USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 86 LYS NZ :NH3+ -175:sc= 1.11 (180deg=-0.00874) USER MOD Set 1.2: A 88 SER OG : rot -96:sc= 0.975 USER MOD Set 2.1: A 15 SER OG : rot -25:sc= 1.17 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 162:sc= -1.27 (180deg=-2.42!) USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= 0.107 USER MOD Set 4.1: A 5 THR OG1 : rot 86:sc= 0.628 USER MOD Set 4.2: A 53 GLN : amide:sc= -1.78! K(o=-1.1!,f=0.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0678 X(o=-0.068,f=0.0077) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.388 K(o=0.39,f=-1.7) USER MOD Single : A 12 ASN : amide:sc= 0.384 K(o=0.38,f=-1.7) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 17 MET CE :methyl 177:sc= -0.0369 (180deg=-0.0581) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.73) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.911) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00264 USER MOD Single : A 44 GLN : amide:sc= 1.25 K(o=1.2,f=-0.042) USER MOD Single : A 46 ASN : amide:sc= -0.42 K(o=-0.42,f=-4.5!) USER MOD Single : A 61 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.665 K(o=-0.67,f=-0.1) USER MOD Single : A 67 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.54) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 74 THR OG1 : rot 63:sc= 0.891 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00547 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.419 13.824 3.768 1.00 2.23 N ATOM 2 CA GLY A 1 5.041 12.579 3.099 1.00 34.53 C ATOM 3 C GLY A 1 5.061 12.749 1.598 1.00 32.21 C ATOM 4 O GLY A 1 4.029 13.122 1.050 1.00 32.33 O ATOM 0 H1 GLY A 1 5.399 13.684 4.798 1.00 2.23 H new ATOM 0 H2 GLY A 1 6.378 14.098 3.475 1.00 2.23 H new ATOM 0 H3 GLY A 1 4.749 14.576 3.507 1.00 2.23 H new ATOM 0 HA2 GLY A 1 5.727 11.783 3.388 1.00 34.53 H new ATOM 0 HA3 GLY A 1 4.045 12.275 3.422 1.00 34.53 H new ATOM 8 N HIS A 2 6.207 12.510 0.950 1.00 53.14 N ATOM 9 CA HIS A 2 6.400 12.607 -0.498 1.00 62.23 C ATOM 10 C HIS A 2 7.693 11.893 -0.917 1.00 51.24 C ATOM 11 O HIS A 2 7.712 11.151 -1.904 1.00 30.44 O ATOM 12 CB HIS A 2 6.487 14.088 -0.916 1.00 65.45 C ATOM 13 CG HIS A 2 5.486 14.492 -1.965 1.00 11.01 C ATOM 14 ND1 HIS A 2 5.773 14.993 -3.216 1.00 71.21 N ATOM 15 CD2 HIS A 2 4.129 14.547 -1.801 1.00 5.02 C ATOM 16 CE1 HIS A 2 4.619 15.385 -3.776 1.00 14.23 C ATOM 17 NE2 HIS A 2 3.593 15.151 -2.939 1.00 72.11 N ATOM 0 H HIS A 2 7.057 12.233 1.441 1.00 53.14 H new ATOM 0 HA HIS A 2 5.552 12.132 -0.990 1.00 62.23 H new ATOM 0 HB2 HIS A 2 6.344 14.712 -0.034 1.00 65.45 H new ATOM 0 HB3 HIS A 2 7.491 14.290 -1.290 1.00 65.45 H new ATOM 0 HD2 HIS A 2 3.574 14.188 -0.947 1.00 5.02 H new ATOM 0 HE1 HIS A 2 4.527 15.825 -4.758 1.00 14.23 H new ATOM 0 HE2 HIS A 2 2.611 15.373 -3.104 1.00 72.11 H new ATOM 25 N MET A 3 8.791 12.126 -0.187 1.00 50.22 N ATOM 26 CA MET A 3 10.061 11.480 -0.481 1.00 31.40 C ATOM 27 C MET A 3 9.907 9.984 -0.249 1.00 5.31 C ATOM 28 O MET A 3 9.681 9.571 0.888 1.00 24.43 O ATOM 29 CB MET A 3 11.205 11.994 0.393 1.00 43.42 C ATOM 30 CG MET A 3 11.531 13.474 0.231 1.00 50.15 C ATOM 31 SD MET A 3 10.721 14.506 1.471 1.00 2.42 S ATOM 32 CE MET A 3 12.150 15.435 2.071 1.00 10.00 C ATOM 0 H MET A 3 8.818 12.760 0.612 1.00 50.22 H new ATOM 0 HA MET A 3 10.313 11.707 -1.517 1.00 31.40 H new ATOM 0 HB2 MET A 3 10.956 11.805 1.437 1.00 43.42 H new ATOM 0 HB3 MET A 3 12.101 11.414 0.169 1.00 43.42 H new ATOM 0 HG2 MET A 3 12.610 13.613 0.297 1.00 50.15 H new ATOM 0 HG3 MET A 3 11.227 13.802 -0.763 1.00 50.15 H new ATOM 0 HE1 MET A 3 11.832 16.128 2.850 1.00 10.00 H new ATOM 0 HE2 MET A 3 12.888 14.744 2.479 1.00 10.00 H new ATOM 0 HE3 MET A 3 12.593 15.994 1.247 1.00 10.00 H new ATOM 42 N ASP A 4 10.066 9.222 -1.332 1.00 51.33 N ATOM 43 CA ASP A 4 10.051 7.769 -1.393 1.00 14.23 C ATOM 44 C ASP A 4 8.676 7.278 -0.927 1.00 5.04 C ATOM 45 O ASP A 4 8.391 7.132 0.263 1.00 11.21 O ATOM 46 CB ASP A 4 11.273 7.154 -0.686 1.00 21.20 C ATOM 47 CG ASP A 4 12.617 7.638 -1.255 1.00 31.21 C ATOM 48 OD1 ASP A 4 13.242 6.921 -2.070 1.00 10.42 O ATOM 49 OD2 ASP A 4 13.043 8.780 -0.957 1.00 1.22 O ATOM 0 H ASP A 4 10.219 9.638 -2.251 1.00 51.33 H new ATOM 0 HA ASP A 4 10.170 7.414 -2.417 1.00 14.23 H new ATOM 0 HB2 ASP A 4 11.229 7.396 0.376 1.00 21.20 H new ATOM 0 HB3 ASP A 4 11.222 6.068 -0.768 1.00 21.20 H new ATOM 54 N THR A 5 7.767 7.129 -1.891 1.00 25.51 N ATOM 55 CA THR A 5 6.366 6.794 -1.674 1.00 23.52 C ATOM 56 C THR A 5 6.066 5.493 -2.396 1.00 64.32 C ATOM 57 O THR A 5 6.271 5.400 -3.612 1.00 51.43 O ATOM 58 CB THR A 5 5.461 7.929 -2.163 1.00 72.23 C ATOM 59 OG1 THR A 5 5.835 9.133 -1.517 1.00 34.42 O ATOM 60 CG2 THR A 5 3.984 7.631 -1.887 1.00 22.42 C ATOM 0 H THR A 5 7.998 7.243 -2.878 1.00 25.51 H new ATOM 0 HA THR A 5 6.171 6.666 -0.609 1.00 23.52 H new ATOM 0 HB THR A 5 5.584 8.026 -3.242 1.00 72.23 H new ATOM 0 HG1 THR A 5 6.563 9.559 -2.015 1.00 34.42 H new ATOM 0 HG21 THR A 5 3.372 8.458 -2.247 1.00 22.42 H new ATOM 0 HG22 THR A 5 3.695 6.715 -2.402 1.00 22.42 H new ATOM 0 HG23 THR A 5 3.832 7.508 -0.815 1.00 22.42 H new ATOM 68 N ILE A 6 5.554 4.507 -1.658 1.00 10.41 N ATOM 69 CA ILE A 6 4.948 3.335 -2.261 1.00 74.14 C ATOM 70 C ILE A 6 3.487 3.694 -2.510 1.00 74.23 C ATOM 71 O ILE A 6 2.805 4.243 -1.638 1.00 30.11 O ATOM 72 CB ILE A 6 5.119 2.064 -1.397 1.00 23.41 C ATOM 73 CG1 ILE A 6 6.595 1.911 -0.985 1.00 52.43 C ATOM 74 CG2 ILE A 6 4.570 0.831 -2.133 1.00 24.40 C ATOM 75 CD1 ILE A 6 6.938 0.639 -0.221 1.00 72.52 C ATOM 0 H ILE A 6 5.551 4.504 -0.638 1.00 10.41 H new ATOM 0 HA ILE A 6 5.444 3.079 -3.197 1.00 74.14 H new ATOM 0 HB ILE A 6 4.535 2.158 -0.481 1.00 23.41 H new ATOM 0 HG12 ILE A 6 7.210 1.950 -1.884 1.00 52.43 H new ATOM 0 HG13 ILE A 6 6.873 2.768 -0.371 1.00 52.43 H new ATOM 0 HG21 ILE A 6 4.700 -0.053 -1.509 1.00 24.40 H new ATOM 0 HG22 ILE A 6 3.510 0.975 -2.343 1.00 24.40 H new ATOM 0 HG23 ILE A 6 5.111 0.696 -3.070 1.00 24.40 H new ATOM 0 HD11 ILE A 6 8.001 0.634 0.019 1.00 72.52 H new ATOM 0 HD12 ILE A 6 6.358 0.601 0.701 1.00 72.52 H new ATOM 0 HD13 ILE A 6 6.701 -0.230 -0.835 1.00 72.52 H new ATOM 87 N ILE A 7 3.009 3.369 -3.702 1.00 41.14 N ATOM 88 CA ILE A 7 1.598 3.283 -4.036 1.00 51.23 C ATOM 89 C ILE A 7 1.292 1.811 -4.292 1.00 24.13 C ATOM 90 O ILE A 7 2.182 1.043 -4.645 1.00 21.52 O ATOM 91 CB ILE A 7 1.242 4.231 -5.210 1.00 14.21 C ATOM 92 CG1 ILE A 7 1.648 5.683 -4.886 1.00 43.11 C ATOM 93 CG2 ILE A 7 -0.259 4.212 -5.550 1.00 13.42 C ATOM 94 CD1 ILE A 7 3.042 6.071 -5.365 1.00 24.24 C ATOM 0 H ILE A 7 3.617 3.150 -4.491 1.00 41.14 H new ATOM 0 HA ILE A 7 0.963 3.629 -3.220 1.00 51.23 H new ATOM 0 HB ILE A 7 1.799 3.864 -6.072 1.00 14.21 H new ATOM 0 HG12 ILE A 7 0.921 6.359 -5.336 1.00 43.11 H new ATOM 0 HG13 ILE A 7 1.594 5.830 -3.807 1.00 43.11 H new ATOM 0 HG21 ILE A 7 -0.453 4.893 -6.379 1.00 13.42 H new ATOM 0 HG22 ILE A 7 -0.555 3.202 -5.834 1.00 13.42 H new ATOM 0 HG23 ILE A 7 -0.833 4.527 -4.679 1.00 13.42 H new ATOM 0 HD11 ILE A 7 3.244 7.108 -5.095 1.00 24.24 H new ATOM 0 HD12 ILE A 7 3.782 5.423 -4.895 1.00 24.24 H new ATOM 0 HD13 ILE A 7 3.098 5.960 -6.448 1.00 24.24 H new ATOM 106 N LEU A 8 0.037 1.419 -4.114 1.00 35.22 N ATOM 107 CA LEU A 8 -0.466 0.082 -4.362 1.00 75.44 C ATOM 108 C LEU A 8 -1.652 0.175 -5.312 1.00 14.11 C ATOM 109 O LEU A 8 -2.316 1.216 -5.379 1.00 34.42 O ATOM 110 CB LEU A 8 -0.931 -0.571 -3.056 1.00 35.51 C ATOM 111 CG LEU A 8 0.119 -0.747 -1.948 1.00 41.03 C ATOM 112 CD1 LEU A 8 -0.595 -1.451 -0.793 1.00 23.12 C ATOM 113 CD2 LEU A 8 1.341 -1.565 -2.370 1.00 22.21 C ATOM 0 H LEU A 8 -0.686 2.055 -3.778 1.00 35.22 H new ATOM 0 HA LEU A 8 0.331 -0.522 -4.795 1.00 75.44 H new ATOM 0 HB2 LEU A 8 -1.751 0.024 -2.654 1.00 35.51 H new ATOM 0 HB3 LEU A 8 -1.338 -1.553 -3.295 1.00 35.51 H new ATOM 0 HG LEU A 8 0.510 0.234 -1.679 1.00 41.03 H new ATOM 0 HD11 LEU A 8 0.105 -1.604 0.028 1.00 23.12 H new ATOM 0 HD12 LEU A 8 -1.427 -0.836 -0.451 1.00 23.12 H new ATOM 0 HD13 LEU A 8 -0.972 -2.416 -1.132 1.00 23.12 H new ATOM 0 HD21 LEU A 8 2.034 -1.643 -1.532 1.00 22.21 H new ATOM 0 HD22 LEU A 8 1.024 -2.563 -2.673 1.00 22.21 H new ATOM 0 HD23 LEU A 8 1.837 -1.073 -3.206 1.00 22.21 H new ATOM 125 N ARG A 9 -1.988 -0.928 -5.981 1.00 31.33 N ATOM 126 CA ARG A 9 -3.178 -1.037 -6.833 1.00 24.32 C ATOM 127 C ARG A 9 -3.895 -2.347 -6.536 1.00 73.12 C ATOM 128 O ARG A 9 -3.276 -3.251 -5.971 1.00 32.12 O ATOM 129 CB ARG A 9 -2.836 -0.956 -8.335 1.00 13.03 C ATOM 130 CG ARG A 9 -1.719 0.016 -8.737 1.00 51.25 C ATOM 131 CD ARG A 9 -1.816 0.314 -10.239 1.00 11.30 C ATOM 132 NE ARG A 9 -0.688 1.102 -10.770 1.00 11.13 N ATOM 133 CZ ARG A 9 -0.566 2.432 -10.840 1.00 52.34 C ATOM 134 NH1 ARG A 9 -1.402 3.216 -10.157 1.00 33.30 N ATOM 135 NH2 ARG A 9 0.385 2.979 -11.589 1.00 32.53 N ATOM 0 H ARG A 9 -1.435 -1.784 -5.948 1.00 31.33 H new ATOM 0 HA ARG A 9 -3.826 -0.191 -6.604 1.00 24.32 H new ATOM 0 HB2 ARG A 9 -2.557 -1.954 -8.675 1.00 13.03 H new ATOM 0 HB3 ARG A 9 -3.741 -0.677 -8.875 1.00 13.03 H new ATOM 0 HG2 ARG A 9 -1.804 0.940 -8.166 1.00 51.25 H new ATOM 0 HG3 ARG A 9 -0.746 -0.415 -8.503 1.00 51.25 H new ATOM 0 HD2 ARG A 9 -1.874 -0.629 -10.783 1.00 11.30 H new ATOM 0 HD3 ARG A 9 -2.744 0.852 -10.433 1.00 11.30 H new ATOM 0 HE ARG A 9 0.100 0.564 -11.130 1.00 11.13 H new ATOM 0 HH11 ARG A 9 -2.135 2.801 -9.581 1.00 33.30 H new ATOM 0 HH12 ARG A 9 -1.309 4.230 -10.211 1.00 33.30 H new ATOM 0 HH21 ARG A 9 1.026 2.384 -12.114 1.00 32.53 H new ATOM 0 HH22 ARG A 9 0.474 3.994 -11.639 1.00 32.53 H new ATOM 149 N ASN A 10 -5.161 -2.445 -6.960 1.00 1.31 N ATOM 150 CA ASN A 10 -6.020 -3.631 -6.884 1.00 21.44 C ATOM 151 C ASN A 10 -6.522 -3.909 -5.459 1.00 35.21 C ATOM 152 O ASN