 1.00 53.30 N ATOM 288 CZ ARG A 17 -0.720 -12.695 6.400 1.00 35.23 C ATOM 289 NH1 ARG A 17 -1.730 -12.939 5.566 1.00 34.12 N ATOM 290 NH2 ARG A 17 0.342 -13.482 6.387 1.00 44.12 N ATOM 0 H ARG A 17 -0.799 -7.239 7.804 1.00 12.24 H new ATOM 0 HA ARG A 17 -2.961 -8.411 6.492 1.00 5.24 H new ATOM 0 HB2 ARG A 17 -2.532 -7.982 9.478 1.00 12.05 H new ATOM 0 HB3 ARG A 17 -3.720 -9.069 8.786 1.00 12.05 H new ATOM 0 HG2 ARG A 17 -0.690 -9.296 8.511 1.00 24.11 H new ATOM 0 HG3 ARG A 17 -1.721 -10.314 9.497 1.00 24.11 H new ATOM 0 HD2 ARG A 17 -2.808 -11.250 7.500 1.00 30.24 H new ATOM 0 HD3 ARG A 17 -1.954 -10.129 6.458 1.00 30.24 H new ATOM 0 HE ARG A 17 0.040 -11.535 7.873 1.00 53.30 H new ATOM 0 HH11 ARG A 17 -2.553 -12.337 5.572 1.00 34.12 H new ATOM 0 HH12 ARG A 17 -1.680 -13.728 4.921 1.00 34.12 H new ATOM 0 HH21 ARG A 17 1.118 -13.302 7.024 1.00 44.12 H new ATOM 0 HH22 ARG A 17 0.385 -14.269 5.740 1.00 44.12 H new ATOM 304 N GLU A 18 -3.777 -5.662 8.199 1.00 54.24 N ATOM 305 CA GLU A 18 -4.772 -4.579 8.304 1.00 41.00 C ATOM 306 C GLU A 18 -4.917 -3.827 6.957 1.00 10.41 C ATOM 307 O GLU A 18 -6.040 -3.480 6.561 1.00 14.10 O ATOM 308 CB GLU A 18 -4.415 -3.588 9.448 1.00 33.45 C ATOM 309 CG GLU A 18 -4.600 -4.138 10.885 1.00 21.24 C ATOM 310 CD GLU A 18 -4.689 -3.011 11.935 1.00 24.53 C ATOM 311 OE1 GLU A 18 -5.785 -2.441 12.116 1.00 30.02 O ATOM 312 OE2 GLU A 18 -3.666 -2.660 12.553 1.00 1.02 O ATOM 0 H GLU A 18 -2.939 -5.512 8.761 1.00 54.24 H new ATOM 0 HA GLU A 18 -5.731 -5.038 8.546 1.00 41.00 H new ATOM 0 HB2 GLU A 18 -3.377 -3.278 9.327 1.00 33.45 H new ATOM 0 HB3 GLU A 18 -5.030 -2.695 9.337 1.00 33.45 H new ATOM 0 HG2 GLU A 18 -5.506 -4.743 10.927 1.00 21.24 H new ATOM 0 HG3 GLU A 18 -3.766 -4.796 11.130 1.00 21.24 H new ATOM 319 N LEU A 19 -3.785 -3.614 6.249 1.00 32.22 N ATOM 320 CA LEU A 19 -3.772 -2.915 4.940 1.00 11.05 C ATOM 321 C LEU A 19 -4.588 -3.685 3.878 1.00 2.23 C ATOM 322 O LEU A 19 -5.355 -3.078 3.128 1.00 70.35 O ATOM 323 CB LEU A 19 -2.318 -2.637 4.438 1.00 34.10 C ATOM 324 CG LEU A 19 -1.617 -1.350 5.009 1.00 33.35 C ATOM 325 CD1 LEU A 19 -2.410 -0.056 4.655 1.00 23.50 C ATOM 326 CD2 LEU A 19 -1.349 -1.454 6.537 1.00 25.15 C ATOM 0 H LEU A 19 -2.863 -3.917 6.563 1.00 32.22 H new ATOM 0 HA LEU A 19 -4.252 -1.949 5.094 1.00 11.05 H new ATOM 0 HB2 LEU A 19 -1.700 -3.501 4.684 1.00 34.10 H new ATOM 0 HB3 LEU A 19 -2.340 -2.561 3.351 1.00 34.10 H new ATOM 0 HG LEU A 19 -0.645 -1.282 4.521 1.00 33.35 H new ATOM 0 HD11 LEU A 19 -1.894 0.811 5.067 1.00 23.50 H new ATOM 0 HD12 LEU A 19 -2.479 0.044 3.572 1.00 23.50 H new ATOM 0 HD13 LEU A 19 -3.413 -0.116 5.078 1.00 23.50 H new ATOM 0 HD21 LEU A 19 -0.864 -0.542 6.884 1.00 25.15 H new ATOM 0 HD22 LEU A 19 -2.294 -1.586 7.064 1.00 25.15 H new ATOM 0 HD23 LEU A 19 -0.701 -2.308 6.735 1.00 25.15 H new ATOM 338 N ILE A 20 -4.461 -5.023 3.866 1.00 73.51 N ATOM 339 CA ILE A 20 -5.235 -5.900 2.957 1.00 21.41 C ATOM 340 C ILE A 20 -6.741 -5.719 3.224 1.00 45.13 C ATOM 341 O ILE A 20 -7.531 -5.525 2.291 1.00 12.40 O ATOM 342 CB ILE A 20 -4.835 -7.426 3.121 1.00 0.32 C ATOM 343 CG1 ILE A 20 -3.328 -7.661 2.761 1.00 65.20 C ATOM 344 CG2 ILE A 20 -5.755 -8.367 2.296 1.00 51.51 C ATOM 345 CD1 ILE A 20 -2.913 -7.290 1.339 1.00 32.32 C ATOM 0 H ILE A 20 -3.824 -5.529 4.481 1.00 73.51 H new ATOM 0 HA ILE A 20 -5.001 -5.609 1.933 1.00 21.41 H new ATOM 0 HB ILE A 20 -4.977 -7.677 4.172 1.00 0.32 H new ATOM 0 HG12 ILE A 20 -2.715 -7.089 3.458 1.00 65.20 H new ATOM 0 HG13 ILE A 20 -3.096 -8.714 2.923 1.00 65.20 H new ATOM 0 HG21 ILE A 20 -5.442 -9.401 2.441 1.00 51.51 H new ATOM 0 HG22 ILE A 20 -6.787 -8.251 2.628 1.00 51.51 H new ATOM 0 HG23 ILE A 20 -5.683 -8.111 1.239 1.00 51.51 H new ATOM 0 HD11 ILE A 20 -1.851 -7.495 1.205 1.00 32.32 H new ATOM 0 HD12 ILE A 20 -3.489 -7.880 0.626 1.00 32.32 H new ATOM 0 HD13 ILE A 20 -3.102 -6.230 1.170 1.00 32.32 H new ATOM 357 N GLU A 21 -7.098 -5.701 4.520 1.00 63.22 N ATOM 358 CA GLU A 21 -8.481 -5.503 4.975 1.00 44.33 C ATOM 359 C GLU A 21 -9.044 -4.138 4.534 1.00 31.55 C ATOM 360 O GLU A 21 -10.234 -4.030 4.249 1.00 14.11 O ATOM 361 CB GLU A 21 -8.553 -5.647 6.512 1.00 35.23 C ATOM 362 CG GLU A 21 -8.150 -7.037 7.040 1.00 3.52 C ATOM 363 CD GLU A 21 -9.048 -8.184 6.535 1.00 32.31 C ATOM 364 OE1 GLU A 21 -10.095 -8.453 7.165 1.00 1.04 O ATOM 365 OE2 GLU A 21 -8.714 -8.830 5.517 1.00 50.31 O ATOM 0 H GLU A 21 -6.431 -5.824 5.282 1.00 63.22 H new ATOM 0 HA GLU A 21 -9.099 -6.271 4.510 1.00 44.33 H new ATOM 0 HB2 GLU A 21 -7.905 -4.897 6.966 1.00 35.23 H new ATOM 0 HB3 GLU A 21 -9.570 -5.429 6.838 1.00 35.23 H new ATOM 0 HG2 GLU A 21 -7.120 -7.241 6.748 1.00 3.52 H new ATOM 0 HG3 GLU A 21 -8.176 -7.022 8.130 1.00 3.52 H new ATOM 372 N ARG A 22 -8.178 -3.105 4.470 1.00 72.21 N ATOM 373 CA ARG A 22 -8.577 -1.764 3.986 1.00 31.42 C ATOM 374 C ARG A 22 -8.908 -1.827 2.482 1.00 41.24 C ATOM 375 O ARG A 22 -10.006 -1.452 2.053 1.00 23.54 O ATOM 376 CB ARG A 22 -7.455 -0.708 4.228 1.00 14.21 C ATOM 377 CG ARG A 22 -6.923 -0.587 5.674 1.00 55.33 C ATOM 378 CD ARG A 22 -8.011 -0.414 6.750 1.00 34.41 C ATOM 379 NE ARG A 22 -8.651 -1.694 7.122 1.00 33.21 N ATOM 380 CZ ARG A 22 -9.939 -1.850 7.484 1.00 12.22 C ATOM 381 NH1 ARG A 22 -10.766 -0.811 7.534 1.00 74.15 N ATOM 382 NH2 ARG A 22 -10.393 -3.053 7.817 1.00 0.32 N ATOM 0 H ARG A 22 -7.199 -3.172 4.747 1.00 72.21 H new ATOM 0 HA ARG A 22 -9.459 -1.457 4.548 1.00 31.42 H new ATOM 0 HB2 ARG A 22 -6.616 -0.946 3.574 1.00 14.21 H new ATOM 0 HB3 ARG A 22 -7.832 0.267 3.920 1.00 14.21 H new ATOM 0 HG2 ARG A 22 -6.340 -1.478 5.907 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.242 0.263 5.726 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -7.570 0.039 7.638 1.00 34.41 H new ATOM 0 HD3 ARG A 22 -8.772 0.276 6.385 1.00 34.41 H new ATOM 0 HE ARG A 22 -8.067 -2.530 7.103 1.00 33.21 H new ATOM 0 HH11 ARG A 22 -10.428 0.122 7.296 1.00 74.15 H new ATOM 0 HH12 ARG A 22 -11.739 -0.946 7.810 1.00 74.15 H new ATOM 0 HH21 ARG A 22 -9.766 -3.858 7.798 1.00 0.32 H new ATOM 0 HH22 ARG A 22 -11.368 -3.172 8.091 1.00 0.32 H new ATOM 396 N LEU A 23 -7.947 -2.377 1.713 1.00 21.31 N ATOM 397 CA LEU A 23 -7.968 -2.384 0.235 1.00 54.35 C ATOM 398 C LEU A 23 -9.104 -3.259 -0.347 1.00 44.00 C ATOM 399 O LEU A 23 -9.591 -2.986 -1.455 1.00 35.25 O ATOM 400 CB LEU A 23 -6.570 -2.820 -0.321 1.00 44.14 C ATOM 401 CG LEU A 23 -5.502 -1.680 -0.488 1.00 63.11 C ATOM 402 CD1 LEU A 23 -6.016 -0.589 -1.445 1.00 14.23 C ATOM 403 CD2 LEU A 23 -5.058 -1.064 0.864 1.00 22.22 C ATOM 0 H LEU A 23 -7.124 -2.835 2.105 1.00 21.31 H new ATOM 0 HA LEU A 23 -8.178 -1.365 -0.091 1.00 54.35 H new ATOM 0 HB2 LEU A 23 -6.159 -3.579 0.344 1.00 44.14 H new ATOM 0 HB3 LEU A 23 -6.720 -3.293 -1.291 1.00 44.14 H new ATOM 0 HG LEU A 23 -4.616 -2.143 -0.922 1.00 63.11 H new ATOM 0 HD11 LEU A 23 -5.261 0.191 -1.547 1.00 14.23 H new ATOM 0 HD12 LEU A 23 -6.218 -1.028 -2.422 1.00 14.23 H new ATOM 0 HD13 LEU A 23 -6.933 -0.156 -1.045 1.00 14.23 H new ATOM 0 HD21 LEU A 23 -4.320 -0.283 0.683 1.00 22.22 H new ATOM 0 HD22 LEU A 23 -5.923 -0.636 1.370 1.00 22.22 H new ATOM 0 HD23 LEU A 23 -4.619 -1.840 1.491 1.00 22.22 H new ATOM 415 N GLU A 24 -9.511 -4.303 0.393 1.00 50.50 N ATOM 416 CA GLU A 24 -10.621 -5.192 -0.020 1.00 21.20 C ATOM 417 C GLU A 24 -11.994 -4.585 0.322 1.00 32.25 C ATOM 418 O GLU A 24 -12.987 -4.877 -0.354 1.00 65.40 O ATOM 419 CB GLU A 24 -10.467 -6.602 0.603 1.00 31.13 C ATOM 420 CG GLU A 24 -9.172 -7.334 0.161 1.00 61.14 C ATOM 421 CD GLU A 24 -9.112 -8.824 0.534 1.00 10.22 C ATOM 422 OE1 GLU A 24 -9.897 -9.279 1.397 1.00 20.32 O ATOM 423 OE2 GLU A 24 -8.276 -9.557 -0.051 1.00 50.34 O ATOM 0 H GLU A 24 -9.088 -4.557 1.286 1.00 50.50 H new ATOM 0 HA GLU A 24 -10.570 -5.293 -1.104 1.00 21.20 H new ATOM 0 HB2 GLU A 24 -10.472 -6.513 1.689 1.00 31.13 H new ATOM 0 HB3 GLU A 24 -11.330 -7.209 0.328 1.00 31.13 H new ATOM 0 HG2 GLU A 24 -9.070 -7.241 -0.920 1.00 61.14 H new ATOM 0 HG3 GLU A 24 -8.316 -6.828 0.607 1.00 61.14 H new ATOM 430 N GLU A 25 -12.044 -3.739 1.372 1.00 22.32 N ATOM 431 CA GLU A 25 -13.254 -2.945 1.701 1.00 24.34 C ATOM 432 C GLU A 25 -13.441 -1.792 0.692 1.00 35.32 C ATOM 433 O GLU A 25 -14.525 -1.217 0.602 1.00 62.23 O ATOM 434 CB GLU A 25 -13.185 -2.393 3.154 1.00 64.34 C ATOM 435 CG GLU A 25 -13.275 -3.456 4.272 1.00 21.33 C ATOM 436 CD GLU A 25 -14.564 -4.294 4.220 1.00 31.20 C ATOM 437 OE1 GLU A 25 -15.644 -3.752 4.535 1.00 43.32 O ATOM 438 OE2 GLU A 25 -14.507 -5.492 3.862 1.00 24.41 O ATOM 0 H GLU A 25 -11.262 -3.586 2.009 1.00 22.32 H new ATOM 0 HA GLU A 25 -14.117 -3.607 1.633 1.00 24.34 H new ATOM 0 HB2 GLU A 25 -12.251 -1.844 3.272 1.00 64.34 H new ATOM 0 HB3 GLU A 25 -13.995 -1.677 3.291 1.00 64.34 H new ATOM 0 HG2 GLU A 25 -12.415 -4.122 4.199 1.00 21.33 H new ATOM 0 HG3 GLU A 25 -13.213 -2.959 5.240 1.00 21.33 H new ATOM 445 N GLU A 26 -12.377 -1.473 -0.062 1.00 33.34 N ATOM 446 CA GLU A 26 -12.405 -0.440 -1.105 1.00 74.22 C ATOM 447 C GLU A 26 -12.949 -1.012 -2.430 1.00 34.20 C ATOM 448 O GLU A 26 -12.272 -1.807 -3.103 1.00 10.55 O ATOM 449 CB GLU A 26 -10.989 0.182 -1.288 1.00 52.12 C ATOM 450 CG GLU A 26 -10.511 1.029 -0.089 1.00 32.42 C ATOM 451 CD GLU A 26 -11.471 2.195 0.226 1.00 34.00 C ATOM 452 OE1 GLU A 26 -11.510 3.164 -0.555 1.00 25.42 O ATOM 453 OE2 GLU A 26 -12.202 2.144 1.240 1.00 33.14 O ATOM 0 H GLU A 26 -11.469 -1.928 0.037 1.00 33.34 H new ATOM 0 HA GLU A 26 -13.082 0.354 -0.792 1.00 74.22 H new ATOM 0 HB2 GLU A 26 -10.272 -0.620 -1.461 1.00 52.12 H new ATOM 0 HB3 GLU A 26 -10.991 0.806 -2.182 1.00 52.12 H new ATOM 0 HG2 GLU A 26 -10.418 0.391 0.790 1.00 32.42 H new ATOM 0 HG3 GLU A 26 -9.518 1.426 -0.301 1.00 32.42 H new ATOM 460 N ARG A 27 -14.189 -0.611 -2.783 1.00 51.51 N ATOM 461 CA ARG A 27 -14.855 -1.007 -4.043 1.00 72.14 C ATOM 462 C ARG A 27 -14.552 0.036 -5.150 1.00 12.21 C ATOM 463 O ARG A 27 -14.322 1.208 -4.822 1.00 10.21 O ATOM 464 CB ARG A 27 -16.399 -1.172 -3.860 1.00 61.40 C ATOM 465 CG ARG A 27 -16.853 -2.408 -3.039 1.00 3.22 C ATOM 466 CD ARG A 27 -16.502 -2.311 -1.548 1.00 53.15 C ATOM 467 NE ARG A 27 -17.002 -3.459 -0.773 1.00 55.20 N ATOM 468 CZ ARG A 27 -17.326 -3.431 0.535 1.00 43.31 C ATOM 469 NH1 ARG A 27 -17.205 -2.319 1.249 1.00 75.42 N ATOM 470 NH2 ARG A 27 -17.768 -4.531 1.123 1.00 11.51 N ATOM 0 H ARG A 27 -14.760 0.000 -2.199 1.00 51.51 H new ATOM 0 HA ARG A 27 -14.457 -1.978 -4.340 1.00 72.14 H new ATOM 0 HB2 ARG A 27 -16.786 -0.276 -3.376 1.00 61.40 H new ATOM 0 HB3 ARG A 27 -16.859 -1.226 -4.847 1.00 61.40 H new ATOM 0 HG2 ARG A 27 -17.931 -2.529 -3.144 1.00 3.22 H new ATOM 0 HG3 ARG A 27 -16.390 -3.302 -3.456 1.00 3.22 H new ATOM 0 HD2 ARG A 27 -15.420 -2.246 -1.437 1.00 53.15 H new ATOM 0 HD3 ARG A 27 -16.920 -1.391 -1.139 1.00 53.15 H new ATOM 0 HE ARG A 27 -17.112 -4.346 -1.265 1.00 55.20 H new ATOM 0 HH11 ARG A 27 -16.862 -1.465 0.809 1.00 75.42 H new ATOM 0 HH12 ARG A 27 -17.455 -2.318 2.238 1.00 75.42 H new ATOM 0 HH21 ARG A 27 -17.862 -5.394 0.587 1.00 11.51 H new ATOM 0 HH22 ARG A 27 -18.015 -4.516 2.113 1.00 11.51 H new ATOM 484 N PRO A 28 -14.539 -0.344 -6.491 1.00 33.33 N ATOM 485 CA PRO A 28 -14.774 -1.735 -7.003 1.00 33.34 C ATOM 486 C PRO A 28 -13.637 -2.707 -6.619 1.00 2.42 C ATOM 487 O PRO A 28 -13.893 -3.774 -6.053 1.00 20.43 O ATOM 488 CB PRO A 28 -14.867 -1.552 -8.552 1.00 74.33 C ATOM 489 CG PRO A 28 -15.027 -0.072 -8.767 1.00 22.02 C ATOM 490 CD PRO A 28 -14.305 0.589 -7.618 1.00 63.41 C ATOM 0 HA PRO A 28 -15.670 -2.181 -6.571 1.00 33.34 H new ATOM 0 HB2 PRO A 28 -13.971 -1.927 -9.047 1.00 74.33 H new ATOM 0 HB3 PRO A 28 -15.713 -2.103 -8.963 1.00 74.33 H new ATOM 0 HG2 PRO A 28 -14.602 0.233 -9.723 1.00 22.02 H new ATOM 0 HG3 PRO A 28 -16.080 0.210 -8.782 1.00 22.02 H new ATOM 0 HD2 PRO A 28 -13.242 0.710 -7.827 1.00 63.41 H new ATOM 0 HD3 PRO A 28 -14.704 1.582 -7.409 1.00 63.41 H new ATOM 498 N SER A 29 -12.396 -2.288 -6.901 1.00 51.55 N ATOM 499 CA SER A 29 -11.181 -3.052 -6.604 1.00 13.45 C ATOM 500 C SER A 29 -9.970 -2.161 -6.885 1.00 54.43 C ATOM 501 O SER A 29 -9.790 -1.691 -8.019 1.00 43.33 O ATOM 502 CB SER A 29 -11.099 -4.341 -7.465 1.00 75.11 C ATOM 503 OG SER A 29 -9.937 -5.108 -7.172 1.00 34.43 O ATOM 0 H SER A 29 -12.207 -1.392 -7.350 1.00 51.55 H new ATOM 0 HA SER A 29 -11.198 -3.356 -5.557 1.00 13.45 H new ATOM 0 HB2 SER A 29 -11.987 -4.949 -7.292 1.00 75.11 H new ATOM 0 HB3 SER A 29 -11.098 -4.071 -8.521 1.00 75.11 H new ATOM 0 HG SER A 29 -9.925 -5.911 -7.734 1.00 34.43 H new ATOM 509 N VAL A 30 -9.155 -1.902 -5.854 1.00 12.55 N ATOM 510 CA VAL A 30 -7.898 -1.160 -6.010 1.00 33.14 C ATOM 511 C VAL A 30 -6.799 -2.166 -6.377 1.00 34.35 C ATOM 512 O VAL A 30 -6.727 -3.248 -5.785 1.00 1.15 O ATOM 513 CB VAL A 30 -7.503 -0.360 -4.714 1.00 64.11 C ATOM 514 CG1 VAL A 30 -6.270 0.544 -4.966 1.00 71.31 C ATOM 515 CG2 VAL A 30 -8.696 0.459 -4.179 1.00 65.15 C ATOM 0 H VAL A 30 -9.346 -2.198 -4.897 1.00 12.55 H new ATOM 0 HA VAL A 30 -8.024 -0.417 -6.797 1.00 33.14 H new ATOM 0 HB VAL A 30 -7.229 -1.086 -3.948 1.00 64.11 H new ATOM 0 HG11 VAL A 30 -6.022 1.084 -4.052 1.00 71.31 H new ATOM 0 HG12 VAL A 30 -5.422 -0.072 -5.265 1.00 71.31 H new ATOM 0 HG13 VAL A 30 -6.498 1.257 -5.758 1.00 71.31 H new ATOM 0 HG21 VAL A 30 -8.393 1.001 -3.283 1.00 65.15 H new ATOM 0 HG22 VAL A 30 -9.021 1.169 -4.940 1.00 65.15 H new ATOM 0 HG23 VAL A 30 -9.519 -0.213 -3.935 1.00 65.15 H new ATOM 525 N GLN A 31 -5.981 -1.813 -7.375 1.00 43.21 N ATOM 526 CA GLN A 31 -5.011 -2.730 -7.983 1.00 44.51 C ATOM 527 C GLN A 31 -3.724 -2.774 -7.144 1.00 51.35 C ATOM 528 O GLN A 31 -2.975 -1.798 -7.110 1.00 61.15 O ATOM 529 CB GLN A 31 -4.738 -2.268 -9.444 1.00 4.51 C ATOM 530 CG GLN A 31 -6.011 -2.142 -10.317 1.00 30.24 C ATOM 531 CD GLN A 31 -6.807 -3.449 -10.427 1.00 4.25 C