USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1048 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 112 LYS NZ :NH3+ -162:sc= -0.0958 (180deg=-0.299) USER MOD Set 1.2: A 116 GLN : amide:sc= -0.0497 X(o=-0.15,f=-0.26) USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= 0.433 USER MOD Set 2.2: A 97 THR OG1 : rot -126:sc= 0.51 USER MOD Single : A 6 SER OG : rot 43:sc= 0.118 USER MOD Single : A 9 SER OG : rot 180:sc= -0.228 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.519 K(o=0.52,f=-5.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-9.6!) USER MOD Single : A 38 SER OG : rot -66:sc= 0.105 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -169:sc= -1.6 USER MOD Single : A 59 GLN : amide:sc=-0.00766 K(o=-0.0077,f=-1.3) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.79 K(o=-0.79,f=-6.2!) USER MOD Single : A 67 SER OG : rot 93:sc= 0.767 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.319 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 80 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.446 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.33 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.438 USER MOD Single : A 89 HIS : +bothHN:sc= -2.1! C(o=-2.1!,f=-5.5!) USER MOD Single : A 90 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.5) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.2) USER MOD Single : A 109 ASN :FLIP amide:sc= 1.08 F(o=-0.14,f=1.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 125 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.09) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 22.482 4.069 -6.670 1.00 13.00 N ATOM 2 CA GLY A 2 21.672 4.108 -5.468 1.00 45.03 C ATOM 3 C GLY A 2 21.097 5.486 -5.200 1.00 71.32 C ATOM 4 O GLY A 2 21.327 6.065 -4.138 1.00 41.41 O ATOM 0 HA2 GLY A 2 20.858 3.389 -5.559 1.00 45.03 H new ATOM 0 HA3 GLY A 2 22.277 3.798 -4.616 1.00 45.03 H new ATOM 8 N ALA A 3 20.351 6.012 -6.165 1.00 52.12 N ATOM 9 CA ALA A 3 19.742 7.330 -6.027 1.00 32.32 C ATOM 10 C ALA A 3 18.230 7.257 -6.206 1.00 32.10 C ATOM 11 O ALA A 3 17.478 7.908 -5.480 1.00 14.22 O ATOM 12 CB ALA A 3 20.349 8.298 -7.033 1.00 70.12 C ATOM 0 H ALA A 3 20.153 5.546 -7.051 1.00 52.12 H new ATOM 0 HA ALA A 3 19.945 7.694 -5.020 1.00 32.32 H new ATOM 0 HB1 ALA A 3 19.886 9.278 -6.920 1.00 70.12 H new ATOM 0 HB2 ALA A 3 21.421 8.381 -6.857 1.00 70.12 H new ATOM 0 HB3 ALA A 3 20.175 7.929 -8.044 1.00 70.12 H new ATOM 18 N ARG A 4 17.791 6.462 -7.176 1.00 44.22 N ATOM 19 CA ARG A 4 16.367 6.307 -7.450 1.00 63.13 C ATOM 20 C ARG A 4 15.673 5.560 -6.314 1.00 1.15 C ATOM 21 O ARG A 4 16.150 4.522 -5.859 1.00 70.23 O ATOM 22 CB ARG A 4 16.159 5.560 -8.769 1.00 43.04 C ATOM 23 CG ARG A 4 14.892 5.967 -9.505 1.00 63.23 C ATOM 24 CD ARG A 4 15.122 6.045 -11.006 1.00 11.43 C ATOM 25 NE ARG A 4 14.840 4.775 -11.670 1.00 14.44 N ATOM 26 CZ ARG A 4 15.022 4.570 -12.971 1.00 74.45 C ATOM 27 NH1 ARG A 4 15.484 5.545 -13.741 1.00 45.53 N ATOM 28 NH2 ARG A 4 14.743 3.387 -13.502 1.00 70.41 N ATOM 0 H ARG A 4 18.400 5.916 -7.785 1.00 44.22 H new ATOM 0 HA ARG A 4 15.927 7.301 -7.530 1.00 63.13 H new ATOM 0 HB2 ARG A 4 17.018 5.736 -9.416 1.00 43.04 H new ATOM 0 HB3 ARG A 4 16.125 4.489 -8.569 1.00 43.04 H new ATOM 0 HG2 ARG A 4 14.100 5.248 -9.294 1.00 63.23 H new ATOM 0 HG3 ARG A 4 14.551 6.935 -9.137 1.00 63.23 H new ATOM 0 HD2 ARG A 4 14.488 6.824 -11.430 1.00 11.43 H new ATOM 0 HD3 ARG A 4 16.155 6.334 -11.200 1.00 11.43 H new ATOM 0 HE ARG A 4 14.484 4.004 -11.105 1.00 14.44 H new ATOM 0 HH11 ARG A 4 15.701 6.456 -13.336 1.00 45.53 H new ATOM 0 HH12 ARG A 4 15.623 5.385 -14.739 1.00 45.53 H new ATOM 0 HH21 ARG A 4 14.389 2.634 -12.912 1.00 70.41 H new ATOM 0 HH22 ARG A 4 14.883 3.230 -14.500 1.00 70.41 H new ATOM 42 N ALA A 5 14.544 6.097 -5.864 1.00 62.32 N ATOM 43 CA ALA A 5 13.783 5.481 -4.784 1.00 64.41 C ATOM 44 C ALA A 5 12.844 4.404 -5.318 1.00 52.22 C ATOM 45 O ALA A 5 13.006 3.221 -5.019 1.00 53.02 O ATOM 46 CB ALA A 5 12.998 6.537 -4.022 1.00 42.24 C ATOM 0 H ALA A 5 14.136 6.957 -6.230 1.00 62.32 H new ATOM 0 HA ALA A 5 14.488 5.006 -4.102 1.00 64.41 H new ATOM 0 HB1 ALA A 5 12.435 6.062 -3.219 1.00 42.24 H new ATOM 0 HB2 ALA A 5 13.687 7.268 -3.599 1.00 42.24 H new ATOM 0 HB3 ALA A 5 12.309 7.039 -4.701 1.00 42.24 H new ATOM 52 N SER A 6 11.861 4.823 -6.109 1.00 71.50 N ATOM 53 CA SER A 6 10.893 3.894 -6.681 1.00 3.01 C ATOM 54 C SER A 6 10.207 4.506 -7.898 1.00 72.32 C ATOM 55 O SER A 6 10.495 4.139 -9.038 1.00 51.52 O ATOM 56 CB SER A 6 9.848 3.504 -5.634 1.00 40.42 C ATOM 57 OG SER A 6 10.118 2.221 -5.096 1.00 3.52 O ATOM 0 H SER A 6 11.714 5.799 -6.368 1.00 71.50 H new ATOM 0 HA SER A 6 11.429 3.000 -6.999 1.00 3.01 H new ATOM 0 HB2 SER A 6 9.838 4.243 -4.833 1.00 40.42 H new ATOM 0 HB3 SER A 6 8.856 3.511 -6.086 1.00 40.42 H new ATOM 0 HG SER A 6 11.077 2.138 -4.912 1.00 3.52 H new ATOM 63 N VAL A 7 9.296 5.441 -7.648 1.00 40.03 N ATOM 64 CA VAL A 7 8.568 6.107 -8.722 1.00 35.40 C ATOM 65 C VAL A 7 9.070 7.532 -8.926 1.00 71.53 C ATOM 66 O VAL A 7 9.144 8.020 -10.054 1.00 41.44 O ATOM 67 CB VAL A 7 7.055 6.143 -8.436 1.00 53.12 C ATOM 68 CG1 VAL A 7 6.307 6.771 -9.601 1.00 24.11 C ATOM 69 CG2 VAL A 7 6.534 4.743 -8.149 1.00 52.14 C ATOM 0 H VAL A 7 9.044 5.755 -6.711 1.00 40.03 H new ATOM 0 HA VAL A 7 8.745 5.530 -9.629 1.00 35.40 H new ATOM 0 HB VAL A 7 6.884 6.757 -7.552 1.00 53.12 H new ATOM 0 HG11 VAL A 7 5.240 6.788 -9.381 1.00 24.11 H new ATOM 0 HG12 VAL A 7 6.662 7.790 -9.754 1.00 24.11 H new ATOM 0 HG13 VAL A 7 6.482 6.186 -10.504 1.00 24.11 H new ATOM 0 HG21 VAL A 7 5.463 4.787 -7.949 1.00 52.14 H new ATOM 0 HG22 VAL A 7 6.716 4.103 -9.012 1.00 52.14 H new ATOM 0 HG23 VAL A 7 7.049 4.334 -7.280 1.00 52.14 H new ATOM 79 N LEU A 8 9.416 8.194 -7.827 1.00 1.52 N ATOM 80 CA LEU A 8 9.912 9.564 -7.884 1.00 53.45 C ATOM 81 C LEU A 8 11.227 9.699 -7.123 1.00 15.33 C ATOM 82 O LEU A 8 11.371 9.183 -6.015 1.00 24.03 O ATOM 83 CB LEU A 8 8.874 10.528 -7.306 1.00 52.24 C ATOM 84 CG LEU A 8 7.510 10.538 -7.996 1.00 51.24 C ATOM 85 CD1 LEU A 8 6.532 11.417 -7.232 1.00 70.21 C ATOM 86 CD2 LEU A 8 7.643 11.011 -9.436 1.00 70.04 C ATOM 0 H LEU A 8 9.362 7.804 -6.886 1.00 1.52 H new ATOM 0 HA LEU A 8 10.091 9.816 -8.929 1.00 53.45 H new ATOM 0 HB2 LEU A 8 8.725 10.282 -6.255 1.00 52.24 H new ATOM 0 HB3 LEU A 8 9.285 11.537 -7.342 1.00 52.24 H new ATOM 0 HG LEU A 8 7.121 9.520 -8.004 1.00 51.24 H new ATOM 0 HD11 LEU A 8 5.567 11.412 -7.738 1.00 70.21 H new ATOM 0 HD12 LEU A 8 6.413 11.033 -6.219 1.00 70.21 H new ATOM 0 HD13 LEU A 8 6.915 12.437 -7.191 1.00 70.21 H new ATOM 0 HD21 LEU A 8 6.662 11.011 -9.911 1.00 70.04 H new ATOM 0 HD22 LEU A 8 8.054 12.021 -9.451 1.00 70.04 H new ATOM 0 HD23 LEU A 8 8.309 10.340 -9.979 1.00 70.04 H new ATOM 98 N SER A 9 12.184 10.398 -7.725 1.00 34.33 N ATOM 99 CA SER A 9 13.489 10.600 -7.106 1.00 61.23 C ATOM 100 C SER A 9 13.473 11.819 -6.190 1.00 5.10 C ATOM 101 O SER A 9 12.456 12.501 -6.062 1.00 2.03 O ATOM 102 CB SER A 9 14.566 10.768 -8.179 1.00 74.40 C ATOM 103 OG SER A 9 14.717 12.129 -8.542 1.00 61.23 O ATOM 0 H SER A 9 12.080 10.834 -8.641 1.00 34.33 H new ATOM 0 HA SER A 9 13.719 9.720 -6.506 1.00 61.23 H new ATOM 0 HB2 SER A 9 15.515 10.380 -7.810 1.00 74.40 H new ATOM 0 HB3 SER A 9 14.302 10.181 -9.059 1.00 74.40 H new ATOM 0 HG SER A 9 15.412 12.209 -9.228 1.00 61.23 H new ATOM 109 N GLY A 10 14.609 12.089 -5.552 1.00 5.14 N ATOM 110 CA GLY A 10 14.704 13.226 -4.657 1.00 60.01 C ATOM 111 C GLY A 10 14.259 14.519 -5.310 1.00 5.15 C ATOM 112 O GLY A 10 13.520 15.302 -4.714 1.00 52.12 O ATOM 0 H GLY A 10 15.464 11.540 -5.640 1.00 5.14 H new ATOM 0 HA2 GLY A 10 14.093 13.040 -3.773 1.00 60.01 H new ATOM 0 HA3 GLY A 10 15.734 13.331 -4.316 1.00 60.01 H new ATOM 116 N GLY A 11 14.709 14.744 -6.540 1.00 13.43 N ATOM 117 CA GLY A 11 14.343 15.954 -7.255 1.00 52.02 C ATOM 118 C GLY A 11 12.895 15.946 -7.703 1.00 12.34 C ATOM 119 O GLY A 11 12.174 16.926 -7.513 1.00 35.43 O ATOM 0 H GLY A 11 15.321 14.111 -7.055 1.00 13.43 H new ATOM 0 HA2 GLY A 11 14.517 16.818 -6.614 1.00 52.02 H new ATOM 0 HA3 GLY A 11 14.989 16.068 -8.126 1.00 52.02 H new ATOM 123 N GLU A 12 12.469 14.838 -8.303 1.00 12.32 N ATOM 124 CA GLU A 12 11.097 14.709 -8.783 1.00 15.52 C ATOM 125 C GLU A 12 10.104 14.841 -7.632 1.00 63.05 C ATOM 126 O GLU A 12 9.029 15.421 -7.788 1.00 42.54 O ATOM 127 CB GLU A 12 10.904 13.365 -9.487 1.00 73.03 C ATOM 128 CG GLU A 12 12.001 13.038 -10.485 1.00 34.14 C ATOM 129 CD GLU A 12 11.741 11.746 -11.236 1.00 11.23 C ATOM 130 OE1 GLU A 12 11.851 10.668 -10.616 1.00 22.12 O ATOM 131 OE2 GLU A 12 11.428 11.814 -12.443 1.00 22.41 O ATOM 0 H GLU A 12 13.053 14.018 -8.468 1.00 12.32 H new ATOM 0 HA GLU A 12 10.910 15.513 -9.495 1.00 15.52 H new ATOM 0 HB2 GLU A 12 10.859 12.575 -8.737 1.00 73.03 H new ATOM 0 HB3 GLU A 12 9.944 13.369 -10.003 1.00 73.03 H new ATOM 0 HG2 GLU A 12 12.093 13.856 -11.199 1.00 34.14 H new ATOM 0 HG3 GLU A 12 12.954 12.964 -9.961 1.00 34.14 H new ATOM 138 N LEU A 13 10.471 14.297 -6.477 1.00 61.24 N ATOM 139 CA LEU A 13 9.613 14.352 -5.298 1.00 3.12 C ATOM 140 C LEU A 13 9.179 15.785 -5.007 1.00 14.42 C ATOM 141 O LEU A 13 8.004 16.050 -4.751 1.00 75.15 O ATOM 142 CB LEU A 13 10.340 13.771 -4.085 1.00 32.54 C ATOM 143 CG LEU A 13 9.476 13.485 -2.857 1.00 11.42 C ATOM 144 CD1 LEU A 13 8.388 12.477 -3.192 1.00 72.42 C ATOM 145 CD2 LEU A 13 10.334 12.984 -1.705 1.00 20.23 C ATOM 0 H LEU A 13 11.357 13.813 -6.331 1.00 61.24 H new ATOM 0 HA LEU A 13 8.723 13.756 -5.499 1.00 3.12 H new ATOM 0 HB2 LEU A 13 10.824 12.843 -4.388 1.00 32.54 H new ATOM 0 HB3 LEU A 13 11.130 14.463 -3.795 1.00 32.54 H new ATOM 0 HG LEU A 13 8.998 14.415 -2.549 1.00 11.42 H new ATOM 0 HD11 LEU A 13 7.783 12.286 -2.305 1.00 72.42 H new ATOM 0 HD12 LEU A 13 7.754 12.875 -3.984 1.00 72.42 H new ATOM 0 HD13 LEU A 13 8.845 11.546 -3.527 1.00 72.42 H new ATOM 0 HD21 LEU A 13 9.702 12.786 -0.840 1.00 20.23 H new ATOM 0 HD22 LEU A 13 10.841 12.066 -2.002 1.00 20.23 H new ATOM 0 HD23 LEU A 13 11.075 13.741 -1.447 1.00 20.23 H new ATOM 157 N ASP A 14 10.135 16.707 -5.050 1.00 75.20 N ATOM 158 CA ASP A 14 9.852 18.114 -4.794 1.00 13.53 C ATOM 159 C ASP A 14 8.688 18.600 -5.651 1.00 24.32 C ATOM 160 O ASP A 14 7.743 19.207 -5.148 1.00 44.21 O ATOM 161 CB ASP A 14 11.094 18.965 -5.069 1.00 63.30 C ATOM 162 CG ASP A 14 11.639 19.616 -3.814 1.00 11.13 C ATOM 163 OD1 ASP A 14 11.852 18.895 -2.817 1.00 63.24 O ATOM 164 OD2 ASP A 14 11.854 20.846 -3.829 1.00 40.54 O ATOM 0 H ASP A 14 11.113 16.505 -5.260 1.00 75.20 H new ATOM 0 HA ASP A 14 9.575 18.217 -3.745 1.00 13.53 H new ATOM 0 HB2 ASP A 14 11.867 18.340 -5.516 1.00 63.30 H new ATOM 0 HB3 ASP A 14 10.848 19.737 -5.798 1.00 63.30 H new ATOM 169 N LYS A 15 8.763 18.329 -6.951 1.00 63.44 N ATOM 170 CA LYS A 15 7.716 18.737 -7.879 1.00 1.32 C ATOM 171 C LYS A 15 6.381 18.098 -7.510 1.00 33.01 C ATOM 172 O LYS A 15 5.366 18.783 -7.391 1.00 40.24 O ATOM 173 CB LYS A 15 8.098 18.353 -9.311 1.00 43.54 C ATOM 174 CG LYS A 15 8.693 19.501 -10.109 1.00 3.15 C ATOM 175 CD LYS A 15 9.890 19.048 -10.928 1.00 43.32 C ATOM 176 CE LYS A 15 10.711 20.232 -11.416 1.00 24.35 C ATOM 177 NZ LYS A 15 11.807 20.576 -10.469 1.00 63.03 N ATOM 0 H LYS A 15 9.539 17.828 -7.385 1.00 63.44 H new ATOM 0 HA LYS A 15 7.610 19.820 -7.814 1.00 1.32 H new ATOM 0 HB2 LYS A 15 8.815 17.533 -9.280 1.00 43.54 H new ATOM 0 HB3 LYS A 15 7.213 17.982 -9.828 1.00 43.54 H new ATOM 0 HG2 LYS A 15 7.934 19.917 -10.771 1.00 3.15 H new ATOM 0 HG3 LYS A 15 8.996 20.299 -9.431 1.00 3.15 H new ATOM 0 HD2 LYS A 15 10.518 18.392 -10.325 1.00 43.32 H new ATOM 0 HD3 LYS A 15 9.548 18.464 -11.782 1.00 43.32 H new ATOM 0 HE2 LYS A 15 11.135 20.002 -12.393 1.00 24.35 H new ATOM 0 HE3 LYS A 15 10.060 21.096 -11.547 1.00 24.35 H new ATOM 0 HZ1 LYS A 15 12.343 21.388 -10.838 1.00 63.03 H new ATOM 0 HZ2 LYS A 15 11.402 20.821 -9.543 1.00 63.03 H new ATOM 0 HZ3 LYS A 15 12.443 19.760 -10.364 1.00 63.03 H new ATOM 191 N TRP A 16 6.391 16.782 -7.329 1.00 63.20 N ATOM 192 CA TRP A 16 5.180 16.051 -6.971 1.00 14.40 C ATOM 193 C TRP A 16 4.473 16.712 -5.793 1.00 74.42 C ATOM 194 O TRP A 16 3.321 17.128 -5.904 1.00 71.23 O ATOM 195 CB TRP A 16 5.519 14.599 -6.630 1.00 71.32 C ATOM 196 CG TRP A 16 4.315 13.769 -6.304 1.00 64.41 C ATOM 197 CD1 TRP A 16 3.995 13.230 -5.090 1.00 31.53 C ATOM 198 CD2 TRP A 16 3.270 13.383 -7.204 1.00 51.22 C ATOM 199 NE1 TRP A 16 2.815 12.531 -5.182 1.00 14.23 N ATOM 200 CE2 TRP A 16 2.350 12.611 -6.469 1.00 42.14 C ATOM 201 CE3 TRP A 16 3.022 13.616 -8.560 1.00 40.25 C ATOM 202 CZ2 TRP A 16 1.203 12.072 -7.044 1.00 31.44 C ATOM 203 CZ3 TRP A 16 1.883 13.080 -9.130 1.00 72.51 C ATOM 204 CH2 TRP A 16 0.985 12.315 -8.373 1.00 44.34 C ATOM 0 H TRP A 16 7.223 16.200 -7.424 1.00 63.20 H new ATOM 0 HA TRP A 16 4.508 16.068 -7.829 1.00 14.40 H new ATOM 0 HB2 TRP A 16 6.045 14.149 -7.472 1.00 71.32 H new ATOM 0 HB3 TRP A 16 6.203 14.583 -5.782 1.00 71.32 H new ATOM 0 HD1 TRP A 16 4.583 13.337 -4.190 1.00 31.53 H new ATOM 0 HE1 TRP A 16 2.359 12.034 -4.417 1.00 14.23 H new ATOM 0 HE3 TRP A 16 3.708 14.204 -9.151 1.00 40.25 H new ATOM 0 HZ2 TRP A 16 0.510 11.483 -6.462 1.00 31.44 H new ATOM 0 HZ3 TRP A 16 1.681 13.253 -10.177 1.00 72.51 H new ATOM 0 HH2 TRP A 16 0.104 11.909 -8.848 1.00 44.34 H new ATOM 215 N GLU A 17 5.172 16.805 -4.665 1.00 33.52 N ATOM 216 CA GLU A 17 4.609 17.415 -3.467 1.00 74.02 C ATOM 217 C GLU A 17 4.193 18.858 -3.735 1.00 40.31 C ATOM 218 O GLU A 17 3.366 19.422 -3.017 1.00 33.42 O ATOM 219 CB GLU A 17 5.623 17.369 -2.321 1.00 4.11 C ATOM 220 CG GLU A 17 5.844 15.975 -1.759 1.00 24.14 C ATOM 221 CD GLU A 17 6.490 15.995 -0.387 1.00 60.50 C ATOM 222 OE1 GLU A 17 7.735 16.069 -0.319 1.00 62.34 O ATOM 223 OE2 GLU A 17 5.750 15.937 0.617 1.00 32.12 O ATOM 0 H GLU A 17 6.128 16.466 -4.557 1.00 33.52 H new ATOM 0 HA GLU A 17 3.723 16.847 -3.183 1.00 74.02 H new ATOM 0 HB2 GLU A 17 6.575 17.764 -2.674 1.00 4.11 H new ATOM 0 HB3 GLU A 17 5.283 18.025 -1.520 1.00 4.11 H new ATOM 0 HG2 GLU A 17 4.888 15.456 -1.699 1.00 24.14 H new ATOM 0 HG3 GLU A 17 6.473 15.406 -2.444 1.00 24.14 H new ATOM 230 N LYS A 18 4.771 19.451 -4.774 1.00 53.03 N ATOM 231 CA LYS A 18 4.462 20.828 -5.140 1.00 43.04 C ATOM 232 C LYS A 18 3.058 20.932 -5.728 1.00 74.10 C ATOM 233 O LYS A 18 2.152 21.483 -5.102 1.00 32.51 O ATOM 234 CB LYS A 18 5.488 21.354 -6.145 1.00 70.21 C ATOM 235 CG LYS A 18 6.188 22.624 -5.693 1.00 71.41 C ATOM 236 CD LYS A 18 6.963 23.269 -6.829 1.00 4.34 C ATOM 237 CE LYS A 18 8.452 22.978 -6.726 1.00 52.23 C ATOM 238 NZ LYS A 18 9.167 23.289 -7.995 1.00 41.10 N ATOM 0 H LYS A 18 5.457 18.999 -5.378 1.00 53.03 H new ATOM 0 HA LYS A 18 4.505 21.436 -4.236 1.00 43.04 H new ATOM 0 HB2 LYS A 18 6.236 20.582 -6.326 1.00 70.21 H new ATOM 0 HB3 LYS A 18 4.989 21.543 -7.095 1.00 70.21 H new ATOM 0 HG2 LYS A 18 5.451 23.329 -5.308 1.00 71.41 H new ATOM 0 HG3 LYS A 18 6.868 22.393 -4.873 1.00 71.41 H new ATOM 0 HD2 LYS A 18 6.585 22.902 -7.783 1.00 4.34 H new ATOM 0 HD3 LYS A 18 6.800 24.347 -6.815 1.00 4.34 H new ATOM 0 HE2 LYS A 18 8.881 23.565 -5.914 1.00 52.23 H new ATOM 0 HE3 LYS A 18 8.600 21.928 -6.474 1.00 52.23 H new ATOM 0 HZ1 LYS A 18 10.179 23.077 -7.884 1.00 41.10 H new ATOM 0 HZ2 LYS A 18 8.775 22.711 -8.765 1.00 41.10 H new ATOM 0 HZ3 LYS A 18 9.047 24.297 -8.223 1.00 41.10 H new ATOM 252 N ILE A 19 2.887 20.399 -6.933 1.00 5.43 N ATOM 253 CA ILE A 19 1.592 20.430 -7.604 1.00 31.31 C ATOM 254 C ILE A 19 0.461 20.113 -6.632 1.00 70.12 C ATOM 255 O ILE A 19 0.626 19.309 -5.714 1.00 53.42 O ATOM 256 CB ILE A 19 1.542 19.432 -8.776 1.00 1.43 C ATOM 257 CG1 ILE A 19 2.704 19.685 -9.739 1.00 23.31 C ATOM 258 CG2 ILE A 19 0.211 19.538 -9.505 1.00 40.33 C ATOM 259 CD1 ILE A 19 3.578 18.470 -9.963 1.00 24.31 C ATOM 0 H ILE A 19 3.627 19.941 -7.465 1.00 5.43 H new ATOM 0 HA ILE A 19 1.461 21.440 -7.992 1.00 31.31 H new ATOM 0 HB ILE A 19 1.637 18.422 -8.378 1.00 1.43 H new ATOM 0 HG12 ILE A 19 2.305 20.018 -10.697 1.00 23.31 H new ATOM 0 HG13 ILE A 19 3.318 20.497 -9.350 1.00 23.31 H new ATOM 0 HG21 ILE A 19 0.191 18.827 -10.331 1.00 40.33 H new ATOM 0 HG22 ILE A 19 -0.601 19.315 -8.813 1.00 40.33 H new ATOM 0 HG23 ILE A 19 0.089 20.549 -9.894 1.00 40.33 H new ATOM 0 HD11 ILE A 19 4.381 18.722 -10.656 1.00 24.31 H new ATOM 0 HD12 ILE A 19 4.006 18.149 -9.013 1.00 24.31 H new ATOM 0 HD13 ILE A 19 2.978 17.662 -10.382 1.00 24.31 H new ATOM 271 N ARG A 20 -0.688 20.747 -6.841 1.00 13.54 N ATOM 272 CA ARG A 20 -1.847 20.532 -5.985 1.00 40.23 C ATOM 273 C ARG A 20 -2.943 19.779 -6.731 1.00 24.32 C ATOM 274 O ARG A 20 -2.907 19.663 -7.957 1.00 23.43 O ATOM 275 CB ARG A 20 -2.387 21.870 -5.477 1.00 65.12 C ATOM 276 CG ARG A 20 -1.352 22.707 -4.744 1.00 2.33 C ATOM 277 CD ARG A 20 -0.829 23.836 -5.619 1.00 33.11 C ATOM 278 NE ARG A 20 0.008 24.768 -4.867 1.00 12.33 N ATOM 279 CZ ARG A 20 0.609 25.820 -5.413 1.00 70.14 C ATOM 280 NH1 ARG A 20 0.466 26.072 -6.706 1.00 41.13 N ATOM 281 NH2 ARG A 20 1.354 26.622 -4.663 1.00 62.15 N ATOM 0 H ARG A 20 -0.841 21.415 -7.597 1.00 13.54 H new ATOM 0 HA ARG A 20 -1.531 19.928 -5.134 1.00 40.23 H new ATOM 0 HB2 ARG A 20 -2.771 22.441 -6.322 1.00 65.12 H new ATOM 0 HB3 ARG A 20 -3.229 21.683 -4.810 1.00 65.12 H new ATOM 0 HG2 ARG A 20 -1.793 23.122 -3.838 1.00 2.33 H new ATOM 0 HG3 ARG A 20 -0.523 22.072 -4.433 1.00 2.33 H new ATOM 0 HD2 ARG A 20 -0.254 23.418 -6.445 1.00 33.11 H new ATOM 0 HD3 ARG A 20 -1.669 24.375 -6.056 1.00 33.11 H new ATOM 0 HE ARG A 20 0.138 24.602 -3.869 1.00 12.33 H new ATOM 0 HH11 ARG A 20 -0.107 25.458 -7.285 1.00 41.13 H new ATOM 0 HH12 ARG A 20 0.928 26.880 -7.122 1.00 41.13 H new ATOM 0 HH21 ARG A 20 1.465 26.431 -3.667 1.00 62.15 H new ATOM 0 HH22 ARG A 20 1.815 27.429 -5.082 1.00 62.15 H new ATOM 295 N LEU A 21 -3.916 19.267 -5.985 1.00 71.01 N ATOM 296 CA LEU A 21 -5.023 18.523 -6.577 1.00 42.23 C ATOM 297 C LEU A 21 -6.013 19.467 -7.252 1.00 71.42 C ATOM 298 O LEU A 21 -6.528 19.174 -8.331 1.00 11.23 O ATOM 299 CB LEU A 21 -5.737 17.697 -5.505 1.00 1.24 C ATOM 300 CG LEU A 21 -4.844 16.825 -4.623 1.00 12.35 C ATOM 301 CD1 LEU A 21 -5.381 16.778 -3.202 1.00 73.43 C ATOM 302 CD2 LEU A 21 -4.731 15.421 -5.201 1.00 41.24 C ATOM 0 H LEU A 21 -3.961 19.353 -4.970 1.00 71.01 H new ATOM 0 HA LEU A 21 -4.616 17.852 -7.333 1.00 42.23 H new ATOM 0 HB2 LEU A 21 -6.295 18.378 -4.862 1.00 1.24 H new ATOM 0 HB3 LEU A 21 -6.467 17.054 -5.997 1.00 1.24 H new ATOM 0 HG LEU A 21 -3.848 17.266 -4.598 1.00 12.35 H new ATOM 0 HD11 LEU A 21 -4.732 16.153 -2.588 1.00 73.43 H new ATOM 0 HD12 LEU A 21 -5.408 17.787 -2.790 1.00 73.43 H new ATOM 0 HD13 LEU A 21 -6.388 16.361 -3.207 1.00 73.43 H new ATOM 0 HD21 LEU A 21 -4.092 14.814 -4.560 1.00 41.24 H new ATOM 0 HD22 LEU A 21 -5.722 14.970 -5.257 1.00 41.24 H new ATOM 0 HD23 LEU A 21 -4.299 15.473 -6.200 1.00 41.24 H new ATOM 314 N ARG A 22 -6.274 20.601 -6.610 1.00 65.44 N ATOM 315 CA ARG A 22 -7.202 21.588 -7.149 1.00 11.22 C ATOM 316 C ARG A 22 -6.484 22.900 -7.452 1.00 72.01 C ATOM 317 O ARG A 22 -5.449 23.219 -6.867 1.00 54.14 O ATOM 318 CB ARG A 22 -8.346 21.836 -6.164 1.00 33.44 C ATOM 319 CG ARG A 22 -9.585 21.004 -6.448 1.00 24.15 C ATOM 320 CD ARG A 22 -9.537 19.666 -5.726 1.00 33.35 C ATOM 321 NE ARG A 22 -10.438 19.631 -4.577 1.00 12.34 N ATOM 322 CZ ARG A 22 -11.751 19.462 -4.678 1.00 0.34 C ATOM 323 NH1 ARG A 22 -12.315 19.312 -5.869 1.00 33.44 N ATOM 324 NH2 ARG A 22 -12.504 19.441 -3.586 1.00 2.24 N ATOM 0 H ARG A 22 -5.856 20.859 -5.716 1.00 65.44 H new ATOM 0 HA ARG A 22 -7.612 21.194 -8.079 1.00 11.22 H new ATOM 0 HB2 ARG A 22 -7.998 21.620 -5.154 1.00 33.44 H new ATOM 0 HB3 ARG A 22 -8.614 22.892 -6.190 1.00 33.44 H new ATOM 0 HG2 ARG A 22 -10.473 21.554 -6.137 1.00 24.15 H new ATOM 0 HG3 ARG A 22 -9.673 20.836 -7.521 1.00 24.15 H new ATOM 0 HD2 ARG A 22 -9.804 18.870 -6.421 1.00 33.35 H new ATOM 0 HD3 ARG A 22 -8.518 19.470 -5.393 1.00 33.35 H new ATOM 0 HE ARG A 22 -10.037 19.743 -3.646 1.00 12.34 H new ATOM 0 HH11 ARG A 22 -11.740 19.326 -6.711 1.00 33.44 H new ATOM 0 HH12 ARG A 22 -13.324 19.182 -5.943 1.00 33.44 H new ATOM 0 HH21 ARG A 22 -12.074 19.555 -2.668 1.00 2.24 H new ATOM 0 HH22 ARG A 22 -13.513 19.311 -3.664 1.00 2.24 H new ATOM 338 N PRO A 23 -7.046 23.679 -8.388 1.00 13.14 N ATOM 339 CA PRO A 23 -6.476 24.969 -8.790 1.00 41.03 C ATOM 340 C PRO A 23 -6.602 26.024 -7.696 1.00 1.43 C ATOM 341 O PRO A 23 -5.692 26.825 -7.486 1.00 4.20 O ATOM 342 CB PRO A 23 -7.313 25.361 -10.010 1.00 32.00 C ATOM 343 CG PRO A 23 -8.609 24.652 -9.825 1.00 33.42 C ATOM 344 CD PRO A 23 -8.279 23.361 -9.126 1.00 0.41 C ATOM 0 HA PRO A 23 -5.408 24.897 -8.994 1.00 41.03 H new ATOM 0 HB2 PRO A 23 -7.456 26.440 -10.061 1.00 32.00 H new ATOM 0 HB3 PRO A 23 -6.826 25.060 -10.937 1.00 32.00 H new ATOM 0 HG2 PRO A 23 -9.300 25.251 -9.232 1.00 33.42 H new ATOM 0 HG3 PRO A 23 -9.091 24.464 -10.784 1.00 33.42 H new ATOM 0 HD2 PRO A 23 -9.080 23.051 -8.455 1.00 0.41 H new ATOM 0 HD3 PRO A 23 -8.125 22.548 -9.835 1.00 0.41 H new ATOM 352 N GLY A 24 -7.736 26.018 -7.002 1.00 11.44 N ATOM 353 CA GLY A 24 -7.960 26.980 -5.939 1.00 41.22 C ATOM 354 C GLY A 24 -8.027 26.327 -4.572 1.00 44.54 C ATOM 355 O GLY A 24 -8.835 26.716 -3.730 1.00 43.15 O ATOM 0 H GLY A 24 -8.503 25.364 -7.157 1.00 11.44 H new ATOM 0 HA2 GLY A 24 -7.159 27.719 -5.947 1.00 41.22 H new ATOM 0 HA3 GLY A 24 -8.890 27.516 -6.128 1.00 41.22 H new ATOM 359 N GLY A 25 -7.176 25.330 -4.351 1.00 62.20 N ATOM 360 CA GLY A 25 -7.161 24.637 -3.076 1.00 22.43 C ATOM 361 C GLY A 25 -5.888 24.891 -2.294 1.00 35.25 C ATOM 362 O GLY A 25 -5.051 25.697 -2.700 1.00 73.22 O ATOM 0 H GLY A 25 -6.497 24.990 -5.032 1.00 62.20 H new ATOM 0 HA2 GLY A 25 -8.018 24.955 -2.483 1.00 22.43 H new ATOM 0 HA3 GLY A 25 -7.272 23.566 -3.247 1.00 22.43 H new ATOM 366 N LYS A 26 -5.741 24.203 -1.167 1.00 32.41 N ATOM 367 CA LYS A 26 -4.560 24.357 -0.324 1.00 24.33 C ATOM 368 C LYS A 26 -3.891 23.010 -0.074 1.00 70.43 C ATOM 369 O LYS A 26 -2.889 22.925 0.637 1.00 73.25 O ATOM 370 CB LYS A 26 -4.943 25.005 1.009 1.00 73.32 C ATOM 371 CG LYS A 26 -5.156 26.505 0.917 1.00 22.25 C ATOM 372 CD LYS A 26 -6.634 26.856 0.867 1.00 33.53 C ATOM 373 CE LYS A 26 -7.049 27.692 2.068 1.00 24.12 C ATOM 374 NZ LYS A 26 -6.948 26.925 3.339 1.00 63.13 N ATOM 0 H LYS A 26 -6.425 23.533 -0.816 1.00 32.41 H new ATOM 0 HA LYS A 26 -3.852 25.002 -0.845 1.00 24.33 H new ATOM 0 HB2 LYS A 26 -5.856 24.539 1.381 1.00 73.32 H new ATOM 0 HB3 LYS A 26 -4.161 24.802 1.740 1.00 73.32 H new ATOM 0 HG2 LYS A 26 -4.694 26.992 1.776 1.00 22.25 H new ATOM 0 HG3 LYS A 26 -4.659 26.890 0.026 1.00 22.25 H new ATOM 0 HD2 LYS A 26 -6.848 27.404 -0.051 1.00 33.53 H new ATOM 0 HD3 LYS A 26 -7.226 25.941 0.837 1.00 33.53 H new ATOM 0 HE2 LYS A 26 -6.419 28.579 2.128 1.00 24.12 H new ATOM 0 HE3 LYS A 26 -8.074 28.038 1.933 1.00 24.12 H new ATOM 0 HZ1 LYS A 26 -7.239 27.530 4.133 1.00 63.13 H new ATOM 0 HZ2 LYS A 26 -7.569 26.092 3.292 1.00 63.13 H new ATOM 0 HZ3 LYS A 26 -5.965 26.617 3.481 1.00 63.13 H new ATOM 388 N LYS A 27 -4.450 21.958 -0.663 1.00 75.51 N ATOM 389 CA LYS A 27 -3.904 20.614 -0.506 1.00 24.11 C ATOM 390 C LYS A 27 -2.972 20.267 -1.662 1.00 12.20 C ATOM 391 O LYS A 27 -3.305 20.486 -2.826 1.00 4.31 O ATOM 392 CB LYS A 27 -5.038 19.589 -0.426 1.00 52.13 C ATOM 393 CG LYS A 27 -5.454 19.253 0.995 1.00 70.45 C ATOM 394 CD LYS A 27 -4.418 18.386 1.691 1.00 14.44 C ATOM 395 CE LYS A 27 -5.072 17.332 2.570 1.00 74.22 C ATOM 396 NZ LYS A 27 -4.961 17.671 4.017 1.00 71.30 N ATOM 0 H LYS A 27 -5.280 22.010 -1.253 1.00 75.51 H new ATOM 0 HA LYS A 27 -3.330 20.587 0.420 1.00 24.11 H new ATOM 0 HB2 LYS A 27 -5.902 19.973 -0.968 1.00 52.13 H new ATOM 0 HB3 LYS A 27 -4.726 18.674 -0.930 1.00 52.13 H new ATOM 0 HG2 LYS A 27 -5.597 20.174 1.560 1.00 70.45 H new ATOM 0 HG3 LYS A 27 -6.413 18.735 0.981 1.00 70.45 H new ATOM 0 HD2 LYS A 27 -3.789 17.900 0.945 1.00 14.44 H new ATOM 0 HD3 LYS A 27 -3.766 19.014 2.298 1.00 14.44 H new ATOM 0 HE2 LYS A 27 -6.123 17.234 2.299 1.00 74.22 H new ATOM 0 HE3 LYS A 27 -4.604 16.365 2.386 1.00 74.22 H new ATOM 0 HZ1 LYS A 27 -5.419 16.929 4.584 1.00 71.30 H new ATOM 0 HZ2 LYS A 27 -3.958 17.739 4.282 1.00 71.30 H new ATOM 0 HZ3 LYS A 27 -5.429 18.582 4.197 1.00 71.30 H new ATOM 410 N GLN A 28 -1.805 19.723 -1.332 1.00 10.41 N ATOM 411 CA GLN A 28 -0.825 19.346 -2.344 1.00 24.22 C ATOM 412 C GLN A 28 -0.852 17.841 -2.593 1.00 20.03 C ATOM 413 O GLN A 28 -1.641 17.115 -1.986 1.00 14.43 O ATOM 414 CB GLN A 28 0.577 19.779 -1.913 1.00 22.23 C ATOM 415 CG GLN A 28 0.599 21.085 -1.137 1.00 44.22 C ATOM 416 CD GLN A 28 0.642 20.872 0.363 1.00 62.30 C ATOM 417 OE1 GLN A 28 -0.277 20.296 0.947 1.00 13.01 O ATOM 418 NE2 GLN A 28 1.713 21.334 0.997 1.00 21.11 N ATOM 0 H GLN A 28 -1.515 19.534 -0.373 1.00 10.41 H new ATOM 0 HA GLN A 28 -1.084 19.854 -3.273 1.00 24.22 H new ATOM 0 HB2 GLN A 28 1.018 18.994 -1.299 1.00 22.23 H new ATOM 0 HB3 GLN A 28 1.205 19.882 -2.798 1.00 22.23 H new ATOM 0 HG2 GLN A 28 1.467 21.670 -1.442 1.00 44.22 H new ATOM 0 HG3 GLN A 28 -0.285 21.670 -1.392 1.00 44.22 H new ATOM 0 HE21 GLN A 28 2.451 21.805 0.474 1.00 21.11 H new ATOM 0 HE22 GLN A 28 1.798 21.218 2.007 1.00 21.11 H new ATOM 427 N TYR A 29 0.013 17.379 -3.488 1.00 12.51 N ATOM 428 CA TYR A 29 0.086 15.961 -3.820 1.00 73.14 C ATOM 429 C TYR A 29 0.990 15.219 -2.838 1.00 22.13 C ATOM 430 O TYR A 29 1.957 15.778 -2.322 1.00 32.21 O ATOM 431 CB TYR A 29 0.604 15.775 -5.247 1.00 51.31 C ATOM 432 CG TYR A 29 -0.493 15.558 -6.265 1.00 32.10 C ATOM 433 CD1 TYR A 29 -1.207 14.367 -6.302 1.00 23.31 C ATOM 434 CD2 TYR A 29 -0.814 16.544 -7.189 1.00 25.04 C ATOM 435 CE1 TYR A 29 -2.210 14.163 -7.231 1.00 54.32 C ATOM 436 CE2 TYR A 29 -1.816 16.350 -8.121 1.00 43.02 C ATOM 437 CZ TYR A 29 -2.511 15.158 -8.138 1.00 43.05 C ATOM 438 OH TYR A 29 -3.509 14.961 -9.064 1.00 22.33 O ATOM 0 H TYR A 29 0.674 17.966 -3.997 1.00 12.51 H new ATOM 0 HA TYR A 29 -0.919 15.545 -3.749 1.00 73.14 H new ATOM 0 HB2 TYR A 29 1.184 16.653 -5.532 1.00 51.31 H new ATOM 0 HB3 TYR A 29 1.283 14.923 -5.270 1.00 51.31 H new ATOM 0 HD1 TYR A 29 -0.974 13.587 -5.592 1.00 23.31 H new ATOM 0 HD2 TYR A 29 -0.272 17.478 -7.179 1.00 25.04 H new ATOM 0 HE1 TYR A 29 -2.755 13.231 -7.247 1.00 54.32 H new ATOM 0 HE2 TYR A 29 -2.054 17.127 -8.832 1.00 43.02 H new ATOM 0 HH TYR A 29 -4.378 14.955 -8.612 1.00 22.33 H new ATOM 448 N LYS A 30 0.666 13.954 -2.588 1.00 55.32 N ATOM 449 CA LYS A 30 1.447 13.133 -1.671 1.00 63.51 C ATOM 450 C LYS A 30 1.544 11.696 -2.176 1.00 10.41 C ATOM 451 O LYS A 30 0.837 11.306 -3.107 1.00 34.25 O ATOM 452 CB LYS A 30 0.820 13.151 -0.275 1.00 3.42 C ATOM 453 CG LYS A 30 1.809 13.471 0.832 1.00 43.53 C ATOM 454 CD LYS A 30 1.133 13.497 2.193 1.00 21.32 C ATOM 455 CE LYS A 30 2.029 14.127 3.249 1.00 4.42 C ATOM 456 NZ LYS A 30 1.479 15.421 3.740 1.00 2.52 N ATOM 0 H LYS A 30 -0.131 13.476 -3.008 1.00 55.32 H new ATOM 0 HA LYS A 30 2.452 13.551 -1.617 1.00 63.51 H new ATOM 0 HB2 LYS A 30 0.016 13.887 -0.256 1.00 3.42 H new ATOM 0 HB3 LYS A 30 0.367 12.179 -0.077 1.00 3.42 H new ATOM 0 HG2 LYS A 30 2.606 12.728 0.835 1.00 43.53 H new ATOM 0 HG3 LYS A 30 2.274 14.437 0.637 1.00 43.53 H new ATOM 0 HD2 LYS A 30 0.200 14.056 2.126 1.00 21.32 H new ATOM 0 HD3 LYS A 30 0.876 12.481 2.492 1.00 21.32 H new ATOM 0 HE2 LYS A 30 2.143 13.439 4.087 1.00 4.42 H new ATOM 0 HE3 LYS A 30 3.023 14.289 2.833 1.00 4.42 H new ATOM 0 HZ1 LYS A 30 2.117 15.819 4.458 1.00 2.52 H new ATOM 0 HZ2 LYS A 30 1.394 16.086 2.945 1.00 2.52 H new ATOM 0 HZ3 LYS A 30 0.541 15.262 4.160 1.00 2.52 H new ATOM 470 N LEU A 31 2.422 10.914 -1.558 1.00 51.35 N ATOM 471 CA LEU A 31 2.610 9.520 -1.944 1.00 10.50 C ATOM 472 C LEU A 31 1.279 8.776 -1.964 1.00 12.33 C ATOM 473 O LEU A 31 1.041 7.929 -2.826 1.00 43.23 O ATOM 474 CB LEU A 31 3.579 8.830 -0.983 1.00 52.12 C ATOM 475 CG LEU A 31 4.964 9.466 -0.854 1.00 3.43 C ATOM 476 CD1 LEU A 31 5.792 8.736 0.191 1.00 61.34 C ATOM 477 CD2 LEU A 31 5.678 9.464 -2.198 1.00 3.53 C ATOM 0 H LEU A 31 3.015 11.222 -0.787 1.00 51.35 H new ATOM 0 HA LEU A 31 3.031 9.501 -2.949 1.00 10.50 H new ATOM 0 HB2 LEU A 31 3.121 8.802 0.006 1.00 52.12 H new ATOM 0 HB3 LEU A 31 3.705 7.796 -1.305 1.00 52.12 H new ATOM 0 HG LEU A 31 4.839 10.500 -0.532 1.00 3.43 H new ATOM 0 HD11 LEU A 31 6.774 9.203 0.268 1.00 61.34 H new ATOM 0 HD12 LEU A 31 5.288 8.788 1.156 1.00 61.34 H new ATOM 0 HD13 LEU A 31 5.909 7.692 -0.101 1.00 61.34 H new ATOM 0 HD21 LEU A 31 6.662 9.920 -2.088 1.00 3.53 H new ATOM 0 HD22 LEU A 31 5.791 8.438 -2.549 1.00 3.53 H new ATOM 0 HD23 LEU A 31 5.093 10.032 -2.921 1.00 3.53 H new ATOM 489 N LYS A 32 0.413 9.099 -1.010 1.00 2.21 N ATOM 490 CA LYS A 32 -0.896 8.464 -0.919 1.00 64.34 C ATOM 491 C LYS A 32 -1.574 8.414 -2.284 1.00 11.42 C ATOM 492 O LYS A 32 -2.294 7.465 -2.597 1.00 13.14 O ATOM 493 CB LYS A 32 -1.784 9.218 0.075 1.00 62.12 C ATOM 494 CG LYS A 32 -1.705 8.678 1.492 1.00 62.22 C ATOM 495 CD LYS A 32 -2.792 7.649 1.758 1.00 52.31 C ATOM 496 CE LYS A 32 -4.020 8.286 2.388 1.00 44.20 C ATOM 497 NZ LYS A 32 -5.250 7.483 2.141 1.00 4.04 N ATOM 0 H LYS A 32 0.594 9.797 -0.289 1.00 2.21 H new ATOM 0 HA LYS A 32 -0.752 7.443 -0.567 1.00 64.34 H new ATOM 0 HB2 LYS A 32 -1.498 10.270 0.080 1.00 62.12 H new ATOM 0 HB3 LYS A 32 -2.818 9.170 -0.266 1.00 62.12 H new ATOM 0 HG2 LYS A 32 -0.727 8.226 1.656 1.00 62.22 H new ATOM 0 HG3 LYS A 32 -1.799 9.500 2.201 1.00 62.22 H new ATOM 0 HD2 LYS A 32 -3.072 7.164 0.823 1.00 52.31 H new ATOM 0 HD3 LYS A 32 -2.405 6.872 2.417 1.00 52.31 H new ATOM 0 HE2 LYS A 32 -3.864 8.391 3.462 1.00 44.20 H new ATOM 0 HE3 LYS A 32 -4.155 9.290 1.986 1.00 44.20 H new ATOM 0 HZ1 LYS A 32 -6.065 7.951 2.586 1.00 4.04 H new ATOM 0 HZ2 LYS A 32 -5.413 7.404 1.117 1.00 4.04 H new ATOM 0 HZ3 LYS A 32 -5.132 6.533 2.547 1.00 4.04 H new ATOM 511 N HIS A 33 -1.338 9.441 -3.094 1.00 51.43 N ATOM 512 CA HIS A 33 -1.924 9.514 -4.429 1.00 44.12 C ATOM 513 C HIS A 33 -1.225 8.548 -5.381 1.00 53.01 C ATOM 514 O HIS A 33 -1.917 8.002 -6.241 1.00 14.44 O ATOM 515 CB HIS A 33 -1.832 10.940 -4.973 1.00 42.13 C ATOM 516 CG HIS A 33 -2.544 11.950 -4.126 1.00 4.43 C ATOM 517 ND1 HIS A 33 -1.887 12.906 -3.382 1.00 50.11 N ATOM 518 CD2 HIS A 33 -3.866 12.151 -3.910 1.00 33.34 C ATOM 519 CE1 HIS A 33 -2.773 13.651 -2.744 1.00 34.32 C ATOM 520 NE2 HIS A 33 -3.981 13.213 -3.048 1.00 21.02 N ATOM 0 H HIS A 33 -0.745 10.234 -2.850 1.00 51.43 H new ATOM 0 HA HIS A 33 -2.974 9.229 -4.355 1.00 44.12 H new ATOM 0 HB2 HIS A 33 -0.782 11.222 -5.055 1.00 42.13 H new ATOM 0 HB3 HIS A 33 -2.248 10.964 -5.980 1.00 42.13 H new ATOM 0 HD2 HIS A 33 -4.678 11.582 -4.337 1.00 33.34 H new ATOM 0 HE1 HIS A 33 -2.547 14.477 -2.086 1.00 34.32 H new ATOM 0 HE2 HIS A 33 -4.857 13.601 -2.699 1.00 21.02 H new ATOM 528 N ILE A 34 0.080 8.329 -5.255 1.00 51.22 N ATOM 529 CA ILE A 34 0.791 7.415 -6.141 1.00 45.11 C ATOM 530 C ILE A 34 0.616 5.969 -5.691 1.00 73.42 C ATOM 531 O ILE A 34 0.211 5.108 -6.473 1.00 15.40 O ATOM 532 CB ILE A 34 2.293 7.745 -6.203 1.00 41.30 C ATOM 533 CG1 ILE A 34 2.502 9.188 -6.669 1.00 34.41 C ATOM 534 CG2 ILE A 34 3.010 6.774 -7.128 1.00 35.11 C ATOM 535 CD1 ILE A 34 3.958 9.587 -6.764 1.00 62.10 C ATOM 0 H ILE A 34 0.666 8.772 -4.548 1.00 51.22 H new ATOM 0 HA ILE A 34 0.361 7.539 -7.135 1.00 45.11 H new ATOM 0 HB ILE A 34 2.715 7.642 -5.203 1.00 41.30 H new ATOM 0 HG12 ILE A 34 2.034 9.318 -7.645 1.00 34.41 H new ATOM 0 HG13 ILE A 34 1.993 9.861 -5.979 1.00 34.41 H new ATOM 0 HG21 ILE A 34 4.071 7.020 -7.162 1.00 35.11 H new ATOM 0 HG22 ILE A 34 2.885 5.757 -6.756 1.00 35.11 H new ATOM 0 HG23 ILE A 34 2.588 6.848 -8.130 1.00 35.11 H new ATOM 0 HD11 ILE A 34 4.031 10.621 -7.100 1.00 62.10 H new ATOM 0 HD12 ILE A 34 4.427 9.490 -5.785 1.00 62.10 H new ATOM 0 HD13 ILE A 34 4.467 8.938 -7.476 1.00 62.10 H new ATOM 547 N VAL A 35 0.924 5.708 -4.424 1.00 32.32 N ATOM 548 CA VAL A 35 0.800 4.366 -3.868 1.00 20.34 C ATOM 549 C VAL A 35 -0.538 3.738 -4.242 1.00 60.44 C ATOM 550 O VAL A 35 -0.621 2.537 -4.501 1.00 5.50 O ATOM 551 CB VAL A 35 0.939 4.378 -2.334 1.00 13.11 C ATOM 552 CG1 VAL A 35 0.781 2.974 -1.772 1.00 32.34 C ATOM 553 CG2 VAL A 35 2.276 4.977 -1.926 1.00 50.51 C ATOM 0 H VAL A 35 1.261 6.409 -3.764 1.00 32.32 H new ATOM 0 HA VAL A 35 1.609 3.771 -4.293 1.00 20.34 H new ATOM 0 HB VAL A 35 0.146 5.000 -1.919 1.00 13.11 H new ATOM 0 HG11 VAL A 35 0.882 3.003 -0.687 1.00 32.34 H new ATOM 0 HG12 VAL A 35 -0.203 2.586 -2.034 1.00 32.34 H new ATOM 0 HG13 VAL A 35 1.550 2.326 -2.191 1.00 32.34 H new ATOM 0 HG21 VAL A 35 2.358 4.978 -0.839 1.00 50.51 H new ATOM 0 HG22 VAL A 35 3.085 4.383 -2.350 1.00 50.51 H new ATOM 0 HG23 VAL A 35 2.344 6.000 -2.296 1.00 50.51 H new ATOM 563 N TRP A 36 -1.583 4.557 -4.267 1.00 43.54 N ATOM 564 CA TRP A 36 -2.919 4.083 -4.609 1.00 71.41 C ATOM 565 C TRP A 36 -2.979 3.628 -6.063 1.00 72.42 C ATOM 566 O TRP A 36 -3.526 2.570 -6.369 1.00 23.41 O ATOM 567 CB TRP A 36 -3.953 5.183 -4.362 1.00 33.22 C ATOM 568 CG TRP A 36 -5.351 4.774 -4.713 1.00 34.25 C ATOM 569 CD1 TRP A 36 -6.149 3.907 -4.024 1.00 70.43 C ATOM 570 CD2 TRP A 36 -6.115 5.215 -5.842 1.00 72.12 C ATOM 571 NE1 TRP A 36 -7.363 3.781 -4.656 1.00 50.34 N ATOM 572 CE2 TRP A 36 -7.367 4.575 -5.772 1.00 23.32 C ATOM 573 CE3 TRP A 36 -5.863 6.089 -6.902 1.00 1.14 C ATOM 574 CZ2 TRP A 36 -8.363 4.782 -6.724 1.00 74.44 C ATOM 575 CZ3 TRP A 36 -6.852 6.294 -7.846 1.00 73.14 C ATOM 576 CH2 TRP A 36 -8.089 5.643 -7.752 1.00 74.30 C ATOM 0 H TRP A 36 -1.531 5.553 -4.054 1.00 43.54 H new ATOM 0 HA TRP A 36 -3.149 3.230 -3.971 1.00 71.41 H new ATOM 0 HB2 TRP A 36 -3.920 5.473 -3.312 1.00 33.22 H new ATOM 0 HB3 TRP A 36 -3.683 6.063 -4.945 1.00 33.22 H new ATOM 0 HD1 TRP A 36 -5.868 3.395 -3.116 1.00 70.43 H new ATOM 0 HE1 TRP A 36 -8.135 3.192 -4.345 1.00 50.34 H new ATOM 0 HE3 TRP A 36 -4.913 6.596 -6.983 1.00 1.14 H new ATOM 0 HZ2 TRP A 36 -9.317 4.281 -6.653 1.00 74.44 H new ATOM 0 HZ3 TRP A 36 -6.668 6.967 -8.670 1.00 73.14 H new ATOM 0 HH2 TRP A 36 -8.841 5.824 -8.506 1.00 74.30 H new ATOM 587 N ALA A 37 -2.414 4.435 -6.954 1.00 12.12 N ATOM 588 CA ALA A 37 -2.402 4.114 -8.377 1.00 74.34 C ATOM 589 C ALA A 37 -1.566 2.867 -8.650 1.00 45.05 C ATOM 590 O ALA A 37 -1.991 1.973 -9.382 1.00 32.50 O ATOM 591 CB ALA A 37 -1.872 5.292 -9.179 1.00 1.34 C ATOM 0 H ALA A 37 -1.958 5.316 -6.717 1.00 12.12 H new ATOM 0 HA ALA A 37 -3.427 3.909 -8.687 1.00 74.34 H new ATOM 0 HB1 ALA A 37 -1.869 5.038 -10.239 1.00 1.34 H new ATOM 0 HB2 ALA A 37 -2.511 6.160 -9.016 1.00 1.34 H new ATOM 0 HB3 ALA A 37 -0.856 5.523 -8.858 1.00 1.34 H new ATOM 597 N SER A 38 -0.378 2.814 -8.058 1.00 41.42 N ATOM 598 CA SER A 38 0.518 1.679 -8.243 1.00 54.14 C ATOM 599 C SER A 38 -0.172 0.374 -7.858 1.00 53.23 C ATOM 600 O SER A 38 0.146 -0.689 -8.391 1.00 11.42 O ATOM 601 CB SER A 38 1.788 1.863 -7.407 1.00 3.44 C ATOM 602 OG SER A 38 1.709 1.136 -6.194 1.00 13.13 O ATOM 0 H SER A 38 -0.013 3.544 -7.446 1.00 41.42 H new ATOM 0 HA SER A 38 0.789 1.630 -9.298 1.00 54.14 H new ATOM 0 HB2 SER A 38 2.655 1.530 -7.978 1.00 3.44 H new ATOM 0 HB3 SER A 38 1.935 2.921 -7.192 1.00 3.44 H new ATOM 0 HG SER A 38 1.008 1.521 -5.627 1.00 13.13 H new ATOM 608 N ARG A 39 -1.117 0.464 -6.929 1.00 42.53 N ATOM 609 CA ARG A 39 -1.853 -0.709 -6.471 1.00 54.01 C ATOM 610 C ARG A 39 -3.005 -1.032 -7.418 1.00 33.34 C ATOM 611 O ARG A 39 -3.357 -2.196 -7.607 1.00 13.51 O ATOM 612 CB ARG A 39 -2.390 -0.481 -5.057 1.00 53.21 C ATOM 613 CG ARG A 39 -1.982 -1.562 -4.070 1.00 71.43 C ATOM 614 CD ARG A 39 -3.051 -2.638 -3.949 1.00 33.22 C ATOM 615 NE ARG A 39 -2.684 -3.856 -4.666 1.00 23.13 N ATOM 616 CZ ARG A 39 -3.507 -4.885 -4.835 1.00 72.02 C ATOM 617 NH1 ARG A 39 -4.736 -4.844 -4.339 1.00 34.44 N ATOM 618 NH2 ARG A 39 -3.100 -5.959 -5.500 1.00 62.24 N ATOM 0 H ARG A 39 -1.392 1.337 -6.478 1.00 42.53 H new ATOM 0 HA ARG A 39 -1.166 -1.556 -6.459 1.00 54.01 H new ATOM 0 HB2 ARG A 39 -2.035 0.484 -4.694 1.00 53.21 H new ATOM 0 HB3 ARG A 39 -3.478 -0.427 -5.095 1.00 53.21 H new ATOM 0 HG2 ARG A 39 -1.044 -2.014 -4.391 1.00 71.43 H new ATOM 0 HG3 ARG A 39 -1.802 -1.115 -3.092 1.00 71.43 H new ATOM 0 HD2 ARG A 39 -3.213 -2.872 -2.897 1.00 33.22 H new ATOM 0 HD3 ARG A 39 -3.995 -2.257 -4.340 1.00 33.22 H new ATOM 0 HE ARG A 39 -1.745 -3.920 -5.058 1.00 23.13 H new ATOM 0 HH11 ARG A 39 -5.052 -4.021 -3.826 1.00 34.44 H new ATOM 0 HH12 ARG A 39 -5.366 -5.636 -4.470 1.00 34.44 H new ATOM 0 HH21 ARG A 39 -2.155 -5.995 -5.882 1.00 62.24 H new ATOM 0 HH22 ARG A 39 -3.732 -6.749 -5.629 1.00 62.24 H new ATOM 632 N GLU A 40 -3.586 0.006 -8.009 1.00 24.04 N ATOM 633 CA GLU A 40 -4.700 -0.168 -8.935 1.00 35.24 C ATOM 634 C GLU A 40 -4.233 -0.829 -10.229 1.00 73.01 C ATOM 635 O GLU A 40 -4.827 -1.804 -10.692 1.00 64.01 O ATOM 636 CB GLU A 40 -5.351 1.181 -9.246 1.00 14.13 C ATOM 637 CG GLU A 40 -6.862 1.111 -9.384 1.00 1.43 C ATOM 638 CD GLU A 40 -7.581 1.976 -8.368 1.00 50.14 C ATOM 639 OE1 GLU A 40 -7.229 1.902 -7.171 1.00 23.04 O ATOM 640 OE2 GLU A 40 -8.495 2.726 -8.767 1.00 45.01 O ATOM 0 H GLU A 40 -3.305 0.976 -7.864 1.00 24.04 H new ATOM 0 HA GLU A 40 -5.436 -0.817 -8.459 1.00 35.24 H new ATOM 0 HB2 GLU A 40 -5.099 1.887 -8.455 1.00 14.13 H new ATOM 0 HB3 GLU A 40 -4.928 1.574 -10.170 1.00 14.13 H new ATOM 0 HG2 GLU A 40 -7.146 1.424 -10.389 1.00 1.43 H new ATOM 0 HG3 GLU A 40 -7.186 0.077 -9.269 1.00 1.43 H new ATOM 647 N LEU A 41 -3.165 -0.293 -10.809 1.00 11.31 N ATOM 648 CA LEU A 41 -2.617 -0.829 -12.050 1.00 2.13 C ATOM 649 C LEU A 41 -2.370 -2.329 -11.932 1.00 24.00 C ATOM 650 O LEU A 41 -2.643 -3.087 -12.863 1.00 54.24 O ATOM 651 CB LEU A 41 -1.314 -0.112 -12.407 1.00 33.23 C ATOM 652 CG LEU A 41 -1.460 1.228 -13.130 1.00 33.20 C ATOM 653 CD1 LEU A 41 -0.099 1.874 -13.337 1.00 22.21 C ATOM 654 CD2 LEU A 41 -2.172 1.040 -14.461 1.00 24.14 C ATOM 0 H LEU A 41 -2.661 0.513 -10.439 1.00 11.31 H new ATOM 0 HA LEU A 41 -3.346 -0.661 -12.843 1.00 2.13 H new ATOM 0 HB2 LEU A 41 -0.751 0.053 -11.489 1.00 33.23 H new ATOM 0 HB3 LEU A 41 -0.717 -0.776 -13.032 1.00 33.23 H new ATOM 0 HG LEU A 41 -2.062 1.891 -12.509 1.00 33.20 H new ATOM 0 HD11 LEU A 41 -0.223 2.826 -13.853 1.00 22.21 H new ATOM 0 HD12 LEU A 41 0.374 2.044 -12.370 1.00 22.21 H new ATOM 0 HD13 LEU A 41 0.529 1.215 -13.937 1.00 22.21 H new ATOM 0 HD21 LEU A 41 -2.267 2.003 -14.962 1.00 24.14 H new ATOM 0 HD22 LEU A 41 -1.596 0.360 -15.089 1.00 24.14 H new ATOM 0 HD23 LEU A 41 -3.163 0.622 -14.287 1.00 24.14 H new ATOM 666 N GLU A 42 -1.853 -2.751 -10.782 1.00 45.40 N ATOM 667 CA GLU A 42 -1.572 -4.161 -10.543 1.00 2.34 C ATOM 668 C GLU A 42 -2.823 -5.009 -10.751 1.00 63.40 C ATOM 669 O GLU A 42 -2.738 -6.182 -11.117 1.00 54.52 O ATOM 670 CB GLU A 42 -1.036 -4.364 -9.124 1.00 51.11 C ATOM 671 CG GLU A 42 0.401 -4.856 -9.081 1.00 60.41 C ATOM 672 CD GLU A 42 0.503 -6.328 -8.726 1.00 53.44 C ATOM 673 OE1 GLU A 42 -0.209 -6.765 -7.798 1.00 53.53 O ATOM 674 OE2 GLU A 42 1.295 -7.041 -9.376 1.00 15.51 O ATOM 0 H GLU A 42 -1.621 -2.136 -10.002 1.00 45.40 H new ATOM 0 HA GLU A 42 -0.815 -4.480 -11.259 1.00 2.34 H new ATOM 0 HB2 GLU A 42 -1.105 -3.422 -8.580 1.00 51.11 H new ATOM 0 HB3 GLU A 42 -1.672 -5.080 -8.603 1.00 51.11 H new ATOM 0 HG2 GLU A 42 0.868 -4.687 -10.051 1.00 60.41 H new ATOM 0 HG3 GLU A 42 0.960 -4.270 -8.351 1.00 60.41 H new ATOM 681 N ARG A 43 -3.985 -4.407 -10.516 1.00 71.10 N ATOM 682 CA ARG A 43 -5.254 -5.106 -10.675 1.00 20.43 C ATOM 683 C ARG A 43 -5.713 -5.074 -12.130 1.00 71.11 C ATOM 684 O ARG A 43 -6.557 -5.870 -12.544 1.00 11.34 O ATOM 685 CB ARG A 43 -6.322 -4.480 -9.778 1.00 44.40 C ATOM 686 CG ARG A 43 -7.394 -5.460 -9.331 1.00 74.52 C ATOM 687 CD ARG A 43 -8.085 -4.990 -8.061 1.00 12.02 C ATOM 688 NE ARG A 43 -9.478 -4.621 -8.300 1.00 52.11 N ATOM 689 CZ ARG A 43 -10.217 -3.938 -7.433 1.00 21.44 C ATOM 690 NH1 ARG A 43 -9.700 -3.552 -6.275 1.00 14.44 N ATOM 691 NH2 ARG A 43 -11.478 -3.642 -7.724 1.00 53.14 N ATOM 0 H ARG A 43 -4.073 -3.436 -10.215 1.00 71.10 H new ATOM 0 HA ARG A 43 -5.107 -6.145 -10.381 1.00 20.43 H new ATOM 0 HB2 ARG A 43 -5.841 -4.055 -8.897 1.00 44.40 H new ATOM 0 HB3 ARG A 43 -6.795 -3.656 -10.312 1.00 44.40 H new ATOM 0 HG2 ARG A 43 -8.132 -5.581 -10.124 1.00 74.52 H new ATOM 0 HG3 ARG A 43 -6.945 -6.439 -9.161 1.00 74.52 H new ATOM 0 HD2 ARG A 43 -8.043 -5.780 -7.312 1.00 12.02 H new ATOM 0 HD3 ARG A 43 -7.548 -4.134 -7.652 1.00 12.02 H new ATOM 0 HE ARG A 43 -9.907 -4.903 -9.181 1.00 52.11 H new ATOM 0 HH11 ARG A 43 -8.732 -3.779 -6.048 1.00 14.44 H new ATOM 0 HH12 ARG A 43 -10.270 -3.028 -5.611 1.00 14.44 H new ATOM 0 HH21 ARG A 43 -11.879 -3.939 -8.613 1.00 53.14 H new ATOM 0 HH22 ARG A 43 -12.045 -3.118 -7.058 1.00 53.14 H new ATOM 705 N PHE A 44 -5.153 -4.148 -12.902 1.00 72.21 N ATOM 706 CA PHE A 44 -5.506 -4.010 -14.309 1.00 5.34 C ATOM 707 C PHE A 44 -4.493 -4.727 -15.197 1.00 22.11 C ATOM 708 O PHE A 44 -4.338 -4.397 -16.372 1.00 11.25 O ATOM 709 CB PHE A 44 -5.583 -2.532 -14.696 1.00 54.04 C ATOM 710 CG PHE A 44 -6.807 -1.837 -14.170 1.00 72.11 C ATOM 711 CD1 PHE A 44 -8.068 -2.367 -14.389 1.00 21.45 C ATOM 712 CD2 PHE A 44 -6.695 -0.655 -13.456 1.00 63.54 C ATOM 713 CE1 PHE A 44 -9.195 -1.730 -13.908 1.00 44.41 C ATOM 714 CE2 PHE A 44 -7.820 -0.014 -12.971 1.00 55.00 C ATOM 715 CZ PHE A 44 -9.071 -0.552 -13.196 1.00 62.43 C ATOM 0 H PHE A 44 -4.453 -3.482 -12.576 1.00 72.21 H new ATOM 0 HA PHE A 44 -6.483 -4.469 -14.458 1.00 5.34 H new ATOM 0 HB2 PHE A 44 -4.696 -2.020 -14.323 1.00 54.04 H new ATOM 0 HB3 PHE A 44 -5.566 -2.448 -15.783 1.00 54.04 H new ATOM 0 HD1 PHE A 44 -8.171 -3.289 -14.942 1.00 21.45 H new ATOM 0 HD2 PHE A 44 -5.719 -0.230 -13.276 1.00 63.54 H new ATOM 0 HE1 PHE A 44 -10.173 -2.152 -14.088 1.00 44.41 H new ATOM 0 HE2 PHE A 44 -7.720 0.907 -12.416 1.00 55.00 H new ATOM 0 HZ PHE A 44 -9.951 -0.054 -12.817 1.00 62.43 H new ATOM 725 N ALA A 45 -3.805 -5.710 -14.625 1.00 40.21 N ATOM 726 CA ALA A 45 -2.808 -6.475 -15.363 1.00 34.14 C ATOM 727 C ALA A 45 -1.640 -5.591 -15.786 1.00 72.13 C ATOM 728 O ALA A 45 -0.922 -5.904 -16.735 1.00 13.03 O ATOM 729 CB ALA A 45 -3.442 -7.132 -16.580 1.00 32.24 C ATOM 0 H ALA A 45 -3.920 -5.995 -13.652 1.00 40.21 H new ATOM 0 HA ALA A 45 -2.421 -7.252 -14.704 1.00 34.14 H new ATOM 0 HB1 ALA A 45 -2.686 -7.700 -17.122 1.00 32.24 H new ATOM 0 HB2 ALA A 45 -4.238 -7.803 -16.258 1.00 32.24 H new ATOM 0 HB3 ALA A 45 -3.857 -6.364 -17.233 1.00 32.24 H new ATOM 735 N VAL A 46 -1.454 -4.483 -15.074 1.00 63.12 N ATOM 736 CA VAL A 46 -0.372 -3.553 -15.374 1.00 20.23 C ATOM 737 C VAL A 46 0.530 -3.350 -14.163 1.00 71.30 C ATOM 738 O VAL A 46 0.068 -2.961 -13.091 1.00 54.11 O ATOM 739 CB VAL A 46 -0.917 -2.187 -15.830 1.00 32.32 C ATOM 740 CG1 VAL A 46 0.223 -1.203 -16.046 1.00 71.33 C ATOM 741 CG2 VAL A 46 -1.747 -2.341 -17.096 1.00 12.21 C ATOM 0 H VAL A 46 -2.039 -4.208 -14.285 1.00 63.12 H new ATOM 0 HA VAL A 46 0.208 -3.993 -16.185 1.00 20.23 H new ATOM 0 HB VAL A 46 -1.562 -1.792 -15.046 1.00 32.32 H new ATOM 0 HG11 VAL A 46 -0.181 -0.243 -16.368 1.00 71.33 H new ATOM 0 HG12 VAL A 46 0.772 -1.071 -15.113 1.00 71.33 H new ATOM 0 HG13 VAL A 46 0.896 -1.589 -16.812 1.00 71.33 H new ATOM 0 HG21 VAL A 46 -2.124 -1.366 -17.404 1.00 12.21 H new ATOM 0 HG22 VAL A 46 -1.126 -2.757 -17.889 1.00 12.21 H new ATOM 0 HG23 VAL A 46 -2.585 -3.010 -16.902 1.00 12.21 H new ATOM 751 N ASN A 47 1.821 -3.615 -14.341 1.00 64.21 N ATOM 752 CA ASN A 47 2.789 -3.461 -13.261 1.00 31.14 C ATOM 753 C ASN A 47 2.996 -1.988 -12.923 1.00 51.22 C ATOM 754 O ASN A 47 3.032 -1.123 -13.798 1.00 2.24 O ATOM 755 CB ASN A 47 4.124 -4.098 -13.651 1.00 34.13 C ATOM 756 CG ASN A 47 4.173 -5.580 -13.332 1.00 62.22 C ATOM 757 OD1 ASN A 47 4.762 -5.991 -12.332 1.00 24.15 O ATOM 758 ND2 ASN A 47 3.552 -6.389 -14.182 1.00 45.12 N ATOM 0 H ASN A 47 2.220 -3.937 -15.223 1.00 64.21 H new ATOM 0 HA ASN A 47 2.396 -3.967 -12.379 1.00 31.14 H new ATOM 0 HB2 ASN A 47 4.295 -3.953 -14.718 1.00 34.13 H new ATOM 0 HB3 ASN A 47 4.933 -3.589 -13.127 1.00 34.13 H new ATOM 0 HD21 ASN A 47 3.550 -7.396 -14.019 1.00 45.12 H new ATOM 0 HD22 ASN A 47 3.077 -6.004 -14.998 1.00 45.12 H new ATOM 765 N PRO A 48 3.136 -1.694 -11.622 1.00 45.54 N ATOM 766 CA PRO A 48 3.343 -0.326 -11.137 1.00 71.11 C ATOM 767 C PRO A 48 4.717 0.220 -11.509 1.00 75.43 C ATOM 768 O PRO A 48 5.009 1.395 -11.290 1.00 33.42 O ATOM 769 CB PRO A 48 3.216 -0.465 -9.618 1.00 60.22 C ATOM 770 CG PRO A 48 3.576 -1.882 -9.336 1.00 61.43 C ATOM 771 CD PRO A 48 3.104 -2.674 -10.524 1.00 61.02 C ATOM 0 HA PRO A 48 2.632 0.374 -11.576 1.00 71.11 H new ATOM 0 HB2 PRO A 48 3.884 0.224 -9.100 1.00 60.22 H new ATOM 0 HB3 PRO A 48 2.204 -0.240 -9.283 1.00 60.22 H new ATOM 0 HG2 PRO A 48 4.652 -1.991 -9.197 1.00 61.43 H new ATOM 0 HG3 PRO A 48 3.099 -2.231 -8.420 1.00 61.43 H new ATOM 0 HD2 PRO A 48 3.756 -3.524 -10.725 1.00 61.02 H new ATOM 0 HD3 PRO A 48 2.101 -3.071 -10.369 1.00 61.02 H new ATOM 779 N GLY A 49 5.559 -0.643 -12.072 1.00 45.13 N ATOM 780 CA GLY A 49 6.893 -0.228 -12.465 1.00 61.21 C ATOM 781 C GLY A 49 6.883 0.680 -13.678 1.00 43.41 C ATOM 782 O GLY A 49 7.913 1.246 -14.047 1.00 34.13 O ATOM 