A 10 -6.556 -5.040 -4.975 1.00 24.40 O ATOM 153 CB ASN A 10 -5.339 -4.835 -7.559 1.00 52.02 C ATOM 154 CG ASN A 10 -6.296 -5.985 -7.822 1.00 71.11 C ATOM 155 OD1 ASN A 10 -7.507 -5.802 -7.894 1.00 63.32 O ATOM 156 ND2 ASN A 10 -5.761 -7.182 -7.973 1.00 61.12 N ATOM 0 H ASN A 10 -5.640 -1.653 -7.390 1.00 1.31 H new ATOM 0 HA ASN A 10 -6.929 -3.431 -7.451 1.00 21.44 H new ATOM 0 HB2 ASN A 10 -4.897 -4.514 -8.502 1.00 52.02 H new ATOM 0 HB3 ASN A 10 -4.523 -5.185 -6.927 1.00 52.02 H new ATOM 0 HD21 ASN A 10 -6.358 -7.988 -8.155 1.00 61.12 H new ATOM 0 HD22 ASN A 10 -4.750 -7.301 -7.907 1.00 61.12 H new ATOM 163 N LEU A 11 -6.871 -2.855 -4.724 1.00 55.33 N ATOM 164 CA LEU A 11 -7.433 -2.927 -3.393 1.00 61.25 C ATOM 165 C LEU A 11 -8.953 -3.116 -3.523 1.00 22.33 C ATOM 166 O LEU A 11 -9.676 -2.134 -3.701 1.00 23.10 O ATOM 167 CB LEU A 11 -7.105 -1.614 -2.664 1.00 44.53 C ATOM 168 CG LEU A 11 -5.622 -1.276 -2.419 1.00 63.42 C ATOM 169 CD1 LEU A 11 -5.017 -2.120 -1.300 1.00 20.33 C ATOM 170 CD2 LEU A 11 -4.670 -1.315 -3.608 1.00 40.01 C ATOM 0 H LEU A 11 -6.763 -1.897 -5.058 1.00 55.33 H new ATOM 0 HA LEU A 11 -7.020 -3.761 -2.826 1.00 61.25 H new ATOM 0 HB2 LEU A 11 -7.544 -0.796 -3.235 1.00 44.53 H new ATOM 0 HB3 LEU A 11 -7.608 -1.634 -1.697 1.00 44.53 H new ATOM 0 HG LEU A 11 -5.699 -0.223 -2.147 1.00 63.42 H new ATOM 0 HD11 LEU A 11 -3.971 -1.847 -1.163 1.00 20.33 H new ATOM 0 HD12 LEU A 11 -5.563 -1.941 -0.374 1.00 20.33 H new ATOM 0 HD13 LEU A 11 -5.085 -3.176 -1.563 1.00 20.33 H new ATOM 0 HD21 LEU A 11 -3.664 -1.055 -3.278 1.00 40.01 H new ATOM 0 HD22 LEU A 11 -4.663 -2.317 -4.036 1.00 40.01 H new ATOM 0 HD23 LEU A 11 -5.000 -0.601 -4.362 1.00 40.01 H new ATOM 182 N ASN A 12 -9.455 -4.351 -3.419 1.00 11.23 N ATOM 183 CA ASN A 12 -10.902 -4.656 -3.435 1.00 43.14 C ATOM 184 C ASN A 12 -11.661 -3.765 -2.457 1.00 74.24 C ATOM 185 O ASN A 12 -11.096 -3.386 -1.429 1.00 54.31 O ATOM 186 CB ASN A 12 -11.191 -6.101 -2.988 1.00 4.51 C ATOM 187 CG ASN A 12 -11.594 -7.063 -4.089 1.00 40.22 C ATOM 188 OD1 ASN A 12 -11.400 -6.812 -5.272 1.00 0.43 O ATOM 189 ND2 ASN A 12 -12.134 -8.188 -3.676 1.00 74.15 N ATOM 0 H ASN A 12 -8.868 -5.179 -3.320 1.00 11.23 H new ATOM 0 HA ASN A 12 -11.222 -4.494 -4.464 1.00 43.14 H new ATOM 0 HB2 ASN A 12 -10.302 -6.494 -2.495 1.00 4.51 H new ATOM 0 HB3 ASN A 12 -11.985 -6.079 -2.242 1.00 4.51 H new ATOM 0 HD21 ASN A 12 -12.412 -8.899 -4.353 1.00 74.15 H new ATOM 0 HD22 ASN A 12 -12.275 -8.350 -2.679 1.00 74.15 H new ATOM 196 N PRO A 13 -12.957 -3.526 -2.690 1.00 15.51 N ATOM 197 CA PRO A 13 -13.765 -2.615 -1.895 1.00 21.32 C ATOM 198 C PRO A 13 -13.758 -2.984 -0.412 1.00 14.32 C ATOM 199 O PRO A 13 -13.485 -2.116 0.419 1.00 24.33 O ATOM 200 CB PRO A 13 -15.153 -2.650 -2.541 1.00 72.30 C ATOM 201 CG PRO A 13 -15.196 -3.964 -3.314 1.00 72.04 C ATOM 202 CD PRO A 13 -13.753 -4.129 -3.748 1.00 55.31 C ATOM 0 HA PRO A 13 -13.370 -1.599 -1.897 1.00 21.32 H new ATOM 0 HB2 PRO A 13 -15.940 -2.609 -1.788 1.00 72.30 H new ATOM 0 HB3 PRO A 13 -15.302 -1.797 -3.204 1.00 72.30 H new ATOM 0 HG2 PRO A 13 -15.530 -4.793 -2.690 1.00 72.04 H new ATOM 0 HG3 PRO A 13 -15.874 -3.913 -4.166 1.00 72.04 H new ATOM 0 HD2 PRO A 13 -13.500 -5.181 -3.878 1.00 55.31 H new ATOM 0 HD3 PRO A 13 -13.572 -3.637 -4.704 1.00 55.31 H new ATOM 210 N HIS A 14 -13.975 -4.261 -0.079 1.00 11.43 N ATOM 211 CA HIS A 14 -14.094 -4.702 1.314 1.00 40.43 C ATOM 212 C HIS A 14 -12.734 -4.968 1.993 1.00 51.53 C ATOM 213 O HIS A 14 -12.681 -5.583 3.058 1.00 73.33 O ATOM 214 CB HIS A 14 -14.954 -5.973 1.346 1.00 23.34 C ATOM 215 CG HIS A 14 -16.395 -5.727 0.995 1.00 3.52 C ATOM 216 ND1 HIS A 14 -17.372 -5.320 1.873 1.00 63.34 N ATOM 217 CD2 HIS A 14 -16.970 -5.846 -0.238 1.00 2.35 C ATOM 218 CE1 HIS A 14 -18.512 -5.178 1.184 1.00 61.02 C ATOM 219 NE2 HIS A 14 -18.322 -5.519 -0.101 1.00 63.31 N ATOM 0 H HIS A 14 -14.072 -5.012 -0.762 1.00 11.43 H new ATOM 0 HA HIS A 14 -14.559 -3.894 1.879 1.00 40.43 H new ATOM 0 HB2 HIS A 14 -14.538 -6.702 0.651 1.00 23.34 H new ATOM 0 HB3 HIS A 14 -14.900 -6.414 2.341 1.00 23.34 H new ATOM 0 HD2 HIS A 14 -16.472 -6.139 -1.151 1.00 2.35 H new ATOM 0 HE1 HIS A 14 -19.448 -4.838 1.601 1.00 61.02 H new ATOM 0 HE2 HIS A 14 -19.029 -5.536 -0.836 1.00 63.31 H new ATOM 227 N SER A 15 -11.624 -4.521 1.395 1.00 74.45 N ATOM 228 CA SER A 15 -10.275 -4.831 1.851 1.00 21.13 C ATOM 229 C SER A 15 -9.844 -4.101 3.126 1.00 54.33 C ATOM 230 O SER A 15 -8.831 -4.497 3.696 1.00 43.42 O ATOM 231 CB SER A 15 -9.265 -4.584 0.735 1.00 3.33 C ATOM 232 OG SER A 15 -8.047 -5.229 1.060 1.00 14.41 O ATOM 0 H SER A 15 -11.644 -3.925 0.568 1.00 74.45 H new ATOM 0 HA SER A 15 -10.297 -5.889 2.114 1.00 21.13 H new ATOM 0 HB2 SER A 15 -9.650 -4.963 -0.211 1.00 3.33 H new ATOM 0 HB3 SER A 15 -9.101 -3.514 0.606 1.00 3.33 H new ATOM 0 HG SER A 15 -7.977 -5.325 2.033 1.00 14.41 H new ATOM 238 N THR A 16 -10.456 -2.967 3.465 1.00 2.21 N ATOM 239 CA THR A 16 -10.088 -2.124 4.601 1.00 51.14 C ATOM 240 C THR A 16 -8.645 -1.595 4.513 1.00 2.13 C ATOM 241 O THR A 16 -8.050 -1.568 3.430 1.00 53.23 O ATOM 242 CB THR A 16 -10.435 -2.822 5.941 1.00 52.14 C ATOM 243 OG1 THR A 16 -11.191 -4.013 5.811 1.00 23.13 O ATOM 244 CG2 THR A 16 -11.200 -1.860 6.850 1.00 40.11 C ATOM 0 H THR A 16 -11.248 -2.598 2.939 1.00 2.21 H new ATOM 0 HA THR A 16 -10.698 -1.221 4.561 1.00 51.14 H new ATOM 0 HB THR A 16 -9.474 -3.105 6.370 1.00 52.14 H new ATOM 0 HG1 THR A 16 -11.365 -4.389 6.699 1.00 23.13 H new ATOM 0 HG21 THR A 16 -11.439 -2.359 7.789 1.00 40.11 H new ATOM 0 HG22 THR A 16 -10.585 -0.983 7.052 1.00 40.11 H new ATOM 0 HG23 THR A 16 -12.122 -1.551 6.358 1.00 40.11 H new ATOM 252 N MET A 17 -8.105 -1.081 5.627 1.00 33.14 N ATOM 253 CA MET A 17 -6.699 -0.725 5.773 1.00 45.11 C ATOM 254 C MET A 17 -6.067 -1.613 6.826 1.00 12.42 C ATOM 255 O MET A 17 -5.107 -2.312 6.525 1.00 42.35 O ATOM 256 CB MET A 17 -6.521 0.746 6.158 1.00 52.42 C ATOM 257 CG MET A 17 -5.031 1.108 6.118 1.00 2.42 C ATOM 258 SD MET A 17 -4.650 2.856 6.372 1.00 62.12 S ATOM 259 CE MET A 17 -5.060 3.023 8.124 1.00 51.21 C ATOM 0 H MET A 17 -8.653 -0.899 6.468 1.00 33.14 H new ATOM 0 HA MET A 17 -6.209 -0.874 4.811 1.00 45.11 H new ATOM 0 HB2 MET A 17 -7.079 1.383 5.472 1.00 52.42 H new ATOM 0 HB3 MET A 17 -6.923 0.923 7.156 1.00 52.42 H new ATOM 0 HG2 MET A 17 -4.513 0.526 6.880 1.00 2.42 H new ATOM 0 HG3 MET A 17 -4.626 0.802 5.153 1.00 2.42 H new ATOM 0 HE1 MET A 17 -4.830 4.035 8.457 1.00 51.21 H new ATOM 0 HE2 MET A 17 -6.122 2.826 8.270 1.00 51.21 H new ATOM 0 HE3 MET A 17 -4.475 2.309 8.704 1.00 51.21 H new ATOM 269 N ASP A 18 -6.596 -1.575 8.054 1.00 23.34 N ATOM 270 CA ASP A 18 -5.990 -2.285 9.179 1.00 34.12 C ATOM 271 C ASP A 18 -5.936 -3.789 8.923 1.00 2.11 C ATOM 272 O ASP A 18 -4.986 -4.460 9.316 1.00 61.33 O ATOM 273 CB ASP A 18 -6.735 -1.971 10.474 1.00 70.11 C ATOM 274 CG ASP A 18 -5.828 -2.263 11.659 1.00 32.32 C ATOM 275 OD1 ASP A 18 -5.991 -3.321 12.302 1.00 70.44 O ATOM 276 OD2 ASP A 18 -4.926 -1.437 11.911 1.00 13.41 O ATOM 0 H ASP A 18 -7.443 -1.059 8.291 1.00 23.34 H new ATOM 0 HA ASP A 18 -4.962 -1.937 9.284 1.00 34.12 H new ATOM 0 HB2 ASP A 18 -7.043 -0.925 10.486 1.00 70.11 H new ATOM 0 HB3 ASP A 18 -7.643 -2.571 10.540 1.00 70.11 H new ATOM 281 N SER A 19 -6.910 -4.284 8.159 1.00 24.01 N ATOM 282 CA SER A 19 -6.949 -5.618 7.585 1.00 43.12 C ATOM 283 C SER A 19 -5.623 -5.924 6.872 1.00 61.14 C ATOM 284 O SER A 19 -4.872 -6.793 7.318 1.00 4.50 O ATOM 285 CB SER A 19 -8.175 -5.680 6.674 1.00 55.21 C ATOM 286 OG SER A 19 -8.329 -6.930 6.051 1.00 64.01 O ATOM 0 H SER A 19 -7.733 -3.733 7.915 1.00 24.01 H new ATOM 0 HA SER A 19 -7.049 -6.393 8.345 1.00 43.12 H new ATOM 0 HB2 SER A 19 -9.068 -5.458 7.259 1.00 55.21 H new ATOM 0 HB3 SER A 19 -8.094 -4.906 5.910 1.00 55.21 H new ATOM 0 HG SER A 19 -9.127 -6.916 5.482 1.00 64.01 H new ATOM 292 N ILE A 20 -5.305 -5.164 5.816 1.00 75.14 N ATOM 293 CA ILE A 20 -4.101 -5.297 5.002 1.00 53.52 C ATOM 294 C ILE A 20 -2.866 -5.091 5.876 1.00 62.25 C ATOM 295 O ILE A 20 -1.904 -5.831 5.716 1.00 2.14 O ATOM 296 CB ILE A 20 -4.111 -4.299 3.817 1.00 23.11 C ATOM 297 CG1 ILE A 20 -5.384 -4.442 2.957 1.00 40.12 C ATOM 298 CG2 ILE A 20 -2.877 -4.478 2.907 1.00 24.52 C ATOM 299 CD1 ILE A 20 -5.507 -3.290 1.956 1.00 61.44 C ATOM 0 H ILE A 20 -5.910 -4.408 5.496 1.00 75.14 H new ATOM 0 HA ILE A 20 -4.075 -6.302 4.580 1.00 53.52 H new ATOM 0 HB ILE A 20 -4.089 -3.304 4.263 1.00 23.11 H new ATOM 0 HG12 ILE A 20 -5.360 -5.391 2.422 1.00 40.12 H new ATOM 0 HG13 ILE A 20 -6.262 -4.462 3.603 1.00 40.12 H new ATOM 0 HG21 ILE A 20 -2.921 -3.760 2.088 1.00 24.52 H new ATOM 0 HG22 ILE A 20 -1.970 -4.311 3.487 1.00 24.52 H new ATOM 0 HG23 ILE A 20 -2.867 -5.490 2.502 1.00 24.52 H new ATOM 0 HD11 ILE A 20 -6.413 -3.418 1.364 1.00 61.44 H new ATOM 0 HD12 ILE A 20 -5.556 -2.344 2.495 1.00 61.44 H new ATOM 0 HD13 ILE A 20 -4.640 -3.288 1.296 1.00 61.44 H new ATOM 311 N LEU A 21 -2.853 -4.104 6.778 1.00 2.10 N ATOM 312 CA LEU A 21 -1.722 -3.887 7.684 1.00 63.12 C ATOM 313 C LEU A 21 -1.410 -5.181 8.442 1.00 75.22 C ATOM 314 O LEU A 21 -0.258 -5.602 8.490 1.00 24.33 O ATOM 315 CB LEU A 21 -2.003 -2.710 8.638 1.00 2.41 C ATOM 316 CG LEU A 21 -1.872 -1.329 7.959 1.00 12.12 C ATOM 317 CD1 LEU A 21 -2.555 -0.209 8.754 1.00 61.45 C ATOM 318 CD2 LEU A 21 -0.396 -0.965 7.772 1.00 70.43 C ATOM 0 H LEU A 21 -3.618 -3.440 6.900 1.00 2.10 H new ATOM 0 HA LEU A 21 -0.841 -3.618 7.102 1.00 63.12 H new ATOM 0 HB2 LEU A 21 -3.009 -2.813 9.045 1.00 2.41 H new ATOM 0 HB3 LEU A 21 -1.312 -2.760 9.480 1.00 2.41 H new ATOM 0 HG LEU A 21 -2.372 -1.414 6.994 1.00 12.12 H new ATOM 0 HD11 LEU A 21 -2.430 0.738 8.229 1.00 61.45 H new ATOM 0 HD12 LEU A 21 -3.617 -0.431 8.855 1.00 61.45 H new ATOM 0 HD13 LEU A 21 -2.103 -0.138 9.743 1.00 61.45 H new ATOM 0 HD21 LEU A 21 -0.320 0.011 7.292 1.00 70.43 H new ATOM 0 HD22 LEU A 21 0.096 -0.931 8.744 1.00 70.43 H new ATOM 0 HD23 LEU A 21 0.087 -1.715 7.147 1.00 70.43 H new ATOM 330 N GLY A 22 -2.444 -5.862 8.938 1.00 24.12 N ATOM 331 CA GLY A 22 -2.304 -7.079 9.717 1.00 31.50 C ATOM 332 C GLY A 22 -2.217 -8.367 8.902 1.00 34.53 C ATOM 333 O GLY A 22 -2.331 -9.434 9.515 1.00 73.41 O ATOM 0 H GLY A 22 -3.413 -5.574 8.804 1.00 24.12 H new ATOM 0 HA2 GLY A 22 -1.408 -6.996 10.332 1.00 31.50 H new ATOM 0 HA3 GLY A 22 -3.152 -7.155 10.397 1.00 31.50 H new ATOM 337 N ALA A 23 -1.985 -8.291 7.585 1.00 55.25 N ATOM 338 CA ALA A 23 -1.876 -9.444 6.685 1.00 2.40 C ATOM 339 C ALA A 23 -0.709 -9.317 5.694 1.00 1.20 C ATOM 340 O ALA A 23 -0.023 -10.293 5.386 1.00 0.30 O ATOM 341 CB ALA A 23 -3.196 -9.586 5.928 1.00 73.55 C ATOM 0 H ALA A 23 -1.865 -7.400 7.104 1.00 55.25 H new ATOM 0 HA ALA A 23 -1.672 -10.330 7.287 1.00 2.40 H new ATOM 0 HB1 ALA A 23 -3.138 -10.439 5.252 1.00 73.55 H new ATOM 0 HB2 ALA A 23 -4.008 -9.741 6.638 1.00 73.55 H new ATOM 0 HB3 ALA A 23 -3.385 -8.679 5.353 1.00 73.55 H new ATOM 347 N LEU A 24 -0.462 -8.108 5.194 1.00 44.02 N ATOM 348 CA LEU A 24 0.563 -7.747 4.220 1.00 33.34 C ATOM 349 C LEU A 24 1.820 -7.241 4.942 1.00 4.00 C ATOM 350 O LEU A 24 2.522 -6.374 4.419 1.00 21.21 O ATOM 351 CB LEU A 24 -0.008 -6.673 3.271 1.00 2.31 C ATOM 352 CG LEU A 24 0.767 -6.559 1.939 1.00 3.13 C ATOM 353 CD1 LEU A 24 0.156 -7.462 0.866 1.00 41.03 C ATOM 354 CD2 LEU A 24 0.775 -5.111 1.436 1.00 12.11 C ATOM 0 H LEU A 24 -1.013 -7.298 5.480 1.00 44.02 H new ATOM 0 HA LEU A 24 0.848 -8.621 3.634 1.00 33.34 H new ATOM 0 HB2 LEU A 24 -1.051 -6.905 3.057 1.00 2.31 H new ATOM 0 HB3 LEU A 24 0.007 -5.707 3.776 1.00 2.31 H new ATOM 0 HG LEU A 24 1.791 -6.880 2.131 1.00 3.13 H new ATOM 0 HD11 LEU A 24 0.722 -7.361 -0.060 1.00 41.03 H new ATOM 0 HD12 LEU A 24 0.190 -8.499 1.201 1.00 41.03 H new ATOM 0 HD13 LEU A 24 -0.880 -7.171 0.692 1.00 41.03 H new ATOM 0 HD21 LEU A 24 1.326 -5.055 0.497 1.00 12.11 H new ATOM 0 HD22 LEU A 24 -0.250 -4.776 1.276 1.00 12.11 H new ATOM 0 HD23 LEU A 24 1.254 -4.471 2.177 1.00 12.11 H new ATOM 366 N ALA A 25 2.117 -7.739 6.146 1.00 3.40 N ATOM 367 CA ALA A 25 3.358 -7.419 6.847 1.00 22.40 C ATOM 368 C ALA A 25 4.097 -8.683 7.324 1.00 73.15 C ATOM 369 O ALA A 25 4.481 -8.770 8.494 1.00 12.33 O ATOM 370 CB ALA A 25 3.046 -6.440 7.974 1.00 4.03 C ATOM 0 H ALA A 25 1.504 -8.373 6.658 1.00 3.40 H new ATOM 0 HA ALA A 25 4.053 -6.938 6.159 1.00 22.40 H new ATOM 0 HB1 ALA A 25 3.965 -6.193 8.506 1.00 4.03 H new ATOM 0 HB2 ALA A 25 2.612 -5.531 7.557 1.00 4.03 H new ATOM 0 HB3 ALA A 25 2.338 -6.896 8.666 1.00 4.03 H new ATOM 376 N PRO A 26 4.389 -9.643 6.425 1.00 2.10 N ATOM 377 CA PRO A 26 5.153 -10.820 6.797 1.00 71.22 C ATOM 378 C PRO A 26 6.622 -10.492 7.068 1.00 72.52 C ATOM 379 O PRO A 26 7.226 -11.136 7.924 1.00 53.23 O ATOM 380 CB PRO A 26 4.991 -11.798 5.635 1.00 12.12 C ATOM 381 CG PRO A 26 4.707 -10.913 4.426 1.00 11.23 C ATOM 382 CD PRO A 26 3.968 -9.729 5.033 1.00 33.33 C ATOM 0 HA PRO A 26 4.788 -11.248 7.731 1.00 71.22 H new ATOM 0 HB2 PRO A 26 5.893 -12.393 5.488 1.00 12.12 H new ATOM 0 HB3 PRO A 26 4.174 -12.497 5.816 1.00 12.12 H new ATOM 0 HG2 PRO A 26 5.626 -10.603 3.928 1.00 11.23 H new ATOM 0 HG3 PRO A 26 4.100 -11.429 3.682 1.00 11.23 H new ATOM 0 HD2 PRO A 26 4.206 -8.809 4.499 1.00 33.33 H new ATOM 0 HD3 PRO A 26 2.889 -9.869 4.963 1.00 33.33 H new ATOM 390 N TYR A 27 7.196 -9.509 6.364 1.00 60.11 N ATOM 391 CA TYR A 27 8.621 -9.196 6.451 1.00 24.52 C ATOM 392 C TYR A 27 8.898 -7.900 7.211 1.00 12.21 C ATOM 393 O TYR A 27 9.979 -7.787 7.781 1.00 40.02 O ATOM 394 CB TYR A 27 9.226 -9.117 5.041 1.00 4.20 C ATOM 395 CG TYR A 27 9.090 -10.398 4.238 1.00 1.44 C ATOM 396 CD1 TYR A 27 9.973 -11.474 4.459 1.00 12.30 C ATOM 397 CD2 TYR A 27 8.105 -10.500 3.240 1.00 12.02 C ATOM 398 CE1 TYR A 27 9.871 -12.644 3.683 1.00 15.01 C ATOM 399 CE2 TYR A 27 7.966 -11.681 2.493 1.00 52.04 C ATOM 400 CZ TYR A 27 8.852 -12.760 2.708 1.00 35.43 C ATOM 401 OH TYR A 27 8.739 -13.912 1.995 1.00 2.00 O ATOM 0 H TYR A 27 6.682 -8.910 5.718 1.00 60.11 H new ATOM 0 HA TYR A 27 9.091 -10.002 7.015 1.00 24.52 H new ATOM 0 HB2 TYR A 27 8.745 -8.305 4.495 1.00 4.20 H new ATOM 0 HB3 TYR A 27 10.283 -8.863 5.124 1.00 4.20 H new ATOM 0 HD1 TYR A 27 10.730 -11.401 5.226 1.00 12.30 H new ATOM 0 HD2 TYR A 27 7.450 -9.663 3.046 1.00 12.02 H new ATOM 0 HE1 TYR A 27 10.571 -13.453 3.832 1.00 15.01 H new ATOM 0 HE2 TYR A 27 7.182 -11.764 1.755 1.00 52.04 H new ATOM 0 HH TYR A 27 7.991 -13.836 1.367 1.00 2.00 H new ATOM 411 N ALA A 28 7.966 -6.939 7.203 1.00 14.42 N ATOM 412 CA ALA A 28 8.148 -5.574 7.688 1.00 32.23 C ATOM 413 C ALA A 28 6.786 -5.010 8.087 1.00 1.10 C ATOM 414 O ALA A 28 5.840 -5.131 7.298 1.00 2.33 O ATOM 415 CB ALA A 28 8.688 -4.738 6.527 1.00 71.51 C ATOM 0 H ALA A 28 7.026 -7.103 6.842 1.00 14.42 H new ATOM 0 HA ALA A 28 8.828 -5.555 8.539 1.00 32.23 H new ATOM 0 HB1 ALA A 28 8.836 -3.710 6.857 1.00 71.51 H new ATOM 0 HB2 ALA A 28 9.639 -5.152 6.192 1.00 71.51 H new ATOM 0 HB3 ALA A 28 7.975 -4.756 5.703 1.00 71.51 H new ATOM 421 N VAL A 29 6.670 -4.365 9.250 1.00 0.41 N ATOM 422 CA VAL A 29 5.380 -4.100 9.884 1.00 22.50 C ATOM 423 C VAL A 29 5.070 -2.601 9.895 1.00 2.44 C ATOM 424 O VAL A 29 5.525 -1.859 10.764 1.00 4.04 O ATOM 425 CB VAL A 29 5.321 -4.786 11.267 1.00 72.51 C ATOM 426 CG1 VAL A 29 3.902 -4.724 11.837 1.00 21.32 C ATOM 427 CG2 VAL A 29 5.719 -6.270 11.200 1.00 51.05 C ATOM 0 H VAL A 29 7.469 -4.012 9.777 1.00 0.41 H new ATOM 0 HA VAL A 29 4.576 -4.543 9.297 1.00 22.50 H new ATOM 0 HB VAL A 29 6.026 -4.248 11.901 1.00 72.51 H new ATOM 0 HG11 VAL A 29 3.880 -5.212 12.811 1.00 21.32 H new ATOM 0 HG12 VAL A 29 3.599 -3.683 11.946 1.00 21.32 H new ATOM 0 HG13 VAL A 29 3.216 -5.233 11.160 1.00 21.32 H new ATOM 0 HG21 VAL A 29 5.662 -6.707 12.197 1.00 51.05 H new ATOM 0 HG22 VAL A 29 5.040 -6.799 10.532 1.00 51.05 H new ATOM 0 HG23 VAL A 29 6.738 -6.357 10.824 1.00 51.05 H new ATOM 437 N LEU A 30 4.295 -2.168 8.899 1.00 50.33 N ATOM 438 CA LEU A 30 3.811 -0.796 8.724 1.00 43.34 C ATOM 439 C LEU A 30 2.825 -0.365 9.821 1.00 24.13 C ATOM 440 O LEU A 30 2.282 -1.205 10.550 1.00 73.34 O ATOM 441 CB LEU A 30 3.077 -0.675 7.377 1.00 64.42 C ATOM 442 CG LEU A 30 3.882 -1.000 6.114 1.00 50.34 C ATOM 443 CD1 LEU A 30 2.915 -1.011 4.926 1.00 74.23 C ATOM 444 CD2 LEU A 30 5.020 -0.004 5.870 1.00 10.13 C ATOM 0 H LEU A 30 3.973 -2.792 8.159 1.00 50.33 H new ATOM 0 HA LEU A 30 4.690 -0.153 8.771 1.00 43.34 H new ATOM 0 HB2 LEU A 30 2.209 -1.333 7.404 1.00 64.42 H new ATOM 0 HB3 LEU A 30 2.701 0.344 7.286 1.00 64.42 H new ATOM 0 HG LEU A 30 4.353 -1.975 6.240 1.00 50.34 H new ATOM 0 HD11 LEU A 30 3.464 -1.240 4.012 1.00 74.23 H new ATOM 0 HD12 LEU A 30 2.148 -1.768 5.088 1.00 74.23 H new ATOM 0 HD13 LEU A 30 2.445 -0.032 4.831 1.00 74.23 H new ATOM 0 HD21 LEU A 30 5.558 -0.281 4.963 1.00 10.13 H new ATOM 0 HD22 LEU A 30 4.608 0.999 5.756 1.00 10.13 H new ATOM 0 HD23 LEU A 30 5.705 -0.020 6.717 1.00 10.13 H new ATOM 456 N SER A 31 2.500 0.934 9.851 1.00 73.45 N ATOM 457 CA SER A 31 1.547 1.555 10.766 1.00 62.45 C ATOM 458 C SER A 31 0.529 2.440 10.015 1.00 63.15 C ATOM 459 O SER A 31 0.704 2.772 8.838 1.00 21.10 O ATOM 460 CB SER A 31 2.337 2.332 11.822 1.00 32.21 C ATOM 461 OG SER A 31 3.218 1.487 12.545 1.00 12.23 O ATOM 0 H SER A 31 2.916 1.607 9.207 1.00 73.45 H new ATOM 0 HA SER A 31 0.951 0.788 11.261 1.00 62.45 H new ATOM 0 HB2 SER A 31 2.908 3.125 11.339 1.00 32.21 H new ATOM 0 HB3 SER A 31 1.645 2.813 12.513 1.00 32.21 H new ATOM 0 HG SER A 31 3.707 2.016 13.209 1.00 12.23 H new ATOM 467 N SER A 32 -0.577 2.796 10.667 1.00 74.12 N ATOM 468 CA SER A 32 -1.783 3.324 10.026 1.00 51.41 C ATOM 469 C SER A 32 -1.710 4.782 9.576 1.00 50.21 C ATOM 470 O SER A 32 -2.453 5.174 8.676 1.00 64.22 O ATOM 471 CB SER A 32 -2.952 3.149 10.990 1.00 1.33 C ATOM 472 OG SER A 32 -2.659 3.690 12.260 1.00 54.31 O ATOM 0 H SER A 32 -0.662 2.724 11.681 1.00 74.12 H new ATOM 0 HA SER A 32 -1.908 2.755 9.105 1.00 51.41 H new ATOM 0 HB2 SER A 32 -3.838 3.635 10.582 1.00 1.33 H new ATOM 0 HB3 SER A 32 -3.187 2.089 11.090 1.00 1.33 H new ATOM 0 HG SER A 32 -3.428 3.564 12.855 1.00 54.31 H new ATOM 478 N SER A 33 -0.862 5.605 10.184 1.00 42.31 N ATOM 479 CA SER A 33 -0.617 6.961 9.700 1.00 13.33 C ATOM 480 C SER A 33 0.134 6.905 8.378 1.00 14.40 C ATOM 481 O SER A 33 -0.062 7.771 7.524 1.00 3.33 O ATOM 482 CB SER A 33 0.182 7.797 10.711 1.00 53.02 C ATOM 483 OG SER A 33 0.221 9.169 10.323 1.00 5.31 O ATOM 0 H SER A 33 -0.330 5.356 11.018 1.00 42.31 H new ATOM 0 HA SER A 33 -1.585 7.443 9.562 1.00 13.33 H new ATOM 0 HB2 SER A 33 -0.269 7.708 11.699 1.00 53.02 H new ATOM 0 HB3 SER A 33 1.197 7.408 10.788 1.00 53.02 H new ATOM 0 HG SER A 33 0.734 9.681 10.983 1.00 5.31 H new ATOM 489 N ASN A 34 1.024 5.926 8.216 1.00 32.13 N ATOM 490 CA ASN A 34 1.858 5.820 7.033 1.00 63.24 C ATOM 491 C ASN A 34 0.995 5.464 5.828 1.00 53.33 C ATOM 492 O ASN A 34 1.266 5.953 4.734 1.00 44.04 O ATOM 493 CB ASN A 34 2.940 4.760 7.241 1.00 52.14 C ATOM 494 CG ASN A 34 3.933 5.166 8.321 1.00 24.30 C ATOM 495 OD1 ASN A 34 3.614 5.297 9.499 1.00 3.14 O ATOM 496 ND2 ASN A 34 5.176 5.358 7.937 1.00 53.42 N ATOM 0 H ASN A 34 1.182 5.189 8.903 1.00 32.13 H new ATOM 0 HA ASN A 34 2.344 6.779 6.853 1.00 63.24 H new ATOM 0 HB2 ASN A 34 2.473 3.814 7.514 1.00 52.14 H new ATOM 0 HB3 ASN A 34 3.471 4.594 6.304 1.00 52.14 H new ATOM 0 HD21 ASN A 34 5.887 5.619 8.621 1.00 53.42 H new ATOM 0 HD22 ASN A 34 5.430 5.246 6.955 1.00 53.42 H new ATOM 503 N