ATOM 532 OE1 GLN A 31 -6.580 -4.253 -11.328 1.00 1.02 O ATOM 533 NE2 GLN A 31 -7.750 -3.663 -9.516 1.00 61.14 N ATOM 0 H GLN A 31 -5.973 -0.879 -7.785 1.00 43.21 H new ATOM 0 HA GLN A 31 -5.410 -3.744 -8.008 1.00 44.51 H new ATOM 0 HB2 GLN A 31 -4.231 -1.304 -9.420 1.00 4.51 H new ATOM 0 HB3 GLN A 31 -4.056 -2.975 -9.916 1.00 4.51 H new ATOM 0 HG2 GLN A 31 -6.654 -1.368 -9.899 1.00 30.24 H new ATOM 0 HG3 GLN A 31 -5.726 -1.814 -11.317 1.00 30.24 H new ATOM 0 HE21 GLN A 31 -7.914 -2.976 -8.780 1.00 61.14 H new ATOM 0 HE22 GLN A 31 -8.310 -4.515 -9.552 1.00 61.14 H new ATOM 542 N TYR A 32 -3.485 -3.909 -6.454 1.00 14.13 N ATOM 543 CA TYR A 32 -2.306 -4.088 -5.589 1.00 61.10 C ATOM 544 C TYR A 32 -1.700 -5.497 -5.742 1.00 51.34 C ATOM 545 O TYR A 32 -2.384 -6.426 -6.179 1.00 74.11 O ATOM 546 CB TYR A 32 -2.672 -3.787 -4.110 1.00 33.52 C ATOM 547 CG TYR A 32 -3.650 -4.770 -3.423 1.00 60.42 C ATOM 548 CD1 TYR A 32 -3.183 -5.895 -2.729 1.00 22.14 C ATOM 549 CD2 TYR A 32 -5.031 -4.554 -3.438 1.00 3.05 C ATOM 550 CE1 TYR A 32 -4.045 -6.755 -2.091 1.00 50.23 C ATOM 551 CE2 TYR A 32 -5.897 -5.418 -2.790 1.00 71.35 C ATOM 552 CZ TYR A 32 -5.396 -6.514 -2.118 1.00 32.43 C ATOM 553 OH TYR A 32 -6.242 -7.371 -1.461 1.00 53.44 O ATOM 0 H TYR A 32 -4.102 -4.721 -6.482 1.00 14.13 H new ATOM 0 HA TYR A 32 -1.543 -3.377 -5.905 1.00 61.10 H new ATOM 0 HB2 TYR A 32 -1.750 -3.763 -3.529 1.00 33.52 H new ATOM 0 HB3 TYR A 32 -3.105 -2.788 -4.063 1.00 33.52 H new ATOM 0 HD1 TYR A 32 -2.121 -6.091 -2.695 1.00 22.14 H new ATOM 0 HD2 TYR A 32 -5.429 -3.699 -3.964 1.00 3.05 H new ATOM 0 HE1 TYR A 32 -3.660 -7.619 -1.569 1.00 50.23 H new ATOM 0 HE2 TYR A 32 -6.961 -5.235 -2.810 1.00 71.35 H new ATOM 0 HH TYR A 32 -5.720 -8.076 -1.025 1.00 53.44 H new ATOM 563 N THR A 33 -0.417 -5.642 -5.365 1.00 74.20 N ATOM 564 CA THR A 33 0.320 -6.916 -5.440 1.00 55.21 C ATOM 565 C THR A 33 1.371 -6.991 -4.323 1.00 31.22 C ATOM 566 O THR A 33 2.245 -6.124 -4.243 1.00 40.33 O ATOM 567 CB THR A 33 1.044 -7.064 -6.822 1.00 53.45 C ATOM 568 OG1 THR A 33 0.092 -6.974 -7.898 1.00 30.32 O ATOM 569 CG2 THR A 33 1.824 -8.390 -6.945 1.00 33.33 C ATOM 0 H THR A 33 0.142 -4.872 -4.997 1.00 74.20 H new ATOM 0 HA THR A 33 -0.403 -7.723 -5.324 1.00 55.21 H new ATOM 0 HB THR A 33 1.763 -6.247 -6.886 1.00 53.45 H new ATOM 0 HG1 THR A 33 0.558 -7.066 -8.755 1.00 30.32 H new ATOM 0 HG21 THR A 33 2.306 -8.440 -7.922 1.00 33.33 H new ATOM 0 HG22 THR A 33 2.582 -8.440 -6.164 1.00 33.33 H new ATOM 0 HG23 THR A 33 1.136 -9.228 -6.837 1.00 33.33 H new ATOM 577 N GLU A 34 1.285 -8.024 -3.471 1.00 64.31 N ATOM 578 CA GLU A 34 2.329 -8.341 -2.486 1.00 32.44 C ATOM 579 C GLU A 34 3.379 -9.259 -3.143 1.00 1.00 C ATOM 580 O GLU A 34 3.026 -10.213 -3.848 1.00 24.13 O ATOM 581 CB GLU A 34 1.726 -9.027 -1.227 1.00 0.33 C ATOM 582 CG GLU A 34 2.783 -9.420 -0.163 1.00 51.44 C ATOM 583 CD GLU A 34 2.216 -10.210 1.026 1.00 51.11 C ATOM 584 OE1 GLU A 34 1.753 -11.351 0.818 1.00 50.23 O ATOM 585 OE2 GLU A 34 2.256 -9.722 2.176 1.00 14.20 O ATOM 0 H GLU A 34 0.490 -8.662 -3.446 1.00 64.31 H new ATOM 0 HA GLU A 34 2.800 -7.413 -2.162 1.00 32.44 H new ATOM 0 HB2 GLU A 34 0.998 -8.355 -0.772 1.00 0.33 H new ATOM 0 HB3 GLU A 34 1.185 -9.921 -1.536 1.00 0.33 H new ATOM 0 HG2 GLU A 34 3.561 -10.015 -0.642 1.00 51.44 H new ATOM 0 HG3 GLU A 34 3.260 -8.514 0.211 1.00 51.44 H new ATOM 592 N THR A 35 4.658 -8.944 -2.929 1.00 63.20 N ATOM 593 CA THR A 35 5.789 -9.736 -3.425 1.00 53.32 C ATOM 594 C THR A 35 6.827 -9.864 -2.304 1.00 34.24 C ATOM 595 O THR A 35 7.330 -8.855 -1.807 1.00 74.20 O ATOM 596 CB THR A 35 6.418 -9.058 -4.690 1.00 32.55 C ATOM 597 OG1 THR A 35 5.439 -8.988 -5.745 1.00 53.32 O ATOM 598 CG2 THR A 35 7.674 -9.792 -5.196 1.00 52.32 C ATOM 0 H THR A 35 4.943 -8.120 -2.399 1.00 63.20 H new ATOM 0 HA THR A 35 5.446 -10.728 -3.717 1.00 53.32 H new ATOM 0 HB THR A 35 6.727 -8.055 -4.395 1.00 32.55 H new ATOM 0 HG1 THR A 35 5.837 -8.562 -6.533 1.00 53.32 H new ATOM 0 HG21 THR A 35 8.067 -9.278 -6.073 1.00 52.32 H new ATOM 0 HG22 THR A 35 8.431 -9.801 -4.412 1.00 52.32 H new ATOM 0 HG23 THR A 35 7.414 -10.817 -5.462 1.00 52.32 H new ATOM 606 N THR A 36 7.119 -11.104 -1.881 1.00 51.51 N ATOM 607 CA THR A 36 8.132 -11.372 -0.856 1.00 20.15 C ATOM 608 C THR A 36 9.521 -11.315 -1.518 1.00 53.14 C ATOM 609 O THR A 36 9.941 -12.262 -2.196 1.00 32.33 O ATOM 610 CB THR A 36 7.883 -12.769 -0.187 1.00 42.33 C ATOM 611 OG1 THR A 36 6.489 -12.916 0.147 1.00 63.41 O ATOM 612 CG2 THR A 36 8.710 -12.948 1.098 1.00 61.03 C ATOM 0 H THR A 36 6.661 -11.942 -2.239 1.00 51.51 H new ATOM 0 HA THR A 36 8.073 -10.621 -0.069 1.00 20.15 H new ATOM 0 HB THR A 36 8.189 -13.526 -0.909 1.00 42.33 H new ATOM 0 HG1 THR A 36 6.343 -13.791 0.562 1.00 63.41 H new ATOM 0 HG21 THR A 36 8.507 -13.929 1.528 1.00 61.03 H new ATOM 0 HG22 THR A 36 9.771 -12.868 0.862 1.00 61.03 H new ATOM 0 HG23 THR A 36 8.439 -12.174 1.816 1.00 61.03 H new ATOM 620 N ARG A 37 10.201 -10.172 -1.349 1.00 2.12 N ATOM 621 CA ARG A 37 11.488 -9.884 -1.996 1.00 33.42 C ATOM 622 C ARG A 37 12.478 -9.282 -0.980 1.00 12.34 C ATOM 623 O ARG A 37 12.109 -8.389 -0.207 1.00 61.34 O ATOM 624 CB ARG A 37 11.271 -8.904 -3.180 1.00 71.30 C ATOM 625 CG ARG A 37 12.543 -8.625 -3.997 1.00 10.15 C ATOM 626 CD ARG A 37 12.340 -7.594 -5.120 1.00 24.34 C ATOM 627 NE ARG A 37 13.597 -7.341 -5.855 1.00 53.01 N ATOM 628 CZ ARG A 37 14.088 -6.133 -6.194 1.00 74.51 C ATOM 629 NH1 ARG A 37 13.444 -5.010 -5.881 1.00 15.52 N ATOM 630 NH2 ARG A 37 15.248 -6.062 -6.837 1.00 31.32 N ATOM 0 H ARG A 37 9.869 -9.414 -0.753 1.00 2.12 H new ATOM 0 HA ARG A 37 11.909 -10.815 -2.376 1.00 33.42 H new ATOM 0 HB2 ARG A 37 10.508 -9.313 -3.842 1.00 71.30 H new ATOM 0 HB3 ARG A 37 10.885 -7.961 -2.793 1.00 71.30 H new ATOM 0 HG2 ARG A 37 13.325 -8.270 -3.326 1.00 10.15 H new ATOM 0 HG3 ARG A 37 12.897 -9.559 -4.433 1.00 10.15 H new ATOM 0 HD2 ARG A 37 11.578 -7.953 -5.812 1.00 24.34 H new ATOM 0 HD3 ARG A 37 11.971 -6.660 -4.696 1.00 24.34 H new ATOM 0 HE ARG A 37 14.144 -8.157 -6.131 1.00 53.01 H new ATOM 0 HH11 ARG A 37 12.560 -5.053 -5.374 1.00 15.52 H new ATOM 0 HH12 ARG A 37 13.835 -4.107 -6.148 1.00 15.52 H new ATOM 0 HH21 ARG A 37 15.756 -6.916 -7.068 1.00 31.32 H new ATOM 0 HH22 ARG A 37 15.631 -5.154 -7.099 1.00 31.32 H new ATOM 644 N ASN A 38 13.731 -9.791 -1.000 1.00 24.33 N ATOM 645 CA ASN A 38 14.851 -9.337 -0.114 1.00 62.11 C ATOM 646 C ASN A 38 14.577 -9.634 1.386 1.00 22.11 C ATOM 647 O ASN A 38 15.288 -9.121 2.266 1.00 44.10 O ATOM 648 CB ASN A 38 15.196 -7.813 -0.330 1.00 25.51 C ATOM 649 CG ASN A 38 15.925 -7.469 -1.642 1.00 13.31 C ATOM 650 OD1 ASN A 38 16.765 -6.570 -1.674 1.00 65.51 O ATOM 651 ND2 ASN A 38 15.591 -8.141 -2.728 1.00 2.33 N ATOM 0 H ASN A 38 14.006 -10.539 -1.637 1.00 24.33 H new ATOM 0 HA ASN A 38 15.723 -9.921 -0.408 1.00 62.11 H new ATOM 0 HB2 ASN A 38 14.269 -7.241 -0.291 