0 H GLY A 49 5.341 -1.621 -12.262 1.00 45.13 H new ATOM 0 HA2 GLY A 49 7.370 0.289 -11.632 1.00 61.21 H new ATOM 0 HA3 GLY A 49 7.496 -1.110 -12.680 1.00 61.21 H new ATOM 786 N LEU A 50 5.718 0.821 -14.301 1.00 12.13 N ATOM 787 CA LEU A 50 5.579 1.667 -15.482 1.00 75.33 C ATOM 788 C LEU A 50 5.246 3.102 -15.087 1.00 30.31 C ATOM 789 O LEU A 50 4.821 3.903 -15.920 1.00 42.31 O ATOM 790 CB LEU A 50 4.492 1.113 -16.404 1.00 3.45 C ATOM 791 CG LEU A 50 4.530 -0.393 -16.660 1.00 60.33 C ATOM 792 CD1 LEU A 50 3.214 -0.869 -17.254 1.00 4.30 C ATOM 793 CD2 LEU A 50 5.691 -0.748 -17.577 1.00 65.40 C ATOM 0 H LEU A 50 4.856 0.361 -14.008 1.00 12.13 H new ATOM 0 HA LEU A 50 6.531 1.668 -16.013 1.00 75.33 H new ATOM 0 HB2 LEU A 50 3.520 1.364 -15.978 1.00 3.45 H new ATOM 0 HB3 LEU A 50 4.562 1.626 -17.363 1.00 3.45 H new ATOM 0 HG LEU A 50 4.677 -0.900 -15.706 1.00 60.33 H new ATOM 0 HD11 LEU A 50 3.261 -1.944 -17.429 1.00 4.30 H new ATOM 0 HD12 LEU A 50 2.402 -0.650 -16.561 1.00 4.30 H new ATOM 0 HD13 LEU A 50 3.034 -0.355 -18.198 1.00 4.30 H new ATOM 0 HD21 LEU A 50 5.703 -1.824 -17.749 1.00 65.40 H new ATOM 0 HD22 LEU A 50 5.574 -0.230 -18.529 1.00 65.40 H new ATOM 0 HD23 LEU A 50 6.629 -0.444 -17.111 1.00 65.40 H new ATOM 805 N LEU A 51 5.443 3.420 -13.813 1.00 74.12 N ATOM 806 CA LEU A 51 5.166 4.760 -13.307 1.00 12.45 C ATOM 807 C LEU A 51 6.460 5.488 -12.956 1.00 11.31 C ATOM 808 O LEU A 51 6.484 6.714 -12.851 1.00 71.02 O ATOM 809 CB LEU A 51 4.260 4.685 -12.077 1.00 1.40 C ATOM 810 CG LEU A 51 2.949 3.918 -12.254 1.00 12.15 C ATOM 811 CD1 LEU A 51 2.472 3.360 -10.923 1.00 54.41 C ATOM 812 CD2 LEU A 51 1.886 4.815 -12.870 1.00 0.55 C ATOM 0 H LEU A 51 5.794 2.768 -13.111 1.00 74.12 H new ATOM 0 HA LEU A 51 4.657 5.320 -14.092 1.00 12.45 H new ATOM 0 HB2 LEU A 51 4.821 4.223 -11.265 1.00 1.40 H new ATOM 0 HB3 LEU A 51 4.023 5.701 -11.763 1.00 1.40 H new ATOM 0 HG LEU A 51 3.128 3.082 -12.931 1.00 12.15 H new ATOM 0 HD11 LEU A 51 1.538 2.818 -11.070 1.00 54.41 H new ATOM 0 HD12 LEU A 51 3.226 2.683 -10.521 1.00 54.41 H new ATOM 0 HD13 LEU A 51 2.310 4.179 -10.222 1.00 54.41 H new ATOM 0 HD21 LEU A 51 0.960 4.253 -12.989 1.00 0.55 H new ATOM 0 HD22 LEU A 51 1.710 5.671 -12.218 1.00 0.55 H new ATOM 0 HD23 LEU A 51 2.226 5.165 -13.845 1.00 0.55 H new ATOM 824 N GLU A 52 7.533 4.725 -12.780 1.00 34.52 N ATOM 825 CA GLU A 52 8.831 5.298 -12.443 1.00 42.31 C ATOM 826 C GLU A 52 9.493 5.908 -13.675 1.00 42.15 C ATOM 827 O GLU A 52 10.372 6.765 -13.563 1.00 31.41 O ATOM 828 CB GLU A 52 9.743 4.231 -11.836 1.00 20.32 C ATOM 829 CG GLU A 52 10.213 3.189 -12.838 1.00 2.53 C ATOM 830 CD GLU A 52 10.474 1.840 -12.199 1.00 75.23 C ATOM 831 OE1 GLU A 52 9.501 1.093 -11.969 1.00 23.45 O ATOM 832 OE2 GLU A 52 11.654 1.531 -11.928 1.00 1.33 O ATOM 0 H GLU A 52 7.530 3.709 -12.865 1.00 34.52 H new ATOM 0 HA GLU A 52 8.671 6.088 -11.709 1.00 42.31 H new ATOM 0 HB2 GLU A 52 10.613 4.717 -11.395 1.00 20.32 H new ATOM 0 HB3 GLU A 52 9.213 3.730 -11.026 1.00 20.32 H new ATOM 0 HG2 GLU A 52 9.461 3.077 -13.619 1.00 2.53 H new ATOM 0 HG3 GLU A 52 11.125 3.540 -13.321 1.00 2.53 H new ATOM 839 N THR A 53 9.065 5.461 -14.851 1.00 13.43 N ATOM 840 CA THR A 53 9.617 5.961 -16.105 1.00 4.30 C ATOM 841 C THR A 53 8.563 6.717 -16.906 1.00 22.11 C ATOM 842 O THR A 53 7.459 6.218 -17.125 1.00 41.25 O ATOM 843 CB THR A 53 10.177 4.815 -16.968 1.00 61.20 C ATOM 844 OG1 THR A 53 9.143 4.276 -17.798 1.00 30.40 O ATOM 845 CG2 THR A 53 10.759 3.715 -16.094 1.00 62.42 C ATOM 0 H THR A 53 8.338 4.754 -14.962 1.00 13.43 H new ATOM 0 HA THR A 53 10.429 6.640 -15.845 1.00 4.30 H new ATOM 0 HB THR A 53 10.972 5.217 -17.596 1.00 61.20 H new ATOM 0 HG1 THR A 53 9.508 3.549 -18.345 1.00 30.40 H new ATOM 0 HG21 THR A 53 11.148 2.916 -16.725 1.00 62.42 H new ATOM 0 HG22 THR A 53 11.566 4.123 -15.485 1.00 62.42 H new ATOM 0 HG23 THR A 53 9.980 3.316 -15.444 1.00 62.42 H new ATOM 853 N SER A 54 8.911 7.923 -17.344 1.00 21.22 N ATOM 854 CA SER A 54 7.993 8.750 -18.119 1.00 32.23 C ATOM 855 C SER A 54 7.386 7.953 -19.270 1.00 12.40 C ATOM 856 O SER A 54 6.232 8.164 -19.644 1.00 55.44 O ATOM 857 CB SER A 54 8.719 9.982 -18.664 1.00 73.43 C ATOM 858 OG SER A 54 9.518 9.648 -19.786 1.00 71.14 O ATOM 0 H SER A 54 9.822 8.349 -17.175 1.00 21.22 H new ATOM 0 HA SER A 54 7.188 9.074 -17.459 1.00 32.23 H new ATOM 0 HB2 SER A 54 7.991 10.742 -18.946 1.00 73.43 H new ATOM 0 HB3 SER A 54 9.345 10.414 -17.883 1.00 73.43 H new ATOM 0 HG SER A 54 9.970 10.452 -20.117 1.00 71.14 H new ATOM 864 N GLU A 55 8.172 7.037 -19.828 1.00 64.15 N ATOM 865 CA GLU A 55 7.711 6.209 -20.937 1.00 15.50 C ATOM 866 C GLU A 55 6.532 5.338 -20.514 1.00 54.45 C ATOM 867 O GLU A 55 5.567 5.176 -21.259 1.00 55.23 O ATOM 868 CB GLU A 55 8.852 5.329 -21.452 1.00 33.23 C ATOM 869 CG GLU A 55 8.520 4.598 -22.742 1.00 32.11 C ATOM 870 CD GLU A 55 8.543 3.090 -22.580 1.00 24.04 C ATOM 871 OE1 GLU A 55 9.545 2.565 -22.053 1.00 52.11 O ATOM 872 OE2 GLU A 55 7.557 2.436 -22.981 1.00 31.22 O ATOM 0 H GLU A 55 9.130 6.850 -19.531 1.00 64.15 H new ATOM 0 HA GLU A 55 7.381 6.870 -21.738 1.00 15.50 H new ATOM 0 HB2 GLU A 55 9.734 5.949 -21.612 1.00 33.23 H new ATOM 0 HB3 GLU A 55 9.110 4.598 -20.686 1.00 33.23 H new ATOM 0 HG2 GLU A 55 7.534 4.908 -23.087 1.00 32.11 H new ATOM 0 HG3 GLU A 55 9.233 4.888 -23.514 1.00 32.11 H new ATOM 879 N GLY A 56 6.619 4.780 -19.310 1.00 31.34 N ATOM 880 CA GLY A 56 5.555 3.932 -18.807 1.00 23.23 C ATOM 881 C GLY A 56 4.285 4.707 -18.515 1.00 2.31 C ATOM 882 O GLY A 56 3.189 4.276 -18.877 1.00 72.24 O ATOM 0 H GLY A 56 7.408 4.900 -18.674 1.00 31.34 H new ATOM 0 HA2 GLY A 56 5.341 3.151 -19.537 1.00 23.23 H new ATOM 0 HA3 GLY A 56 5.891 3.434 -17.897 1.00 23.23 H new ATOM 886 N CYS A 57 4.431 5.852 -17.859 1.00 61.14 N ATOM 887 CA CYS A 57 3.286 6.688 -17.516 1.00 52.21 C ATOM 888 C CYS A 57 2.584 7.191 -18.773 1.00 61.32 C ATOM 889 O CYS A 57 1.427 7.609 -18.723 1.00 11.33 O ATOM 890 CB CYS A 57 3.733 7.874 -16.658 1.00 62.31 C ATOM 891 SG CYS A 57 3.280 7.734 -14.913 1.00 52.02 S ATOM 0 H CYS A 57 5.331 6.223 -17.554 1.00 61.14 H new ATOM 0 HA CYS A 57 2.582 6.081 -16.947 1.00 52.21 H new ATOM 0 HB2 CYS A 57 4.815 7.976 -16.734 1.00 62.31 H new ATOM 0 HB3 CYS A 57 3.297 8.787 -17.064 1.00 62.31 H new ATOM 0 HG CYS A 57 3.490 8.870 -14.318 1.00 52.02 H new ATOM 897 N ARG A 58 3.291 7.147 -19.897 1.00 45.34 N ATOM 898 CA ARG A 58 2.736 7.600 -21.166 1.00 1.30 C ATOM 899 C ARG A 58 1.802 6.548 -21.758 1.00 5.41 C ATOM 900 O ARG A 58 0.722 6.873 -22.254 1.00 34.24 O ATOM 901 CB ARG A 58 3.860 7.914 -22.156 1.00 5.33 C ATOM 902 CG ARG A 58 3.533 9.053 -23.107 1.00 14.12 C ATOM 903 CD ARG A 58 4.758 9.486 -23.898 1.00 11.23 C ATOM 904 NE ARG A 58 4.403 10.333 -25.035 1.00 54.14 N ATOM 905 CZ ARG A 58 3.955 9.861 -26.192 1.00 25.21 C ATOM 906 NH1 ARG A 58 3.806 8.554 -26.366 1.00 61.11 N ATOM 907 NH2 ARG A 58 3.654 10.695 -27.179 1.00 22.23 N ATOM 0 H ARG A 58 4.249 6.802 -19.955 1.00 45.34 H new ATOM 0 HA ARG A 58 2.162 8.507 -20.979 1.00 1.30 H new ATOM 0 HB2 ARG A 58 4.763 8.164 -21.600 1.00 5.33 H new ATOM 0 HB3 ARG A 58 4.081 7.019 -22.737 1.00 5.33 H new ATOM 0 HG2 ARG A 58 2.746 8.741 -23.794 1.00 14.12 H new ATOM 0 HG3 ARG A 58 3.145 9.900 -22.542 1.00 14.12 H new ATOM 0 HD2 ARG A 58 5.441 10.026 -23.242 1.00 11.23 H new ATOM 0 HD3 ARG A 58 5.290 8.604 -24.255 1.00 11.23 H new ATOM 0 HE ARG A 58 4.505 11.343 -24.934 1.00 54.14 H new ATOM 0 HH11 ARG A 58 4.036 7.909 -25.610 1.00 61.11 H new ATOM 0 HH12 ARG A 58 3.462 8.194 -27.256 1.00 61.11 H new ATOM 0 HH21 ARG A 58 3.767 11.700 -27.049 1.00 22.23 H new ATOM 0 HH22 ARG A 58 3.310 10.331 -28.067 1.00 22.23 H new ATOM 921 N GLN A 59 2.225 5.290 -21.701 1.00 1.02 N ATOM 922 CA GLN A 59 1.426 4.192 -22.233 1.00 51.24 C ATOM 923 C GLN A 59 0.131 4.030 -21.445 1.00 72.44 C ATOM 924 O GLN A 59 -0.924 3.749 -22.015 1.00 34.31 O ATOM 925 CB GLN A 59 2.226 2.889 -22.198 1.00 64.52 C ATOM 926 CG GLN A 59 2.176 2.108 -23.501 1.00 0.42 C ATOM 927 CD GLN A 59 3.169 0.964 -23.535 1.00 42.40 C ATOM 928 OE1 GLN A 59 4.006 0.826 -22.642 1.00 22.32 O ATOM 929 NE2 GLN A 59 3.083 0.135 -24.569 1.00 62.13 N ATOM 0 H GLN A 59 3.115 5.005 -21.292 1.00 1.02 H new ATOM 0 HA GLN A 59 1.173 4.427 -23.267 1.00 51.24 H new ATOM 0 HB2 GLN A 59 3.265 3.117 -21.961 1.00 64.52 H new ATOM 0 HB3 GLN A 59 1.846 2.261 -21.393 1.00 64.52 H new ATOM 0 HG2 GLN A 59 1.170 1.715 -23.646 1.00 0.42 H new ATOM 0 HG3 GLN A 59 2.377 2.783 -24.333 1.00 0.42 H new ATOM 0 HE21 GLN A 59 2.374 0.287 -25.287 1.00 62.13 H new ATOM 0 HE22 GLN A 59 3.726 -0.653 -24.646 1.00 62.13 H new ATOM 938 N ILE A 60 0.217 4.208 -20.131 1.00 74.13 N ATOM 939 CA ILE A 60 -0.948 4.082 -19.264 1.00 21.52 C ATOM 940 C ILE A 60 -2.032 5.081 -19.651 1.00 13.42 C ATOM 941 O ILE A 60 -3.167 4.703 -19.943 1.00 70.24 O ATOM 942 CB ILE A 60 -0.575 4.292 -17.785 1.00 42.22 C ATOM 943 CG1 ILE A 60 0.450 3.247 -17.341 1.00 52.14 C ATOM 944 CG2 ILE A 60 -1.818 4.226 -16.911 1.00 43.43 C ATOM 945 CD1 ILE A 60 1.220 3.644 -16.100 1.00 11.34 C ATOM 0 H ILE A 60 1.082 4.440 -19.643 1.00 74.13 H new ATOM 0 HA ILE A 60 -1.329 3.069 -19.393 1.00 21.52 H new ATOM 0 HB ILE A 60 -0.129 5.280 -17.675 1.00 42.22 H new ATOM 0 HG12 ILE A 60 -0.063 2.304 -17.154 1.00 52.14 H new ATOM 0 HG13 ILE A 60 1.154 3.072 -18.155 1.00 52.14 H new ATOM 0 HG21 ILE A 60 -1.538 4.376 -15.868 1.00 43.43 H new ATOM 0 HG22 ILE A 60 -2.518 5.004 -17.215 1.00 43.43 H new ATOM 0 HG23 ILE A 60 -2.290 3.250 -17.023 1.00 43.43 H new ATOM 0 HD11 ILE A 60 1.928 2.856 -15.844 1.00 11.34 H new ATOM 0 HD12 ILE A 60 1.761 4.571 -16.289 1.00 11.34 H new ATOM 0 HD13 ILE A 60 0.526 3.791 -15.273 1.00 11.34 H new ATOM 957 N LEU A 61 -1.674 6.361 -19.654 1.00 3.41 N ATOM 958 CA LEU A 61 -2.615 7.418 -20.007 1.00 4.33 C ATOM 959 C LEU A 61 -3.225 7.167 -21.383 1.00 15.33 C ATOM 960 O LEU A 61 -4.405 7.426 -21.608 1.00 62.15 O ATOM 961 CB LEU A 61 -1.916 8.778 -19.987 1.00 11.12 C ATOM 962 CG LEU A 61 -1.400 9.248 -18.626 1.00 42.02 C ATOM 963 CD1 LEU A 61 -0.239 10.214 -18.799 1.00 34.35 C ATOM 964 CD2 LEU A 61 -2.521 9.896 -17.825 1.00 14.12 C ATOM 0 H LEU A 61 -0.739 6.691 -19.416 1.00 3.41 H new ATOM 0 HA LEU A 61 -3.417 7.418 -19.269 1.00 4.33 H new ATOM 0 HB2 LEU A 61 -1.075 8.742 -20.679 1.00 11.12 H new ATOM 0 HB3 LEU A 61 -2.611 9.527 -20.368 1.00 11.12 H new ATOM 0 HG LEU A 61 -1.042 8.378 -18.075 1.00 42.02 H new ATOM 0 HD11 LEU A 61 0.114 10.537 -17.820 1.00 34.35 H new ATOM 0 HD12 LEU A 61 0.572 9.717 -19.331 1.00 34.35 H new ATOM 0 HD13 LEU A 61 -0.570 11.082 -19.370 1.00 34.35 H new ATOM 0 HD21 LEU A 61 -2.136 10.224 -16.860 1.00 14.12 H new ATOM 0 HD22 LEU A 61 -2.909 10.755 -18.372 1.00 14.12 H new ATOM 0 HD23 LEU A 61 -3.322 9.173 -17.669 1.00 14.12 H new ATOM 976 N GLY A 62 -2.409 6.658 -22.302 1.00 15.24 N ATOM 977 CA GLY A 62 -2.885 6.379 -23.644 1.00 62.31 C ATOM 978 C GLY A 62 -3.923 5.274 -23.672 1.00 3.40 C ATOM 979 O GLY A 62 -4.664 5.135 -24.645 1.00 35.35 O ATOM 0 H GLY A 62 -1.427 6.434 -22.140 1.00 15.24 H new ATOM 0 HA2 GLY A 62 -3.313 7.286 -24.071 1.00 62.31 H new ATOM 0 HA3 GLY A 62 -2.042 6.097 -24.274 1.00 62.31 H new ATOM 983 N GLN A 63 -3.978 4.488 -22.602 1.00 32.32 N ATOM 984 CA GLN A 63 -4.932 3.389 -22.510 1.00 14.03 C ATOM 985 C GLN A 63 -6.240 3.856 -21.879 1.00 31.24 C ATOM 986 O GLN A 63 -7.325 3.533 -22.365 1.00 11.54 O ATOM 987 CB GLN A 63 -4.339 2.239 -21.693 1.00 2.41 C ATOM 988 CG GLN A 63 -3.718 1.145 -22.546 1.00 60.44 C ATOM 989 CD GLN A 63 -4.024 -0.246 -22.025 1.00 53.33 C ATOM 990 OE1 GLN A 63 -4.652 -1.054 -22.709 1.00 14.03 O ATOM 991 NE2 GLN A 63 -3.579 -0.533 -20.806 1.00 2.44 N ATOM 0 H GLN A 63 -3.374 4.592 -21.787 1.00 32.32 H new ATOM 0 HA GLN A 63 -5.142 3.037 -23.520 1.00 14.03 H new ATOM 0 HB2 GLN A 63 -3.581 2.637 -21.018 1.00 2.41 H new ATOM 0 HB3 GLN A 63 -5.122 1.804 -21.072 1.00 2.41 H new ATOM 0 HG2 GLN A 63 -4.085 1.235 -23.569 1.00 60.44 H new ATOM 0 HG3 GLN A 63 -2.638 1.286 -22.581 1.00 60.44 H new ATOM 0 HE21 GLN A 63 -3.062 0.167 -20.274 1.00 2.44 H new ATOM 0 HE22 GLN A 63 -3.754 -1.453 -20.403 1.00 2.44 H new ATOM 1000 N LEU A 64 -6.130 4.614 -20.794 1.00 11.25 N ATOM 1001 CA LEU A 64 -7.305 5.125 -20.096 1.00 11.14 C ATOM 1002 C LEU A 64 -7.974 6.238 -20.898 1.00 34.44 C ATOM 1003 O LEU A 64 -9.197 6.369 -20.893 1.00 4.03 O ATOM 1004 CB LEU A 64 -6.914 5.644 -18.712 1.00 32.11 C ATOM 1005 CG LEU A 64 -6.196 4.648 -17.801 1.00 52.03 C ATOM 1006 CD1 LEU A 64 -5.786 5.316 -16.497 1.00 51.40 C ATOM 1007 CD2 LEU A 64 -7.081 3.440 -17.528 1.00 44.14 C ATOM 0 H LEU A 64 -5.240 4.888 -20.378 1.00 11.25 H new ATOM 0 HA LEU A 64 -8.015 4.306 -19.984 1.00 11.14 H new ATOM 0 HB2 LEU A 64 -6.273 6.516 -18.841 1.00 32.11 H new ATOM 0 HB3 LEU A 64 -7.817 5.984 -18.205 1.00 32.11 H new ATOM 0 HG LEU A 64 -5.295 4.306 -18.309 1.00 52.03 H new ATOM 0 HD11 LEU A 64 -5.276 4.592 -15.862 1.00 51.40 H new ATOM 0 HD12 LEU A 64 -5.114 6.148 -16.710 1.00 51.40 H new ATOM 0 HD13 LEU A 64 -6.673 5.688 -15.984 1.00 51.40 H new ATOM 0 HD21 LEU A 64 -6.553 2.742 -16.878 1.00 44.14 H new ATOM 0 HD22 LEU A 64 -8.000 3.765 -17.041 1.00 44.14 H new ATOM 0 HD23 LEU A 64 -7.324 2.947 -18.469 1.00 44.14 H new ATOM 1019 N GLN A 65 -7.162 7.034 -21.588 1.00 72.54 N ATOM 1020 CA GLN A 65 -7.676 8.133 -22.395 1.00 2.40 C ATOM 1021 C GLN A 65 -8.886 7.690 -23.212 1.00 40.00 C ATOM 1022 O GLN A 65 -9.987 8.221 -23.072 1.00 24.35 O ATOM 1023 CB GLN A 65 -6.585 8.665 -23.326 1.00 31.30 C ATOM 1024 CG GLN A 65 -6.002 9.997 -22.882 1.00 72.45 C ATOM 1025 CD GLN A 65 -5.301 10.730 -24.008 1.00 54.52 C ATOM 1026 OE1 GLN A 65 -5.736 10.687 -25.158 1.00 1.05 O ATOM 1027 NE2 GLN A 65 -4.208 11.412 -23.680 1.00 34.44 N ATOM 0 H GLN A 65 -6.147 6.938 -21.604 1.00 72.54 H new ATOM 0 HA GLN A 65 -7.988 8.930 -21.720 1.00 2.40 H new ATOM 0 HB2 GLN A 65 -5.783 7.930 -23.389 1.00 31.30 H new ATOM 0 HB3 GLN A 65 -6.997 8.775 -24.329 1.00 31.30 H new ATOM 0 HG2 GLN A 65 -6.800 10.625 -22.486 1.00 72.45 H new ATOM 0 HG3 GLN A 65 -5.296 9.828 -22.069 1.00 72.45 H new ATOM 0 HE21 GLN A 65 -3.883 11.420 -22.713 1.00 34.44 H new ATOM 0 HE22 GLN A 65 -3.695 11.927 -24.395 1.00 34.44 H new ATOM 1036 N PRO A 66 -8.678 6.693 -24.085 1.00 12.21 N ATOM 1037 CA PRO A 66 -9.739 6.156 -24.941 1.00 12.44 C ATOM 1038 C PRO A 66 -10.783 5.377 -24.150 1.00 22.51 C ATOM 1039 O PRO A 66 -11.864 5.078 -24.657 1.00 63.40 O ATOM 1040 CB PRO A 66 -8.988 5.227 -25.897 1.00 24.41 C ATOM 1041 CG PRO A 66 -7.761 4.829 -25.152 1.00 14.25 C ATOM 1042 CD PRO A 66 -7.390 6.014 -24.303 1.00 33.34 C ATOM 0 HA PRO A 66 -10.296 6.946 -25.444 1.00 12.44 H new ATOM 0 HB2 PRO A 66 -9.591 4.358 -26.160 1.00 24.41 H new ATOM 0 HB3 PRO A 66 -8.738 5.735 -26.828 1.00 24.41 H new ATOM 0 HG2 PRO A 66 -7.947 3.950 -24.535 1.00 14.25 H new ATOM 0 HG3 PRO A 66 -6.954 4.572 -25.838 1.00 14.25 H new ATOM 0 HD2 PRO A 66 -6.933 5.707 -23.362 1.00 33.34 H new ATOM 0 HD3 PRO A 66 -6.674 6.662 -24.808 1.00 33.34 H new ATOM 1050 N SER A 67 -10.453 5.049 -22.905 1.00 40.54 N