VAL A 35 -0.018 4.615 6.019 1.00 24.32 N ATOM 504 CA VAL A 35 -0.851 4.092 4.947 1.00 53.22 C ATOM 505 C VAL A 35 -2.069 5.000 4.710 1.00 41.12 C ATOM 506 O VAL A 35 -2.637 5.572 5.640 1.00 53.31 O ATOM 507 CB VAL A 35 -1.185 2.613 5.239 1.00 64.21 C ATOM 508 CG1 VAL A 35 -1.976 1.962 4.095 1.00 44.15 C ATOM 509 CG2 VAL A 35 0.116 1.803 5.396 1.00 4.03 C ATOM 0 H VAL A 35 -0.282 4.269 6.941 1.00 24.32 H new ATOM 0 HA VAL A 35 -0.315 4.102 3.998 1.00 53.22 H new ATOM 0 HB VAL A 35 -1.783 2.604 6.150 1.00 64.21 H new ATOM 0 HG11 VAL A 35 -2.188 0.922 4.345 1.00 44.15 H new ATOM 0 HG12 VAL A 35 -2.913 2.499 3.949 1.00 44.15 H new ATOM 0 HG13 VAL A 35 -1.389 2.002 3.178 1.00 44.15 H new ATOM 0 HG21 VAL A 35 -0.127 0.761 5.602 1.00 4.03 H new ATOM 0 HG22 VAL A 35 0.697 1.865 4.476 1.00 4.03 H new ATOM 0 HG23 VAL A 35 0.700 2.209 6.222 1.00 4.03 H new ATOM 519 N ARG A 36 -2.505 5.142 3.453 1.00 2.40 N ATOM 520 CA ARG A 36 -3.561 6.065 3.037 1.00 70.14 C ATOM 521 C ARG A 36 -4.574 5.345 2.151 1.00 32.23 C ATOM 522 O ARG A 36 -4.411 5.279 0.929 1.00 2.10 O ATOM 523 CB ARG A 36 -2.910 7.322 2.415 1.00 34.31 C ATOM 524 CG ARG A 36 -3.470 8.630 3.000 1.00 25.10 C ATOM 525 CD ARG A 36 -4.662 9.176 2.206 1.00 74.05 C ATOM 526 NE ARG A 36 -4.252 10.226 1.250 1.00 61.32 N ATOM 527 CZ ARG A 36 -4.072 11.521 1.547 1.00 70.14 C ATOM 528 NH1 ARG A 36 -4.336 12.005 2.752 1.00 73.33 N ATOM 529 NH2 ARG A 36 -3.596 12.344 0.627 1.00 21.12 N ATOM 0 H ARG A 36 -2.121 4.602 2.678 1.00 2.40 H new ATOM 0 HA ARG A 36 -4.144 6.418 3.887 1.00 70.14 H new ATOM 0 HB2 ARG A 36 -1.833 7.287 2.578 1.00 34.31 H new ATOM 0 HB3 ARG A 36 -3.069 7.313 1.337 1.00 34.31 H new ATOM 0 HG2 ARG A 36 -3.775 8.459 4.032 1.00 25.10 H new ATOM 0 HG3 ARG A 36 -2.680 9.380 3.021 1.00 25.10 H new ATOM 0 HD2 ARG A 36 -5.143 8.360 1.666 1.00 74.05 H new ATOM 0 HD3 ARG A 36 -5.402 9.582 2.895 1.00 74.05 H new ATOM 0 HE ARG A 36 -4.093 9.942 0.283 1.00 61.32 H new ATOM 0 HH11 ARG A 36 -4.686 11.387 3.484 1.00 73.33 H new ATOM 0 HH12 ARG A 36 -4.189 12.995 2.947 1.00 73.33 H new ATOM 0 HH21 ARG A 36 -3.368 11.992 -0.303 1.00 21.12 H new ATOM 0 HH22 ARG A 36 -3.457 13.330 0.848 1.00 21.12 H new ATOM 543 N VAL A 37 -5.611 4.792 2.777 1.00 3.21 N ATOM 544 CA VAL A 37 -6.812 4.232 2.175 1.00 72.12 C ATOM 545 C VAL A 37 -7.881 5.331 2.141 1.00 13.32 C ATOM 546 O VAL A 37 -8.715 5.448 3.042 1.00 4.20 O ATOM 547 CB VAL A 37 -7.219 2.935 2.913 1.00 70.43 C ATOM 548 CG1 VAL A 37 -8.442 2.239 2.303 1.00 54.51 C ATOM 549 CG2 VAL A 37 -6.097 1.887 2.825 1.00 64.12 C ATOM 0 H VAL A 37 -5.632 4.720 3.794 1.00 3.21 H new ATOM 0 HA VAL A 37 -6.652 3.920 1.143 1.00 72.12 H new ATOM 0 HB VAL A 37 -7.432 3.259 3.932 1.00 70.43 H new ATOM 0 HG11 VAL A 37 -8.669 1.337 2.872 1.00 54.51 H new ATOM 0 HG12 VAL A 37 -9.298 2.913 2.335 1.00 54.51 H new ATOM 0 HG13 VAL A 37 -8.230 1.971 1.268 1.00 54.51 H new ATOM 0 HG21 VAL A 37 -6.402 0.982 3.350 1.00 64.12 H new ATOM 0 HG22 VAL A 37 -5.901 1.651 1.779 1.00 64.12 H new ATOM 0 HG23 VAL A 37 -5.191 2.284 3.283 1.00 64.12 H new ATOM 559 N ILE A 38 -7.850 6.147 1.085 1.00 45.41 N ATOM 560 CA ILE A 38 -8.859 7.145 0.747 1.00 1.40 C ATOM 561 C ILE A 38 -10.181 6.396 0.559 1.00 64.43 C ATOM 562 O ILE A 38 -10.248 5.476 -0.264 1.00 1.44 O ATOM 563 CB ILE A 38 -8.448 7.893 -0.552 1.00 70.43 C ATOM 564 CG1 ILE A 38 -7.026 8.495 -0.453 1.00 52.41 C ATOM 565 CG2 ILE A 38 -9.466 8.993 -0.893 1.00 11.22 C ATOM 566 CD1 ILE A 38 -6.606 9.320 -1.675 1.00 50.35 C ATOM 0 H ILE A 38 -7.083 6.126 0.413 1.00 45.41 H new ATOM 0 HA ILE A 38 -8.959 7.893 1.533 1.00 1.40 H new ATOM 0 HB ILE A 38 -8.439 7.155 -1.354 1.00 70.43 H new ATOM 0 HG12 ILE A 38 -6.972 9.127 0.434 1.00 52.41 H new ATOM 0 HG13 ILE A 38 -6.310 7.685 -0.312 1.00 52.41 H new ATOM 0 HG21 ILE A 38 -9.158 9.503 -1.806 1.00 11.22 H new ATOM 0 HG22 ILE A 38 -10.449 8.546 -1.041 1.00 11.22 H new ATOM 0 HG23 ILE A 38 -9.514 9.711 -0.074 1.00 11.22 H new ATOM 0 HD11 ILE A 38 -5.598 9.705 -1.525 1.00 50.35 H new ATOM 0 HD12 ILE A 38 -6.625 8.689 -2.564 1.00 50.35 H new ATOM 0 HD13 ILE A 38 -7.297 10.153 -1.807 1.00 50.35 H new ATOM 578 N LYS A 39 -11.230 6.746 1.299 1.00 14.53 N ATOM 579 CA LYS A 39 -12.555 6.211 1.090 1.00 24.00 C ATOM 580 C LYS A 39 -13.343 7.131 0.155 1.00 53.14 C ATOM 581 O LYS A 39 -13.032 8.324 0.094 1.00 45.13 O ATOM 582 CB LYS A 39 -13.236 6.097 2.452 1.00 30.40 C ATOM 583 CG LYS A 39 -12.439 5.518 3.632 1.00 73.44 C ATOM 584 CD LYS A 39 -11.794 4.157 3.366 1.00 33.34 C ATOM 585 CE LYS A 39 -11.121 3.564 4.622 1.00 62.43 C ATOM 586 NZ LYS A 39 -10.149 4.471 5.284 1.00 50.33 N ATOM 0 H LYS A 39 -11.174 7.416 2.066 1.00 14.53 H new ATOM 0 HA LYS A 39 -12.507 5.227 0.623 1.00 24.00 H new ATOM 0 HB2 LYS A 39 -13.571 7.094 2.738 1.00 30.40 H new ATOM 0 HB3 LYS A 39 -14.129 5.485 2.324 1.00 30.40 H new ATOM 0 HG2 LYS A 39 -11.658 6.227 3.907 1.00 73.44 H new ATOM 0 HG3 LYS A 39 -13.104 5.427 4.491 1.00 73.44 H new ATOM 0 HD2 LYS A 39 -12.553 3.464 3.003 1.00 33.34 H new ATOM 0 HD3 LYS A 39 -11.052 4.259 2.574 1.00 33.34 H new ATOM 0 HE2 LYS A 39 -11.895 3.294 5.341 1.00 62.43 H new ATOM 0 HE3 LYS A 39 -10.609 2.643 4.344 1.00 62.43 H new ATOM 0 HZ1 LYS A 39 -9.563 3.927 5.949 1.00 50.33 H new ATOM 0 HZ2 LYS A 39 -9.539 4.910 4.565 1.00 50.33 H new ATOM 0 HZ3 LYS A 39 -10.663 5.212 5.802 1.00 50.33 H new ATOM 600 N ASP A 40 -14.368 6.620 -0.532 1.00 13.21 N ATOM 601 CA ASP A 40 -15.357 7.450 -1.222 1.00 4.13 C ATOM 602 C ASP A 40 -16.274 8.164 -0.215 1.00 11.33 C ATOM 603 O ASP A 40 -16.198 7.894 0.992 1.00 61.42 O ATOM 604 CB ASP A 40 -16.201 6.580 -2.168 1.00 70.15 C ATOM 605 CG ASP A 40 -17.073 7.442 -3.088 1.00 54.15 C ATOM 606 OD1 ASP A 40 -16.644 8.559 -3.446 1.00 22.24 O ATOM 607 OD2 ASP A 40 -18.243 7.081 -3.333 1.00 73.33 O ATOM 0 H ASP A 40 -14.535 5.618 -0.625 1.00 13.21 H new ATOM 0 HA ASP A 40 -14.826 8.206 -1.800 1.00 4.13 H new ATOM 0 HB2 ASP A 40 -15.545 5.951 -2.770 1.00 70.15 H new ATOM 0 HB3 ASP A 40 -16.834 5.912 -1.584 1.00 70.15 H new ATOM 612 N LYS A 41 -17.184 9.029 -0.682 1.00 5.34 N ATOM 613 CA LYS A 41 -18.268 9.611 0.119 1.00 24.25 C ATOM 614 C LYS A 41 -19.659 9.150 -0.274 1.00 25.04 C ATOM 615 O LYS A 41 -20.584 9.348 0.513 1.00 3.25 O ATOM 616 CB LYS A 41 -18.225 11.147 0.096 1.00 25.24 C ATOM 617 CG LYS A 41 -16.929 11.687 0.699 1.00 52.51 C ATOM 618 CD LYS A 41 -17.074 13.072 1.338 1.00 52.21 C ATOM 619 CE LYS A 41 -17.178 14.226 0.335 1.00 63.11 C ATOM 620 NZ LYS A 41 -17.250 15.520 1.045 1.00 4.40 N ATOM 0 H LYS A 41 -17.187 9.351 -1.650 1.00 5.34 H new ATOM 0 HA LYS A 41 -18.083 9.243 1.128 1.00 24.25 H new ATOM 0 HB2 LYS A 41 -18.322 11.498 -0.931 1.00 25.24 H new ATOM 0 HB3 LYS A 41 -19.076 11.543 0.650 1.00 25.24 H new ATOM 0 HG2 LYS A 41 -16.570 10.986 1.452 1.00 52.51 H new ATOM 0 HG3 LYS A 41 -16.169 11.735 -0.081 1.00 52.51 H new ATOM 0 HD2 LYS A 41 -17.962 13.076 1.970 1.00 52.21 H new ATOM 0 HD3 LYS A 41 -16.218 13.249 1.989 1.00 52.21 H new ATOM 0 HE2 LYS A 41 -16.315 14.217 -0.331 1.00 63.11 H new ATOM 0 HE3 LYS A 41 -18.063 14.096 -0.288 1.00 63.11 H new ATOM 0 HZ1 LYS A 41 -17.320 16.293 0.352 1.00 4.40 H new ATOM 0 HZ2 LYS A 41 -18.087 15.531 1.662 1.00 4.40 H new ATOM 0 HZ3 LYS A 41 -16.394 15.648 1.621 1.00 4.40 H new ATOM 634 N GLN A 42 -19.856 8.530 -1.433 1.00 10.22 N ATOM 635 CA GLN A 42 -21.144 7.983 -1.810 1.00 22.01 C ATOM 636 C GLN A 42 -21.185 6.497 -1.474 1.00 42.51 C ATOM 637 O GLN A 42 -22.014 6.092 -0.666 1.00 72.20 O ATOM 638 CB GLN A 42 -21.434 8.346 -3.269 1.00 44.23 C ATOM 639 CG GLN A 42 -22.517 9.430 -3.387 1.00 4.41 C ATOM 640 CD GLN A 42 -22.160 10.833 -2.870 1.00 54.12 C ATOM 641 OE1 GLN A 42 -22.225 11.810 -3.612 1.00 30.03 O ATOM 642 NE2 GLN A 42 -21.845 11.034 -1.599 1.00 71.31 N ATOM 0 H GLN A 42 -19.126 8.395 -2.132 1.00 10.22 H new ATOM 0 HA GLN A 42 -21.961 8.421 -1.236 1.00 22.01 H new ATOM 0 HB2 GLN A 42 -20.518 8.695 -3.745 1.00 44.23 H new ATOM 0 HB3 GLN A 42 -21.753 7.454 -3.808 1.00 44.23 H new ATOM 0 HG2 GLN A 42 -22.796 9.517 -4.437 1.00 4.41 H new ATOM 0 HG3 GLN A 42 -23.401 9.086 -2.850 1.00 4.41 H new ATOM 0 HE21 GLN A 42 -21.783 10.243 -0.958 1.00 71.31 H new ATOM 0 HE22 GLN A 42 -21.664 11.980 -1.262 1.00 71.31 H new ATOM 651 N THR A 43 -20.261 5.684 -1.978 1.00 51.23 N ATOM 652 CA THR A 43 -20.318 4.235 -1.775 1.00 12.45 C ATOM 653 C THR A 43 -19.918 3.834 -0.353 1.00 73.31 C ATOM 654 O THR A 43 -20.133 2.696 0.063 1.00 3.15 O ATOM 655 CB THR A 43 -19.440 3.505 -2.798 1.00 74.34 C ATOM 656 OG1 THR A 43 -18.074 3.830 -2.632 1.00 11.34 O ATOM 657 CG2 THR A 43 -19.851 3.855 -4.225 1.00 22.04 C ATOM 0 H THR A 43 -19.464 6.001 -2.530 1.00 51.23 H new ATOM 0 HA THR A 43 -21.356 3.936 -1.921 1.00 12.45 H new ATOM 0 HB THR A 43 -19.581 2.438 -2.626 1.00 74.34 H new ATOM 0 HG1 THR A 43 -17.540 3.348 -3.297 1.00 11.34 H new ATOM 0 HG21 THR A 43 -19.211 3.323 -4.929 1.00 22.04 H new ATOM 0 HG22 THR A 43 -20.889 3.564 -4.386 1.00 22.04 H new ATOM 0 HG23 THR A 43 -19.747 4.929 -4.381 1.00 22.04 H new ATOM 665 N GLN A 44 -19.292 4.758 0.385 1.00 24.15 N ATOM 666 CA GLN A 44 -18.627 4.525 1.660 1.00 63.13 C ATOM 667 C GLN A 44 -17.353 3.662 1.536 1.00 10.33 C ATOM 668 O GLN A 44 -16.588 3.627 2.504 1.00 51.14 O ATOM 669 CB GLN A 44 -19.588 4.042 2.765 1.00 3.35 C ATOM 670 CG GLN A 44 -20.924 4.803 2.845 1.00 70.32 C ATOM 671 CD GLN A 44 -20.728 6.314 2.889 1.00 10.21 C ATOM 672 OE1 GLN A 44 -20.069 6.848 3.773 1.00 43.14 O ATOM 673 NE2 GLN A 44 -21.251 7.038 1.917 1.00 62.04 N ATOM 0 H GLN A 44 -19.236 5.733 0.090 1.00 24.15 H new ATOM 0 HA GLN A 44 -18.277 5.504 1.988 1.00 63.13 H new ATOM 0 HB2 GLN A 44 -19.799 2.985 2.605 1.00 3.35 H new ATOM 0 HB3 GLN A 44 -19.082 4.125 3.727 1.00 