1.00 25.51 H new ATOM 0 HB3 ASN A 38 15.812 -7.478 0.504 1.00 25.51 H new ATOM 0 HD21 ASN A 38 16.032 -7.920 -3.621 1.00 2.33 H new ATOM 0 HD22 ASN A 38 14.892 -8.882 -2.675 1.00 2.33 H new ATOM 658 N GLY A 39 13.599 -10.520 1.657 1.00 3.31 N ATOM 659 CA GLY A 39 13.198 -10.869 3.023 1.00 72.33 C ATOM 660 C GLY A 39 12.014 -10.047 3.526 1.00 64.32 C ATOM 661 O GLY A 39 11.455 -10.351 4.589 1.00 41.40 O ATOM 0 H GLY A 39 13.070 -11.009 0.935 1.00 3.31 H new ATOM 0 HA2 GLY A 39 12.940 -11.927 3.061 1.00 72.33 H new ATOM 0 HA3 GLY A 39 14.045 -10.723 3.693 1.00 72.33 H new ATOM 665 N ARG A 40 11.633 -9.000 2.765 1.00 72.31 N ATOM 666 CA ARG A 40 10.497 -8.114 3.107 1.00 14.20 C ATOM 667 C ARG A 40 9.352 -8.279 2.112 1.00 63.22 C ATOM 668 O ARG A 40 9.570 -8.547 0.934 1.00 43.44 O ATOM 669 CB ARG A 40 10.923 -6.615 3.178 1.00 20.41 C ATOM 670 CG ARG A 40 11.831 -6.271 4.374 1.00 50.04 C ATOM 671 CD ARG A 40 12.040 -4.764 4.568 1.00 41.23 C ATOM 672 NE ARG A 40 12.723 -4.135 3.429 1.00 41.11 N ATOM 673 CZ ARG A 40 13.106 -2.848 3.378 1.00 4.44 C ATOM 674 NH1 ARG A 40 12.880 -2.028 4.412 1.00 63.53 N ATOM 675 NH2 ARG A 40 13.726 -2.390 2.291 1.00 51.52 N ATOM 0 H ARG A 40 12.103 -8.744 1.897 1.00 72.31 H new ATOM 0 HA ARG A 40 10.154 -8.415 4.097 1.00 14.20 H new ATOM 0 HB2 ARG A 40 11.441 -6.352 2.256 1.00 20.41 H new ATOM 0 HB3 ARG A 40 10.027 -5.996 3.227 1.00 20.41 H new ATOM 0 HG2 ARG A 40 11.397 -6.690 5.282 1.00 50.04 H new ATOM 0 HG3 ARG A 40 12.800 -6.749 4.234 1.00 50.04 H new ATOM 0 HD2 ARG A 40 11.073 -4.283 4.717 1.00 41.23 H new ATOM 0 HD3 ARG A 40 12.623 -4.596 5.474 1.00 41.23 H new ATOM 0 HE ARG A 40 12.921 -4.719 2.616 1.00 41.11 H new ATOM 0 HH11 ARG A 40 12.413 -2.379 5.248 1.00 63.53 H new ATOM 0 HH12 ARG A 40 13.175 -1.053 4.363 1.00 63.53 H new ATOM 0 HH21 ARG A 40 13.907 -3.015 1.505 1.00 51.52 H new ATOM 0 HH22 ARG A 40 14.020 -1.414 2.244 1.00 51.52 H new ATOM 689 N ARG A 41 8.124 -8.113 2.607 1.00 65.34 N ATOM 690 CA ARG A 41 6.927 -8.032 1.775 1.00 23.05 C ATOM 691 C ARG A 41 6.847 -6.619 1.180 1.00 15.20 C ATOM 692 O ARG A 41 6.986 -5.638 1.917 1.00 72.30 O ATOM 693 CB ARG A 41 5.667 -8.320 2.641 1.00 64.15 C ATOM 694 CG ARG A 41 5.703 -9.655 3.401 1.00 14.43 C ATOM 695 CD ARG A 41 5.720 -10.865 2.466 1.00 5.22 C ATOM 696 NE ARG A 41 5.755 -12.140 3.208 1.00 10.12 N ATOM 697 CZ ARG A 41 4.698 -12.931 3.432 1.00 61.13 C ATOM 698 NH1 ARG A 41 3.487 -12.598 2.985 1.00 45.34 N ATOM 699 NH2 ARG A 41 4.862 -14.065 4.098 1.00 11.11 N ATOM 0 H ARG A 41 7.933 -8.031 3.606 1.00 65.34 H new ATOM 0 HA ARG A 41 6.973 -8.769 0.974 1.00 23.05 H new ATOM 0 HB2 ARG A 41 5.545 -7.511 3.361 1.00 64.15 H new ATOM 0 HB3 ARG A 41 4.789 -8.308 1.996 1.00 64.15 H new ATOM 0 HG2 ARG A 41 6.586 -9.682 4.039 1.00 14.43 H new ATOM 0 HG3 ARG A 41 4.834 -9.719 4.056 1.00 14.43 H new ATOM 0 HD2 ARG A 41 4.837 -10.842 1.828 1.00 5.22 H new ATOM 0 HD3 ARG A 41 6.589 -10.804 1.810 1.00 5.22 H new ATOM 0 HE ARG A 41 6.655 -12.443 3.580 1.00 10.12 H new ATOM 0 HH11 ARG A 41 3.356 -11.731 2.465 1.00 45.34 H new ATOM 0 HH12 ARG A 41 2.691 -13.211 3.163 1.00 45.34 H new ATOM 0 HH21 ARG A 41 5.788 -14.329 4.435 1.00 11.11 H new ATOM 0 HH22 ARG A 41 4.063 -14.674 4.273 1.00 11.11 H new ATOM 713 N GLN A 42 6.682 -6.506 -0.145 1.00 3.35 N ATOM 714 CA GLN A 42 6.365 -5.226 -0.792 1.00 0.15 C ATOM 715 C GLN A 42 4.917 -5.254 -1.288 1.00 0.00 C ATOM 716 O GLN A 42 4.551 -6.097 -2.111 1.00 71.41 O ATOM 717 CB GLN A 42 7.360 -4.866 -1.937 1.00 71.10 C ATOM 718 CG GLN A 42 7.463 -5.874 -3.090 1.00 5.04 C ATOM 719 CD GLN A 42 8.345 -5.386 -4.235 1.00 12.33 C ATOM 720 OE1 GLN A 42 9.553 -5.617 -4.240 1.00 12.35 O ATOM 721 NE2 GLN A 42 7.739 -4.700 -5.199 1.00 42.14 N ATOM 0 H GLN A 42 6.763 -7.290 -0.792 1.00 3.35 H new ATOM 0 HA GLN A 42 6.475 -4.435 -0.050 1.00 0.15 H new ATOM 0 HB2 GLN A 42 7.070 -3.901 -2.351 1.00 71.10 H new ATOM 0 HB3 GLN A 42 8.352 -4.741 -1.502 1.00 71.10 H new ATOM 0 HG2 GLN A 42 7.861 -6.814 -2.708 1.00 5.04 H new ATOM 0 HG3 GLN A 42 6.464 -6.083 -3.473 1.00 5.04 H new ATOM 0 HE21 GLN A 42 6.734 -4.533 -5.152 1.00 42.14 H new ATOM 0 HE22 GLN A 42 8.279 -4.340 -5.986 1.00 42.14 H new ATOM 730 N LEU A 43 4.095 -4.342 -0.761 1.00 74.34 N ATOM 731 CA LEU A 43 2.698 -4.200 -1.167 1.00 12.55 C ATOM 732 C LEU A 43 2.673 -3.028 -2.159 1.00 14.04 C ATOM 733 O LEU A 43 2.824 -1.869 -1.772 1.00 12.41 O ATOM 734 CB LEU A 43 1.800 -3.933 0.096 1.00 65.42 C ATOM 735 CG LEU A 43 0.385 -4.603 0.111 1.00 43.44 C ATOM 736 CD1 LEU A 43 -0.398 -4.230 1.392 1.00 21.00 C ATOM 737 CD2 LEU A 43 -0.418 -4.272 -1.153 1.00 75.50 C ATOM 0 H LEU A 43 4.382 -3.681 -0.039 1.00 74.34 H new ATOM 0 HA LEU A 43 2.301 -5.101 -1.636 1.00 12.55 H new ATOM 0 HB2 LEU A 43 2.345 -4.270 0.978 1.00 65.42 H new ATOM 0 HB3 LEU A 43 1.667 -2.856 0.197 1.00 65.42 H new ATOM 0 HG LEU A 43 0.539 -5.682 0.118 1.00 43.44 H new ATOM 0 HD11 LEU A 43 -1.376 -4.710 1.373 1.00 21.00 H new ATOM 0 HD12 LEU A 43 0.155 -4.568 2.268 1.00 21.00 H new ATOM 0 HD13 LEU A 43 -0.526 -3.148 1.439 1.00 21.00 H new ATOM 0 HD21 LEU A 43 -1.393 -4.757 -1.102 1.00 75.50 H new ATOM 0 HD22 LEU A 43 -0.552 -3.193 -1.226 1.00 75.50 H new ATOM 0 HD23 LEU A 43 0.120 -4.631 -2.030 1.00 75.50 H new ATOM 749 N THR A 44 2.502 -3.366 -3.435 1.00 24.03 N ATOM 750 CA THR A 44 2.604 -2.426 -4.540 1.00 43.42 C ATOM 751 C THR A 44 1.191 -2.049 -4.998 1.00 50.44 C ATOM 752 O THR A 44 0.523 -2.834 -5.669 1.00 64.02 O ATOM 753 CB THR A 44 3.414 -3.082 -5.709 1.00 62.51 C ATOM 754 OG1 THR A 44 4.708 -3.499 -5.229 1.00 54.52 O ATOM 755 CG2 THR A 44 3.585 -2.123 -6.892 1.00 31.04 C ATOM 0 H THR A 44 2.285 -4.318 -3.731 1.00 24.03 H new ATOM 0 HA THR A 44 3.127 -1.523 -4.225 1.00 43.42 H new ATOM 0 HB THR A 44 2.851 -3.947 -6.061 1.00 62.51 H new ATOM 0 HG1 THR A 44 5.404 -3.165 -5.833 1.00 54.52 H new ATOM 0 HG21 THR A 44 4.152 -2.616 -7.681 1.00 31.04 H new ATOM 0 HG22 THR A 44 2.605 -1.838 -7.274 1.00 31.04 H new ATOM 0 HG23 THR A 44 4.120 -1.232 -6.564 1.00 31.04 H new ATOM 763 N ILE A 45 0.751 -0.852 -4.611 1.00 73.52 N ATOM 764 CA ILE A 45 -0.608 -0.351 -4.869 1.00 21.34 C ATOM 765 C ILE A 45 -0.544 0.727 -5.960 1.00 3.42 C ATOM 766 O ILE A 45 0.327 1.590 -5.918 1.00 73.23 O ATOM 767 CB ILE A 45 -1.247 0.219 -3.546 1.00 75.43 C ATOM 768 CG1 ILE A 45 -1.235 -0.885 -2.432 1.00 72.34 C ATOM 769 CG2 ILE A 45 -2.676 0.759 -3.803 1.00 25.31 C ATOM 770 CD1 ILE A 45 -1.776 -0.472 -1.077 1.00 30.45 C ATOM 0 H ILE A 45 1.335 -0.189 -4.101 1.00 73.52 H new ATOM 0 HA ILE A 45 -1.241 -1.169 -5.213 1.00 21.34 H new ATOM 0 HB ILE A 45 -0.649 1.061 -3.199 1.00 75.43 H new ATOM 0 HG12 ILE A 45 -1.814 -1.737 -2.787 1.00 72.34 H new ATOM 0 HG13 ILE A 45 -0.209 -1.229 -2.301 1.00 72.34 H new ATOM 0 HG21 ILE A 45 -3.092 1.146 -2.873 1.00 25.31 H new ATOM 0 HG22 ILE A 45 -2.635 1.559 -4.542 1.00 25.31 H new ATOM 0 HG23 ILE A 45 -3.308 -0.047 -4.175 1.00 25.31 H new ATOM 0 HD11 ILE A 45 -1.717 -1.316 -0.389 1.00 30.45 H new ATOM 0 HD12 ILE A 45 -1.185 0.356 -0.686 1.00 30.45 H new ATOM 0 HD13 ILE A 45 -2.815 -0.159 -1.180 1.00 30.45 H new ATOM 782 N ARG A 46 -1.459 0.655 -6.941 1.00 64.42 N ATOM 783 CA ARG A 46 -1.499 1.561 -8.100 1.00 30.32 C ATOM 784 C ARG A 46 -2.927 2.040 -8.332 1.00 61.01 C ATOM 785 O ARG A 46 -3.884 1.254 -8.238 1.00 55.33 O ATOM 786 CB ARG A 46 -0.951 0.860 -9.372 1.00 24.51 C ATOM 787 CG ARG A 46 0.554 0.579 -9.321 1.00 10.03 C ATOM 788 CD ARG A 46 1.076 -0.095 -10.586 1.00 13.33 C ATOM 789 NE ARG A 46 0.485 -1.427 -10.781 1.00 5.20 N ATOM 790 CZ ARG A 46 1.096 -2.591 -10.512 1.00 21.11 C ATOM 791 NH1 ARG A 46 2.339 -2.622 -10.031 1.00 52.41 N ATOM 792 NH2 ARG A 46 0.453 -3.723 -10.738 1.00 32.02 N ATOM 0 H ARG A 46 -2.202 -0.044 -6.951 1.00 64.42 H new ATOM 0 HA ARG A 46 -0.863 2.421 -7.890 1.00 30.32 H new ATOM 0 HB2 ARG A 46 -1.483 -0.081 -9.515 1.00 24.51 H new ATOM 0 HB3 ARG A 46 -1.166 1.483 -10.240 1.00 24.51 H new ATOM 0 HG2 ARG A 46 1.088 1.517 -9.168 1.00 10.03 H new ATOM 0 HG3 ARG A 46 0.771 -0.055 -8.462 1.00 10.03 H new ATOM 0 HD2 ARG A 46 0.853 0.531 -11.450 1.00 13.33 H new ATOM 0 HD3 ARG A 46 2.161 -0.184 -10.529 1.00 13.33 H new ATOM 0 HE ARG A 46 -0.465 -1.470 -11.150 1.00 5.20 H new ATOM 0 HH11 ARG A 46 2.842 -1.751 -9.861 1.00 52.41 H new ATOM 0 HH12 ARG A 46 2.787 -3.517 -9.833 1.00 52.41 H new ATOM 0 HH21 ARG A 46 -0.496 -3.705 -11.112 1.00 32.02 H new ATOM 0 HH22 ARG A 46 0.905 -4.615 -10.538 1.00 32.02 H new ATOM 806 N SER A 47 -3.051 3.337 -8.623 1.00 61.10 N ATOM 807 CA SER A 47 -4.319 3.993 -8.912 1.00 1.03 C ATOM 808 C SER A 47 -4.076 5.118 -9.940 1.00 21.13 C ATOM 809 O SER A 47 -3.048 5.813 -9.882 1.00 75.21 O ATOM 810 CB SER A 47 -4.927 4.558 -7.607 1.00 72.11 C ATOM 811 OG SER A 47 -5.131 3.550 -6.616 1.00 30.32 O ATOM 0 H SER A 47 -2.252 3.970 -8.664 1.00 61.10 H new ATOM 0 HA SER A 47 -5.026 3.276 -9.331 1.00 1.03 H new ATOM 0 HB2 SER A 47 -4.268 5.328 -7.207 1.00 72.11 H new ATOM 0 HB3 SER A 47 -5.879 5.039 -7.832 1.00 72.11 H new ATOM 0 HG SER A 47 -5.045 3.946 -5.724 1.00 30.32 H new ATOM 817 N ASN A 48 -5.033 5.281 -10.871 1.00 22.52 N ATOM 818 CA ASN A 48 -4.968 6.293 -11.956 1.00 23.54 C ATOM 819 C ASN A 48 -5.712 7.578 -11.556 1.00 53.52 C ATOM 820 O ASN A 48 -5.971 8.445 -12.398 1.00 64.32 O ATOM 821 CB ASN A 48 -5.566 5.707 -13.270 1.00 2.23 C ATOM 822 CG ASN A 48 -4.812 4.489 -13.807 1.00 52.53 C ATOM 823 OD1 ASN A 48 -3.613 4.339 -13.600 1.00 72.31 O ATOM 824 ND2 ASN A 48 -5.512 3.622 -14.519 1.00 72.02 N ATOM 0 H ASN A 48 -5.881 4.714 -10.897 1.00 22.52 H new ATOM 0 HA ASN A 48 -3.922 6.548 -12.125 1.00 23.54 H new ATOM 0 HB2 ASN A 48 -6.605 5.429 -13.092 1.00 2.23 H new ATOM 0 HB3 ASN A 48 -5.570 6.485 -14.034 1.00 2.23 H new ATOM 0 HD21 ASN A 48 -5.055 2.800 -14.914 1.00 72.02 H new ATOM 0 HD22 ASN A 48 -6.509 3.775 -14.673 1.00 72.02 H new ATOM 831 N ASP A 49 -6.008 7.715 -10.255 1.00 61.00 N ATOM 832 CA ASP A 49 -6.740 8.865 -9.703 1.00 60.03 C ATOM 833 C ASP A 49 -6.052 9.357 -8.423 1.00 52.52 C ATOM 834 O ASP A 49 -5.590 8.545 -7.611 1.00 65.35 O ATOM 835 CB ASP A 49 -8.217 8.485 -9.433 1.00 1.13 C ATOM 836 CG ASP A 49 -9.017 9.601 -8.743 1.00 0.34 C ATOM 837 OD1 ASP A 49 -9.241 10.665 -9.353 1.00 34.23 O ATOM 838 OD2 ASP A 49 -9.409 9.437 -7.580 1.00 25.14 O ATOM 0 H ASP A 49 -5.744 7.026 -9.551 1.00 61.00 H new ATOM 0 HA ASP A 49 -6.731 9.677 -10.430 1.00 60.03 H new ATOM 0 HB2 ASP A 49 -8.699 8.234 -10.378 1.00 1.13 H new ATOM 0 HB3 ASP A 49 -8.247 7.590 -8.812 1.00 1.13 H new ATOM 843 N LYS A 50 -6.014 10.695 -8.249 1.00 52.34 N ATOM 844 CA LYS A 50 -5.344 11.358 -7.114 1.00 33.24 C ATOM 845 C LYS A 50 -6.061 11.101 -5.771 1.00 43.02 C ATOM 846 O LYS A 50 -5.402 10.903 -4.750 1.00 1.14 O ATOM 847 CB LYS A 50 -5.208 12.891 -7.385 1.00 23.34 C ATOM 848 CG LYS A 50 -4.165 13.255 -8.472 1.00 24.11 C ATOM 849 CD LYS A 50 -2.719 12.921 -8.057 1.00 31.54 C ATOM 850 CE LYS A 50 -2.202 13.808 -6.916 1.00 74.41 C ATOM 851 NZ LYS A 50 -0.895 13.323 -6.388 1.00 23.43 N ATOM 0 H LYS A 50 -6.451 11.349 -8.898 1.00 52.34 H new ATOM 0 HA LYS A 50 -4.349 10.921 -7.027 1.00 33.24 H new ATOM 0 HB2 LYS A 50 -6.180 13.283 -7.685 1.00 23.34 H new ATOM 0 HB3 LYS A 50 -4.936 13.390 -6.455 1.00 23.34 H new ATOM 0 HG2 LYS A 50 -4.406 12.721 -9.391 1.00 24.11 H new ATOM 0 HG3 LYS A 50 -4.236 14.320 -8.694 1.00 24.11 H new ATOM 0 HD2 LYS A 50 -2.667 11.876 -7.750 1.00 31.54 H new ATOM 0 HD3 LYS A 50 -2.064 13.032 -8.921 1.00 31.54 H new ATOM 0 HE2 LYS A 50 -2.093 14.832 -7.273 1.00 74.41 H new ATOM 0 HE3 LYS A 50 -2.935 13.828 -6.110 1.00 74.41 H new ATOM 0 HZ1 LYS A 50 -0.578 13.947 -5.619 1.00 23.43 H new ATOM 0 HZ2 LYS A 50 -1.005 12.355 -6.025 1.00 23.43 H new ATOM 0 HZ3 LYS A 50 -0.189 13.328 -7.151 1.00 23.43 H new ATOM 865 N ASN A 51 -7.404 11.080 -5.790 1.00 23.13 N ATOM 866 CA ASN A 51 -8.229 10.891 -4.566 1.00 70.22 C ATOM 867 C ASN A 51 -8.116 9.433 -4.087 1.00 62.33 C ATOM 868 O ASN A 51 -7.989 9.157 -2.882 1.00 33.34 O ATOM 869 CB ASN A 51 -9.722 11.245 -4.842 1.00 11.14 C ATOM 870 CG ASN A 51 -9.902 12.588 -5.556 1.00 33.33 C ATOM 871 OD1 ASN A 51 -10.034 13.639 -4.925 1.00 35.03 O ATOM 872 ND2 ASN A 51 -9.919 12.563 -6.885 1.00 24.51 N ATOM 0 H ASN A 51 -7.953 11.192 -6.642 1.00 23.13 H new ATOM 0 HA ASN A 51 -7.857 11.560 -3.790 1.00 70.22 H new ATOM 0 HB2 ASN A 51 -10.170 10.456 -5.447 1.00 11.14 H new ATOM 0 HB3 ASN A 51 -10.264 11.268 -3.897 1.00 11.14 H new ATOM 0 HD21 ASN A 51 -10.044 13.429 -7.410 1.00 24.51 H new ATOM 0 HD22 ASN A 51 -9.807 11.678 -7.380 1.00 24.51 H new ATOM 879 N GLU A 52 -8.127 8.519 -5.070 1.00 34.13 N ATOM 880 CA GLU A 52 -8.042 7.074 -4.853 1.00 41.42 C ATOM 881 C GLU A 52 -6.691 6.703 -4.209 1.00 52.24 C ATOM 882 O GLU A 52 -6.660 6.154 -3.102 1.00 1.34 O ATOM 883 CB GLU A 52 -8.228 6.341 -6.213 1.00 43.25 C ATOM 884 CG GLU A 52 -8.217 4.798 -6.142 1.00 42.31 C ATOM 885 CD GLU A 52 -9.381 4.205 -5.339 1.00 72.14 C ATOM 886 OE1 GLU A 52 -10.497 4.093 -5.895 1.00 61.00 O ATOM 887 OE2 GLU A 52 -9.195 3.857 -4.156 1.00 64.43 O ATOM 0 H GLU A 52 -8.197 8.773 -6.055 1.00 34.13 H new ATOM 0 HA GLU A 52 -8.832 6.762 -4.169 1.00 41.42 H new ATOM 0 HB2 GLU A 52 -9.173 6.661 -6.652 1.00 43.25 H new ATOM 0 HB3 GLU A 52 -7.437 6.662 -6.890 1.00 43.25 H new ATOM 0 HG2 GLU A 52 -8.246 4.397 -7.155 1.00 42.31 H new ATOM 0 HG3 GLU A 52 -7.277 4.471 -5.697 1.00 42.31 H new ATOM 894 N VAL A 53 -5.585 7.067 -4.890 1.00 45.32 N ATOM 895 CA VAL A 53 -4.214 6.717 -4.459 1.00 45.41 C ATOM 896 C VAL A 53 -3.867 7.361 -3.094 1.00 61.43 C ATOM 897 O VAL A 53 -3.185 6.757 -2.262 1.00 23.14 O ATOM 898 CB VAL A 53 -3.145 7.103 -5.565 1.00 4.44 C ATOM 899 CG1 VAL A 53 -2.892 8.625 -5.663 1.00 65.32 C ATOM 900 CG2 VAL A 53 -1.829 6.322 -5.375 1.00 32.02 C ATOM 0 H VAL A 53 -5.616 7.611 -5.752 1.00 45.32 H new ATOM 0 HA VAL A 53 -4.179 5.635 -4.329 1.00 45.41 H new ATOM 0 HB VAL A 53 -3.578 6.807 -6.521 1.00 4.44 H new ATOM 0 HG11 VAL A 53 -2.151 8.822 -6.438 1.00 65.32 H new ATOM 0 HG12 VAL A 53 -3.823 9.133 -5.914 1.00 65.32 H new ATOM 0 HG13 VAL A 53 -2.523 8.995 -4.706 1.00 65.32 H new ATOM 0 HG21 VAL A 53 -1.119 6.611 -6.150 1.00 32.02 H new ATOM 0 HG22 VAL A 53 -1.409 6.549 -4.395 1.00 32.02 H new ATOM 0 HG23 VAL A 53 -2.027 5.252 -5.445 1.00 32.02 H new ATOM 910 N ASP A 54 -4.413 8.571 -2.843 1.00 3.30 N ATOM 911 CA ASP A 54 -4.160 9.322 -1.600 1.00 21.50 C ATOM 912 C ASP A 54 -4.804 8.635 -0.392 1.00 64.35 C ATOM 913 O ASP A 54 -4.227 8.628 0.694 1.00 64.34 O ATOM 914 CB ASP A 54 -4.676 10.768 -1.719 1.00 53.32 C ATOM 915 CG ASP A 54 -4.388 11.607 -0.465 1.00 51.02 C ATOM 916 OD1 ASP A 54 -3.199 11.893 -0.200 1.00 34.40 O ATOM 917 OD2 ASP A 54 -5.336 11.985 0.262 1.00 3.12 O ATOM 0 H ASP A 54 -5.037 9.049 -3.493 1.00 3.30 H new ATOM 0 HA ASP A 54 -3.081 9.344 -1.447 1.00 21.50 H new ATOM 0 HB2 ASP A 54 -4.213 11.244 -2.583 1.00 53.32 H new ATOM 0 HB3 ASP A 54 -5.751 10.752 -1.901 1.00 53.32 H new ATOM 922 N ARG A 55 -5.992 8.035 -0.618 1.00 13.33 N ATOM 923 CA ARG A 55 -6.758 7.322 0.427 1.00 21.20 C ATOM 924 C ARG A 55 -5.938 6.145 1.015 1.00 71.02 C ATOM 925 O ARG A 55 -6.115 5.763 2.182 1.00 3.53 O ATOM 926 CB ARG A 55 -8.104 6.814 -0.158 1.00 34.13 C ATOM 927 CG ARG A 55 -9.096 6.229 0.878 1.00 12.35 C ATOM 928 CD ARG A 55 -9.552 7.264 1.912 1.00 42.22 C ATOM 929 NE ARG A 55 -10.205 8.418 1.279 1.00 52.45 N ATOM 930 CZ ARG A 55 -10.139 9.688 1.717 1.00 41.30 C ATOM 931 NH1 ARG A 55 -9.457 9.999 2.804 1.00 3.25 N ATOM 932 NH2 ARG A 55 -10.767 10.648 1.057 1.00 3.34 N ATOM 0 H ARG A 55 -6.448 8.031 -1.531 1.00 13.33 H new ATOM 0 HA ARG A 55 -6.966 8.019 1.239 1.00 21.20 H new ATOM 0 HB2 ARG A 55 -8.591 7.640 -0.677 1.00 34.13 H new ATOM 0 HB3 ARG A 55 -7.891 6.049 -0.905 1.00 34.13 H new ATOM 0 HG2 ARG A 55 -9.968 5.834 0.357 1.00 12.35 H new ATOM 0 HG3 ARG A 55 -8.625 5.391 1.392 1.00 12.35 H new ATOM 0 HD2 ARG A 55 -10.242 6.796 2.614 1.00 42.22 H new ATOM 0 HD3 ARG A 55 -8.692 7.604 2.489 1.00 42.22 H new ATOM 0 HE ARG A 55 -10.754 8.241 0.438 1.00 52.45 H new ATOM 0 HH11 ARG A 55 -8.969 9.271 3.326 1.00 3.25 H new ATOM 0 HH12 ARG A 55 -9.418 10.967 3.122 1.00 3.25 H new ATOM 0 HH21 ARG A 55 -11.301 10.424 0.217 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.717 11.611 1.388 1.00 3.34 H new ATOM 946 N ILE A 56 -5.040 5.587 0.184 1.00 25.12 N ATOM 947 CA ILE A 56 -4.102 4.526 0.583 1.00 52.04 C ATOM 948 C ILE A 56 -2.910 5.135 1.342 1.00 21.52 C ATOM 949 O ILE A 56 -2.468 4.586 2.364 1.00 75.41 O ATOM 950 CB ILE A 56 -3.602 3.715 -0.685 1.00 32.43 C ATOM 951 CG1 ILE A 56 -4.706 2.732 -1.218 1.00 25.41 C ATOM 952 CG2 ILE A 56 -2.273 2.954 -0.420 1.00 31.11 C ATOM 953 CD1 ILE A 56 -5.940 3.368 -1.850 1.00 3.54 C ATOM 0 H ILE A 56 -4.945 5.864 -0.793 1.00 25.12 H new ATOM 0 HA ILE A 56 -4.620 3.832 1.245 1.00 52.04 H new ATOM 0 HB ILE A 56 -3.402 4.456 -1.459 1.00 32.43 H new ATOM 0 HG12 ILE A 56 -4.248 2.072 -1.955 1.00 25.41 H new ATOM 0 HG13 ILE A 56 -5.033 2.105 -0.388 1.00 25.41 H new ATOM 0 HG21 ILE A 56 -1.976 2.416 -1.320 1.00 31.11 H new ATOM 0 HG22 ILE A 56 -1.494 3.666 -0.149 1.00 31.11 H new ATOM 0 HG23 ILE A 56 -2.416 2.245 0.396 1.00 31.11 H new ATOM 0 HD11 ILE A 56 -6.625 2.586 -2.177 1.00 3.54 H new ATOM 0 HD12 ILE A 56 -6.438 4.003 -1.117 1.00 3.54 H new ATOM 0 HD13 ILE A 56 -5.640 3.970 -2.708 1.00 3.54 H new ATOM 965 N LEU A 57 -2.403 6.277 0.838 1.00 10.32 N ATOM 966 CA LEU A 57 -1.164 6.882 1.351 1.00 12.11 C ATOM 967 C LEU A 57 -1.332 7.352 2.803 1.00 55.23 C ATOM 968 O LEU A 57 -0.514 7.014 3.664 1.00 74.32 O ATOM 969 CB LEU A 57 -0.697 8.045 0.442 1.00 70.23 C ATOM 970 CG LEU A 57 0.765 8.535 0.684 1.00 34.31 C ATOM 971 CD1 LEU A 57 1.784 7.382 0.611 1.00 2.30 C ATOM 972 CD2 LEU A 57 1.137 9.670 -0.290 1.00 45.32 C ATOM 0 H LEU A 57 -2.835 6.798 0.075 1.00 10.32 H new ATOM 0 HA LEU A 57 -0.391 6.114 1.339 1.00 12.11 H new ATOM 0 HB2 LEU A 57 -0.790 7.732 -0.598 1.00 70.23 H new ATOM 0 HB3 LEU A 57 -1.373 8.888 0.583 1.00 70.23 H new ATOM 0 HG LEU A 57 0.806 8.931 1.699 1.00 34.31 H new ATOM 0 HD11 LEU A 57 2.787 7.771 0.786 1.00 2.30 H new ATOM 0 HD12 LEU A 57 1.546 6.638 1.371 1.00 2.30 H new ATOM 0 HD13 LEU A 57 1.741 6.920 -0.375 1.00 2.30 H new ATOM 0 HD21 LEU A 57 2.161 9.992 -0.099 1.00 45.32 H new ATOM 0 HD22 LEU A 57 1.055 9.311 -1.316 1.00 45.32 H new ATOM 0 HD23 LEU A 57 0.459 10.511 -0.145 1.00 45.32 H new ATOM 984 N GLU A 58 -2.413 8.100 3.068 1.00 65.05 N ATOM 985 CA GLU A 58 -2.777 8.520 4.438 1.00 62.22 C ATOM 986 C GLU A 58 -2.936 7.300 5.369 1.00 55.15 C ATOM 987 O GLU A 58 -2.480 7.323 6.512 1.00 12.43 O ATOM 988 CB GLU A 58 -4.096 9.344 4.433 1.00 33.55 C ATOM 989 CG GLU A 58 -5.283 8.654 3.715 1.00 75.04 C ATOM 990 CD GLU A 58 -6.668 9.181 4.105 1.00 24.21 C ATOM 991 OE1 GLU A 58 -6.909 10.389 4.011 1.00 13.14 O ATOM 992 OE2 GLU A 58 -7.527 8.379 4.522 1.00 33.31 O ATOM 0 H GLU A 58 -3.057 8.431 2.349 1.00 65.05 H new ATOM 0 HA GLU A 58 -1.967 9.146 4.813 1.00 62.22 H new ATOM 0 HB2 GLU A 58 -4.383 9.552 5.464 1.00 33.55 H new ATOM 0 HB3 GLU A 58 -3.907 10.305 3.954 1.00 33.55 H new ATOM 0 HG2 GLU A 58 -5.156 8.771 2.639 1.00 75.04 H new ATOM 0 HG3 GLU A 58 -5.244 7.585 3.926 1.00 75.04 H new ATOM 999 N GLU A 59 -3.537 6.225 4.830 1.00 22.44 N ATOM 1000 CA GLU A 59 -3.889 5.027 5.597 1.00 51.33 C ATOM 1001 C GLU A 59 -2.629 4.348 6.168 1.00 30.12 C ATOM 1002 O GLU A 59 -2.537 4.122 7.378 1.00 54.52 O ATOM 1003 CB GLU A 59 -4.694 4.047 4.702 1.00 40.53 C ATOM 1004 CG GLU A 59 -5.279 2.821 5.431 1.00 63.11 C ATOM 1005 CD GLU A 59 -6.305 3.191 6.519 1.00 44.44 C ATOM 1006 OE1 GLU A 59 -7.455 3.530 6.171 1.00 53.12 O ATOM 1007 OE2 GLU A 59 -5.972 3.146 7.721 1.00 72.34 O ATOM 0 H GLU A 59 -3.792 6.167 3.844 1.00 22.44 H new ATOM 0 HA GLU A 59 -4.513 5.321 6.441 1.00 51.33 H new ATOM 0 HB2 GLU A 59 -5.512 4.596 4.234 1.00 40.53 H new ATOM 0 HB3 GLU A 59 -4.045 3.697 3.899 1.00 40.53 H new ATOM 0 HG2 GLU A 59 -5.754 2.166 4.701 1.00 63.11 H new ATOM 0 HG3 GLU A 59 -4.466 2.255 5.886 1.00 63.11 H new ATOM 1014 N VAL A 60 -1.648 4.075 5.289 1.00 22.40 N ATOM 1015 CA VAL A 60 -0.394 3.400 5.672 1.00 43.43 C ATOM 1016 C VAL A 60 0.475 4.285 6.599 1.00 43.42 C ATOM 1017 O VAL A 60 1.114 3.779 7.526 1.00 11.11 O ATOM 1018 CB VAL A 60 0.427 2.922 4.409 1.00 22.31 C ATOM 1019 CG1 VAL A 60 0.802 4.079 3.461 1.00 3.10 C ATOM 1020 CG2 VAL A 60 1.680 2.117 4.827 1.00 61.24 C ATOM 0 H VAL A 60 -1.701 4.314 4.299 1.00 22.40 H new ATOM 0 HA VAL A 60 -0.676 2.510 6.235 1.00 43.43 H new ATOM 0 HB VAL A 60 -0.234 2.263 3.846 1.00 22.31 H new ATOM 0 HG11 VAL A 60 1.364 3.687 2.613 1.00 3.10 H new ATOM 0 HG12 VAL A 60 -0.106 4.564 3.101 1.00 3.10 H new ATOM 0 HG13 VAL A 60 