ATOM 1051 CA SER A 67 -11.361 4.300 -22.044 1.00 41.30 C ATOM 1052 C SER A 67 -12.186 5.244 -21.174 1.00 75.35 C ATOM 1053 O SER A 67 -13.083 4.813 -20.447 1.00 22.01 O ATOM 1054 CB SER A 67 -10.576 3.329 -21.161 1.00 45.14 C ATOM 1055 OG SER A 67 -9.921 2.345 -21.942 1.00 1.41 O ATOM 0 H SER A 67 -9.563 5.290 -22.470 1.00 40.54 H new ATOM 0 HA SER A 67 -12.040 3.732 -22.680 1.00 41.30 H new ATOM 0 HB2 SER A 67 -9.841 3.880 -20.573 1.00 45.14 H new ATOM 0 HB3 SER A 67 -11.252 2.847 -20.455 1.00 45.14 H new ATOM 0 HG SER A 67 -9.012 2.646 -22.152 1.00 1.41 H new ATOM 1061 N LEU A 68 -11.875 6.534 -21.251 1.00 21.33 N ATOM 1062 CA LEU A 68 -12.587 7.540 -20.471 1.00 73.12 C ATOM 1063 C LEU A 68 -14.074 7.543 -20.813 1.00 54.22 C ATOM 1064 O LEU A 68 -14.914 7.839 -19.964 1.00 1.14 O ATOM 1065 CB LEU A 68 -11.990 8.926 -20.723 1.00 23.24 C ATOM 1066 CG LEU A 68 -10.676 9.232 -20.005 1.00 71.43 C ATOM 1067 CD1 LEU A 68 -9.963 10.399 -20.669 1.00 2.12 C ATOM 1068 CD2 LEU A 68 -10.929 9.526 -18.533 1.00 54.11 C ATOM 0 H LEU A 68 -11.135 6.907 -21.845 1.00 21.33 H new ATOM 0 HA LEU A 68 -12.477 7.291 -19.416 1.00 73.12 H new ATOM 0 HB2 LEU A 68 -11.830 9.041 -21.795 1.00 23.24 H new ATOM 0 HB3 LEU A 68 -12.725 9.675 -20.428 1.00 23.24 H new ATOM 0 HG LEU A 68 -10.033 8.354 -20.075 1.00 71.43 H new ATOM 0 HD11 LEU A 68 -9.030 10.602 -20.144 1.00 2.12 H new ATOM 0 HD12 LEU A 68 -9.748 10.150 -21.708 1.00 2.12 H new ATOM 0 HD13 LEU A 68 -10.600 11.283 -20.632 1.00 2.12 H new ATOM 0 HD21 LEU A 68 -9.983 9.742 -18.037 1.00 54.11 H new ATOM 0 HD22 LEU A 68 -11.591 10.387 -18.443 1.00 54.11 H new ATOM 0 HD23 LEU A 68 -11.395 8.660 -18.064 1.00 54.11 H new ATOM 1080 N GLN A 69 -14.389 7.211 -22.061 1.00 43.34 N ATOM 1081 CA GLN A 69 -15.774 7.175 -22.513 1.00 3.24 C ATOM 1082 C GLN A 69 -16.633 6.334 -21.575 1.00 61.35 C ATOM 1083 O GLN A 69 -17.717 6.750 -21.166 1.00 3.41 O ATOM 1084 CB GLN A 69 -15.853 6.615 -23.935 1.00 65.53 C ATOM 1085 CG GLN A 69 -16.840 7.353 -24.825 1.00 11.41 C ATOM 1086 CD GLN A 69 -17.298 6.520 -26.006 1.00 61.24 C ATOM 1087 OE1 GLN A 69 -16.497 5.847 -26.655 1.00 54.53 O ATOM 1088 NE2 GLN A 69 -18.595 6.559 -26.291 1.00 52.25 N ATOM 0 H GLN A 69 -13.705 6.964 -22.776 1.00 43.34 H new ATOM 0 HA GLN A 69 -16.157 8.195 -22.509 1.00 3.24 H new ATOM 0 HB2 GLN A 69 -14.863 6.659 -24.390 1.00 65.53 H new ATOM 0 HB3 GLN A 69 -16.135 5.563 -23.887 1.00 65.53 H new ATOM 0 HG2 GLN A 69 -17.708 7.646 -24.234 1.00 11.41 H new ATOM 0 HG3 GLN A 69 -16.378 8.271 -25.190 1.00 11.41 H new ATOM 0 HE21 GLN A 69 -19.224 7.130 -25.727 1.00 52.25 H new ATOM 0 HE22 GLN A 69 -18.962 6.018 -27.074 1.00 52.25 H new ATOM 1097 N THR A 70 -16.141 5.147 -21.235 1.00 73.21 N ATOM 1098 CA THR A 70 -16.862 4.246 -20.345 1.00 64.45 C ATOM 1099 C THR A 70 -16.020 3.885 -19.127 1.00 22.44 C ATOM 1100 O THR A 70 -15.977 2.727 -18.711 1.00 22.13 O ATOM 1101 CB THR A 70 -17.277 2.952 -21.071 1.00 12.21 C ATOM 1102 OG1 THR A 70 -16.130 2.334 -21.665 1.00 53.31 O ATOM 1103 CG2 THR A 70 -18.315 3.242 -22.144 1.00 61.11 C ATOM 0 H THR A 70 -15.245 4.787 -21.563 1.00 73.21 H new ATOM 0 HA THR A 70 -17.758 4.774 -20.019 1.00 64.45 H new ATOM 0 HB THR A 70 -17.715 2.275 -20.338 1.00 12.21 H new ATOM 0 HG1 THR A 70 -16.402 1.511 -22.123 1.00 53.31 H new ATOM 0 HG21 THR A 70 -18.592 2.313 -22.643 1.00 61.11 H new ATOM 0 HG22 THR A 70 -19.199 3.685 -21.685 1.00 61.11 H new ATOM 0 HG23 THR A 70 -17.899 3.936 -22.875 1.00 61.11 H new ATOM 1111 N GLY A 71 -15.353 4.883 -18.557 1.00 75.22 N ATOM 1112 CA GLY A 71 -14.520 4.649 -17.391 1.00 43.22 C ATOM 1113 C GLY A 71 -15.181 5.107 -16.106 1.00 3.32 C ATOM 1114 O GLY A 71 -15.437 6.297 -15.923 1.00 52.42 O ATOM 0 H GLY A 71 -15.374 5.850 -18.881 1.00 75.22 H new ATOM 0 HA2 GLY A 71 -14.291 3.586 -17.319 1.00 43.22 H new ATOM 0 HA3 GLY A 71 -13.572 5.172 -17.515 1.00 43.22 H new ATOM 1118 N SER A 72 -15.459 4.161 -15.216 1.00 64.12 N ATOM 1119 CA SER A 72 -16.100 4.473 -13.944 1.00 54.55 C ATOM 1120 C SER A 72 -15.256 5.455 -13.136 1.00 33.12 C ATOM 1121 O SER A 72 -14.245 5.963 -13.620 1.00 35.12 O ATOM 1122 CB SER A 72 -16.328 3.194 -13.135 1.00 12.42 C ATOM 1123 OG SER A 72 -15.198 2.889 -12.335 1.00 3.44 O ATOM 0 H SER A 72 -15.251 3.172 -15.352 1.00 64.12 H new ATOM 0 HA SER A 72 -17.063 4.937 -14.156 1.00 54.55 H new ATOM 0 HB2 SER A 72 -17.206 3.313 -12.500 1.00 12.42 H new ATOM 0 HB3 SER A 72 -16.534 2.364 -13.811 1.00 12.42 H new ATOM 0 HG SER A 72 -15.369 2.069 -11.827 1.00 3.44 H new ATOM 1129 N GLU A 73 -15.678 5.716 -11.903 1.00 14.02 N ATOM 1130 CA GLU A 73 -14.961 6.637 -11.030 1.00 61.13 C ATOM 1131 C GLU A 73 -13.557 6.120 -10.729 1.00 72.24 C ATOM 1132 O GLU A 73 -12.653 6.894 -10.416 1.00 4.43 O ATOM 1133 CB GLU A 73 -15.732 6.840 -9.724 1.00 72.14 C ATOM 1134 CG GLU A 73 -17.002 7.658 -9.888 1.00 74.33 C ATOM 1135 CD GLU A 73 -16.745 9.151 -9.838 1.00 41.32 C ATOM 1136 OE1 GLU A 73 -15.787 9.566 -9.152 1.00 50.33 O ATOM 1137 OE2 GLU A 73 -17.501 9.905 -10.486 1.00 62.14 O ATOM 0 H GLU A 73 -16.512 5.303 -11.486 1.00 14.02 H new ATOM 0 HA GLU A 73 -14.874 7.593 -11.546 1.00 61.13 H new ATOM 0 HB2 GLU A 73 -15.989 5.866 -9.308 1.00 72.14 H new ATOM 0 HB3 GLU A 73 -15.082 7.334 -9.001 1.00 72.14 H new ATOM 0 HG2 GLU A 73 -17.472 7.406 -10.839 1.00 74.33 H new ATOM 0 HG3 GLU A 73 -17.707 7.388 -9.102 1.00 74.33 H new ATOM 1144 N GLU A 74 -13.384 4.805 -10.825 1.00 55.52 N ATOM 1145 CA GLU A 74 -12.090 4.185 -10.562 1.00 41.14 C ATOM 1146 C GLU A 74 -11.068 4.589 -11.620 1.00 71.20 C ATOM 1147 O GLU A 74 -9.876 4.715 -11.332 1.00 1.55 O ATOM 1148 CB GLU A 74 -12.229 2.661 -10.526 1.00 13.44 C ATOM 1149 CG GLU A 74 -11.150 1.971 -9.709 1.00 50.24 C ATOM 1150 CD GLU A 74 -11.468 0.514 -9.435 1.00 41.51 C ATOM 1151 OE1 GLU A 74 -12.491 0.244 -8.771 1.00 14.30 O ATOM 1152 OE2 GLU A 74 -10.693 -0.357 -9.885 1.00 42.32 O ATOM 0 H GLU A 74 -14.122 4.150 -11.082 1.00 55.52 H new ATOM 0 HA GLU A 74 -11.738 4.534 -9.591 1.00 41.14 H new ATOM 0 HB2 GLU A 74 -13.205 2.403 -10.115 1.00 13.44 H new ATOM 0 HB3 GLU A 74 -12.202 2.278 -11.546 1.00 13.44 H new ATOM 0 HG2 GLU A 74 -10.200 2.038 -10.239 1.00 50.24 H new ATOM 0 HG3 GLU A 74 -11.025 2.496 -8.762 1.00 50.24 H new ATOM 1159 N LEU A 75 -11.540 4.791 -12.845 1.00 64.34 N ATOM 1160 CA LEU A 75 -10.668 5.180 -13.947 1.00 44.53 C ATOM 1161 C LEU A 75 -10.425 6.687 -13.943 1.00 23.32 C ATOM 1162 O LEU A 75 -9.374 7.157 -14.378 1.00 74.11 O ATOM 1163 CB LEU A 75 -11.280 4.755 -15.283 1.00 62.13 C ATOM 1164 CG LEU A 75 -10.343 4.788 -16.491 1.00 45.51 C ATOM 1165 CD1 LEU A 75 -10.647 3.633 -17.433 1.00 71.43 C ATOM 1166 CD2 LEU A 75 -10.460 6.118 -17.221 1.00 3.31 C ATOM 0 H LEU A 75 -12.523 4.692 -13.100 1.00 64.34 H new ATOM 0 HA LEU A 75 -9.711 4.675 -13.816 1.00 44.53 H new ATOM 0 HB2 LEU A 75 -11.667 3.742 -15.176 1.00 62.13 H new ATOM 0 HB3 LEU A 75 -12.132 5.402 -15.492 1.00 62.13 H new ATOM 0 HG LEU A 75 -9.318 4.681 -16.135 1.00 45.51 H new ATOM 0 HD11 LEU A 75 -9.971 3.672 -18.287 1.00 71.43 H new ATOM 0 HD12 LEU A 75 -10.512 2.688 -16.906 1.00 71.43 H new ATOM 0 HD13 LEU A 75 -11.677 3.709 -17.782 1.00 71.43 H new ATOM 0 HD21 LEU A 75 -9.786 6.123 -18.078 1.00 3.31 H new ATOM 0 HD22 LEU A 75 -11.485 6.255 -17.565 1.00 3.31 H new ATOM 0 HD23 LEU A 75 -10.193 6.929 -16.544 1.00 3.31 H new ATOM 1178 N ARG A 76 -11.404 7.437 -13.447 1.00 12.22 N ATOM 1179 CA ARG A 76 -11.296 8.889 -13.385 1.00 11.50 C ATOM 1180 C ARG A 76 -10.139 9.311 -12.483 1.00 22.22 C ATOM 1181 O ARG A 76 -9.249 10.052 -12.903 1.00 44.12 O ATOM 1182 CB ARG A 76 -12.603 9.498 -12.874 1.00 11.13 C ATOM 1183 CG ARG A 76 -13.460 10.108 -13.970 1.00 23.02 C ATOM 1184 CD ARG A 76 -14.770 10.649 -13.418 1.00 71.41 C ATOM 1185 NE ARG A 76 -15.258 11.791 -14.185 1.00 24.23 N ATOM 1186 CZ ARG A 76 -14.745 13.013 -14.091 1.00 45.03 C ATOM 1187 NH1 ARG A 76 -13.735 13.249 -13.266 1.00 11.22 N ATOM 1188 NH2 ARG A 76 -15.244 14.001 -14.822 1.00 1.01 N ATOM 0 H ARG A 76 -12.280 7.063 -13.083 1.00 12.22 H new ATOM 0 HA ARG A 76 -11.101 9.256 -14.393 1.00 11.50 H new ATOM 0 HB2 ARG A 76 -13.178 8.726 -12.362 1.00 11.13 H new ATOM 0 HB3 ARG A 76 -12.372 10.266 -12.136 1.00 11.13 H new ATOM 0 HG2 ARG A 76 -12.910 10.913 -14.458 1.00 23.02 H new ATOM 0 HG3 ARG A 76 -13.668 9.356 -14.732 1.00 23.02 H new ATOM 0 HD2 ARG A 76 -15.521 9.859 -13.427 1.00 71.41 H new ATOM 0 HD3 ARG A 76 -14.631 10.944 -12.378 1.00 71.41 H new ATOM 0 HE ARG A 76 -16.035 11.643 -14.828 1.00 24.23 H new ATOM 0 HH11 ARG A 76 -13.350 12.492 -12.702 1.00 11.22 H new ATOM 0 HH12 ARG A 76 -13.343 14.188 -13.196 1.00 11.22 H new ATOM 0 HH21 ARG A 76 -16.022 13.823 -15.457 1.00 1.01 H new ATOM 0 HH22 ARG A 76 -14.850 14.939 -14.749 1.00 1.01 H new ATOM 1202 N SER A 77 -10.159 8.834 -11.243 1.00 75.33 N ATOM 1203 CA SER A 77 -9.114 9.165 -10.281 1.00 72.53 C ATOM 1204 C SER A 77 -7.736 8.812 -10.832 1.00 0.24 C ATOM 1205 O SER A 77 -6.799 9.607 -10.749 1.00 50.12 O ATOM 1206 CB SER A 77 -9.353 8.425 -8.962 1.00 1.43 C ATOM 1207 OG SER A 77 -10.230 9.154 -8.121 1.00 62.10 O ATOM 0 H SER A 77 -10.886 8.218 -10.881 1.00 75.33 H new ATOM 0 HA SER A 77 -9.149 10.239 -10.099 1.00 72.53 H new ATOM 0 HB2 SER A 77 -9.773 7.440 -9.165 1.00 1.43 H new ATOM 0 HB3 SER A 77 -8.403 8.267 -8.452 1.00 1.43 H new ATOM 0 HG SER A 77 -10.368 8.660 -7.286 1.00 62.10 H new ATOM 1213 N LEU A 78 -7.620 7.615 -11.396 1.00 54.23 N ATOM 1214 CA LEU A 78 -6.357 7.155 -11.961 1.00 32.05 C ATOM 1215 C LEU A 78 -5.844 8.131 -13.016 1.00 3.43 C ATOM 1216 O LEU A 78 -4.724 8.634 -12.919 1.00 4.43 O ATOM 1217 CB LEU A 78 -6.527 5.766 -12.577 1.00 30.55 C ATOM 1218 CG LEU A 78 -5.942 4.600 -11.778 1.00 45.53 C ATOM 1219 CD1 LEU A 78 -4.464 4.830 -11.503 1.00 2.14 C ATOM 1220 CD2 LEU A 78 -6.706 4.412 -10.475 1.00 12.51 C ATOM 0 H LEU A 78 -8.386 6.945 -11.474 1.00 54.23 H new ATOM 0 HA LEU A 78 -5.625 7.102 -11.155 1.00 32.05 H new ATOM 0 HB2 LEU A 78 -7.592 5.583 -12.722 1.00 30.55 H new ATOM 0 HB3 LEU A 78 -6.067 5.770 -13.565 1.00 30.55 H new ATOM 0 HG LEU A 78 -6.043 3.691 -12.370 1.00 45.53 H new ATOM 0 HD11 LEU A 78 -4.065 3.991 -10.934 1.00 2.14 H new ATOM 0 HD12 LEU A 78 -3.927 4.916 -12.448 1.00 2.14 H new ATOM 0 HD13 LEU A 78 -4.339 5.749 -10.930 1.00 2.14 H new ATOM 0 HD21 LEU A 78 -6.277 3.579 -9.919 1.00 12.51 H new ATOM 0 HD22 LEU A 78 -6.636 5.321 -9.878 1.00 12.51 H new ATOM 0 HD23 LEU A 78 -7.753 4.201 -10.694 1.00 12.51 H new ATOM 1232 N TYR A 79 -6.673 8.398 -14.020 1.00 75.34 N ATOM 1233 CA TYR A 79 -6.304 9.314 -15.092 1.00 10.14 C ATOM 1234 C TYR A 79 -5.827 10.649 -14.528 1.00 51.42 C ATOM 1235 O TYR A 79 -4.737 11.118 -14.851 1.00 11.40 O ATOM 1236 CB TYR A 79 -7.491 9.540 -16.030 1.00 31.42 C ATOM 1237 CG TYR A 79 -7.117 10.220 -17.328 1.00 61.22 C ATOM 1238 CD1 TYR A 79 -6.242 9.617 -18.223 1.00 3.45 C ATOM 1239 CD2 TYR A 79 -7.638 11.464 -17.658 1.00 4.44 C ATOM 1240 CE1 TYR A 79 -5.897 10.235 -19.409 1.00 4.13 C ATOM 1241 CE2 TYR A 79 -7.300 12.089 -18.843 1.00 44.24 C ATOM 1242 CZ TYR A 79 -6.429 11.470 -19.715 1.00 22.04 C ATOM 1243 OH TYR A 79 -6.088 12.090 -20.896 1.00 42.20 O ATOM 0 H TYR A 79 -7.604 7.993 -14.113 1.00 75.34 H new ATOM 0 HA TYR A 79 -5.486 8.864 -15.654 1.00 10.14 H new ATOM 0 HB2 TYR A 79 -7.955 8.579 -16.254 1.00 31.42 H new ATOM 0 HB3 TYR A 79 -8.239 10.143 -15.516 1.00 31.42 H new ATOM 0 HD1 TYR A 79 -5.825 8.649 -17.987 1.00 3.45 H new ATOM 0 HD2 TYR A 79 -8.319 11.952 -16.977 1.00 4.44 H new ATOM 0 HE1 TYR A 79 -5.214 9.754 -20.093 1.00 4.13 H new ATOM 0 HE2 TYR A 79 -7.715 13.056 -19.085 1.00 44.24 H new ATOM 0 HH TYR A 79 -6.550 12.952 -20.958 1.00 42.20 H new ATOM 1253 N ASN A 80 -6.653 11.256 -13.682 1.00 40.12 N ATOM 1254 CA ASN A 80 -6.318 12.537 -13.071 1.00 32.55 C ATOM 1255 C ASN A 80 -4.932 12.489 -12.434 1.00 54.54 C ATOM 1256 O ASN A 80 -4.053 13.283 -12.770 1.00 12.53 O ATOM 1257 CB ASN A 80 -7.363 12.913 -12.020 1.00 53.42 C ATOM 1258 CG ASN A 80 -8.497 13.735 -12.600 1.00 20.31 C ATOM 1259 OD1 ASN A 80 -8.809 13.631 -13.787 1.00 63.15 O ATOM 1260 ND2 ASN A 80 -9.121 14.557 -11.764 1.00 32.05 N ATOM 0 H ASN A 80 -7.560 10.881 -13.404 1.00 40.12 H new ATOM 0 HA ASN A 80 -6.312 13.295 -13.854 1.00 32.55 H new ATOM 0 HB2 ASN A 80 -7.768 12.005 -11.573 1.00 53.42 H new ATOM 0 HB3 ASN A 80 -6.883 13.476 -11.219 1.00 53.42 H new ATOM 0 HD21 ASN A 80 -9.893 15.135 -12.098 1.00 32.05 H new ATOM 0 HD22 ASN A 80 -8.829 14.611 -10.788 1.00 32.05 H new ATOM 1267 N THR A 81 -4.744 11.550 -11.511 1.00 14.43 N ATOM 1268 CA THR A 81 -3.466 11.399 -10.826 1.00 42.44 C ATOM 1269 C THR A 81 -2.339 11.127 -11.816 1.00 65.43 C ATOM 1270 O THR A 81 -1.391 11.905 -11.920 1.00 72.42 O ATOM 1271 CB THR A 81 -3.515 10.257 -9.794 1.00 71.31 C ATOM 1272 OG1 THR A 81 -4.616 10.450 -8.899 1.00 10.44 O ATOM 1273 CG2 THR A 81 -2.218 10.187 -9.002 1.00 73.00 C ATOM 0 H THR A 81 -5.460 10.884 -11.221 1.00 14.43 H new ATOM 0 HA THR A 81 -3.271 12.339 -10.309 1.00 42.44 H new ATOM 0 HB THR A 81 -3.646 9.318 -10.332 1.00 71.31 H new ATOM 0 HG1 THR A 81 -5.450 10.200 -9.348 1.00 10.44 H new ATOM 0 HG21 THR A 81 -2.276 9.373 -8.279 1.00 73.00 H new ATOM 0 HG22 THR A 81 -1.385 10.009 -9.682 1.00 73.00 H new ATOM 0 HG23 THR A 81 -2.062 11.129 -8.476 1.00 73.00 H new ATOM 1281 N ILE A 82 -2.451 10.020 -12.542 1.00 73.11 N ATOM 1282 CA ILE A 82 -1.442 9.647 -13.525 1.00 12.21 C ATOM 1283 C ILE A 82 -1.051 10.840 -14.390 1.00 31.22 C ATOM 1284 O ILE A 82 0.131 11.076 -14.643 1.00 62.30 O ATOM 1285 CB ILE A 82 -1.937 8.507 -14.436 1.00 71.02 C ATOM 1286 CG1 ILE A 82 -2.261 7.265 -13.603 1.00 65.51 C ATOM 1287 CG2 ILE A 82 -0.893 8.185 -15.495 1.00 62.30 C ATOM 1288 CD1 ILE A 82 -3.216 6.312 -14.287 1.00 33.35 C ATOM 0 H ILE A 82 -3.230 9.366 -12.468 1.00 73.11 H new ATOM 0 HA ILE A 82 -0.570 9.303 -12.968 1.00 12.21 H new ATOM 0 HB ILE A 82 -2.848 8.832 -14.939 1.00 71.02 H new ATOM 0 HG12 ILE A 82 -1.334 6.738 -13.376 1.00 65.51 H new ATOM 0 HG13 ILE A 82 -2.691 7.577 -12.652 1.00 65.51 H new ATOM 0 HG21 ILE A 82 -1.257 7.378 -16.131 1.00 62.30 H new ATOM 0 HG22 ILE A 82 -0.707 9.070 -16.103 1.00 62.30 H new ATOM 0 HG23 ILE A 82 0.033 7.876 -15.011 1.00 62.30 H new ATOM 0 HD11 ILE A 82 -3.401 5.455 -13.639 1.00 33.35 H new ATOM 0 HD12 ILE A 82 -4.157 6.823 -14.490 1.00 33.35 H new ATOM 0 HD13 ILE A 82 -2.779 5.970 -15.225 1.00 33.35 H new ATOM 1300 N ALA A 83 -2.050 11.590 -14.840 1.00 11.54 N ATOM 1301 CA ALA A 83 -1.810 12.762 -15.674 1.00 3.31 C ATOM 1302 C ALA A 83 -0.768 13.680 -15.045 1.00 74.14 C ATOM 1303 O ALA A 83 0.189 14.091 -15.701 1.00 33.14 O ATOM 1304 CB ALA A 83 -3.109 13.518 -15.907 1.00 5.54 C ATOM 0 H ALA A 83 -3.034 11.408 -14.642 1.00 11.54 H new ATOM 0 HA ALA A 83 -1.423 12.421 -16.634 1.00 3.31 H new ATOM 0 HB1 ALA A 83 -2.915 14.390 -16.531 1.00 5.54 H new ATOM 0 HB2 ALA A 83 -3.825 12.866 -16.407 1.00 5.54 H new ATOM 0 HB3 ALA A 83 -3.519 13.840 -14.950 1.00 5.54 H new ATOM 1310 N VAL A 84 -0.959 13.998 -13.768 1.00 32.24 N ATOM 1311 CA VAL A 84 -0.035 14.867 -13.051 1.00 72.24 C ATOM 