3.35 H new ATOM 0 HG2 GLN A 44 -21.539 4.544 1.983 1.00 70.32 H new ATOM 0 HG3 GLN A 44 -21.469 4.484 3.733 1.00 70.32 H new ATOM 0 HE21 GLN A 44 -21.799 6.588 1.184 1.00 62.04 H new ATOM 0 HE22 GLN A 44 -21.107 8.048 1.899 1.00 62.04 H new ATOM 682 N LEU A 45 -17.121 2.977 0.407 1.00 53.12 N ATOM 683 CA LEU A 45 -16.015 2.037 0.188 1.00 21.11 C ATOM 684 C LEU A 45 -14.692 2.796 0.063 1.00 41.52 C ATOM 685 O LEU A 45 -14.623 4.007 0.241 1.00 42.44 O ATOM 686 CB LEU A 45 -16.210 1.223 -1.110 1.00 43.34 C ATOM 687 CG LEU A 45 -17.562 0.518 -1.299 1.00 52.42 C ATOM 688 CD1 LEU A 45 -17.709 0.205 -2.787 1.00 20.34 C ATOM 689 CD2 LEU A 45 -17.711 -0.734 -0.426 1.00 13.51 C ATOM 0 H LEU A 45 -17.724 3.067 -0.411 1.00 53.12 H new ATOM 0 HA LEU A 45 -15.998 1.362 1.044 1.00 21.11 H new ATOM 0 HB2 LEU A 45 -16.057 1.894 -1.956 1.00 43.34 H new ATOM 0 HB3 LEU A 45 -15.425 0.468 -1.156 1.00 43.34 H new ATOM 0 HG LEU A 45 -18.366 1.176 -0.969 1.00 52.42 H new ATOM 0 HD11 LEU A 45 -18.660 -0.298 -2.961 1.00 20.34 H new ATOM 0 HD12 LEU A 45 -17.679 1.133 -3.359 1.00 20.34 H new ATOM 0 HD13 LEU A 45 -16.893 -0.444 -3.105 1.00 20.34 H new ATOM 0 HD21 LEU A 45 -18.686 -1.188 -0.604 1.00 13.51 H new ATOM 0 HD22 LEU A 45 -16.927 -1.448 -0.677 1.00 13.51 H new ATOM 0 HD23 LEU A 45 -17.626 -0.457 0.625 1.00 13.51 H new ATOM 701 N ASN A 46 -13.630 2.077 -0.287 1.00 35.22 N ATOM 702 CA ASN A 46 -12.335 2.587 -0.713 1.00 1.31 C ATOM 703 C ASN A 46 -12.363 3.118 -2.160 1.00 63.44 C ATOM 704 O ASN A 46 -13.415 3.174 -2.804 1.00 20.31 O ATOM 705 CB ASN A 46 -11.295 1.476 -0.520 1.00 43.11 C ATOM 706 CG ASN A 46 -11.349 0.361 -1.554 1.00 34.32 C ATOM 707 OD1 ASN A 46 -12.073 0.404 -2.538 1.00 74.04 O ATOM 708 ND2 ASN A 46 -10.551 -0.656 -1.349 1.00 54.21 N ATOM 0 H ASN A 46 -13.655 1.057 -0.279 1.00 35.22 H new ATOM 0 HA ASN A 46 -12.064 3.447 -0.100 1.00 1.31 H new ATOM 0 HB2 ASN A 46 -10.301 1.922 -0.540 1.00 43.11 H new ATOM 0 HB3 ASN A 46 -11.430 1.040 0.470 1.00 43.11 H new ATOM 0 HD21 ASN A 46 -10.527 -1.428 -2.015 1.00 54.21 H new ATOM 0 HD22 ASN A 46 -9.953 -0.677 -0.523 1.00 54.21 H new ATOM 715 N ARG A 47 -11.187 3.489 -2.686 1.00 73.33 N ATOM 716 CA ARG A 47 -10.974 4.036 -4.031 1.00 3.11 C ATOM 717 C ARG A 47 -10.198 3.093 -4.960 1.00 40.23 C ATOM 718 O ARG A 47 -10.152 3.362 -6.159 1.00 73.14 O ATOM 719 CB ARG A 47 -10.322 5.427 -3.948 1.00 31.02 C ATOM 720 CG ARG A 47 -11.280 6.494 -3.376 1.00 22.24 C ATOM 721 CD ARG A 47 -11.487 7.681 -4.321 1.00 42.24 C ATOM 722 NE ARG A 47 -12.141 7.274 -5.583 1.00 14.51 N ATOM 723 CZ ARG A 47 -12.426 8.067 -6.624 1.00 1.11 C ATOM 724 NH1 ARG A 47 -12.301 9.386 -6.540 1.00 11.23 N ATOM 725 NH2 ARG A 47 -12.832 7.498 -7.754 1.00 2.33 N ATOM 0 H ARG A 47 -10.317 3.412 -2.159 1.00 73.33 H new ATOM 0 HA ARG A 47 -11.958 4.140 -4.489 1.00 3.11 H new ATOM 0 HB2 ARG A 47 -9.431 5.371 -3.323 1.00 31.02 H new ATOM 0 HB3 ARG A 47 -9.995 5.732 -4.942 1.00 31.02 H new ATOM 0 HG2 ARG A 47 -12.245 6.032 -3.165 1.00 22.24 H new ATOM 0 HG3 ARG A 47 -10.886 6.857 -2.427 1.00 22.24 H new ATOM 0 HD2 ARG A 47 -12.095 8.438 -3.825 1.00 42.24 H new ATOM 0 HD3 ARG A 47 -10.524 8.140 -4.543 1.00 42.24 H new ATOM 0 HE ARG A 47 -12.401 6.291 -5.669 1.00 14.51 H new ATOM 0 HH11 ARG A 47 -11.983 9.814 -5.671 1.00 11.23 H new ATOM 0 HH12 ARG A 47 -12.523 9.972 -7.345 1.00 11.23 H new ATOM 0 HH21 ARG A 47 -12.919 6.483 -7.811 1.00 2.33 H new ATOM 0 HH22 ARG A 47 -13.056 8.076 -8.564 1.00 2.33 H new ATOM 739 N GLY A 48 -9.552 2.037 -4.451 1.00 0.20 N ATOM 740 CA GLY A 48 -8.928 1.001 -5.285 1.00 51.23 C ATOM 741 C GLY A 48 -7.424 1.161 -5.481 1.00 12.23 C ATOM 742 O GLY A 48 -6.812 0.508 -6.327 1.00 1.33 O ATOM 0 H GLY A 48 -9.447 1.876 -3.449 1.00 0.20 H new ATOM 0 HA2 GLY A 48 -9.120 0.027 -4.835 1.00 51.23 H new ATOM 0 HA3 GLY A 48 -9.410 1.002 -6.263 1.00 51.23 H new ATOM 746 N PHE A 49 -6.794 2.002 -4.672 1.00 75.01 N ATOM 747 CA PHE A 49 -5.352 2.158 -4.568 1.00 44.43 C ATOM 748 C PHE A 49 -5.045 2.470 -3.101 1.00 64.13 C ATOM 749 O PHE A 49 -5.974 2.727 -2.325 1.00 41.45 O ATOM 750 CB PHE A 49 -4.874 3.215 -5.581 1.00 13.04 C ATOM 751 CG PHE A 49 -5.712 4.483 -5.714 1.00 4.54 C ATOM 752 CD1 PHE A 49 -6.041 5.267 -4.590 1.00 2.14 C ATOM 753 CD2 PHE A 49 -6.154 4.895 -6.986 1.00 53.12 C ATOM 754 CE1 PHE A 49 -6.812 6.433 -4.730 1.00 21.44 C ATOM 755 CE2 PHE A 49 -6.898 6.080 -7.128 1.00 64.04 C ATOM 756 CZ PHE A 49 -7.236 6.847 -6.001 1.00 51.44 C ATOM 0 H PHE A 49 -7.300 2.623 -4.041 1.00 75.01 H new ATOM 0 HA PHE A 49 -4.799 1.257 -4.832 1.00 44.43 H new ATOM 0 HB2 PHE A 49 -3.859 3.508 -5.310 1.00 13.04 H new ATOM 0 HB3 PHE A 49 -4.819 2.742 -6.562 1.00 13.04 H new ATOM 0 HD1 PHE A 49 -5.697 4.968 -3.611 1.00 2.14 H new ATOM 0 HD2 PHE A 49 -5.921 4.299 -7.856 1.00 53.12 H new ATOM 0 HE1 PHE A 49 -7.079 7.011 -3.858 1.00 21.44 H new ATOM 0 HE2 PHE A 49 -7.211 6.402 -8.110 1.00 64.04 H new ATOM 0 HZ PHE A 49 -7.819 7.750 -6.112 1.00 51.44 H new ATOM 766 N ALA A 50 -3.792 2.432 -2.661 1.00 2.10 N ATOM 767 CA ALA A 50 -3.403 2.983 -1.365 1.00 33.23 C ATOM 768 C ALA A 50 -1.996 3.548 -1.478 1.00 43.33 C ATOM 769 O ALA A 50 -1.254 3.155 -2.373 1.00 51.05 O ATOM 770 CB ALA A 50 -3.534 1.940 -0.243 1.00 75.23 C ATOM 0 H ALA A 50 -3.021 2.022 -3.188 1.00 2.10 H new ATOM 0 HA ALA A 50 -4.081 3.791 -1.091 1.00 33.23 H new ATOM 0 HB1 ALA A 50 -3.236 2.387 0.706 1.00 75.23 H new ATOM 0 HB2 ALA A 50 -4.569 1.605 -0.177 1.00 75.23 H new ATOM 0 HB3 ALA A 50 -2.890 1.088 -0.461 1.00 75.23 H new ATOM 776 N PHE A 51 -1.639 4.464 -0.583 1.00 10.40 N ATOM 777 CA PHE A 51 -0.323 5.062 -0.490 1.00 54.04 C ATOM 778 C PHE A 51 0.288 4.593 0.818 1.00 71.53 C ATOM 779 O PHE A 51 -0.437 4.221 1.744 1.00 24.11 O ATOM 780 CB PHE A 51 -0.436 6.590 -0.467 1.00 44.45 C ATOM 781 CG PHE A 51 -1.062 7.221 -1.687 1.00 70.31 C ATOM 782 CD1 PHE A 51 -2.454 7.410 -1.770 1.00 10.11 C ATOM 783 CD2 PHE A 51 -0.233 7.641 -2.737 1.00 65.24 C ATOM 784 CE1 PHE A 51 -3.015 7.997 -2.919 1.00 65.23 C ATOM 785 CE2 PHE A 51 -0.792 8.224 -3.885 1.00 65.54 C ATOM 786 CZ PHE A 51 -2.181 8.396 -3.977 1.00 1.40 C ATOM 0 H PHE A 51 -2.286 4.819 0.121 1.00 10.40 H new ATOM 0 HA PHE A 51 0.287 4.772 -1.345 1.00 54.04 H new ATOM 0 HB2 PHE A 51 -1.019 6.879 0.408 1.00 44.45 H new ATOM 0 HB3 PHE A 51 0.563 7.007 -0.337 1.00 44.45 H new ATOM 0 HD1 PHE A 51 -3.091 7.105 -0.953 1.00 10.11 H new ATOM 0 HD2 PHE A 51 0.837 7.516 -2.662 1.00 65.24 H new ATOM 0 HE1 PHE A 51 -4.083 8.140 -2.988 1.00 65.23 H new ATOM 0 HE2 PHE A 51 -0.153 8.540 -4.697 1.00 65.54 H new ATOM 0 HZ PHE A 51 -2.611 8.837 -4.864 1.00 1.40 H new ATOM 796 N ILE A 52 1.606 4.685 0.902 1.00 74.25 N ATOM 797 CA ILE A 52 2.429 4.353 2.051 1.00 25.21 C ATOM 798 C ILE A 52 3.538 5.406 2.081 1.00 41.01 C ATOM 799 O ILE A 52 4.319 5.521 1.132 1.00 30.43 O ATOM 800 CB ILE A 52 3.012 2.934 1.916 1.00 62.45 C ATOM 801 CG1 ILE A 52 1.944 1.859 1.594 1.00 12.23 C ATOM 802 CG2 ILE A 52 3.850 2.547 3.148 1.00 73.12 C ATOM 803 CD1 ILE A 52 2.496 0.454 1.344 1.00 0.24 C ATOM 0 H ILE A 52 2.165 5.016 0.116 1.00 74.25 H new ATOM 0 HA ILE A 52 1.852 4.358 2.976 1.00 25.21 H new ATOM 0 HB ILE A 52 3.677 2.964 1.053 1.00 62.45 H new ATOM 0 HG12 ILE A 52 1.236 1.813 2.421 1.00 12.23 H new ATOM 0 HG13 ILE A 52 1.385 2.176 0.713 1.00 12.23 H new ATOM 0 HG21 ILE A 52 4.245 1.540 3.017 1.00 73.12 H new ATOM 0 HG22 ILE A 52 4.676 3.249 3.261 1.00 73.12 H new ATOM 0 HG23 ILE A 52 3.223 2.578 4.039 1.00 73.12 H new ATOM 0 HD11 ILE A 52 1.673 -0.227 1.127 1.00 0.24 H new ATOM 0 HD12 ILE A 52 3.180 0.478 0.496 1.00 0.24 H new ATOM 0 HD13 ILE A 52 3.028 0.109 2.230 1.00 0.24 H new ATOM 815 N GLN A 53 3.596 6.174 3.164 1.00 5.44 N ATOM 816 CA GLN A 53 4.529 7.263 3.378 1.00 1.40 C ATOM 817 C GLN A 53 5.452 6.796 4.498 1.00 53.25 C ATOM 818 O GLN A 53 5.163 7.005 5.678 1.00 22.41 O ATOM 819 CB GLN A 53 3.740 8.544 3.729 1.00 45.33 C ATOM 820 CG GLN A 53 3.700 9.600 2.615 1.00 44.11 C ATOM 821 CD GLN A 53 3.081 9.218 1.274 1.00 11.33 C ATOM 822 OE1 GLN A 53 3.377 9.850 0.269 1.00 22.43 O ATOM 823 NE2 GLN A 53 2.184 8.252 1.192 1.00 61.33 N ATOM 0 H GLN A 53 2.961 6.044 3.951 1.00 5.44 H new ATOM 0 HA GLN A 53 5.122 7.510 2.498 1.00 1.40 H new ATOM 0 HB2 GLN A 53 2.717 8.266 3.984 1.00 45.33 H new ATOM 0 HB3 GLN A 53 4.180 8.992 4.620 1.00 45.33 H new ATOM 0 HG2 GLN A 53 3.157 10.465 2.997 1.00 44.11 H new ATOM 0 HG3 GLN A 53 4.724 9.924 2.428 1.00 44.11 H new ATOM 0 HE21 GLN A 53 1.931 7.719 2.024 1.00 61.33 H new ATOM 0 HE22 GLN A 53 1.745 8.039 0.296 1.00 61.33 H new ATOM 832 N LEU A 54 6.519 6.075 4.159 1.00 54.01 N ATOM 833 CA LEU A 54 7.525 5.625 5.125 1.00 32.40 C ATOM 834 C LEU A 54 8.569 6.734 5.327 1.00 25.51 C ATOM 835 O LEU A 54 8.361 7.876 4.905 1.00 4.30 O ATOM 836 CB LEU A 54 8.113 4.258 4.697 1.00 61.32 C ATOM 837 CG LEU A 54 7.678 3.088 5.600 1.00 71.53 C ATOM 838 CD1 LEU A 54 8.139 1.768 4.972 1.00 4.33 C ATOM 839 CD2 LEU A 54 8.249 3.200 7.021 1.00 31.11 C ATOM 0 H LEU A 54 6.713 5.784 3.201 1.00 54.01 H new ATOM 0 HA LEU A 54 7.073 5.448 6.101 1.00 32.40 H new ATOM 0 HB2 LEU A 54 7.809 4.047 3.672 1.00 61.32 H new ATOM 0 HB3 LEU A 54 9.201 4.323 4.700 1.00 61.32 H new ATOM 0 HG LEU A 54 6.591 3.121 5.680 1.00 71.53 H new ATOM 0 HD11 LEU A 54 7.834 0.937 5.607 1.00 4.33 H new ATOM 0 HD12 LEU A 54 7.687 1.657 3.986 1.00 4.33 H new ATOM 0 HD13 LEU A 54 9.225 1.771 4.875 1.00 4.33 H new ATOM 0 HD21 LEU A 54 7.912 2.351 7.616 1.00 31.11 H new ATOM 0 HD22 LEU A 54 9.338 3.203 6.976 1.00 31.11 H new ATOM 0 HD23 LEU A 54 7.902 4.126 7.480 1.00 31.11 H new ATOM 851 N SER A 55 9.654 6.442 6.047 1.00 33.44 N ATOM 852 CA SER A 55 10.866 7.258 5.999 1.00 22.54 C ATOM 853 C SER A 55 11.517 7.098 4.623 1.00 61.55 