1.413 4.805 3.997 1.00 3.10 H new ATOM 0 HG21 VAL A 60 2.224 1.802 3.936 1.00 61.24 H new ATOM 0 HG22 VAL A 60 2.325 2.742 5.444 1.00 61.24 H new ATOM 0 HG23 VAL A 60 1.375 1.238 5.396 1.00 61.24 H new ATOM 1030 N ARG A 61 0.467 5.608 6.365 1.00 35.30 N ATOM 1031 CA ARG A 61 1.256 6.565 7.171 1.00 50.43 C ATOM 1032 C ARG A 61 0.746 6.631 8.623 1.00 62.33 C ATOM 1033 O ARG A 61 1.534 6.552 9.573 1.00 40.40 O ATOM 1034 CB ARG A 61 1.250 7.969 6.512 1.00 12.50 C ATOM 1035 CG ARG A 61 1.999 8.039 5.158 1.00 11.12 C ATOM 1036 CD ARG A 61 1.920 9.432 4.501 1.00 54.21 C ATOM 1037 NE ARG A 61 2.618 10.462 5.290 1.00 22.03 N ATOM 1038 CZ ARG A 61 2.609 11.784 5.032 1.00 20.33 C ATOM 1039 NH1 ARG A 61 1.930 12.274 3.993 1.00 11.22 N ATOM 1040 NH2 ARG A 61 3.286 12.611 5.827 1.00 70.41 N ATOM 0 H ARG A 61 -0.079 6.044 5.622 1.00 35.30 H new ATOM 0 HA ARG A 61 2.285 6.208 7.203 1.00 50.43 H new ATOM 0 HB2 ARG A 61 0.217 8.282 6.359 1.00 12.50 H new ATOM 0 HB3 ARG A 61 1.701 8.683 7.201 1.00 12.50 H new ATOM 0 HG2 ARG A 61 3.045 7.774 5.313 1.00 11.12 H new ATOM 0 HG3 ARG A 61 1.580 7.297 4.478 1.00 11.12 H new ATOM 0 HD2 ARG A 61 2.355 9.386 3.502 1.00 54.21 H new ATOM 0 HD3 ARG A 61 0.875 9.716 4.381 1.00 54.21 H new ATOM 0 HE ARG A 61 3.153 10.148 6.100 1.00 22.03 H new ATOM 0 HH11 ARG A 61 1.409 11.645 3.382 1.00 11.22 H new ATOM 0 HH12 ARG A 61 1.932 13.277 3.810 1.00 11.22 H new ATOM 0 HH21 ARG A 61 3.805 12.242 6.623 1.00 70.41 H new ATOM 0 HH22 ARG A 61 3.285 13.614 5.639 1.00 70.41 H new ATOM 1054 N ARG A 62 -0.579 6.735 8.776 1.00 12.12 N ATOM 1055 CA ARG A 62 -1.228 6.911 10.085 1.00 43.53 C ATOM 1056 C ARG A 62 -1.261 5.587 10.876 1.00 61.02 C ATOM 1057 O ARG A 62 -1.012 5.571 12.087 1.00 42.41 O ATOM 1058 CB ARG A 62 -2.663 7.471 9.891 1.00 42.41 C ATOM 1059 CG ARG A 62 -2.723 8.876 9.239 1.00 42.24 C ATOM 1060 CD ARG A 62 -4.168 9.361 9.011 1.00 33.02 C ATOM 1061 NE ARG A 62 -4.910 9.486 10.279 1.00 14.12 N ATOM 1062 CZ ARG A 62 -6.215 9.216 10.461 1.00 42.30 C ATOM 1063 NH1 ARG A 62 -6.981 8.793 9.455 1.00 74.25 N ATOM 1064 NH2 ARG A 62 -6.746 9.370 11.669 1.00 72.11 N ATOM 0 H ARG A 62 -1.235 6.700 7.996 1.00 12.12 H new ATOM 0 HA ARG A 62 -0.644 7.625 10.666 1.00 43.53 H new ATOM 0 HB2 ARG A 62 -3.231 6.774 9.275 1.00 42.41 H new ATOM 0 HB3 ARG A 62 -3.157 7.514 10.862 1.00 42.41 H new ATOM 0 HG2 ARG A 62 -2.200 9.590 9.875 1.00 42.24 H new ATOM 0 HG3 ARG A 62 -2.196 8.853 8.285 1.00 42.24 H new ATOM 0 HD2 ARG A 62 -4.152 10.325 8.503 1.00 33.02 H new ATOM 0 HD3 ARG A 62 -4.686 8.663 8.354 1.00 33.02 H new ATOM 0 HE ARG A 62 -4.385 9.807 11.093 1.00 14.12 H new ATOM 0 HH11 ARG A 62 -6.579 8.668 8.526 1.00 74.25 H new ATOM 0 HH12 ARG A 62 -7.969 8.594 9.615 1.00 74.25 H new ATOM 0 HH21 ARG A 62 -6.165 9.689 12.444 1.00 72.11 H new ATOM 0 HH22 ARG A 62 -7.734 9.169 11.821 1.00 72.11 H new ATOM 1078 N LYS A 63 -1.558 4.480 10.177 1.00 62.14 N ATOM 1079 CA LYS A 63 -1.759 3.163 10.810 1.00 75.51 C ATOM 1080 C LYS A 63 -0.421 2.498 11.198 1.00 24.21 C ATOM 1081 O LYS A 63 -0.281 1.968 12.312 1.00 74.21 O ATOM 1082 CB LYS A 63 -2.561 2.245 9.844 1.00 21.40 C ATOM 1083 CG LYS A 63 -2.706 0.776 10.304 1.00 70.50 C ATOM 1084 CD LYS A 63 -3.651 -0.050 9.407 1.00 13.42 C ATOM 1085 CE LYS A 63 -5.112 0.405 9.520 1.00 34.14 C ATOM 1086 NZ LYS A 63 -5.619 0.308 10.920 1.00 32.44 N ATOM 0 H LYS A 63 -1.665 4.470 9.163 1.00 62.14 H new ATOM 0 HA LYS A 63 -2.321 3.311 11.732 1.00 75.51 H new ATOM 0 HB2 LYS A 63 -3.557 2.667 9.710 1.00 21.40 H new ATOM 0 HB3 LYS A 63 -2.075 2.258 8.868 1.00 21.40 H new ATOM 0 HG2 LYS A 63 -1.722 0.306 10.314 1.00 70.50 H new ATOM 0 HG3 LYS A 63 -3.079 0.758 11.328 1.00 70.50 H new ATOM 0 HD2 LYS A 63 -3.327 0.033 8.370 1.00 13.42 H new ATOM 0 HD3 LYS A 63 -3.579 -1.103 9.681 1.00 13.42 H new ATOM 0 HE2 LYS A 63 -5.199 1.435 9.173 1.00 34.14 H new ATOM 0 HE3 LYS A 63 -5.734 -0.206 8.866 1.00 34.14 H new ATOM 0 HZ1 LYS A 63 -6.648 0.460 10.928 1.00 32.44 H new ATOM 0 HZ2 LYS A 63 -5.405 -0.635 11.302 1.00 32.44 H new ATOM 0 HZ3 LYS A 63 -5.158 1.032 11.507 1.00 32.44 H new ATOM 1100 N VAL A 64 0.570 2.551 10.289 1.00 75.21 N ATOM 1101 CA VAL A 64 1.846 1.821 10.452 1.00 41.43 C ATOM 1102 C VAL A 64 3.060 2.721 10.088 1.00 2.22 C ATOM 1103 O VAL A 64 3.620 2.614 8.992 1.00 73.13 O ATOM 1104 CB VAL A 64 1.854 0.452 9.640 1.00 41.44 C ATOM 1105 CG1 VAL A 64 0.978 -0.610 10.334 1.00 64.14 C ATOM 1106 CG2 VAL A 64 1.393 0.637 8.175 1.00 54.43 C ATOM 0 H VAL A 64 0.513 3.095 9.428 1.00 75.21 H new ATOM 0 HA VAL A 64 1.941 1.559 11.506 1.00 41.43 H new ATOM 0 HB VAL A 64 2.888 0.107 9.624 1.00 41.44 H new ATOM 0 HG11 VAL A 64 1.002 -1.535 9.757 1.00 64.14 H new ATOM 0 HG12 VAL A 64 1.360 -0.798 11.337 1.00 64.14 H new ATOM 0 HG13 VAL A 64 -0.049 -0.249 10.399 1.00 64.14 H new ATOM 0 HG21 VAL A 64 1.415 -0.325 7.662 1.00 54.43 H new ATOM 0 HG22 VAL A 64 0.377 1.032 8.160 1.00 54.43 H new ATOM 0 HG23 VAL A 64 2.061 1.334 7.669 1.00 54.43 H new ATOM 1116 N PRO A 65 3.513 3.612 11.040 1.00 2.13 N ATOM 1117 CA PRO A 65 4.687 4.516 10.820 1.00 33.14 C ATOM 1118 C PRO A 65 6.047 3.761 10.817 1.00 42.23 C ATOM 1119 O PRO A 65 7.104 4.363 10.601 1.00 71.20 O ATOM 1120 CB PRO A 65 4.579 5.509 12.003 1.00 0.34 C ATOM 1121 CG PRO A 65 3.919 4.724 13.090 1.00 74.31 C ATOM 1122 CD PRO A 65 2.923 3.820 12.397 1.00 31.33 C ATOM 0 HA PRO A 65 4.665 4.997 9.842 1.00 33.14 H new ATOM 0 HB2 PRO A 65 5.561 5.867 12.312 1.00 0.34 H new ATOM 0 HB3 PRO A 65 3.991 6.386 11.733 1.00 0.34 H new ATOM 0 HG2 PRO A 65 4.650 4.143 13.652 1.00 74.31 H new ATOM 0 HG3 PRO A 65 3.421 5.383 13.801 1.00 74.31 H new ATOM 0 HD2 PRO A 65 2.802 2.877 12.929 1.00 31.33 H new ATOM 0 HD3 PRO A 65 1.937 4.282 12.338 1.00 31.33 H new ATOM 1130 N ASN A 66 5.986 2.445 11.081 1.00 52.31 N ATOM 1131 CA ASN A 66 7.144 1.532 11.006 1.00 43.20 C ATOM 1132 C ASN A 66 7.445 1.145 9.542 1.00 54.10 C ATOM 1133 O ASN A 66 8.601 0.899 9.182 1.00 4.15 O ATOM 1134 CB ASN A 66 6.863 0.250 11.843 1.00 0.44 C ATOM 1135 CG ASN A 66 5.682 -0.573 11.309 1.00 74.04 C ATOM 1136 OD1 ASN A 66 5.854 -1.455 10.468 1.00 63.14 O ATOM 1137 ND2 ASN A 66 4.482 -0.268 11.768 1.00 61.14 N ATOM 0 H ASN A 66 5.122 1.978 11.356 1.00 52.31 H new ATOM 0 HA ASN A 66 8.014 2.047 11.413 1.00 43.20 H new ATOM 0 HB2 ASN A 66 7.757 -0.373 11.853 1.00 0.44 H new ATOM 0 HB3 ASN A 66 6.662 0.535 12.876 1.00 0.44 H new ATOM 0 HD21 ASN A 66 3.662 -0.769 11.425 1.00 61.14 H new ATOM 0 HD22 ASN A 66 4.375 0.469 12.465 1.00 61.14 H new ATOM 1144 N ALA A 67 6.388 1.100 8.718 1.00 63.33 N ATOM 1145 CA ALA A 67 6.447 0.553 7.357 1.00 70.32 C ATOM 1146 C ALA A 67 7.143 1.516 6.384 1.00 32.42 C ATOM 1147 O ALA A 67 6.875 2.720 6.398 1.00 50.41 O ATOM 1148 CB ALA A 67 5.030 0.214 6.881 1.00 21.22 C ATOM 0 H ALA A 67 5.464 1.444 8.979 1.00 63.33 H new ATOM 0 HA ALA A 67 7.045 -0.358 7.377 1.00 70.32 H new ATOM 0 HB1 ALA