1312 C VAL A 84 1.344 14.226 -12.933 1.00 24.50 C ATOM 1313 O VAL A 84 2.363 14.863 -13.207 1.00 64.35 O ATOM 1314 CB VAL A 84 -0.557 15.199 -11.640 1.00 35.40 C ATOM 1315 CG1 VAL A 84 0.432 16.086 -10.899 1.00 33.20 C ATOM 1316 CG2 VAL A 84 -1.923 15.861 -11.720 1.00 1.43 C ATOM 0 H VAL A 84 -1.746 13.666 -13.210 1.00 32.24 H new ATOM 0 HA VAL A 84 0.044 15.789 -13.627 1.00 72.24 H new ATOM 0 HB VAL A 84 -0.662 14.268 -11.082 1.00 35.40 H new ATOM 0 HG11 VAL A 84 0.046 16.310 -9.905 1.00 33.20 H new ATOM 0 HG12 VAL A 84 1.388 15.570 -10.809 1.00 33.20 H new ATOM 0 HG13 VAL A 84 0.572 17.015 -11.451 1.00 33.20 H new ATOM 0 HG21 VAL A 84 -2.277 16.089 -10.714 1.00 1.43 H new ATOM 0 HG22 VAL A 84 -1.847 16.784 -12.295 1.00 1.43 H new ATOM 0 HG23 VAL A 84 -2.626 15.186 -12.208 1.00 1.43 H new ATOM 1326 N LEU A 85 1.369 12.962 -12.526 1.00 1.11 N ATOM 1327 CA LEU A 85 2.622 12.232 -12.372 1.00 14.11 C ATOM 1328 C LEU A 85 3.435 12.266 -13.663 1.00 2.31 C ATOM 1329 O LEU A 85 4.593 12.684 -13.669 1.00 24.15 O ATOM 1330 CB LEU A 85 2.346 10.782 -11.969 1.00 10.44 C ATOM 1331 CG LEU A 85 3.530 10.012 -11.385 1.00 64.35 C ATOM 1332 CD1 LEU A 85 3.845 10.502 -9.980 1.00 12.40 C ATOM 1333 CD2 LEU A 85 3.241 8.517 -11.377 1.00 41.15 C ATOM 0 H LEU A 85 0.535 12.421 -12.297 1.00 1.11 H new ATOM 0 HA LEU A 85 3.201 12.717 -11.586 1.00 14.11 H new ATOM 0 HB2 LEU A 85 1.538 10.777 -11.237 1.00 10.44 H new ATOM 0 HB3 LEU A 85 1.985 10.244 -12.846 1.00 10.44 H new ATOM 0 HG LEU A 85 4.402 10.191 -12.014 1.00 64.35 H new ATOM 0 HD11 LEU A 85 4.691 9.942 -9.580 1.00 12.40 H new ATOM 0 HD12 LEU A 85 4.094 11.563 -10.012 1.00 12.40 H new ATOM 0 HD13 LEU A 85 2.976 10.353 -9.339 1.00 12.40 H new ATOM 0 HD21 LEU A 85 4.094 7.984 -10.958 1.00 41.15 H new ATOM 0 HD22 LEU A 85 2.357 8.321 -10.770 1.00 41.15 H new ATOM 0 HD23 LEU A 85 3.065 8.175 -12.397 1.00 41.15 H new ATOM 1345 N TYR A 86 2.818 11.827 -14.755 1.00 11.34 N ATOM 1346 CA TYR A 86 3.483 11.807 -16.053 1.00 54.43 C ATOM 1347 C TYR A 86 4.138 13.154 -16.350 1.00 5.04 C ATOM 1348 O TYR A 86 5.279 13.215 -16.808 1.00 72.33 O ATOM 1349 CB TYR A 86 2.483 11.459 -17.157 1.00 52.45 C ATOM 1350 CG TYR A 86 3.040 11.628 -18.552 1.00 21.40 C ATOM 1351 CD1 TYR A 86 3.894 10.679 -19.101 1.00 71.33 C ATOM 1352 CD2 TYR A 86 2.710 12.734 -19.324 1.00 40.43 C ATOM 1353 CE1 TYR A 86 4.405 10.829 -20.374 1.00 14.04 C ATOM 1354 CE2 TYR A 86 3.215 12.893 -20.600 1.00 30.20 C ATOM 1355 CZ TYR A 86 4.062 11.937 -21.121 1.00 51.41 C ATOM 1356 OH TYR A 86 4.569 12.090 -22.391 1.00 3.12 O ATOM 0 H TYR A 86 1.859 11.480 -14.767 1.00 11.34 H new ATOM 0 HA TYR A 86 4.260 11.044 -16.023 1.00 54.43 H new ATOM 0 HB2 TYR A 86 2.156 10.427 -17.028 1.00 52.45 H new ATOM 0 HB3 TYR A 86 1.600 12.089 -17.048 1.00 52.45 H new ATOM 0 HD1 TYR A 86 4.163 9.808 -18.521 1.00 71.33 H new ATOM 0 HD2 TYR A 86 2.046 13.484 -18.919 1.00 40.43 H new ATOM 0 HE1 TYR A 86 5.070 10.083 -20.783 1.00 14.04 H new ATOM 0 HE2 TYR A 86 2.948 13.760 -21.186 1.00 30.20 H new ATOM 0 HH TYR A 86 4.229 12.922 -22.781 1.00 3.12 H new ATOM 1366 N CYS A 87 3.405 14.230 -16.086 1.00 11.14 N ATOM 1367 CA CYS A 87 3.913 15.577 -16.325 1.00 5.12 C ATOM 1368 C CYS A 87 5.210 15.814 -15.559 1.00 70.40 C ATOM 1369 O CYS A 87 6.213 16.240 -16.132 1.00 41.32 O ATOM 1370 CB CYS A 87 2.869 16.618 -15.917 1.00 1.01 C ATOM 1371 SG CYS A 87 1.483 16.764 -17.069 1.00 41.13 S ATOM 0 H CYS A 87 2.459 14.197 -15.707 1.00 11.14 H new ATOM 0 HA CYS A 87 4.119 15.677 -17.391 1.00 5.12 H new ATOM 0 HB2 CYS A 87 2.482 16.362 -14.931 1.00 1.01 H new ATOM 0 HB3 CYS A 87 3.356 17.589 -15.826 1.00 1.01 H new ATOM 0 HG CYS A 87 0.767 17.803 -16.756 1.00 41.13 H new ATOM 1377 N VAL A 88 5.184 15.533 -14.260 1.00 45.14 N ATOM 1378 CA VAL A 88 6.358 15.716 -13.415 1.00 40.03 C ATOM 1379 C VAL A 88 7.596 15.097 -14.054 1.00 52.22 C ATOM 1380 O VAL A 88 8.658 15.719 -14.106 1.00 5.21 O ATOM 1381 CB VAL A 88 6.147 15.095 -12.021 1.00 34.11 C ATOM 1382 CG1 VAL A 88 7.411 15.223 -11.184 1.00 71.42 C ATOM 1383 CG2 VAL A 88 4.965 15.746 -11.321 1.00 71.12 C ATOM 0 H VAL A 88 4.363 15.178 -13.770 1.00 45.14 H new ATOM 0 HA VAL A 88 6.508 16.790 -13.307 1.00 40.03 H new ATOM 0 HB VAL A 88 5.927 14.035 -12.144 1.00 34.11 H new ATOM 0 HG11 VAL A 88 7.244 14.779 -10.203 1.00 71.42 H new ATOM 0 HG12 VAL A 88 8.231 14.705 -11.682 1.00 71.42 H new ATOM 0 HG13 VAL A 88 7.665 16.277 -11.067 1.00 71.42 H new ATOM 0 HG21 VAL A 88 4.831 15.295 -10.338 1.00 71.12 H new ATOM 0 HG22 VAL A 88 5.152 16.814 -11.208 1.00 71.12 H new ATOM 0 HG23 VAL A 88 4.063 15.597 -11.915 1.00 71.12 H new ATOM 1393 N HIS A 89 7.454 13.867 -14.539 1.00 44.45 N ATOM 1394 CA HIS A 89 8.561 13.163 -15.176 1.00 4.11 C ATOM 1395 C HIS A 89 9.019 13.898 -16.434 1.00 62.41 C ATOM 1396 O HIS A 89 10.229 13.939 -16.654 1.00 44.01 O ATOM 1397 CB HIS A 89 8.149 11.733 -15.528 1.00 51.30 C ATOM 1398 CG HIS A 89 8.032 10.834 -14.337 1.00 74.21 C ATOM 1399 ND1 HIS A 89 8.838 10.950 -13.224 1.00 71.42 N ATOM 1400 CD2 HIS A 89 7.196 9.798 -14.087 1.00 14.33 C ATOM 1401 CE1 HIS A 89 8.504 10.024 -12.342 1.00 44.14 C ATOM 1402 NE2 HIS A 89 7.508 9.313 -12.842 1.00 72.55 N ATOM 0 H HIS A 89 6.583 13.338 -14.503 1.00 44.45 H new ATOM 0 HA HIS A 89 9.392 13.130 -14.472 1.00 4.11 H new ATOM 0 HB2 HIS A 89 7.192 11.757 -16.050 1.00 51.30 H new ATOM 0 HB3 HIS A 89 8.879 11.313 -16.220 1.00 51.30 H new ATOM 0 HD1 HIS A 89 9.577 11.642 -13.101 1.00 71.42 H new ATOM 0 HD2 HIS A 89 6.426 9.423 -14.746 1.00 14.33 H new ATOM 0 HE1 HIS A 89 8.966 9.874 -11.377 1.00 44.14 H new ATOM 0 HE2 HIS A 89 7.046 8.531 -12.378 1.00 72.55 H new ATOM 1411 N GLN A 90 8.117 14.456 -17.234 1.00 20.20 N ATOM 1412 CA GLN A 90 8.507 15.167 -18.446 1.00 64.32 C ATOM 1413 C GLN A 90 9.069 16.544 -18.112 1.00 74.24 C ATOM 1414 O GLN A 90 9.241 17.385 -18.994 1.00 42.42 O ATOM 1415 CB GLN A 90 7.310 15.306 -19.388 1.00 31.13 C ATOM 1416 CG GLN A 90 7.697 15.674 -20.812 1.00 64.32 C ATOM 1417 CD GLN A 90 8.777 14.770 -21.376 1.00 45.04 C ATOM 1418 OE1 GLN A 90 8.872 13.597 -21.014 1.00 74.15 O ATOM 1419 NE2 GLN A 90 9.597 15.313 -22.268 1.00 64.45 N ATOM 0 H GLN A 90 7.111 14.430 -17.065 1.00 20.20 H new ATOM 0 HA GLN A 90 9.286 14.588 -18.942 1.00 64.32 H new ATOM 0 HB2 GLN A 90 6.758 14.366 -19.402 1.00 31.13 H new ATOM 0 HB3 GLN A 90 6.635 16.067 -18.995 1.00 31.13 H new ATOM 0 HG2 GLN A 90 6.814 15.621 -21.450 1.00 64.32 H new ATOM 0 HG3 GLN A 90 8.045 16.707 -20.835 1.00 64.32 H new ATOM 0 HE21 GLN A 90 9.481 16.290 -22.539 1.00 64.45 H new ATOM 0 HE22 GLN A 90 10.342 14.754 -22.682 1.00 64.45 H new ATOM 1428 N ARG A 91 9.356 16.767 -16.834 1.00 62.13 N ATOM 1429 CA ARG A 91 9.897 18.043 -16.383 1.00 33.32 C ATOM 1430 C ARG A 91 8.789 19.079 -16.224 1.00 63.25 C ATOM 1431 O ARG A 91 9.049 20.234 -15.885 1.00 2.04 O ATOM 1432 CB ARG A 91 10.949 18.553 -17.371 1.00 25.32 C ATOM 1433 CG ARG A 91 12.054 19.367 -16.720 1.00 42.43 C ATOM 1434 CD ARG A 91 11.863 20.857 -16.959 1.00 60.33 C ATOM 1435 NE ARG A 91 12.331 21.656 -15.829 1.00 3.11 N ATOM 1436 CZ ARG A 91 13.614 21.873 -15.563 1.00 63.52 C ATOM 1437 NH1 ARG A 91 14.552 21.352 -16.342 1.00 71.04 N ATOM 1438 NH2 ARG A 91 13.960 22.611 -14.517 1.00 53.23 N ATOM 0 H ARG A 91 9.223 16.080 -16.092 1.00 62.13 H new ATOM 0 HA ARG A 91 10.366 17.887 -15.411 1.00 33.32 H new ATOM 0 HB2 ARG A 91 11.393 17.702 -17.887 1.00 25.32 H new ATOM 0 HB3 ARG A 91 10.458 19.164 -18.128 1.00 25.32 H new ATOM 0 HG2 ARG A 91 12.071 19.168 -15.648 1.00 42.43 H new ATOM 0 HG3 ARG A 91 13.020 19.055 -17.117 1.00 42.43 H new ATOM 0 HD2 ARG A 91 12.402 21.152 -17.860 1.00 60.33 H new ATOM 0 HD3 ARG A 91 10.808 21.063 -17.137 1.00 60.33 H new ATOM 0 HE ARG A 91 11.634 22.070 -15.210 1.00 3.11 H new ATOM 0 HH11 ARG A 91 14.289 20.784 -17.147 1.00 71.04 H new ATOM 0 HH12 ARG A 91 15.537 21.520 -16.136 1.00 71.04 H new ATOM 0 HH21 ARG A 91 13.241 23.013 -13.916 1.00 53.23 H new ATOM 0 HH22 ARG A 91 14.946 22.777 -14.314 1.00 53.23 H new ATOM 1452 N ILE A 92 7.553 18.657 -16.470 1.00 3.30 N ATOM 1453 CA ILE A 92 6.405 19.549 -16.354 1.00 63.00 C ATOM 1454 C ILE A 92 5.991 19.725 -14.897 1.00 33.22 C ATOM 1455 O ILE A 92 5.840 18.749 -14.162 1.00 53.14 O ATOM 1456 CB ILE A 92 5.201 19.023 -17.158 1.00 60.13 C ATOM 1457 CG1 ILE A 92 5.515 19.036 -18.655 1.00 32.23 C ATOM 1458 CG2 ILE A 92 3.963 19.857 -16.864 1.00 53.25 C ATOM 1459 CD1 ILE A 92 4.838 17.923 -19.424 1.00 1.03 C ATOM 0 H ILE A 92 7.321 17.704 -16.751 1.00 3.30 H new ATOM 0 HA ILE A 92 6.711 20.513 -16.761 1.00 63.00 H new ATOM 0 HB ILE A 92 5.003 17.995 -16.856 1.00 60.13 H new ATOM 0 HG12 ILE A 92 5.209 19.995 -19.074 1.00 32.23 H new ATOM 0 HG13 ILE A 92 6.593 18.958 -18.793 1.00 32.23 H new ATOM 0 HG21 ILE A 92 3.121 19.473 -17.439 1.00 53.25 H new ATOM 0 HG22 ILE A 92 3.731 19.802 -15.800 1.00 53.25 H new ATOM 0 HG23 ILE A 92 4.149 20.895 -17.141 1.00 53.25 H new ATOM 0 HD11 ILE A 92 5.106 17.994 -20.478 1.00 1.03 H new ATOM 0 HD12 ILE A 92 5.163 16.960 -19.031 1.00 1.03 H new ATOM 0 HD13 ILE A 92 3.757 18.012 -19.317 1.00 1.03 H new ATOM 1471 N ASP A 93 5.808 20.974 -14.487 1.00 52.31 N ATOM 1472 CA ASP A 93 5.409 21.280 -13.117 1.00 25.44 C ATOM 1473 C ASP A 93 4.098 22.059 -13.095 1.00 51.34 C ATOM 1474 O ASP A 93 3.991 23.095 -12.439 1.00 50.05 O ATOM 1475 CB ASP A 93 6.504 22.079 -12.410 1.00 32.11 C ATOM 1476 CG ASP A 93 6.968 23.271 -13.223 1.00 64.33 C ATOM 1477 OD1 ASP A 93 6.120 23.898 -13.893 1.00 33.41 O ATOM 1478 OD2 ASP A 93 8.179 23.577 -13.190 1.00 3.03 O ATOM 0 H ASP A 93 5.929 21.793 -15.083 1.00 52.31 H new ATOM 0 HA ASP A 93 5.260 20.338 -12.589 1.00 25.44 H new ATOM 0 HB2 ASP A 93 6.132 22.424 -11.445 1.00 32.11 H new ATOM 0 HB3 ASP A 93 7.354 21.427 -12.210 1.00 32.11 H new ATOM 1483 N VAL A 94 3.102 21.555 -13.818 1.00 60.42 N ATOM 1484 CA VAL A 94 1.799 22.204 -13.880 1.00 65.21 C ATOM 1485 C VAL A 94 1.405 22.779 -12.524 1.00 25.23 C ATOM 1486 O VAL A 94 1.751 22.227 -11.479 1.00 13.43 O ATOM 1487 CB VAL A 94 0.706 21.223 -14.347 1.00 3.42 C ATOM 1488 CG1 VAL A 94 0.887 20.882 -15.819 1.00 44.14 C ATOM 1489 CG2 VAL A 94 0.721 19.964 -13.494 1.00 61.15 C ATOM 0 H VAL A 94 3.174 20.699 -14.369 1.00 60.42 H new ATOM 0 HA VAL A 94 1.883 23.015 -14.604 1.00 65.21 H new ATOM 0 HB VAL A 94 -0.265 21.704 -14.227 1.00 3.42 H new ATOM 0 HG11 VAL A 94 0.106 20.188 -16.130 1.00 44.14 H new ATOM 0 HG12 VAL A 94 0.822 21.793 -16.414 1.00 44.14 H new ATOM 0 HG13 VAL A 94 1.863 20.420 -15.968 1.00 44.14 H new ATOM 0 HG21 VAL A 94 -0.057 19.282 -13.838 1.00 61.15 H new ATOM 0 HG22 VAL A 94 1.693 19.478 -13.580 1.00 61.15 H new ATOM 0 HG23 VAL A 94 0.538 20.228 -12.452 1.00 61.15 H new ATOM 1499 N LYS A 95 0.677 23.891 -12.548 1.00 33.43 N ATOM 1500 CA LYS A 95 0.233 24.541 -11.321 1.00 0.14 C ATOM 1501 C LYS A 95 -0.694 23.628 -10.526 1.00 53.44 C ATOM 1502 O LYS A 95 -0.505 23.429 -9.325 1.00 13.54 O ATOM 1503 CB LYS A 95 -0.482 25.854 -11.646 1.00 0.33 C ATOM 1504 CG LYS A 95 0.441 26.933 -12.187 1.00 73.33 C ATOM 1505 CD LYS A 95 -0.022 27.435 -13.543 1.00 44.40 C ATOM 1506 CE LYS A 95 1.099 28.142 -14.289 1.00 64.30 C ATOM 1507 NZ LYS A 95 0.690 29.497 -14.751 1.00 70.11 N ATOM 0 H LYS A 95 0.382 24.360 -13.404 1.00 33.43 H new ATOM 0 HA LYS A 95 1.112 24.754 -10.713 1.00 0.14 H new ATOM 0 HB2 LYS A 95 -1.267 25.659 -12.377 1.00 0.33 H new ATOM 0 HB3 LYS A 95 -0.971 26.224 -10.745 1.00 0.33 H new ATOM 0 HG2 LYS A 95 0.480 27.765 -11.484 1.00 73.33 H new ATOM 0 HG3 LYS A 95 1.454 26.538 -12.271 1.00 73.33 H new ATOM 0 HD2 LYS A 95 -0.384 26.597 -14.138 1.00 44.40 H new ATOM 0 HD3 LYS A 95 -0.861 28.119 -13.412 1.00 44.40 H new ATOM 0 HE2 LYS A 95 1.970 28.228 -13.639 1.00 64.30 H new ATOM 0 HE3 LYS A 95 1.399 27.541 -15.147 1.00 64.30 H new ATOM 0 HZ1 LYS A 95 1.482 29.946 -15.255 1.00 70.11 H new ATOM 0 HZ2 LYS A 95 -0.125 29.414 -15.391 1.00 70.11 H new ATOM 0 HZ3 LYS A 95 0.428 30.079 -13.930 1.00 70.11 H new ATOM 1521 N ASP A 96 -1.694 23.074 -11.202 1.00 31.31 N ATOM 1522 CA ASP A 96 -2.649 22.179 -10.558 1.00 22.12 C ATOM 1523 C ASP A 96 -2.983 20.999 -11.465 1.00 61.10 C ATOM 1524 O ASP A 96 -2.524 20.927 -12.606 1.00 42.32 O ATOM 1525 CB ASP A 96 -3.927 22.937 -10.197 1.00 54.42 C ATOM 1526 CG ASP A 96 -4.433 23.796 -11.339 1.00 3.40 C ATOM 1527 OD1 ASP A 96 -4.736 23.237 -12.414 1.00 55.03 O ATOM 1528 OD2 ASP A 96 -4.529 25.029 -11.157 1.00 22.32 O ATOM 0 H ASP A 96 -1.865 23.229 -12.196 1.00 31.31 H new ATOM 0 HA ASP A 96 -2.193 21.796 -9.645 1.00 22.12 H new ATOM 0 HB2 ASP A 96 -4.701 22.224 -9.912 1.00 54.42 H new ATOM 0 HB3 ASP A 96 -3.739 23.567 -9.328 1.00 54.42 H new ATOM 1533 N THR A 97 -3.784 20.071 -10.949 1.00 22.12 N ATOM 1534 CA THR A 97 -4.178 18.892 -11.710 1.00 72.21 C ATOM 1535 C THR A 97 -5.104 19.266 -12.863 1.00 74.45 C ATOM 1536 O THR A 97 -5.439 18.428 -13.700 1.00 32.52 O ATOM 1537 CB THR A 97 -4.883 17.856 -10.815 1.00 22.31 C ATOM 1538 OG1 THR A 97 -4.131 17.653 -9.614 1.00 72.41 O ATOM 1539 CG2 THR A 97 -5.048 16.532 -11.547 1.00 61.15 C ATOM 0 H THR A 97 -4.172 20.114 -10.007 1.00 22.12 H new ATOM 0 HA THR A 97 -3.264 18.453 -12.110 1.00 72.21 H new ATOM 0 HB THR A 97 -5.872 18.239 -10.563 1.00 22.31 H new ATOM 0 HG1 THR A 97 -3.944 16.698 -9.503 1.00 72.41 H new ATOM 0 HG21 THR A 97 -5.548 15.816 -10.895 1.00 61.15 H new ATOM 0 HG22 THR A 97 -5.646 16.685 -12.445 1.00 61.15 H new ATOM 0 HG23 THR A 97 -4.068 16.146 -11.826 1.00 61.15 H new ATOM 1547 N LYS A 98 -5.514 20.529 -12.900 1.00 30.34 N ATOM 1548 CA LYS A 98 -6.401 21.015 -13.951 1.00 75.40 C ATOM 1549 C LYS A 98 -5.604 21.433 -15.183 1.00 5.51 C ATOM 1550 O LYS A 98 -6.036 21.215 -16.315 1.00 51.43 O ATOM 1551 CB LYS A 98 -7.230 22.195 -13.442 1.00 70.02 C ATOM 1552 CG LYS A 98 -8.626 22.259 -14.036 1.00 2.12 C ATOM 1553 CD LYS A 98 -9.470 21.070 -13.609 1.00 54.15 C ATOM 1554 CE LYS A 98 -10.956 21.382 -13.693 1.00 1.12 C ATOM 1555 NZ LYS A 98 -11.627 20.597 -14.767 1.00 51.14 N ATOM 0 H LYS A 98 -5.246 21.235 -12.214 1.00 30.34 H new ATOM 0 HA LYS A 98 -7.072 20.203 -14.231 1.00 75.40 H new ATOM 0 HB2 LYS A 98 -7.309 22.132 -12.357 1.00 70.02 H new ATOM 0 HB3 LYS A 98 -6.705 23.122 -13.670 1.00 70.02 H new ATOM 0 HG2 LYS A 98 -9.113 23.183 -13.724 1.00 2.12 H new ATOM 0 HG3 LYS A 98 -8.558 22.286 -15.124 1.00 2.12 H new ATOM 0 HD2 LYS A 98 -9.241 20.213 -14.243 1.00 54.15 H new ATOM 0 HD3 LYS A 98 -9.213 20.789 -12.588 1.00 54.15 H new ATOM 0 HE2 LYS A 98 -11.428 21.164 -12.735 1.00 1.12 H new ATOM 0 HE3 LYS A 98 -11.094 22.447 -13.881 1.00 1.12 H new ATOM 0 HZ1 LYS A 98 -12.638 20.838 -14.793 1.00 51.14 H new ATOM 0 HZ2 LYS A 98 -11.194 20.824 -15.685 1.00 51.14 H new ATOM 0 HZ3 LYS A 98 -11.518 19.581 -14.574 1.00 51.14 H new ATOM 1569 N GLU A 99 -4.440 22.033 -14.955 1.00 53.12 N ATOM 1570 CA GLU A 99 -3.585 22.481 -16.047 1.00 33.24 C ATOM 1571 C GLU A 99 -2.746 21.327 -16.590 1.00 40.13 C ATOM 1572 O GLU A 99 -2.168 21.421 -17.672 1.00 53.34 O ATOM 1573 CB GLU A 99 -2.670 23.613 -15.578 1.00 72.23 C ATOM 1574 CG GLU A 99 -2.122 24.463 -16.711 1.00 52.52 C ATOM 1575 CD GLU A 99 -3.172 25.378 -17.315 1.00 75.44 C ATOM 1576 OE1 GLU A 99 -3.658 26.276 -16.599 1.00 44.53 O ATOM 1577 OE2 GLU A 99 -3.505 25.192 -18.504 1.00 43.04 O ATOM 0 H GLU A 99 -4.068 22.220 -14.024 1.00 53.12 H new ATOM 0 HA GLU A 99 -4.226 22.850 -16.847 1.00 33.24 H new ATOM 0 HB2 GLU A 99 -3.222 24.253 -14.889 1.00 72.23 H new ATOM 0 HB3 GLU A 99 -1.837 23.187 -15.019 1.00 72.23 H new ATOM 0 HG2 GLU A 99 -1.292 25.064 -16.341 1.00 52.52 H new ATOM 0 HG3 GLU A 99 -1.722 23.812 -17.488 1.00 52.52 H new ATOM 1584 N ALA A 100 -2.686 20.238 -15.830 1.00 44.54 N ATOM 1585 CA ALA A 100 -1.921 19.066 -16.235 1.00 72.04 C ATOM 1586 C ALA A 100 -2.720 18.193 -17.195 1.00 11.54 C ATOM 1587 O ALA A 100 -2.151 17.498 -18.039 1.00 51.01 O ATOM 1588 CB ALA A 100 -1.503 18.262 -15.012 1.00 72.32 C ATOM 0 H ALA A 100 -3.158 20.144 -14.931 1.00 44.54 H new ATOM 0 HA ALA A 100 -1.027 19.408 -16.756 1.00 72.04 H new ATOM 0 HB1 ALA A 100 -0.932 17.389 -15.328 1.00 72.32 H new ATOM 0 HB2 ALA A 100 -0.886 18.883 -14.362 1.00 72.32 H new ATOM 0 HB3 ALA A 100 -2.391 17.938 -14.469 1.00 72.32 H new ATOM 1594 N LEU A 101 -4.041 18.233 -17.064 1.00 61.24 N ATOM 1595 CA LEU A 101 -4.920 17.445 -17.922 1.00 74.52 C ATOM 1596 C LEU A 101 -5.086 18.106 -19.286 1.00 35.34 C ATOM 1597 O LEU A 101 -5.282 17.429 -20.295 1.00 33.44 O ATOM 1598 CB LEU A 101 -6.287 17.267 -17.259 1.00 32.41 C ATOM 1599 CG LEU A 101 -6.359 16.230 -16.137 1.00 43.10 C ATOM 1600 CD1 LEU A 101 -7.694 16.319 -15.413 1.00 34.52 C ATOM 1601 CD2 LEU A 101 -6.143 14.829 -16.690 1.00 41.23 C ATOM 0 H LEU A 101 -4.528 18.803 -16.372 1.00 61.24 H new ATOM 0 HA LEU A 101 -4.463 16.466 -18.067 1.00 74.52 H new ATOM 0 HB2 LEU A 101 -6.602 18.230 -16.857 1.00 32.41 H new ATOM 0 HB3 LEU A 101 -7.008 16.991 -18.028 1.00 32.41 H new ATOM 0 HG LEU A 101 -5.565 16.442 -15.421 1.00 43.10 H new ATOM 0 HD11 LEU A 101 -7.727 15.574 -14.618 1.00 34.52 H new ATOM 0 HD12 LEU A 101 -7.809 17.314 -14.983 1.00 34.52 H new ATOM 0 HD13 LEU A 101 -8.504 16.133 -16.119 1.00 34.52 H new ATOM 0 HD21 LEU A 101 -6.198 14.105 -15.877 1.00 41.23 H new ATOM 0 HD22 LEU A 101 -6.914 14.606 -17.427 1.00 41.23 H new ATOM 0 HD23 LEU A 101 -5.162 14.771 -17.162 1.00 41.23 H new ATOM 1613 N ASP A 102 -5.004 19.431 -19.309 1.00 41.22 N ATOM 1614 CA ASP A 102 -5.142 20.185 -20.549 1.00 21.34 C ATOM 1615 C ASP A 102 -3.889 20.049 -21.409 1.00 2.24 C ATOM 1616 O ASP A 102 -3.962 20.055 -22.639 1.00 64.02 O ATOM 1617 CB ASP A 102 -5.412 21.660 -20.248 1.00 52.10 C ATOM 1618 CG ASP A 102 -6.727 22.138 -20.830 1.00 22.24 C ATOM 1619 OD1 ASP A 102 -7.771 21.527 -20.519 1.00 41.03 O ATOM 1620 OD2 ASP A 102 -6.713 23.123 -21.597 1.00 51.41 O ATOM 0 H ASP A 102 -4.842 20.006 -18.482 1.00 41.22 H new ATOM 0 HA ASP A 102 -5.987 19.776 -21.102 1.00 21.34 H new ATOM 0 HB2 ASP A 102 -5.419 21.812 -19.169 1.00 52.10 H new ATOM 0 HB3 ASP A 102 -4.599 22.265 -20.650 1.00 52.10 H new ATOM 1625 N LYS A 103 -2.739 19.929 -20.755 1.00 34.34 N ATOM 1626 CA LYS A 103 -1.469 19.792 -21.459 1.00 72.34 C ATOM 1627 C LYS A 103 -1.312 18.386 -22.029 1.00 35.14 C ATOM 1628 O LYS A 103 -0.579 18.178 -22.996 1.00 2.21 O ATOM 1629 CB LYS A 103 -0.304 20.105 -20.516 1.00 24.42 C ATOM 1630 CG LYS A 103 0.638 21.171 -21.045 1.00 1.43 C ATOM 1631 CD LYS A 103 -0.040 22.530 -21.112 1.00 54.50 C ATOM 1632 CE LYS A 103 0.924 23.652 -20.758 1.00 74.23 C ATOM 1633 NZ LYS A 103 0.788 24.814 -21.680 1.00 64.45 N ATOM 0 H LYS A 103 -2.660 19.924 -19.738 1.00 34.34 H new ATOM 0 HA LYS A 103 -1.461 20.503 -22.285 1.00 72.34 H new ATOM 0 HB2 LYS A 103 -0.703 20.429 -19.555 1.00 24.42 H new ATOM 0 HB3 LYS A 103 0.261 19.191 -20.334 1.00 24.42 H new ATOM 0 HG2 LYS A 103 1.517 21.233 -20.403 1.00 1.43 H new ATOM 0 HG3 LYS A 103 0.988 20.889 -22.038 1.00 1.43 H new ATOM 0 HD2 LYS A 103 -0.435 22.691 -22.115 1.00 54.50 H new ATOM 0 HD3 LYS A 103 -0.889 22.549 -20.428 1.00 54.50 H new ATOM 0 HE2 LYS A 103 0.741 23.978 -19.734 1.00 74.23 H new ATOM 0 HE3 LYS A 103 1.947 23.277 -20.795 1.00 74.23 H new ATOM 0 HZ1 LYS A 103 1.462 25.556 -21.405 1.00 64.45 H new ATOM 0 HZ2 LYS A 103 0.987 24.509 -22.654 1.00 64.45 H new ATOM 0 HZ3 LYS A 103 -0.181 25.189 -21.626 1.00 64.45 H new ATOM 1647 N ILE A 104 -2.004 17.427 -21.425 1.00 22.21 N ATOM 1648 CA ILE A 104 -1.943 16.042 -21.876 1.00 41.21 C ATOM 1649 C ILE A 104 -3.031 15.749 -22.902 1.00 21.14 C ATOM 1650 O ILE A 104 -2.915 14.814 -23.695 1.00 43.31 O ATOM 1651 CB ILE A 104 -2.087 15.060 -20.698 1.00 0.14 C ATOM 1652 CG1 ILE A 104 -0.963 15.278 -19.683 1.00 63.14 C ATOM 1653 CG2 ILE A 104 -2.082 13.624 -21.201 1.00 11.22 C ATOM 1654 CD1 ILE A 104 -1.224 14.627 -18.343 1.00 41.20 C ATOM 0 H ILE A 104 -2.614 17.583 -20.622 1.00 22.21 H new ATOM 0 HA ILE A 104 -0.965 15.904 -22.337 1.00 41.21 H new ATOM 0 HB ILE A 104 -3.040 15.248 -20.203 1.00 0.14 H new ATOM 0 HG12 ILE A 104 -0.033 14.885 -20.093 1.00 63.14 H new ATOM 0 HG13 ILE A 104 -0.820 16.349 -19.536 1.00 63.14 H new ATOM 0 HG21 ILE A 104 -2.185 12.942 -20.357 1.00 11.22 H new ATOM 0 HG22 ILE A 104 -2.914 13.477 -21.889 1.00 11.22 H new ATOM 0 HG23 ILE A 104 -1.144 13.423 -21.718 1.00 11.22 H new ATOM 0 HD11 ILE A 104 -0.386 14.823 -17.674 1.00 41.20 H new ATOM 0 HD12 ILE A 104 -2.137 15.037 -17.911 1.00 41.20 H new ATOM 0 HD13 ILE A 104 -1.337 13.551 -18.477 1.00 41.20 H new ATOM 1666 N GLU A 105 -4.088 16.556 -22.884 1.00 11.24 N ATOM 1667 CA GLU A 105 -5.196 16.384 -23.816 1.00 40.02 C ATOM 1668 C GLU A 105 -4.908 17.086 -25.140 1.00 45.34 C ATOM 1669 O GLU A 105 -5.276 16.595 -26.206 1.00 21.23 O ATOM 1670 CB GLU A 105 -6.491 16.927 -23.208 1.00 50.34 C ATOM 1671 CG GLU A 105 -7.691 16.815 -24.133 1.00 43.12 C ATOM 1672 CD GLU A 105 -8.919 17.513 -23.582 1.00 42.23 C ATOM 1673 OE1 GLU A 105 -9.174 17.393 -22.365 1.00 41.31 O ATOM 1674 OE2 GLU A 105 -9.627 18.179 -24.367 1.00 70.22 O ATOM 0 H GLU A 105 -4.200 17.335 -22.235 1.00 11.24 H new ATOM 0 HA GLU A 105 -5.313 15.318 -24.009 1.00 40.02 H new ATOM 0 HB2 GLU A 105 -6.703 16.388 -22.285 1.00 50.34 H new ATOM 0 HB3 GLU A 105 -6.346 17.974 -22.940 1.00 50.34 H new ATOM 0 HG2 GLU A 105 -7.439 17.243 -25.103 1.00 43.12 H new ATOM 0 HG3 GLU A 105 -7.920 15.762 -24.299 1.00 43.12 H new ATOM 1681 N GLU A 106 -4.251 18.239 -25.061 1.00 22.14 N ATOM 1682 CA GLU A 106 -3.916 19.008 -26.253 1.00 51.43 C ATOM 1683 C GLU A 106 -2.792 18.338 -27.037 1.00 71.40 C ATOM 1684 O GLU A 106 -2.831 18.271 -28.265 1.00 44.54 O ATOM 1685 CB GLU A 106 -3.504 20.431 -25.869 1.00 43.45 C ATOM 1686 CG GLU A 106 -4.655 21.425 -25.893 1.00 74.32 C ATOM 1687 CD GLU A 106 -5.269 21.572 -27.271 1.00 22.14 C ATOM 1688 OE1 GLU A 106 -4.556 21.335 -28.269 1.00 54.25 O ATOM 1689 OE2 GLU A 106 -6.465 21.923 -27.353 1.00 60.31 O ATOM 0 H GLU A 106 -3.941 18.660 -24.185 1.00 22.14 H new ATOM 0 HA GLU A 106 -4.802 19.050 -26.886 1.00 51.43 H new ATOM 0 HB2 GLU A 106 -3.068 20.417 -24.870 1.00 43.45 H new ATOM 0 HB3 GLU A 106 -2.726 20.772 -26.552 1.00 43.45 H new ATOM 0 HG2 GLU A 106 -5.423 21.103 -25.190 1.00 74.32 H new ATOM 0 HG3 GLU A 106 -4.298 22.397 -25.553 1.00 74.32 H new ATOM 1696 N GLU A 107 -1.791 17.841 -26.316 1.00 34.31 N ATOM 1697 CA GLU A 107 -0.655 17.176 -26.945 1.00 55.13 C ATOM 1698 C GLU A 107 -1.119 16.007 -27.809 1.00 4.14 C ATOM 1699 O GLU A 107 -0.463 15.647 -28.786 1.00 25.23 O ATOM 1700 CB GLU A 107 0.326 16.679 -25.881 1.00 71.03 C ATOM 1701 CG GLU A 107 1.601 17.501 -25.798 1.00 71.13 C ATOM 1702 CD GLU A 107 2.401 17.212 -24.543 1.00 41.34 C ATOM 1703 OE1 GLU A 107 1.975 16.339 -23.756 1.00 12.32 O ATOM 1704 OE2 GLU A 107 3.451 17.857 -24.345 1.00 15.22 O ATOM 0 H GLU A 107 -1.744 17.886 -25.298 1.00 34.31 H new ATOM 0 HA GLU A 107 -0.151 17.901 -27.584 1.00 55.13 H new ATOM 0 HB2 GLU A 107 -0.168 16.691 -24.909 1.00 71.03 H new ATOM 0 HB3 GLU A 107 0.585 15.642 -26.094 1.00 71.03 H new ATOM 0 HG2 GLU A 107 2.218 17.297 -26.673 1.00 71.13 H new ATOM 0 HG3 GLU A 107 1.348 18.561 -25.827 1.00 71.13 H new ATOM 1711 N GLN A 108 -2.253 15.421 -27.441 1.00 74.51 N ATOM 1712 CA GLN A 108 -2.804 14.292 -28.182 1.00 31.30 C ATOM 1713 C GLN A 108 -3.479 14.761 -29.467 1.00 72.21 C ATOM 1714 O GLN A 108 -3.468 14.060 -30.477 1.00 33.31 O ATOM 1715 CB GLN A 108 -3.806 13.526 -27.316 1.00 64.11 C ATOM 1716 CG GLN A 108 -3.745 12.019 -27.503 1.00 31.34 C ATOM 1717 CD GLN A 108 -3.938 11.602 -28.948 1.00 50.22 C ATOM 1718 OE1 GLN A 108 -5.033 11.720 -29.499 1.00 43.02 O ATOM 1719 NE2 GLN A 108 -2.873 11.111 -29.570 1.00 30.13 N ATOM 0 H GLN A 108 -2.808 15.709 -26.635 1.00 74.51 H new ATOM 0 HA GLN A 108 -1.981 13.628 -28.447 1.00 31.30 H new ATOM 0 HB2 GLN A 108 -3.622 13.761 -26.268 1.00 64.11 H new ATOM 0 HB3 GLN A 108 -4.813 13.872 -27.548 1.00 64.11 H new ATOM 0 HG2 GLN A 108 -2.782 11.651 -27.148 1.00 31.34 H new ATOM 0 HG3 GLN A 108 -4.512 11.549 -26.888 1.00 31.34 H new ATOM 0 HE21 GLN A 108 -1.985 11.031 -29.075 1.00 30.13 H new ATOM 0 HE22 GLN A 108 -2.943 10.814 -30.543 1.00 30.13 H new ATOM 1728 N ASN A 109 -4.065 15.953 -29.419 1.00 64.31 N ATOM 1729 CA ASN A 109 -4.746 16.516 -30.580 1.00 62.42 C ATOM 1730 C ASN A 109 -3.765 16.760 -31.721 1.00 55.23 C ATOM 1731 O ASN A 109 -4.099 16.582 -32.892 1.00 32.33 O ATOM 1732 CB ASN A 109 -5.444 17.824 -30.203 1.00 54.20 C ATOM 1733 CG ASN A 109 -6.764 17.592 -29.494 1.00 5.54 C ATOM 1734 OD1 ASN A 109 -7.864 17.873 -30.185 1.00 62.23 O flip ATOM 1735 ND2 ASN A 109 -6.796 17.165 -28.340 1.00 53.14 N flip ATOM 0 H ASN A 109 -4.082 16.547 -28.590 1.00 64.31 H new ATOM 0 HA ASN A 109 -5.493 15.797 -30.916 1.00 62.42 H new ATOM 0 HB2 ASN A 109 -4.788 18.411 -29.560 1.00 54.20 H new ATOM 0 HB3 ASN A 109 -5.617 18.413 -31.104 1.00 54.20 H new ATOM 0 HD21 ASN A 109 -5.926 16.963 -27.847 1.00 53.14 H new ATOM 0 HD22 ASN A 109 -7.692 17.014 -27.877 1.00 53.14 H new ATOM 1742 N LYS A 110 -2.549 17.170 -31.371 1.00 3.33 N ATOM 1743 CA LYS A 110 -1.516 17.438 -32.365 1.00 24.40 C ATOM 1744 C LYS A 110 -1.270 16.212 -33.237 1.00 20.24 C ATOM 1745 O LYS A 110 -0.885 16.334 -34.401 1.00 33.30 O ATOM 1746 CB LYS A 110 -0.215 17.856 -31.677 1.00 50.43 C ATOM 1747 CG LYS A 110 0.130 19.324 -31.870 1.00 61.43 C ATOM 1748 CD LYS A 110 0.313 20.032 -30.538 1.00 13.42 C ATOM 1749 CE LYS A 110 0.963 21.396 -30.718 1.00 32.23 C ATOM 1750 NZ LYS A 110 -0.046 22.465 -30.954 1.00 5.00 N ATOM 0 H LYS A 110 -2.256 17.324 -30.406 1.00 3.33 H new ATOM 0 HA LYS A 110 -1.862 18.252 -33.002 1.00 24.40 H new ATOM 0 HB2 LYS A 110 -0.294 17.647 -30.610 1.00 50.43 H new ATOM 0 HB3 LYS A 110 0.602 17.246 -32.061 1.00 50.43 H new ATOM 0 HG2 LYS A 110 1.044 19.410 -32.458 1.00 61.43 H new ATOM 0 HG3 LYS A 110 -0.661 19.813 -32.438 1.00 61.43 H new ATOM 0 HD2 LYS A 110 -0.655 20.150 -30.051 1.00 13.42 H new ATOM 0 HD3 LYS A 110 0.928 19.418 -29.880 1.00 13.42 H new ATOM 0 HE2 LYS A 110 1.549 21.639 -29.831 1.00 32.23 H new ATOM 0 HE3 LYS A 110 1.657 21.360 -31.558 1.00 32.23 H new ATOM 0 HZ1 LYS A 110 0.437 23.378 -31.072 1.00 5.00 H new ATOM 0 HZ2 LYS A 110 -0.588 22.247 -31.814 1.00 5.00 H new ATOM 0 HZ3 LYS A 110 -0.693 22.517 -30.141 1.00 5.00 H new ATOM 1764 N SER A 111 -1.497 15.031 -32.670 1.00 53.31 N ATOM 1765 CA SER A 111 -1.297 13.783 -33.397 1.00 43.04 C ATOM 1766 C SER A 111 -2.564 13.382 -34.146 1.00 22.45 C ATOM 1767 O SER A 111 -2.511 12.975 -35.307 1.00 30.23 O ATOM 1768 CB SER A 111 -0.886 12.668 -32.434 1.00 60.33 C ATOM 1769 OG SER A 111 0.429 12.217 -32.706 1.00 55.31 O ATOM 0 H SER A 111 -1.819 14.913 -31.710 1.00 53.31 H new ATOM 0 HA SER A 111 -0.500 13.938 -34.124 1.00 43.04 H new ATOM 0 HB2 SER A 111 -0.944 13.030 -31.408 1.00 60.33 H new ATOM 0 HB3 SER A 111 -1.584 11.835 -32.518 1.00 60.33 H new ATOM 0 HG SER A 111 0.668 11.506 -32.076 1.00 55.31 H new ATOM 1775 N LYS A 112 -3.704 13.500 -33.474 1.00 71.01 N ATOM 1776 CA LYS A 112 -4.987 13.152 -34.074 1.00 75.43 C ATOM 1777 C LYS A 112 -5.175 13.866 -35.407 1.00 5.12 C ATOM 1778 O LYS A 112 -5.670 13.283 -36.372 1.00 42.43 O ATOM 1779 CB LYS A 112 -6.131 13.511 -33.123 1.00 5.42 C ATOM 1780 CG LYS A 112 -6.908 12.305 -32.624 1.00 44.43 C ATOM 1781 CD LYS A 112 -8.231 12.714 -31.998 1.00 51.43 C ATOM 1782 CE LYS A 112 -9.406 12.360 -32.897 1.00 43.24 C ATOM 1783 NZ LYS A 112 -9.229 12.893 -34.277 1.00 62.31 N ATOM 0 H LYS A 112 -3.766 13.834 -32.512 1.00 71.01 H new ATOM 0 HA LYS A 112 -4.997 12.077 -34.254 1.00 75.43 H new ATOM 0 HB2 LYS A 112 -5.725 14.051 -32.267 1.00 5.42 H new ATOM 0 HB3 LYS A 112 -6.816 14.189 -33.632 1.00 5.42 H new ATOM 0 HG2 LYS A 112 -7.093 11.622 -33.453 1.00 44.43 H new ATOM 0 HG3 LYS A 112 -6.310 11.763 -31.891 1.00 44.43 H new ATOM 0 HD2 LYS A 112 -8.347 12.219 -31.034 1.00 51.43 H new ATOM 0 HD3 LYS A 112 -8.228 13.787 -31.807 1.00 51.43 H new ATOM 0 HE2 LYS A 112 -9.519 11.277 -32.938 1.00 43.24 H new ATOM 0 HE3 LYS A 112 -10.325 12.760 -32.468 1.00 43.24 H new ATOM 0 HZ1 LYS A 112 -10.148 12.906 -34.765 1.00 62.31 H new ATOM 0 HZ2 LYS A 112 -8.848 13.860 -34.230 1.00 62.31 H new ATOM 0 HZ3 LYS A 112 -8.567 12.286 -34.801 1.00 62.31 H new ATOM 1797 N LYS A 113 -4.776 15.133 -35.457 1.00 75.23 N ATOM 1798 CA LYS A 113 -4.898 15.928 -36.673 1.00 32.52 C ATOM 1799 C LYS A 113 -3.865 15.498 -37.710 1.00 65.32 C ATOM 1800 O LYS A 113 -4.103 15.592 -38.914 1.00 22.23 O ATOM 1801 CB LYS A 113 -4.728 17.415 -36.355 1.00 72.15 C ATOM 1802 CG LYS A 113 -3.306 17.798 -35.981 1.00 43.24 C ATOM 1803 CD LYS A 113 -3.258 19.146 -35.282 1.00 51.12 C ATOM 1804 CE LYS A 113 -3.263 20.292 -36.281 1.00 4.14 C ATOM 1805 NZ LYS A 113 -4.324 21.292 -35.974 1.00 63.14 N ATOM 0 H LYS A 113 -4.365 15.631 -34.668 1.00 75.23 H new ATOM 0 HA LYS A 113 -5.893 15.763 -37.086 1.00 32.52 H new ATOM 0 HB2 LYS A 113 -5.038 18.001 -37.221 1.00 72.15 H new ATOM 0 HB3 LYS A 113 -5.395 17.681 -35.535 1.00 72.15 H new ATOM 0 HG2 LYS A 113 -2.882 17.034 -35.330 1.00 43.24 H new ATOM 0 HG3 LYS A 113 -2.689 17.830 -36.879 1.00 43.24 H new ATOM 0 HD2 LYS A 113 -4.114 19.241 -34.613 1.00 51.12 H new ATOM 0 HD3 LYS A 113 -2.362 19.205 -34.664 1.00 51.12 H new ATOM 0 HE2 LYS A 113 -2.290 20.782 -36.276 1.00 4.14 H new ATOM 0 HE3 LYS A 113 -3.416 19.897 -37.285 1.00 4.14 H new ATOM 0 HZ1 LYS A 113 -4.294 22.057 -36.678 1.00 63.14 H new ATOM 0 HZ2 LYS A 113 -5.255 20.830 -36.004 1.00 63.14 H new ATOM 0 HZ3 LYS A 113 -4.164 21.688 -35.026 1.00 63.14 H new ATOM 1819 N LYS A 114 -2.719 15.024 -37.234 1.00 33.22 N ATOM 1820 CA LYS A 114 -1.649 14.576 -38.120 1.00 45.45 C ATOM 1821 C LYS A 114 -1.664 13.058 -38.266 1.00 40.43 C ATOM 1822 O LYS A 114 -0.617 12.430 -38.416 1.00 0.23 O ATOM 1823 CB LYS A 114 -0.291 15.035 -37.584 1.00 1.13 C ATOM 1824 CG LYS A 114 0.657 15.519 -38.668 1.00 71.03 C ATOM 1825 CD LYS A 114 0.476 17.002 -38.946 1.00 42.35 C ATOM 1826 CE LYS A 114 1.805 17.682 -39.237 1.00 22.54 C ATOM 1827 NZ LYS A 114 2.037 18.852 -38.347 1.00 54.11 N ATOM 0 H LYS A 114 -2.506 14.940 -36.240 1.00 33.22 H new ATOM 0 HA LYS A 114 -1.814 15.019 -39.102 1.00 45.45 H new ATOM 0 HB2 LYS A 114 -0.446 15.838 -36.863 1.00 1.13 H new ATOM 0 HB3 LYS A 114 0.176 14.210 -37.046 1.00 1.13 H new ATOM 0 HG2 LYS A 114 1.686 15.328 -38.364 1.00 71.03 H new ATOM 0 HG3 LYS A 114 0.484 14.953 -39.583 1.00 71.03 H new ATOM 0 HD2 LYS A 114 -0.195 17.135 -39.795 1.00 42.35 H new ATOM 0 HD3 LYS A 114 0.003 17.479 -38.088 1.00 42.35 H new ATOM 0 HE2 LYS A 114 2.615 16.964 -39.111 1.00 22.54 H new ATOM 0 HE3 LYS A 114 1.826 18.007 -40.277 1.00 22.54 H new ATOM 0 HZ1 LYS A 114 2.953 19.287 -38.577 1.00 54.11 H new ATOM 0 HZ2 LYS A 114 1.278 19.549 -38.485 1.00 54.11 H new ATOM 0 HZ3 LYS A 114 2.043 18.538 -37.355 1.00 54.11 H new ATOM 1841 N ALA A 115 -2.858 12.475 -38.221 1.00 14.43 N ATOM 1842 CA ALA A 115 -3.008 11.032 -38.352 1.00 24.00 C ATOM 1843 C ALA A 115 -4.330 10.676 -39.025 1.00 31.22 C ATOM 1844 O ALA A 115 -4.875 9.595 -38.810 1.00 45.04 O ATOM 1845 CB ALA A 115 -2.913 10.365 -36.988 1.00 42.03 C ATOM 0 H ALA A 115 -3.735 12.981 -38.095 1.00 14.43 H new ATOM 0 HA ALA A 115 -2.198 10.664 -38.982 1.00 24.00 H new ATOM 0 HB1 ALA A 115 -3.027 9.287 -37.101 1.00 42.03 H new ATOM 0 HB2 ALA A 115 -1.942 10.583 -36.543 1.00 42.03 H new ATOM 0 HB3 ALA A 115 -3.702 10.747 -36.340 1.00 42.03 H new ATOM 1851 N GLN A 116 -4.838 11.594 -39.842 1.00 45.42 N ATOM 1852 CA GLN A 116 -6.097 11.376 -40.545 1.00 42.33 C ATOM 1853 C GLN A 116 -5.995 11.833 -41.997 1.00 73.11 C ATOM 1854 O GLN A 116 -6.991 12.223 -42.605 1.00 21.43 O ATOM 1855 CB GLN A 116 -7.234 12.121 -39.842 1.00 12.42 C ATOM 1856 CG GLN A 116 -7.781 11.391 -38.628 1.00 71.44 C ATOM 1857 CD GLN A 116 -9.183 11.834 -38.261 1.00 14.11 C ATOM 1858 OE1 GLN A 116 -10.166 11.355 -38.827 1.00 41.04 O ATOM 1859 NE2 GLN A 116 -9.283 12.756 -37.311 1.00 73.12 N ATOM 0 H GLN A 116 -4.398 12.494 -40.033 1.00 45.42 H new ATOM 0 HA GLN A 116 -6.311 10.307 -40.533 1.00 42.33 H new ATOM 0 HB2 GLN A 116 -6.877 13.104 -39.534 1.00 12.42 H new ATOM 0 HB3 GLN A 116 -8.044 12.284 -40.553 1.00 12.42 H new ATOM 0 HG2 GLN A 116 -7.783 10.319 -38.824 1.00 71.44 H new ATOM 0 HG3 GLN A 116 -7.118 11.558 -37.779 1.00 71.44 H new ATOM 0 HE21 GLN A 116 -8.442 13.126 -36.868 1.00 73.12 H new ATOM 0 HE22 GLN A 116 -10.201 13.095 -37.024 1.00 73.12 H new ATOM 1868 N GLN A 117 -4.786 11.782 -42.545 1.00 74.24 N ATOM 1869 CA GLN A 117 -4.554 12.191 -43.924 1.00 24.34 C ATOM 1870 C GLN A 117 -5.430 11.392 -44.883 1.00 31.45 C ATOM 1871 O GLN A 117 -5.855 11.899 -45.921 1.00 12.12 O ATOM 1872 CB GLN A 117 -3.080 12.011 -44.292 1.00 55.44 C ATOM 1873 CG GLN A 117 -2.148 12.954 -43.548 1.00 63.21 C ATOM 1874 CD GLN A 117 -1.134 13.615 -44.461 1.00 25.31 C ATOM 1875 OE1 GLN A 117 -1.195 14.820 -44.707 1.00 24.23 O ATOM 1876 NE2 GLN A 117 -0.194 12.827 -44.970 1.00 23.03 N ATOM 0 H GLN A 117 -3.951 11.461 -42.054 1.00 74.24 H new ATOM 0 HA GLN A 117 -4.817 13.245 -44.012 1.00 24.34 H new ATOM 0 HB2 GLN A 117 -2.785 10.983 -44.084 1.00 55.44 H new ATOM 0 HB3 GLN A 117 -2.960 12.166 -45.364 1.00 55.44 H new ATOM 0 HG2 GLN A 117 -2.738 13.723 -43.050 1.00 63.21 H new ATOM 0 HG3 GLN A 117 -1.623 12.400 -42.769 1.00 63.21 H new ATOM 0 HE21 GLN A 117 -0.181 11.834 -44.739 1.00 23.03 H new ATOM 0 HE22 GLN A 117 0.515 13.215 -45.592 1.00 23.03 H new ATOM 1885 N ALA A 118 -5.696 10.138 -44.529 1.00 41.42 N ATOM 1886 CA ALA A 118 -6.524 9.270 -45.357 1.00 75.21 C ATOM 1887 C ALA A 118 -7.974 9.284 -44.889 1.00 22.14 C ATOM 1888 O ALA A 118 -8.717 8.327 -45.109 1.00 73.33 O ATOM 1889 CB ALA A 118 -5.976 7.850 -45.343 1.00 31.44 C ATOM 0 H ALA A 118 -5.350 9.701 -43.675 1.00 41.42 H new ATOM 0 HA ALA A 118 -6.497 9.649 -46.379 1.00 75.21 H new ATOM 0 HB1 ALA A 118 -6.603 7.212 -45.965 1.00 31.44 H new ATOM 0 HB2 ALA A 118 -4.958 7.849 -45.733 1.00 31.44 H new ATOM 0 HB3 ALA A 118 -5.974 7.471 -44.321 1.00 31.44 H new ATOM 1895 N ALA A 119 -8.373 10.375 -44.243 1.00 13.13 N ATOM 1896 CA ALA A 119 -9.735 10.513 -43.746 1.00 43.04 C ATOM 1897 C ALA A 119 -10.306 11.887 -44.083 1.00 23.10 C ATOM 1898 O ALA A 119 -11.315 11.995 -44.780 1.00 42.12 O ATOM 1899 CB ALA A 119 -9.775 10.279 -42.242 1.00 23.22 C ATOM 0 H ALA A 119 -7.771 11.176 -44.052 1.00 13.13 H new ATOM 0 HA ALA A 119 -10.352 9.760 -44.237 1.00 43.04 H new ATOM 0 HB1 ALA A 119 -10.799 10.385 -41.884 1.00 23.22 H new ATOM 0 HB2 ALA A 119 -9.416 9.274 -42.020 1.00 23.22 H new ATOM 0 HB3 ALA A 119 -9.139 11.010 -41.743 1.00 23.22 H new ATOM 1905 N ALA A 120 -9.655 12.932 -43.585 1.00 74.21 N ATOM 1906 CA ALA A 120 -10.097 14.298 -43.836 1.00 42.15 C ATOM 1907 C ALA A 120 -10.180 14.583 -45.332 1.00 43.24 C ATOM 1908 O ALA A 120 -11.079 15.288 -45.790 1.00 15.35 O ATOM 1909 CB ALA A 120 -9.162 15.288 -43.159 1.00 53.43 C ATOM 0 H ALA A 120 -8.819 12.859 -43.005 1.00 74.21 H new ATOM 0 HA ALA A 120 -11.096 14.413 -43.416 1.00 42.15 H new ATOM 0 HB1 ALA A 120 -9.504 16.304 -43.355 1.00 53.43 H new ATOM 0 HB2 ALA A 120 -9.158 15.108 -42.084 1.00 53.43 H new ATOM 0 HB3 ALA A 120 -8.153 15.163 -43.552 1.00 53.43 H new ATOM 1915 N ASP A 121 -9.236 14.031 -46.086 1.00 22.43 N ATOM 1916 CA ASP A 121 -9.203 14.225 -47.531 1.00 12.13 C ATOM 1917 C ASP A 121 -10.415 13.579 -48.195 1.00 51.34 C ATOM 1918 O ASP A 121 -10.982 14.125 -49.142 1.00 23.43 O ATOM 1919 CB ASP A 121 -7.915 13.643 -48.115 1.00 24.53 C ATOM 1920 CG ASP A 121 -7.728 14.002 -49.576 1.00 21.22 C ATOM 1921 OD1 ASP A 121 -8.369 13.356 -50.433 1.00 53.10 O ATOM 1922 OD2 ASP A 121 -6.942 14.928 -49.864 1.00 64.41 O ATOM 0 H ASP A 121 -8.484 13.446 -45.721 1.00 22.43 H new ATOM 0 HA ASP A 121 -9.232 15.296 -47.730 1.00 12.13 H new ATOM 0 HB2 ASP A 121 -7.062 14.008 -47.542 1.00 24.53 H new ATOM 0 HB3 ASP A 121 -7.929 12.558 -48.009 1.00 24.53 H new ATOM 1927 N THR A 122 -10.808 12.414 -47.692 1.00 21.30 N ATOM 1928 CA THR A 122 -11.950 11.692 -48.237 1.00 65.31 C ATOM 1929 C THR A 122 -13.214 11.973 -47.431 1.00 15.34 C ATOM 1930 O THR A 122 -13.608 11.180 -46.578 1.00 73.25 O ATOM 1931 CB THR A 122 -11.698 10.172 -48.258 1.00 13.33 C ATOM 1932 OG1 THR A 122 -10.981 9.778 -47.084 1.00 52.35 O ATOM 1933 CG2 THR A 122 -10.911 9.773 -49.498 1.00 41.14 C ATOM 0 H THR A 122 -10.352 11.950 -46.907 1.00 21.30 H new ATOM 0 HA THR A 122 -12.086 12.045 -49.259 1.00 65.31 H new ATOM 0 HB THR A 122 -12.663 9.665 -48.280 1.00 13.33 H new ATOM 0 HG1 THR A 122 -10.826 8.811 -47.104 1.00 52.35 H new ATOM 0 HG21 THR A 122 -10.744 8.696 -49.492 1.00 41.14 H new ATOM 0 HG22 THR A 122 -11.473 10.048 -50.390 1.00 41.14 H new ATOM 0 HG23 THR A 122 -9.951 10.289 -49.501 1.00 41.14 H new ATOM 1941 N GLY A 123 -13.846 13.111 -47.708 1.00 33.51 N ATOM 1942 CA GLY A 123 -15.059 13.476 -47.001 1.00 50.04 C ATOM 1943 C GLY A 123 -15.225 14.978 -46.870 1.00 34.34 C ATOM 1944 O GLY A 123 -14.246 15.722 -46.918 1.00 44.23 O ATOM 0 H GLY A 123 -13.539 13.785 -48.409 1.00 33.51 H new ATOM 0 HA2 GLY A 123 -15.920 13.063 -47.526 1.00 50.04 H new ATOM 0 HA3 GLY A 123 -15.046 13.027 -46.008 1.00 50.04 H new ATOM 1948 N ASN A 124 -16.466 15.423 -46.708 1.00 73.44 N ATOM 1949 CA ASN A 124 -16.756 16.845 -46.573 1.00 12.40 C ATOM 1950 C ASN A 124 -16.284 17.371 -45.220 1.00 4.34 C ATOM 1951 O ASN A 124 -16.669 16.852 -44.173 1.00 22.03 O ATOM 1952 CB ASN A 124 -18.255 17.099 -46.737 1.00 44.31 C ATOM 1953 CG ASN A 124 -18.565 18.545 -47.072 1.00 14.13 C ATOM 1954 OD1 ASN A 124 -18.046 19.092 -48.047 1.00 43.52 O ATOM 1955 ND2 ASN A 124 -19.412 19.173 -46.266 1.00 63.50 N ATOM 0 H ASN A 124 -17.287 14.819 -46.667 1.00 73.44 H new ATOM 0 HA ASN A 124 -16.217 17.376 -47.357 1.00 12.40 H new ATOM 0 HB2 ASN A 124 -18.645 16.455 -47.525 1.00 44.31 H new ATOM 0 HB3 ASN A 124 -18.770 16.824 -45.816 1.00 44.31 H new ATOM 0 HD21 ASN A 124 -19.657 20.147 -46.443 1.00 63.50 H new ATOM 0 HD22 ASN A 124 -19.818 18.681 -45.470 1.00 63.50 H new ATOM 1962 N ASN A 125 -15.449 18.405 -45.252 1.00 23.54 N ATOM 1963 CA ASN A 125 -14.925 19.002 -44.029 1.00 24.23 C ATOM 1964 C ASN A 125 -14.925 20.525 -44.123 1.00 35.40 C ATOM 1965 O ASN A 125 -14.501 21.094 -45.129 1.00 73.03 O ATOM 1966 CB ASN A 125 -13.507 18.495 -43.757 1.00 44.01 C ATOM 1967 CG ASN A 125 -12.515 18.969 -44.801 1.00 72.42 C ATOM 1968 OD1 ASN A 125 -12.443 18.420 -45.901 1.00 25.11 O ATOM 1969 ND2 ASN A 125 -11.741 19.993 -44.461 1.00 73.13 N ATOM 0 H ASN A 125 -15.121 18.846 -46.111 1.00 23.54 H new ATOM 0 HA ASN A 125 -15.573 18.708 -43.204 1.00 24.23 H new ATOM 0 HB2 ASN A 125 -13.185 18.835 -42.773 1.00 44.01 H new ATOM 0 HB3 ASN A 125 -13.512 17.405 -43.732 1.00 44.01 H new ATOM 0 HD21 ASN A 125 -11.053 20.354 -45.122 1.00 73.13 H new ATOM 0 HD22 ASN A 125 -11.834 20.418 -43.539 1.00 73.13 H new ATOM 1976 N SER A 126 -15.401 21.177 -43.068 1.00 4.11 N ATOM 1977 CA SER A 126 -15.459 22.634 -43.033 1.00 21.41 C ATOM 1978 C SER A 126 -14.625 23.182 -41.880 1.00 43.24 C ATOM 1979 O SER A 126 -13.549 23.741 -42.090 1.00 41.15 O ATOM 1980 CB SER A 126 -16.909 23.105 -42.899 1.00 53.31 C ATOM 1981 OG SER A 126 -17.660 22.779 -44.055 1.00 65.32 O ATOM 0 H SER A 126 -15.752 20.720 -42.226 1.00 4.11 H new ATOM 0 HA SER A 126 -15.047 23.013 -43.969 1.00 21.41 H new ATOM 0 HB2 SER A 126 -17.365 22.643 -42.023 1.00 53.31 H new ATOM 0 HB3 SER A 126 -16.931 24.183 -42.739 1.00 53.31 H new ATOM 0 HG SER A 126 -18.583 23.089 -43.944 1.00 65.32 H new ATOM 1987 N GLN A 127 -15.132 23.019 -40.662 1.00 72.14 N ATOM 1988 CA GLN A 127 -14.434 23.498 -39.474 1.00 74.15 C ATOM 1989 C GLN A 127 -14.452 22.446 -38.370 1.00 72.41 C ATOM 1990 O GLN A 127 -15.185 21.460 -38.449 1.00 41.10 O ATOM 1991 CB GLN A 127 -15.072 24.794 -38.970 1.00 32.14 C ATOM 1992 CG GLN A 127 -16.428 24.589 -38.314 1.00 13.33 C ATOM 1993 CD GLN A 127 -17.162 25.893 -38.072 1.00 54.21 C ATOM 1994 OE1 GLN A 127 -16.613 26.976 -38.281 1.00 25.32 O ATOM 1995 NE2 GLN A 127 -18.410 25.797 -37.629 1.00 40.13 N ATOM 0 H GLN A 127 -16.023 22.559 -40.472 1.00 72.14 H new ATOM 0 HA GLN A 127 -13.397 23.694 -39.747 1.00 74.15 H new ATOM 0 HB2 GLN A 127 -14.399 25.266 -38.254 1.00 32.14 H new ATOM 0 HB3 GLN A 127 -15.183 25.484 -39.806 1.00 32.14 H new ATOM 0 HG2 GLN A 127 -17.039 23.944 -38.946 1.00 13.33 H new ATOM 0 HG3 GLN A 127 -16.293 24.071 -37.365 1.00 13.33 H new ATOM 0 HE21 GLN A 127 -18.825 24.879 -37.470 1.00 40.13 H new ATOM 0 HE22 GLN A 127 -18.953 26.641 -37.448 1.00 40.13 H new ATOM 2004 N VAL A 128 -13.639 22.661 -37.340 1.00 2.22 N ATOM 2005 CA VAL A 128 -13.562 21.732 -36.220 1.00 64.23 C ATOM 2006 C VAL A 128 -13.702 22.463 -34.889 1.00 42.11 C ATOM 2007 O VAL A 128 -12.709 22.757 -34.223 1.00 4.42 O ATOM 2008 CB VAL A 128 -12.234 20.952 -36.227 1.00 62.12 C ATOM 2009 CG1 VAL A 128 -12.211 19.926 -35.105 1.00 31.10 C ATOM 2010 CG2 VAL A 128 -12.017 20.284 -37.576 1.00 24.34 C ATOM 0 H VAL A 128 -13.024 23.471 -37.259 1.00 2.22 H new ATOM 0 HA VAL A 128 -14.388 21.030 -36.335 1.00 64.23 H new ATOM 0 HB VAL A 128 -11.418 21.655 -36.060 1.00 62.12 H new ATOM 0 HG11 VAL A 128 -11.265 19.385 -35.126 1.00 31.10 H new ATOM 0 HG12 VAL A 128 -12.318 20.433 -34.146 1.00 31.10 H new ATOM 0 HG13 VAL A 128 -13.034 19.223 -35.237 1.00 31.10 H new ATOM 0 HG21 VAL A 128 -11.074 19.737 -37.564 1.00 24.34 H new ATOM 0 HG22 VAL A 128 -12.835 19.592 -37.775 1.00 24.34 H new ATOM 0 HG23 VAL A 128 -11.986 21.043 -38.357 1.00 24.34 H new ATOM 2020 N SER A 129 -14.942 22.754 -34.506 1.00 15.43 N ATOM 2021 CA SER A 129 -15.211 23.454 -33.256 1.00 2.11 C ATOM 2022 C SER A 129 -16.546 23.010 -32.663 1.00 75.10 C ATOM 2023 O SER A 129 -17.395 23.837 -32.334 1.00 71.11 O ATOM 2024 CB SER A 129 -15.221 24.967 -33.486 1.00 51.03 C ATOM 2025 OG SER A 129 -13.953 25.424 -33.926 1.00 62.24 O ATOM 0 H SER A 129 -15.775 22.516 -35.044 1.00 15.43 H new ATOM 0 HA SER A 129 -14.418 23.206 -32.551 1.00 2.11 H new ATOM 0 HB2 SER A 129 -15.980 25.221 -34.227 1.00 51.03 H new ATOM 0 HB3 SER A 129 -15.494 25.477 -32.562 1.00 51.03 H new ATOM 0 HG SER A 129 -13.986 26.393 -34.067 1.00 62.24 H new ATOM 2031 N GLN A 130 -16.719 21.699 -32.528 1.00 13.23 N ATOM 2032 CA GLN A 130 -17.949 21.145 -31.975 1.00 34.11 C ATOM 2033 C GLN A 130 -17.657 20.293 -30.745 1.00 33.44 C ATOM 2034 O GLN A 130 -16.993 19.261 -30.838 1.00 71.52 O ATOM 2035 CB GLN A 130 -18.676 20.309 -33.029 1.00 4.51 C ATOM 2036 CG GLN A 130 -19.604 21.123 -33.917 1.00 23.25 C ATOM 2037 CD GLN A 130 -20.753 21.742 -33.147 1.00 62.20 C ATOM 2038 OE1 GLN A 130 -20.800 22.956 -32.949 1.00 13.22 O ATOM 2039 NE2 GLN A 130 -21.689 20.909 -32.708 1.00 42.02 N ATOM 0 H GLN A 130 -16.024 21.002 -32.794 1.00 13.23 H new ATOM 0 HA GLN A 130 -18.589 21.975 -31.676 1.00 34.11 H new ATOM 0 HB2 GLN A 130 -17.938 19.805 -33.654 1.00 4.51 H new ATOM 0 HB3 GLN A 130 -19.254 19.532 -32.529 1.00 4.51 H new ATOM 0 HG2 GLN A 130 -19.033 21.912 -34.407 1.00 23.25 H new ATOM 0 HG3 GLN A 130 -20.002 20.482 -34.704 1.00 23.25 H new ATOM 0 HE21 GLN A 130 -21.610 19.909 -32.895 1.00 42.02 H new ATOM 0 HE22 GLN A 130 -22.487 21.269 -32.184 1.00 42.02 H new ATOM 2048 N ASN A 131 -18.157 20.730 -29.594 1.00 14.53 N ATOM 2049 CA ASN A 131 -17.948 20.007 -28.345 1.00 33.44 C ATOM 2050 C ASN A 131 -19.247 19.371 -27.861 1.00 2.00 C ATOM 2051 O ASN A 131 -20.281 19.469 -28.522 1.00 44.55 O ATOM 2052 CB ASN A 131 -17.396 20.948 -27.272 1.00 2.34 C ATOM 2053 CG ASN A 131 -16.039 21.514 -27.642 1.00 10.42 C ATOM 2054 OD1 ASN A 131 -15.389 21.041 -28.575 1.00 44.20 O ATOM 2055 ND2 ASN A 131 -15.604 22.534 -26.911 1.00 61.03 N ATOM 0 H ASN A 131 -18.710 21.582 -29.500 1.00 14.53 H new ATOM 0 HA ASN A 131 -17.223 19.214 -28.530 1.00 33.44 H new ATOM 0 HB2 ASN A 131 -18.098 21.767 -27.115 1.00 2.34 H new ATOM 0 HB3 ASN A 131 -17.317 20.411 -26.327 1.00 2.34 H new ATOM 0 HD21 ASN A 131 -14.698 22.957 -27.114 1.00 61.03 H new ATOM 0 HD22 ASN A 131 -16.176 22.894 -26.147 1.00 61.03 H new ATOM 2062 N TYR A 132 -19.186 18.721 -26.705 1.00 32.01 N ATOM 2063 CA TYR A 132 -20.357 18.067 -26.132 1.00 13.23 C ATOM 2064 C TYR A 132 -20.531 18.449 -24.666 1.00 24.32 C ATOM 2065 O TYR A 132 -21.611 18.859 -24.246 1.00 42.42 O ATOM 2066 CB TYR A 132 -20.235 16.548 -26.265 1.00 73.02 C ATOM 2067 CG TYR A 132 -21.566 15.833 -26.282 1.00 25.50 C ATOM 2068 CD1 TYR A 132 -22.281 15.681 -27.465 1.00 71.12 C ATOM 2069 CD2 TYR A 132 -22.111 15.309 -25.116 1.00 44.12 C ATOM 2070 CE1 TYR A 132 -23.498 15.029 -27.485 1.00 43.13 C ATOM 2071 CE2 TYR A 132 -23.328 14.655 -25.128 1.00 61.31 C ATOM 2072 CZ TYR A 132 -24.017 14.517 -26.314 1.00 2.21 C ATOM 2073 OH TYR A 132 -25.230 13.866 -26.330 1.00 50.21 O ATOM 0 H TYR A 132 -18.338 18.632 -26.145 1.00 32.01 H new ATOM 0 HA TYR A 132 -21.236 18.403 -26.683 1.00 13.23 H new ATOM 0 HB2 TYR A 132 -19.695 16.314 -27.182 1.00 73.02 H new ATOM 0 HB3 TYR A 132 -19.637 16.166 -25.437 1.00 73.02 H new ATOM 0 HD1 TYR A 132 -21.877 16.080 -28.384 1.00 71.12 H new ATOM 0 HD2 TYR A 132 -21.574 15.415 -24.185 1.00 44.12 H new ATOM 0 HE1 TYR A 132 -24.041 14.920 -28.412 1.00 43.13 H new ATOM 0 HE2 TYR A 132 -23.738 14.254 -24.213 1.00 61.31 H new ATOM 0 HH TYR A 132 -25.452 13.565 -25.424 1.00 50.21 H new TER 2083 TYR A 132