C ATOM 854 O SER A 55 11.287 6.091 3.965 1.00 2.13 O ATOM 855 CB SER A 55 11.801 6.800 7.117 1.00 71.35 C ATOM 856 OG SER A 55 12.895 7.671 7.285 1.00 52.12 O ATOM 0 H SER A 55 9.716 5.640 6.674 1.00 33.44 H new ATOM 0 HA SER A 55 10.638 8.314 6.146 1.00 22.54 H new ATOM 0 HB2 SER A 55 11.243 6.735 8.051 1.00 71.35 H new ATOM 0 HB3 SER A 55 12.167 5.798 6.894 1.00 71.35 H new ATOM 0 HG SER A 55 13.466 7.342 8.010 1.00 52.12 H new ATOM 862 N THR A 56 12.358 8.049 4.225 1.00 11.01 N ATOM 863 CA THR A 56 13.087 8.110 2.962 1.00 70.22 C ATOM 864 C THR A 56 13.724 6.758 2.610 1.00 3.44 C ATOM 865 O THR A 56 13.315 6.063 1.678 1.00 72.13 O ATOM 866 CB THR A 56 14.144 9.231 3.098 1.00 62.14 C ATOM 867 OG1 THR A 56 14.816 9.147 4.358 1.00 14.33 O ATOM 868 CG2 THR A 56 13.498 10.614 3.028 1.00 41.01 C ATOM 0 H THR A 56 12.562 8.853 4.818 1.00 11.01 H new ATOM 0 HA THR A 56 12.407 8.334 2.140 1.00 70.22 H new ATOM 0 HB THR A 56 14.845 9.097 2.275 1.00 62.14 H new ATOM 0 HG1 THR A 56 15.481 9.864 4.422 1.00 14.33 H new ATOM 0 HG21 THR A 56 14.267 11.380 3.127 1.00 41.01 H new ATOM 0 HG22 THR A 56 12.990 10.730 2.070 1.00 41.01 H new ATOM 0 HG23 THR A 56 12.775 10.719 3.837 1.00 41.01 H new ATOM 876 N ILE A 57 14.730 6.381 3.394 1.00 22.10 N ATOM 877 CA ILE A 57 15.515 5.172 3.225 1.00 54.23 C ATOM 878 C ILE A 57 14.610 3.957 3.372 1.00 73.24 C ATOM 879 O ILE A 57 14.687 3.049 2.555 1.00 73.24 O ATOM 880 CB ILE A 57 16.679 5.170 4.237 1.00 53.15 C ATOM 881 CG1 ILE A 57 17.548 6.441 4.125 1.00 23.54 C ATOM 882 CG2 ILE A 57 17.555 3.912 4.123 1.00 51.11 C ATOM 883 CD1 ILE A 57 18.218 6.649 2.763 1.00 64.54 C ATOM 0 H ILE A 57 15.029 6.936 4.196 1.00 22.10 H new ATOM 0 HA ILE A 57 15.952 5.134 2.227 1.00 54.23 H new ATOM 0 HB ILE A 57 16.215 5.162 5.223 1.00 53.15 H new ATOM 0 HG12 ILE A 57 16.926 7.309 4.343 1.00 23.54 H new ATOM 0 HG13 ILE A 57 18.322 6.403 4.892 1.00 23.54 H new ATOM 0 HG21 ILE A 57 18.359 3.961 4.857 1.00 51.11 H new ATOM 0 HG22 ILE A 57 16.947 3.027 4.309 1.00 51.11 H new ATOM 0 HG23 ILE A 57 17.981 3.855 3.121 1.00 51.11 H new ATOM 0 HD11 ILE A 57 18.806 7.567 2.783 1.00 64.54 H new ATOM 0 HD12 ILE A 57 18.872 5.804 2.546 1.00 64.54 H new ATOM 0 HD13 ILE A 57 17.454 6.724 1.989 1.00 64.54 H new ATOM 895 N GLU A 58 13.755 3.934 4.391 1.00 50.13 N ATOM 896 CA GLU A 58 12.911 2.785 4.696 1.00 53.31 C ATOM 897 C GLU A 58 11.980 2.460 3.539 1.00 13.23 C ATOM 898 O GLU A 58 11.894 1.311 3.123 1.00 71.32 O ATOM 899 CB GLU A 58 12.089 3.052 5.958 1.00 12.34 C ATOM 900 CG GLU A 58 12.962 3.272 7.194 1.00 13.30 C ATOM 901 CD GLU A 58 13.742 2.011 7.562 1.00 4.10 C ATOM 902 OE1 GLU A 58 14.804 1.777 6.943 1.00 50.14 O ATOM 903 OE2 GLU A 58 13.250 1.248 8.426 1.00 4.41 O ATOM 0 H GLU A 58 13.628 4.718 5.032 1.00 50.13 H new ATOM 0 HA GLU A 58 13.564 1.928 4.862 1.00 53.31 H new ATOM 0 HB2 GLU A 58 11.462 3.930 5.800 1.00 12.34 H new ATOM 0 HB3 GLU A 58 11.420 2.210 6.136 1.00 12.34 H new ATOM 0 HG2 GLU A 58 13.658 4.090 7.008 1.00 13.30 H new ATOM 0 HG3 GLU A 58 12.336 3.571 8.034 1.00 13.30 H new ATOM 910 N ALA A 59 11.293 3.473 3.018 1.00 63.53 N ATOM 911 CA ALA A 59 10.364 3.350 1.907 1.00 24.34 C ATOM 912 C ALA A 59 11.056 2.770 0.670 1.00 24.31 C ATOM 913 O ALA A 59 10.456 1.952 -0.030 1.00 60.34 O ATOM 914 CB ALA A 59 9.763 4.724 1.602 1.00 32.21 C ATOM 0 H ALA A 59 11.372 4.427 3.369 1.00 63.53 H new ATOM 0 HA ALA A 59 9.567 2.661 2.184 1.00 24.34 H new ATOM 0 HB1 ALA A 59 9.065 4.639 0.769 1.00 32.21 H new ATOM 0 HB2 ALA A 59 9.236 5.094 2.481 1.00 32.21 H new ATOM 0 HB3 ALA A 59 10.560 5.419 1.338 1.00 32.21 H new ATOM 920 N ALA A 60 12.296 3.188 0.396 1.00 2.31 N ATOM 921 CA ALA A 60 13.111 2.631 -0.673 1.00 50.44 C ATOM 922 C ALA A 60 13.501 1.185 -0.347 1.00 61.25 C ATOM 923 O ALA A 60 13.189 0.275 -1.113 1.00 52.05 O ATOM 924 CB ALA A 60 14.347 3.512 -0.895 1.00 72.13 C ATOM 0 H ALA A 60 12.761 3.930 0.919 1.00 2.31 H new ATOM 0 HA ALA A 60 12.535 2.615 -1.598 1.00 50.44 H new ATOM 0 HB1 ALA A 60 14.955 3.091 -1.696 1.00 72.13 H new ATOM 0 HB2 ALA A 60 14.032 4.519 -1.169 1.00 72.13 H new ATOM 0 HB3 ALA A 60 14.934 3.553 0.022 1.00 72.13 H new ATOM 930 N GLN A 61 14.192 0.963 0.779 1.00 31.34 N ATOM 931 CA GLN A 61 14.687 -0.340 1.220 1.00 23.10 C ATOM 932 C GLN A 61 13.577 -1.377 1.140 1.00 33.14 C ATOM 933 O GLN A 61 13.722 -2.372 0.435 1.00 2.14 O ATOM 934 CB GLN A 61 15.245 -0.292 2.659 1.00 13.00 C ATOM 935 CG GLN A 61 16.618 0.379 2.779 1.00 11.21 C ATOM 936 CD GLN A 61 17.290 0.111 4.130 1.00 42.23 C ATOM 937 OE1 GLN A 61 18.383 -0.457 4.159 1.00 15.04 O ATOM 938 NE2 GLN A 61 16.722 0.499 5.261 1.00 23.34 N ATOM 0 H GLN A 61 14.428 1.714 1.428 1.00 31.34 H new ATOM 0 HA GLN A 61 15.503 -0.618 0.553 1.00 23.10 H new ATOM 0 HB2 GLN A 61 14.536 0.240 3.294 1.00 13.00 H new ATOM 0 HB3 GLN A 61 15.316 -1.310 3.043 1.00 13.00 H new ATOM 0 HG2 GLN A 61 17.265 0.020 1.978 1.00 11.21 H new ATOM 0 HG3 GLN A 61 16.506 1.454 2.640 1.00 11.21 H new ATOM 0 HE21 GLN A 61 15.817 0.970 5.242 1.00 23.34 H new ATOM 0 HE22 GLN A 61 17.189 0.327 6.151 1.00 23.34 H new ATOM 947 N LEU A 62 12.472 -1.122 1.839 1.00 40.41 N ATOM 948 CA LEU A 62 11.333 -2.010 1.929 1.00 20.24 C ATOM 949 C LEU A 62 10.825 -2.351 0.536 1.00 64.54 C ATOM 950 O LEU A 62 10.658 -3.530 0.228 1.00 13.04 O ATOM 951 CB LEU A 62 10.267 -1.373 2.838 1.00 52.01 C ATOM 952 CG LEU A 62 8.979 -2.179 3.072 1.00 12.01 C ATOM 953 CD1 LEU A 62 7.941 -2.018 1.962 1.00 52.31 C ATOM 954 CD2 LEU A 62 9.241 -3.655 3.380 1.00 21.43 C ATOM 0 H LEU A 62 12.349 -0.261 2.373 1.00 40.41 H new ATOM 0 HA LEU A 62 11.616 -2.958 2.386 1.00 20.24 H new ATOM 0 HB2 LEU A 62 10.723 -1.174 3.808 1.00 52.01 H new ATOM 0 HB3 LEU A 62 9.991 -0.409 2.412 1.00 52.01 H new ATOM 0 HG LEU A 62 8.543 -1.736 3.968 1.00 12.01 H new ATOM 0 HD11 LEU A 62 7.061 -2.616 2.198 1.00 52.31 H new ATOM 0 HD12 LEU A 62 7.656 -0.969 1.880 1.00 52.31 H new ATOM 0 HD13 LEU A 62 8.365 -2.354 1.016 1.00 52.31 H new ATOM 0 HD21 LEU A 62 8.292 -4.168 3.535 1.00 21.43 H new ATOM 0 HD22 LEU A 62 9.769 -4.113 2.544 1.00 21.43 H new ATOM 0 HD23 LEU A 62 9.849 -3.736 4.281 1.00 21.43 H new ATOM 966 N LEU A 63 10.580 -1.352 -0.319 1.00 34.42 N ATOM 967 CA LEU A 63 10.051 -1.616 -1.650 1.00 42.13 C ATOM 968 C LEU A 63 10.970 -2.566 -2.415 1.00 51.33 C ATOM 969 O LEU A 63 10.472 -3.535 -2.985 1.00 24.31 O ATOM 970 CB LEU A 63 9.833 -0.309 -2.428 1.00 2.01 C ATOM 971 CG LEU A 63 9.196 -0.565 -3.814 1.00 11.40 C ATOM 972 CD1 LEU A 63 8.003 0.357 -4.042 1.00 14.32 C ATOM 973 CD2 LEU A 63 10.203 -0.372 -4.952 1.00 3.01 C ATOM 0 H LEU A 63 10.739 -0.366 -0.111 1.00 34.42 H new ATOM 0 HA LEU A 63 9.080 -2.099 -1.540 1.00 42.13 H new ATOM 0 HB2 LEU A 63 9.191 0.355 -1.850 1.00 2.01 H new ATOM 0 HB3 LEU A 63 10.787 0.202 -2.555 1.00 2.01 H new ATOM 0 HG LEU A 63 8.864 -1.603 -3.818 1.00 11.40 H new ATOM 0 HD11 LEU A 63 7.572 0.158 -5.023 1.00 14.32 H new ATOM 0 HD12 LEU A 63 7.252 0.177 -3.273 1.00 14.32 H new ATOM 0 HD13 LEU A 63 8.331 1.395 -3.993 1.00 14.32 H new ATOM 0 HD21 LEU A 63 9.713 -0.562 -5.907 1.00 3.01 H new ATOM 0 HD22 LEU A 63 10.580 0.650 -4.934 1.00 3.01 H new ATOM 0 HD23 LEU A 63 11.033 -1.067 -4.825 1.00 3.01 H new ATOM 985 N GLN A 64 12.283 -2.306 -2.411 1.00 74.24 N ATOM 986 CA GLN A 64 13.251 -3.089 -3.175 1.00 53.03 C ATOM 987 C GLN A 64 13.202 -4.576 -2.823 1.00 22.40 C ATOM 988 O GLN A 64 13.400 -5.411 -3.708 1.00 44.14 O ATOM 989 CB GLN A 64 14.677 -2.551 -2.941 1.00 62.33 C ATOM 990 CG GLN A 64 14.942 -1.176 -3.564 1.00 41.05 C ATOM 991 CD GLN A 64 14.856 -1.247 -5.078 1.00 74.15 C ATOM 992 OE1 GLN A 64 15.808 -1.636 -5.752 1.00 0.11 O ATOM 993 NE2 GLN A 64 13.696 -0.955 -5.629 1.00 12.41 N ATOM 0 H GLN A 64 12.701 -1.545 -1.876 1.00 74.24 H new ATOM 0 HA GLN A 64 12.984 -2.987 -4.227 1.00 53.03 H new ATOM 0 HB2 GLN A 64 14.859 -2.492 -1.868 1.00 62.33 H new ATOM 0 HB3 GLN A 64 15.393 -3.265 -3.347 1.00 62.33 H new ATOM 0 HG2 GLN A 64 14.217 -0.455 -3.187 1.00 41.05 H new ATOM 0 HG3 GLN A 64 15.929 -0.821 -3.267 1.00 41.05 H new ATOM 0 HE21 GLN A 64 12.922 -0.634 -5.048 1.00 12.41 H new ATOM 0 HE22 GLN A 64 13.572 -1.050 -6.637 1.00 12.41 H new ATOM 1002 N ILE A 65 12.955 -4.898 -1.552 1.00 41.23 N ATOM 1003 CA ILE A 65 12.827 -6.266 -1.053 1.00 33.24 C ATOM 1004 C ILE A 65 11.680 -6.983 -1.774 1.00 14.23 C ATOM 1005 O ILE A 65 11.912 -7.910 -2.549 1.00 2.04 O ATOM 1006 CB ILE A 65 12.731 -6.280 0.496 1.00 71.44 C ATOM 1007 CG1 ILE A 65 13.935 -5.598 1.178 1.00 3.34 C ATOM 1008 CG2 ILE A 65 12.551 -7.691 1.051 1.00 3.12 C ATOM 1009 CD1 ILE A 65 13.671 -5.273 2.654 1.00 15.03 C ATOM 0 H ILE A 65 12.835 -4.195 -0.823 1.00 41.23 H new ATOM 0 HA ILE A 65 13.726 -6.837 -1.285 1.00 33.24 H new ATOM 0 HB ILE A 65 11.840 -5.698 0.733 1.00 71.44 H new ATOM 0 HG12 ILE A 65 14.806 -6.248 1.103 1.00 3.34 H new ATOM 0 HG13 ILE A 65 14.177 -4.678 0.645 1.00 3.34 H new ATOM 0 HG21 ILE A 65 12.489 -7.649 2.138 1.00 3.12 H new ATOM 0 HG22 ILE A 65 11.634 -8.125 0.652 1.00 3.12 H new ATOM 0 HG23 ILE A 65 13.401 -8.308 0.760 1.00 3.12 H new ATOM 0 HD11 ILE A 65 14.551 -4.795 3.084 1.00 15.03 H new ATOM 0 HD12 ILE A 65 12.817 -4.600 2.731 1.00 15.03 H new ATOM 0 HD13 ILE A 65 13.457 -6.194 3.197 1.00 15.03 H new ATOM 1021 N LEU A 66 10.440 -6.526 -1.581 1.00 22.14 N ATOM 1022 CA LEU A 66 9.241 -7.159 -2.142 1.00 40.23 C ATOM 1023 C LEU A 66 9.241 -7.191 -3.682 1.00 12.02 C ATOM 1024 O LEU A 66 8.413 -7.869 -4.291 1.00 51.01 O ATOM 1025 CB LEU A 66 7.967 -6.436 -1.666 1.00 0.03 C ATOM 1026 CG LEU A 66 7.567 -6.499 -0.175 1.00 11.31 C ATOM 1027 CD1 LEU A 66 7.536 -7.904 0.427 1.00 34.32 C ATOM 1028 CD2 LEU A 66 8.431 -5.638 0.733 1.00 15.00 C ATOM 0 H LEU A 66 10.237 -5.696 -1.024 1.00 