A 67 5.073 -0.192 5.870 1.00 21.22 H new ATOM 0 HB2 ALA A 67 4.588 -0.524 7.550 1.00 21.22 H new ATOM 0 HB3 ALA A 67 4.420 1.117 6.883 1.00 21.22 H new ATOM 1154 N ARG A 68 8.048 0.970 5.549 1.00 51.33 N ATOM 1155 CA ARG A 68 8.774 1.741 4.527 1.00 43.13 C ATOM 1156 C ARG A 68 7.833 2.054 3.350 1.00 20.20 C ATOM 1157 O ARG A 68 7.578 1.203 2.511 1.00 40.14 O ATOM 1158 CB ARG A 68 10.015 0.924 4.053 1.00 12.44 C ATOM 1159 CG ARG A 68 10.819 1.530 2.882 1.00 64.02 C ATOM 1160 CD ARG A 68 11.456 2.882 3.217 1.00 31.30 C ATOM 1161 NE ARG A 68 12.442 2.776 4.303 1.00 22.34 N ATOM 1162 CZ ARG A 68 13.158 3.794 4.812 1.00 72.34 C ATOM 1163 NH1 ARG A 68 13.027 5.040 4.346 1.00 4.00 N ATOM 1164 NH2 ARG A 68 14.016 3.552 5.798 1.00 13.24 N ATOM 0 H ARG A 68 8.295 -0.020 5.566 1.00 51.33 H new ATOM 0 HA ARG A 68 9.120 2.686 4.946 1.00 43.13 H new ATOM 0 HB2 ARG A 68 10.687 0.797 4.902 1.00 12.44 H new ATOM 0 HB3 ARG A 68 9.680 -0.071 3.761 1.00 12.44 H new ATOM 0 HG2 ARG A 68 11.602 0.831 2.588 1.00 64.02 H new ATOM 0 HG3 ARG A 68 10.160 1.650 2.022 1.00 64.02 H new ATOM 0 HD2 ARG A 68 11.940 3.285 2.327 1.00 31.30 H new ATOM 0 HD3 ARG A 68 10.677 3.588 3.503 1.00 31.30 H new ATOM 0 HE ARG A 68 12.596 1.851 4.704 1.00 22.34 H new ATOM 0 HH11 ARG A 68 12.373 5.235 3.588 1.00 4.00 H new ATOM 0 HH12 ARG A 68 13.581 5.796 4.748 1.00 4.00 H new ATOM 0 HH21 ARG A 68 14.124 2.604 6.159 1.00 13.24 H new ATOM 0 HH22 ARG A 68 14.566 4.314 6.194 1.00 13.24 H new ATOM 1178 N VAL A 69 7.320 3.280 3.293 1.00 54.51 N ATOM 1179 CA VAL A 69 6.415 3.720 2.217 1.00 12.01 C ATOM 1180 C VAL A 69 7.250 4.410 1.130 1.00 60.22 C ATOM 1181 O VAL A 69 8.182 5.153 1.454 1.00 55.25 O ATOM 1182 CB VAL A 69 5.305 4.694 2.757 1.00 33.54 C ATOM 1183 CG1 VAL A 69 4.235 4.963 1.686 1.00 24.42 C ATOM 1184 CG2 VAL A 69 4.665 4.146 4.048 1.00 14.23 C ATOM 0 H VAL A 69 7.515 4.001 3.987 1.00 54.51 H new ATOM 0 HA VAL A 69 5.904 2.850 1.804 1.00 12.01 H new ATOM 0 HB VAL A 69 5.785 5.643 2.997 1.00 33.54 H new ATOM 0 HG11 VAL A 69 3.480 5.640 2.087 1.00 24.42 H new ATOM 0 HG12 VAL A 69 4.701 5.417 0.812 1.00 24.42 H new ATOM 0 HG13 VAL A 69 3.764 4.023 1.399 1.00 24.42 H new ATOM 0 HG21 VAL A 69 3.901 4.840 4.398 1.00 14.23 H new ATOM 0 HG22 VAL A 69 4.209 3.177 3.845 1.00 14.23 H new ATOM 0 HG23 VAL A 69 5.432 4.033 4.815 1.00 14.23 H new ATOM 1194 N ARG A 70 6.934 4.144 -0.145 1.00 34.40 N ATOM 1195 CA ARG A 70 7.659 4.716 -1.283 1.00 51.33 C ATOM 1196 C ARG A 70 6.670 5.142 -2.378 1.00 42.14 C ATOM 1197 O ARG A 70 6.099 4.298 -3.079 1.00 42.30 O ATOM 1198 CB ARG A 70 8.711 3.693 -1.814 1.00 3.41 C ATOM 1199 CG ARG A 70 9.559 4.170 -3.019 1.00 52.22 C ATOM 1200 CD ARG A 70 10.212 5.551 -2.803 1.00 53.30 C ATOM 1201 NE ARG A 70 11.033 5.615 -1.577 1.00 44.02 N ATOM 1202 CZ ARG A 70 11.632 6.728 -1.098 1.00 3.34 C ATOM 1203 NH1 ARG A 70 11.527 7.901 -1.731 1.00 71.04 N ATOM 1204 NH2 ARG A 70 12.321 6.665 0.035 1.00 50.40 N ATOM 0 H ARG A 70 6.168 3.526 -0.414 1.00 34.40 H new ATOM 0 HA ARG A 70 8.198 5.607 -0.962 1.00 51.33 H new ATOM 0 HB2 ARG A 70 9.385 3.436 -0.997 1.00 3.41 H new ATOM 0 HB3 ARG A 70 8.191 2.778 -2.098 1.00 3.41 H new ATOM 0 HG2 ARG A 70 10.339 3.435 -3.218 1.00 52.22 H new ATOM 0 HG3 ARG A 70 8.926 4.211 -3.905 1.00 52.22 H new ATOM 0 HD2 ARG A 70 10.836 5.791 -3.664 1.00 53.30 H new ATOM 0 HD3 ARG A 70 9.433 6.311 -2.752 1.00 53.30 H new ATOM 0 HE ARG A 70 11.158 4.751 -1.050 1.00 44.02 H new ATOM 0 HH11 ARG A 70 10.986 7.969 -2.593 1.00 71.04 H new ATOM 0 HH12 ARG A 70 11.987 8.728 -1.352 1.00 71.04 H new ATOM 0 HH21 ARG A 70 12.396 5.781 0.538 1.00 50.40 H new ATOM 0 HH22 ARG A 70 12.776 7.501 0.403 1.00 50.40 H new ATOM 1218 N GLU A 71 6.469 6.469 -2.495 1.00 60.25 N ATOM 1219 CA GLU A 71 5.626 7.076 -3.535 1.00 34.24 C ATOM 1220 C GLU A 71 6.438 7.169 -4.838 1.00 63.21 C ATOM 1221 O GLU A 71 7.519 7.769 -4.854 1.00 33.44 O ATOM 1222 CB GLU A 71 5.136 8.500 -3.124 1.00 70.21 C ATOM 1223 CG GLU A 71 4.402 8.578 -1.765 1.00 15.13 C ATOM 1224 CD GLU A 71 5.339 8.631 -0.539 1.00 1.51 C ATOM 1225 OE1 GLU A 71 5.794 9.737 -0.172 1.00 74.04 O ATOM 1226 OE2 GLU A 71 5.624 7.575 0.064 1.00 34.41 O ATOM 0 H GLU A 71 6.891 7.151 -1.865 1.00 60.25 H new ATOM 0 HA GLU A 71 4.745 6.450 -3.673 1.00 34.24 H new ATOM 0 HB2 GLU A 71 5.997 9.168 -3.092 1.00 70.21 H new ATOM 0 HB3 GLU A 71 4.470 8.875 -3.901 1.00 70.21 H new ATOM 0 HG2 GLU A 71 3.765 9.463 -1.759 1.00 15.13 H new ATOM 0 HG3 GLU A 71 3.746 7.713 -1.669 1.00 15.13 H new ATOM 1233 N THR A 72 5.924 6.564 -5.907 1.00 50.55 N ATOM 1234 CA THR A 72 6.566 6.570 -7.227 1.00 43.13 C ATOM 1235 C THR A 72 5.497 6.830 -8.297 1.00 41.11 C ATOM 1236 O THR A 72 4.587 6.017 -8.473 1.00 32.31 O ATOM 1237 CB THR A 72 7.318 5.214 -7.519 1.00 73.12 C ATOM 1238 OG1 THR A 72 6.459 4.095 -7.240 1.00 24.22 O ATOM 1239 CG2 THR A 72 8.610 5.063 -6.696 1.00 43.20 C ATOM 0 H THR A 72 5.043 6.051 -5.885 1.00 50.55 H new ATOM 0 HA THR A 72 7.315 7.361 -7.246 1.00 43.13 H new ATOM 0 HB THR A 72 7.589 5.233 -8.575 1.00 73.12 H new ATOM 0 HG1 THR A 72 5.668 4.404 -6.751 1.00 24.22 H new ATOM 0 HG21 THR A 72 9.086 4.112 -6.937 1.00 43.20 H new ATOM 0 HG22 THR A 72 9.291 5.880 -6.934 1.00 43.20 H new ATOM 0 HG23 THR A 72 8.370 5.089 -5.633 1.00 43.20 H new ATOM 1247 N GLU A 73 5.583 7.985 -8.980 1.00 60.25 N ATOM 1248 CA GLU A 73 4.699 8.299 -10.110 1.00 52.25 C ATOM 1249 C GLU A 73 5.420 7.950 -11.411 1.00 2.22 C ATOM 1250 O GLU A 73 6.659 8.000 -11.483 1.00 24.05 O ATOM 1251 CB GLU A 73 4.228 9.788 -10.102 1.00 53.34 C ATOM 1252 CG GLU A 73 5.284 10.856 -10.455 1.00 54.01 C ATOM 1253 CD GLU A 73 6.428 10.981 -9.431 1.00 3.35 C ATOM 1254 OE1 GLU A 73 6.209 11.559 -8.347 1.00 1.23 O ATOM 1255 OE2 GLU A 73 7.551 10.505 -9.703 1.00 41.00 O ATOM 0 H GLU A 73 6.260 8.718 -8.766 1.00 60.25 H new ATOM 0 HA GLU A 73 3.793 7.699 -10.020 1.00 52.25 H new ATOM 0 HB2 GLU A 73 3.399 9.885 -10.803 1.00 53.34 H new ATOM 0 HB3 GLU A 73 3.835 10.014 -9.111 1.00 53.34 H new ATOM 0 HG2 GLU A 73 5.710 10.620 -11.430 1.00 54.01 H new ATOM 0 HG3 GLU A 73 4.789 11.822 -10.548 1.00 54.01 H new ATOM 1262 N THR A 74 4.643 7.561 -12.416 1.00 62.40 N ATOM 1263 CA THR A 74 5.149 7.200 -13.735 1.00 61.12 C ATOM 1264 C THR A 74 4.454 8.081 -14.766 1.00 20.04 C ATOM 1265 O THR A 74 3.230 8.182 -14.755 1.00 33.54 O ATOM 1266 CB THR A 74 4.867 5.701 -14.047 1.00 63.30 C ATOM 1267 OG1 THR A 74 5.160 4.910 -12.886 1.00 31.25 O ATOM 1268 CG2 THR A 74 5.696 5.189 -15.240 1.00 14.31 C ATOM 0 H THR A 74 3.629 7.487 -12.336 1.00 62.40 H new ATOM 0 HA THR A 74 6.228 7.350 -13.765 1.00 61.12 H new ATOM 0 HB THR A 74 3.814 5.611 -14.315 1.00 63.30 H new ATOM 0 HG1 THR A 74 4.981 3.966 -13.080 1.00 31.25 H new ATOM 0 HG21 THR A 74 5.465 4.139 -15.419 1.00 14.31 H new ATOM 0 HG22 THR A 74 5.453 5.771 -16.129 1.00 14.31 H new ATOM 0 HG23 THR A 74 6.758 5.294 -15.017 1.00 14.31 H new