22.14 H new ATOM 0 HA LEU A 66 9.253 -8.188 -1.782 1.00 40.23 H new ATOM 0 HB2 LEU A 66 8.070 -5.384 -1.932 1.00 0.03 H new ATOM 0 HB3 LEU A 66 7.132 -6.831 -2.245 1.00 0.03 H new ATOM 0 HG LEU A 66 6.551 -6.106 -0.208 1.00 11.31 H new ATOM 0 HD11 LEU A 66 7.245 -7.844 1.476 1.00 34.32 H new ATOM 0 HD12 LEU A 66 6.816 -8.516 -0.115 1.00 34.32 H new ATOM 0 HD13 LEU A 66 8.526 -8.355 0.350 1.00 34.32 H new ATOM 0 HD21 LEU A 66 8.087 -5.736 1.763 1.00 15.00 H new ATOM 0 HD22 LEU A 66 9.469 -5.964 0.664 1.00 15.00 H new ATOM 0 HD23 LEU A 66 8.357 -4.595 0.424 1.00 15.00 H new ATOM 1040 N GLN A 67 10.118 -6.416 -4.319 1.00 34.41 N ATOM 1041 CA GLN A 67 10.270 -6.321 -5.770 1.00 35.30 C ATOM 1042 C GLN A 67 11.390 -7.239 -6.290 1.00 35.13 C ATOM 1043 O GLN A 67 11.840 -7.048 -7.425 1.00 22.52 O ATOM 1044 CB GLN A 67 10.547 -4.852 -6.135 1.00 41.05 C ATOM 1045 CG GLN A 67 9.346 -3.928 -5.863 1.00 34.43 C ATOM 1046 CD GLN A 67 8.615 -3.429 -7.095 1.00 21.14 C ATOM 1047 OE1 GLN A 67 8.652 -4.007 -8.174 1.00 43.04 O ATOM 1048 NE2 GLN A 67 7.870 -2.356 -6.943 1.00 41.31 N ATOM 0 H GLN A 67 10.769 -5.812 -3.817 1.00 34.41 H new ATOM 0 HA GLN A 67 9.350 -6.657 -6.248 1.00 35.30 H new ATOM 0 HB2 GLN A 67 11.407 -4.498 -5.566 1.00 41.05 H new ATOM 0 HB3 GLN A 67 10.815 -4.790 -7.190 1.00 41.05 H new ATOM 0 HG2 GLN A 67 8.635 -4.461 -5.231 1.00 34.43 H new ATOM 0 HG3 GLN A 67 9.694 -3.066 -5.294 1.00 34.43 H new ATOM 0 HE21 GLN A 67 7.842 -1.878 -6.042 1.00 41.31 H new ATOM 0 HE22 GLN A 67 7.320 -2.002 -7.726 1.00 41.31 H new ATOM 1057 N ALA A 68 11.869 -8.198 -5.489 1.00 0.13 N ATOM 1058 CA ALA A 68 12.952 -9.101 -5.875 1.00 74.31 C ATOM 1059 C ALA A 68 12.776 -10.541 -5.372 1.00 64.33 C ATOM 1060 O ALA A 68 13.721 -11.342 -5.427 1.00 52.21 O ATOM 1061 CB ALA A 68 14.252 -8.506 -5.337 1.00 73.22 C ATOM 0 H ALA A 68 11.511 -8.368 -4.549 1.00 0.13 H new ATOM 0 HA ALA A 68 12.957 -9.181 -6.962 1.00 74.31 H new ATOM 0 HB1 ALA A 68 15.087 -9.153 -5.605 1.00 73.22 H new ATOM 0 HB2 ALA A 68 14.406 -7.517 -5.769 1.00 73.22 H new ATOM 0 HB3 ALA A 68 14.192 -8.422 -4.252 1.00 73.22 H new ATOM 1067 N LEU A 69 11.588 -10.922 -4.903 1.00 23.24 N ATOM 1068 CA LEU A 69 11.346 -12.234 -4.310 1.00 22.53 C ATOM 1069 C LEU A 69 9.860 -12.517 -4.261 1.00 60.14 C ATOM 1070 O LEU A 69 9.073 -11.613 -3.968 1.00 42.12 O ATOM 1071 CB LEU A 69 11.926 -12.312 -2.885 1.00 52.44 C ATOM 1072 CG LEU A 69 11.366 -11.246 -1.913 1.00 72.44 C ATOM 1073 CD1 LEU A 69 10.280 -11.795 -0.978 1.00 53.31 C ATOM 1074 CD2 LEU A 69 12.516 -10.668 -1.095 1.00 0.34 C ATOM 0 H LEU A 69 10.762 -10.324 -4.925 1.00 23.24 H new ATOM 0 HA LEU A 69 11.842 -12.980 -4.932 1.00 22.53 H new ATOM 0 HB2 LEU A 69 11.724 -13.302 -2.476 1.00 52.44 H new ATOM 0 HB3 LEU A 69 13.009 -12.205 -2.939 1.00 52.44 H new ATOM 0 HG LEU A 69 10.892 -10.470 -2.514 1.00 72.44 H new ATOM 0 HD11 LEU A 69 9.928 -10.999 -0.322 1.00 53.31 H new ATOM 0 HD12 LEU A 69 9.446 -12.172 -1.570 1.00 53.31 H new ATOM 0 HD13 LEU A 69 10.693 -12.605 -0.377 1.00 53.31 H new ATOM 0 HD21 LEU A 69 12.131 -9.916 -0.407 1.00 0.34 H new ATOM 0 HD22 LEU A 69 12.997 -11.466 -0.529 1.00 0.34 H new ATOM 0 HD23 LEU A 69 13.244 -10.209 -1.764 1.00 0.34 H new ATOM 1086 N HIS A 70 9.509 -13.794 -4.454 1.00 60.45 N ATOM 1087 CA HIS A 70 8.148 -14.309 -4.350 1.00 20.44 C ATOM 1088 C HIS A 70 7.142 -13.576 -5.260 1.00 23.33 C ATOM 1089 O HIS A 70 7.471 -12.582 -5.906 1.00 34.44 O ATOM 1090 CB HIS A 70 7.731 -14.441 -2.870 1.00 11.32 C ATOM 1091 CG HIS A 70 7.830 -15.851 -2.352 1.00 74.15 C ATOM 1092 ND1 HIS A 70 6.770 -16.705 -2.144 1.00 54.34 N ATOM 1093 CD2 HIS A 70 8.980 -16.517 -2.021 1.00 55.35 C ATOM 1094 CE1 HIS A 70 7.266 -17.873 -1.715 1.00 40.35 C ATOM 1095 NE2 HIS A 70 8.607 -17.812 -1.637 1.00 1.14 N ATOM 0 H HIS A 70 10.189 -14.516 -4.694 1.00 60.45 H new ATOM 0 HA HIS A 70 8.134 -15.321 -4.755 1.00 20.44 H new ATOM 0 HB2 HIS A 70 8.361 -13.792 -2.262 1.00 11.32 H new ATOM 0 HB3 HIS A 70 6.706 -14.089 -2.755 1.00 11.32 H new ATOM 0 HD2 HIS A 70 9.984 -16.120 -2.050 1.00 55.35 H new ATOM 0 HE1 HIS A 70 6.673 -18.741 -1.467 1.00 40.35 H new ATOM 0 HE2 HIS A 70 9.233 -18.565 -1.352 1.00 1.14 H new ATOM 1103 N PRO A 71 5.934 -14.113 -5.449 1.00 74.13 N ATOM 1104 CA PRO A 71 4.861 -13.348 -6.053 1.00 31.20 C ATOM 1105 C PRO A 71 4.398 -12.232 -5.097 1.00 31.22 C ATOM 1106 O PRO A 71 4.719 -12.259 -3.902 1.00 12.04 O ATOM 1107 CB PRO A 71 3.735 -14.359 -6.313 1.00 62.35 C ATOM 1108 CG PRO A 71 4.212 -15.687 -5.703 1.00 1.41 C ATOM 1109 CD PRO A 71 5.402 -15.304 -4.837 1.00 3.14 C ATOM 0 HA PRO A 71 5.173 -12.857 -6.975 1.00 31.20 H new ATOM 0 HB2 PRO A 71 2.802 -14.031 -5.854 1.00 62.35 H new ATOM 0 HB3 PRO A 71 3.545 -14.466 -7.381 1.00 62.35 H new ATOM 0 HG2 PRO A 71 3.426 -16.157 -5.112 1.00 1.41 H new ATOM 0 HG3 PRO A 71 4.498 -16.399 -6.477 1.00 1.41 H new ATOM 0 HD2 PRO A 71 5.098 -15.118 -3.807 1.00 3.14 H new ATOM 0 HD3 PRO A 71 6.145 -16.101 -4.811 1.00 3.14 H new ATOM 1117 N PRO A 72 3.563 -11.298 -5.575 1.00 40.22 N ATOM 1118 CA PRO A 72 2.714 -10.487 -4.719 1.00 73.21 C ATOM 1119 C PRO A 72 1.669 -11.350 -3.991 1.00 4.23 C ATOM 1120 O PRO A 72 1.299 -12.451 -4.425 1.00 64.32 O ATOM 1121 CB PRO A 72 2.078 -9.446 -5.643 1.00 43.02 C ATOM 1122 CG PRO A 72 2.117 -10.098 -7.021 1.00 72.34 C ATOM 1123 CD PRO A 72 3.364 -10.966 -6.973 1.00 22.50 C ATOM 0 HA PRO A 72 3.279 -10.002 -3.923 1.00 73.21 H new ATOM 0 HB2 PRO A 72 1.057 -9.215 -5.340 1.00 43.02 H new ATOM 0 HB3 PRO A 72 2.634 -8.509 -5.630 1.00 43.02 H new ATOM 0 HG2 PRO A 72 1.223 -10.692 -7.209 1.00 72.34 H new ATOM 0 HG3 PRO A 72 2.177 -9.354 -7.815 1.00 72.34 H new ATOM 0 HD2 PRO A 72 3.237 -11.866 -7.574 1.00 22.50 H new ATOM 0 HD3 PRO A 72 4.226 -10.434 -7.375 1.00 22.50 H new ATOM 1131 N LEU A 73 1.181 -10.826 -2.869 1.00 24.44 N ATOM 1132 CA LEU A 73 0.263 -11.438 -1.927 1.00 61.51 C ATOM 1133 C LEU A 73 -1.169 -11.075 -2.332 1.00 63.25 C ATOM 1134 O LEU A 73 -1.413 -10.176 -3.149 1.00 61.43 O ATOM 1135 CB LEU A 73 0.600 -10.878 -0.520 1.00 20.50 C ATOM 1136 CG LEU A 73 0.661 -11.849 0.677 1.00 20.41 C ATOM 1137 CD1 LEU A 73 -0.690 -12.464 1.040 1.00 60.25 C ATOM 1138 CD2 LEU A 73 1.700 -12.955 0.485 1.00 72.54 C ATOM 0 H LEU A 73 1.443 -9.885 -2.577 1.00 24.44 H new ATOM 0 HA LEU A 73 0.353 -12.524 -1.920 1.00 61.51 H new ATOM 0 HB2 LEU A 73 1.566 -10.378 -0.588 1.00 20.50 H new ATOM 0 HB3 LEU A 73 -0.139 -10.112 -0.285 1.00 20.50 H new ATOM 0 HG LEU A 73 0.969 -11.223 1.515 1.00 20.41 H new ATOM 0 HD11 LEU A 73 -0.568 -13.135 1.890 1.00 60.25 H new ATOM 0 HD12 LEU A 73 -1.392 -11.672 1.301 1.00 60.25 H new ATOM 0 HD13 LEU A 73 -1.075 -13.024 0.188 1.00 60.25 H new ATOM 0 HD21 LEU A 73 1.700 -13.609 1.357 1.00 72.54 H new ATOM 0 HD22 LEU A 73 1.454 -13.535 -0.404 1.00 72.54 H new ATOM 0 HD23 LEU A 73 2.688 -12.510 0.365 1.00 72.54 H new ATOM 1150 N THR A 74 -2.140 -11.709 -1.685 1.00 21.51 N ATOM 1151 CA THR A 74 -3.519 -11.268 -1.713 1.00 72.22 C ATOM 1152 C THR A 74 -4.214 -11.532 -0.373 1.00 71.34 C ATOM 1153 O THR A 74 -3.860 -12.469 0.338 1.00 75.34 O ATOM 1154 CB THR A 74 -4.258 -11.883 -2.907 1.00 11.12 C ATOM 1155 OG1 THR A 74 -5.552 -11.338 -2.932 1.00 14.31 O ATOM 1156 CG2 THR A 74 -4.307 -13.403 -2.935 1.00 32.23 C ATOM 0 H THR A 74 -1.986 -12.547 -1.125 1.00 21.51 H new ATOM 0 HA THR A 74 -3.540 -10.187 -1.854 1.00 72.22 H new ATOM 0 HB THR A 74 -3.690 -11.630 -3.802 1.00 11.12 H new ATOM 0 HG1 THR A 74 -5.497 -10.371 -3.079 1.00 14.31 H new ATOM 0 HG21 THR A 74 -4.852 -13.733 -3.819 1.00 32.23 H new ATOM 0 HG22 THR A 74 -3.292 -13.799 -2.965 1.00 32.23 H new ATOM 0 HG23 THR A 74 -4.812 -13.767 -2.041 1.00 32.23 H new ATOM 1164 N ILE A 75 -5.208 -10.699 -0.044 1.00 51.34 N ATOM 1165 CA ILE A 75 -6.029 -10.737 1.160 1.00 53.32 C ATOM 1166 C ILE A 75 -7.505 -10.462 0.811 1.00 52.51 C ATOM 1167 O ILE A 75 -8.251 -9.948 1.633 1.00 41.43 O ATOM 1168 CB ILE A 75 -5.506 -9.730 2.221 1.00 55.33 C ATOM 1169 CG1 ILE A 75 -3.992 -9.433 2.220 1.00 3.30 C ATOM 1170 CG2 ILE A 75 -5.887 -10.248 3.618 1.00 51.15 C ATOM 1171 CD1 ILE A 75 -3.542 -8.271 1.332 1.00 55.15 C ATOM 0 H ILE A 75 -5.474 -9.929 -0.658 1.00 51.34 H new ATOM 0 HA ILE A 75 -5.961 -11.735 1.592 1.00 53.32 H new ATOM 0 HB ILE A 75 -5.979 -8.785 1.953 1.00 55.33 H new ATOM 0 HG12 ILE A 75 -3.681 -9.225 3.244 1.00 3.30 H new ATOM 0 HG13 ILE A 75 -3.465 -10.333 1.903 1.00 3.30 H new ATOM 0 HG21 ILE A 75 -5.527 -9.552 4.375 1.00 51.15 H new ATOM 0 HG22 ILE A 75 -6.971 -10.334 3.691 1.00 51.15 H new ATOM 0 HG23 ILE A 75 -5.434 -11.226 3.780 1.00 51.15 H new ATOM 0 HD11 ILE A 75 -2.461 -8.152 1.408 1.00 55.15 H new ATOM 0 HD12 ILE A 75 -3.812 -8.479 0.297 1.00 55.15 H new ATOM 0 HD13 ILE A 75 -4.032 -7.353 1.658 1.00 55.15 H new ATOM 1183 N ASP A 76 -7.915 -10.604 -0.451 1.00 72.35 N ATOM 1184 CA ASP A 76 -9.347 -10.625 -0.826 1.00 44.44 C ATOM 1185 C ASP A 76 -9.499 -11.197 -2.239 1.00 3.54 C ATOM 1186 O ASP A 76 -10.307 -10.726 -3.031 1.00 11.30 O ATOM 1187 CB ASP A 76 -10.028 -9.238 -0.712 1.00 32.00 C ATOM 1188 CG ASP A 76 -11.527 -9.308 -0.412 1.00 12.23 C ATOM 1189 OD1 ASP A 76 -11.926 -10.128 0.442 1.00 35.41 O ATOM 1190 OD2 ASP A 76 -12.283 -8.473 -0.960 1.00 13.51 O ATOM 0 H ASP A 76 -7.278 -10.707 -1.241 1.00 72.35 H new ATOM 0 HA ASP A 76 -9.861 -11.268 -0.112 1.00 44.44 H new ATOM 0 HB2 ASP A 76 -9.536 -8.666 0.075 1.00 32.00 H new ATOM 0 HB3 ASP A 76 -9.879 -8.693 -1.644 1.00 32.00 H new ATOM 1195 N GLY A 77 -8.608 -12.107 -2.633 1.00 44.55 N ATOM 1196 CA GLY A 77 -8.508 -12.650 -3.981 1.00 35.02 C ATOM 1197 C GLY A 77 -8.097 -11.639 -5.050 1.00 14.51 C ATOM 1198 O GLY A 77 -8.123 -11.971 -6.236 1.00 14.14 O ATOM 0 H GLY A 77 -7.913 -12.498 -1.997 1.00 44.55 H new ATOM 0 HA2 GLY A 77 -7.786 -13.466 -3.976 1.00 35.02 H new ATOM 0 HA3 GLY A 77 -9.471 -13.078 -4.257 1.00 35.02 H new ATOM 1202 N LYS A 78 -7.600 -10.458 -4.673 1.00 4.11 N ATOM 1203 CA LYS A 78 -7.054 -9.455 -5.577 1.00 51.21 C ATOM 1204 C LYS A 78 -5.553 -9.334 -5.335 1.00 60.12 C ATOM 1205 O LYS A 78 -5.142 -9.009 -4.214 1.00 20.41 O ATOM 1206 CB LYS A 78 -7.818 -8.133 -5.409 1.00 42.52 C ATOM 1207 CG LYS A 78 -8.399 -7.792 -4.026 1.00 72.01 C ATOM 1208 CD LYS A 78 -7.400 -7.712 -2.872 1.00 11.43 C ATOM 1209 CE LYS A 78 -7.840 -6.943 -1.615 1.00 43.43 C ATOM 1210 NZ LYS A 78 -7.220 -7.461 -0.378 1.00 35.23 N ATOM 0 H LYS A 78 -7.568 -10.169 -3.695 1.00 4.11 H new ATOM 0 HA LYS A 78 -7.185 -9.749 -6.618 1.00 51.21 H new ATOM 0 HB2 LYS A 78 -7.147 -7.323 -5.695 1.00 42.52 H new ATOM 0 HB3 LYS A 78 -8.641 -8.133 -6.124 1.00 42.52 H new ATOM 0 HG2 LYS A 78 -8.915 -6.835 -4.098 1.00 72.01 H new ATOM 0 HG3 LYS A 78 -9.150 -8.541 -3.777 1.00 72.01 H new ATOM 0 HD2 LYS A 78 -7.145 -8.729 -2.574 1.00 11.43 H new ATOM 0 HD3 LYS A 78 -6.486 -7.252 -3.247 1.00 11.43 H new ATOM 0 HE2 LYS A 78 -7.583 -5.890 -1.731 1.00 43.43 H new ATOM 0 HE3 LYS A 78 -8.925 -6.998 -1.522 1.00 43.43 H new ATOM 0 HZ1 LYS A 78 -7.297 -6.747 0.374 1.00 35.23 H new ATOM 0 HZ2 LYS A 78 -7.709 -8.330 -0.082 1.00 35.23 H new ATOM 0 HZ3 LYS A 78 -6.217 -7.671 -0.554 1.00 35.23 H new ATOM 1224 N THR A 79 -4.716 -9.705 -6.296 1.00 22.10 N ATOM 1225 CA THR A 79 -3.271 -9.661 -6.115 1.00 53.43 C ATOM 1226 C THR A 79 -2.803 -8.199 -6.140 1.00 11.03 C ATOM 1227 O THR A 79 -3.072 -7.487 -7.111 1.00 63.43 O ATOM 1228 CB THR A 79 -2.568 -10.536 -7.168 1.00 60.24 C ATOM 1229 OG1 THR A 79 -3.396 -11.595 -7.625 1.00 54.11 O ATOM 1230 CG2 THR A 79 -1.334 -11.167 -6.530 1.00 21.53 C ATOM 0 H THR A 79 -5.015 -10.041 -7.212 1.00 22.10 H new ATOM 0 HA THR A 79 -3.000 -10.077 -5.145 1.00 53.43 H new ATOM 0 HB THR A 79 -2.317 -9.896 -8.014 1.00 60.24 H new ATOM 0 HG1 THR A 79 -2.912 -12.124 -8.293 1.00 54.11 H new ATOM 0 HG21 THR A 79 -0.824 -11.791 -7.264 1.00 21.53 H new ATOM 0 HG22 THR A 79 -0.659 -10.382 -6.189 1.00 21.53 H new ATOM 0 HG23 THR A 79 -1.636 -11.779 -5.681 1.00 21.53 H new ATOM 1238 N ILE A 80 -2.180 -7.718 -5.058 1.00 71.44 N ATOM 1239 CA ILE A 80 -1.811 -6.307 -4.930 1.00 64.31 C ATOM 1240 C ILE A 80 -0.643 -5.999 -5.870 1.00 34.11 C ATOM 1241 O ILE A 80 0.330 -6.747 -5.937 1.00 63.33 O ATOM 1242 CB ILE A 80 -1.482 -5.950 -3.464 1.00 71.34 C ATOM 1243 CG1 ILE A 80 -2.618 -6.296 -2.485 1.00 40.44 C ATOM 1244 CG2 ILE A 80 -1.093 -4.482 -3.256 1.00 71.31 C ATOM 1245 CD1 ILE A 80 -3.957 -5.606 -2.801 1.00 72.31 C ATOM 0 H ILE A 80 -1.920 -8.291 -4.255 1.00 71.44 H new ATOM 0 HA ILE A 80 -2.658 -5.685 -5.220 1.00 64.31 H new ATOM 0 HB ILE A 80 -0.615 -6.573 -3.243 1.00 71.34 H new ATOM 0 HG12 ILE A 80 -2.769 -7.375 -2.488 1.00 40.44 H new ATOM 0 HG13 ILE A 80 -2.310 -6.021 -1.476 1.00 40.44 H new ATOM 0 HG21 ILE A 80 -0.877 -4.309 -2.202 1.00 71.31 H new ATOM 0 HG22 ILE A 80 -0.209 -4.252 -3.850 1.00 71.31 H new ATOM 0 HG23 ILE A 80 -1.917 -3.840 -3.568 1.00 71.31 H new ATOM 0 HD11 ILE A 80 -4.703 -5.904 -2.064 1.00 72.31 H new ATOM 0 HD12 ILE A 80 -3.826 -4.524 -2.768 1.00 72.31 H new ATOM 0 HD13 ILE A 80 -4.292 -5.900 -3.795 1.00 72.31 H new ATOM 1257 N ASN A 81 -0.759 -4.882 -6.584 1.00 73.32 N ATOM 1258 CA ASN A 81 0.308 -4.266 -7.377 1.00 2.04 C ATOM 1259 C ASN A 81 1.041 -3.262 -6.506 1.00 62.11 C ATOM 1260 O ASN A 81 0.432 -2.719 -5.584 1.00 13.44 O ATOM 1261 CB ASN A 81 -0.311 -3.503 -8.555 1.00 54.23 C ATOM 1262 CG ASN A 81 -0.201 -4.267 -9.856 1.00 54.32 C ATOM 1263 OD1 ASN A 81 0.399 -3.796 -10.809 1.00 20.41 O ATOM 1264 ND2 ASN A 81 -0.801 -5.441 -9.912 1.00 41.14 N ATOM 0 H ASN A 81 -1.633 -4.358 -6.629 1.00 73.32 H new ATOM 0 HA ASN A 81 0.986 -5.038 -7.740 1.00 2.04 H new ATOM 0 HB2 ASN A 81 -1.361 -3.301 -8.343 1.00 54.23 H new ATOM 0 HB3 ASN A 81 0.184 -2.538 -8.660 1.00 54.23 H new ATOM 0 HD21 ASN A 81 -0.773 -5.988 -10.773 1.00 41.14 H new ATOM 0 HD22 ASN A 81 -1.293 -5.802 -9.095 1.00 41.14 H new ATOM 1271 N VAL A 82 2.281 -2.935 -6.862 1.00 22.43 N ATOM 1272 CA VAL A 82 3.136 -1.996 -6.143 1.00 53.03 C ATOM 1273 C VAL A 82 3.629 -0.956 -7.150 1.00 23.20 C ATOM 1274 O VAL A 82 3.794 -1.265 -8.328 1.00 11.40 O ATOM 1275 CB VAL A 82 4.304 -2.760 -5.476 1.00 40.11 C ATOM 1276 CG1 VAL A 82 5.114 -1.875 -4.518 1.00 74.53 C ATOM 1277 CG2 VAL A 82 3.816 -3.970 -4.668 1.00 72.23 C ATOM 0 H VAL A 82 2.733 -3.330 -7.687 1.00 22.43 H new ATOM 0 HA VAL A 82 2.592 -1.490 -5.346 1.00 53.03 H new ATOM 0 HB VAL A 82 4.933 -3.085 -6.305 1.00 40.11 H new ATOM 0 HG11 VAL A 82 5.921 -2.460 -4.077 1.00 74.53 H new ATOM 0 HG12 VAL A 82 5.535 -1.033 -5.068 1.00 74.53 H new ATOM 0 HG13 VAL A 82 4.462 -1.503 -3.728 1.00 74.53 H new ATOM 0 HG21 VAL A 82 4.670 -4.476 -4.218 1.00 72.23 H new ATOM 0 HG22 VAL A 82 3.138 -3.634 -3.883 1.00 72.23 H new ATOM 0 HG23 VAL A 82 3.292 -4.661 -5.328 1.00 72.23 H new ATOM 1287 N GLU A 83 3.871 0.266 -6.693 1.00 51.04 N ATOM 1288 CA GLU A 83 4.452 1.353 -7.454 1.00 60.14 C ATOM 1289 C GLU A 83 5.369 2.159 -6.549 1.00 42.41 C ATOM 1290 O GLU A 83 5.273 2.092 -5.323 1.00 13.33 O ATOM 1291 CB GLU A 83 3.345 2.267 -7.994 1.00 42.41 C ATOM 1292 CG GLU A 83 2.857 1.868 -9.383 1.00 71.23 C ATOM 1293 CD GLU A 83 3.789 2.383 -10.482 1.00 12.21 C ATOM 1294 OE1 GLU A 83 5.000 2.078 -10.473 1.00 0.02 O ATOM 1295 OE2 GLU A 83 3.322 3.199 -11.311 1.00 40.11 O ATOM 0 H GLU A 83 3.655 0.534 -5.733 1.00 51.04 H new ATOM 0 HA GLU A 83 5.018 0.944 -8.291 1.00 60.14 H new ATOM 0 HB2 GLU A 83 2.502 2.253 -7.303 1.00 42.41 H new ATOM 0 HB3 GLU A 83 3.714 3.292 -8.027 1.00 42.41 H new ATOM 0 HG2 GLU A 83 2.786 0.782 -9.446 1.00 71.23 H new ATOM 0 HG3 GLU A 83 1.854 2.262 -9.543 1.00 71.23 H new ATOM 1302 N PHE A 84 6.208 2.979 -7.172 1.00 40.21 N ATOM 1303 CA PHE A 84 7.249 3.766 -6.523 1.00 55.34 C ATOM 1304 C PHE A 84 7.257 5.158 -7.154 1.00 52.42 C ATOM 1305 O PHE A 84 7.947 5.389 -8.153 1.00 0.20 O ATOM 1306 CB PHE A 84 8.594 3.030 -6.668 1.00 42.01 C ATOM 1307 CG PHE A 84 9.781 3.655 -5.951 1.00 74.25 C ATOM 1308 CD1 PHE A 84 9.726 3.944 -4.574 1.00 51.31 C ATOM 1309 CD2 PHE A 84 10.974 3.897 -6.656 1.00 23.52 C ATOM 1310 CE1 PHE A 84 10.858 4.463 -3.917 1.00 14.04 C ATOM 1311 CE2 PHE A 84 12.107 4.397 -5.994 1.00 24.51 C ATOM 1312 CZ PHE A 84 12.050 4.680 -4.620 1.00 2.01 C ATOM 0 H PHE A 84 6.180 3.119 -8.182 1.00 40.21 H new ATOM 0 HA PHE A 84 7.065 3.886 -5.455 1.00 55.34 H new ATOM 0 HB2 PHE A 84 8.469 2.012 -6.300 1.00 42.01 H new ATOM 0 HB3 PHE A 84 8.833 2.959 -7.729 1.00 42.01 H new ATOM 0 HD1 PHE A 84 8.815 3.767 -4.021 1.00 51.31 H new ATOM 0 HD2 PHE A 84 11.019 3.696 -7.716 1.00 23.52 H new ATOM 0 HE1 PHE A 84 10.807 4.695 -2.864 1.00 14.04 H new ATOM 0 HE2 PHE A 84 13.023 4.564 -6.542 1.00 24.51 H new ATOM 0 HZ PHE A 84 12.920 5.063 -4.108 1.00 2.01 H new ATOM 1322 N ALA A 85 6.453 6.090 -6.629 1.00 34.43 N ATOM 1323 CA ALA A 85 6.452 7.469 -7.117 1.00 41.15 C ATOM 1324 C ALA A 85 7.422 8.266 -6.256 1.00 41.35 C ATOM 1325 O ALA A 85 7.038 8.984 -5.329 1.00 10.33 O ATOM 1326 CB ALA A 85 5.056 8.082 -7.122 1.00 33.34 C ATOM 0 H ALA A 85 5.797 5.912 -5.868 1.00 34.43 H new ATOM 0 HA ALA A 85 6.775 7.489 -8.158 1.00 41.15 H new ATOM 0 HB1 ALA A 85 5.109 9.106 -7.492 1.00 33.34 H new ATOM 0 HB2 ALA A 85 4.403 7.496 -7.769 1.00 33.34 H new ATOM 0 HB3 ALA A 85 4.656 8.084 -6.108 1.00 33.34 H new ATOM 1332 N LYS A 86 8.706 8.080 -6.523 1.00 62.43 N ATOM 1333 CA LYS A 86 9.767 8.667 -5.741 1.00 21.31 C ATOM 1334 C LYS A 86 9.885 10.143 -6.115 1.00 32.31 C ATOM 1335 O LYS A 86 10.315 10.467 -7.225 1.00 30.54 O ATOM 1336 CB LYS A 86 11.036 7.849 -6.010 1.00 24.54 C ATOM 1337 CG LYS A 86 12.093 8.016 -4.923 1.00 1.33 C ATOM 1338 CD LYS A 86 12.595 9.451 -4.813 1.00 41.01 C ATOM 1339 CE LYS A 86 13.915 9.492 -4.067 1.00 32.51 C ATOM 1340 NZ LYS A 86 14.495 10.836 -4.152 1.00 73.12 N ATOM 0 H LYS A 86 9.037 7.509 -7.300 1.00 62.43 H new ATOM 0 HA LYS A 86 9.578 8.638 -4.668 1.00 21.31 H new ATOM 0 HB2 LYS A 86 10.772 6.795 -6.093 1.00 24.54 H new ATOM 0 HB3 LYS A 86 11.458 8.148 -6.969 1.00 24.54 H new ATOM 0 HG2 LYS A 86 11.676 7.706 -3.965 1.00 1.33 H new ATOM 0 HG3 LYS A 86 12.934 7.355 -5.134 1.00 1.33 H new ATOM 0 HD2 LYS A 86 12.719 9.877 -5.809 1.00 41.01 H new ATOM 0 HD3 LYS A 86 11.857 10.063 -4.294 1.00 41.01 H new ATOM 0 HE2 LYS A 86 13.761 9.218 -3.023 1.00 32.51 H new ATOM 0 HE3 LYS A 86 14.605 8.761 -4.490 1.00 32.51 H new ATOM 0 HZ1 LYS A 86 15.438 10.836 -3.712 1.00 73.12 H new ATOM 0 HZ2 LYS A 86 14.579 11.116 -5.150 1.00 73.12 H new ATOM 0 HZ3 LYS A 86 13.881 11.511 -3.654 1.00 73.12 H new ATOM 1354 N GLY A 87 9.528 11.045 -5.200 1.00 45.23 N ATOM 1355 CA GLY A 87 9.758 12.474 -5.362 1.00 1.33 C ATOM 1356 C GLY A 87 11.235 12.844 -5.178 1.00 30.20 C ATOM 1357 O GLY A 87 11.605 13.392 -4.138 1.00 51.42 O ATOM 0 H GLY A 87 9.069 10.800 -4.323 1.00 45.23 H new ATOM 0 HA2 GLY A 87 9.428 12.784 -6.353 1.00 1.33 H new ATOM 0 HA3 GLY A 87 9.154 13.022 -4.639 1.00 1.33 H new ATOM 1361 N SER A 88 12.094 12.532 -6.155 1.00 70.33 N ATOM 1362 CA SER A 88 13.379 13.213 -6.312 1.00 23.41 C ATOM 1363 C SER A 88 13.089 14.648 -6.715 1.00 54.01 C ATOM 1364 O SER A 88 13.606 15.575 -6.052 1.00 13.03 O ATOM 1365 CB SER A 88 14.246 12.546 -7.369 1.00 3.41 C ATOM 1366 OG SER A 88 14.788 11.315 -6.936 1.00 25.10 O ATOM 0 H SER A 88 11.919 11.808 -6.851 1.00 70.33 H new ATOM 0 HA SER A 88 13.929 13.168 -5.372 1.00 23.41 H new ATOM 0 HB2 SER A 88 13.652 12.380 -8.268 1.00 3.41 H new ATOM 0 HB3 SER A 88 15.058 13.219 -7.644 1.00 3.41 H new ATOM 0 HG SER A 88 15.696 11.459 -6.595 1.00 25.10 H new TER 1372 SER A 88