USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 180:sc= -0.225 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.294 X(o=-0.52,f=-0.45) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.216 K(o=0.41,f=-0.098) USER MOD Set 2.2: A 108 GLN : amide:sc= 0.191 K(o=0.41,f=-0.098) USER MOD Set 3.1: A 29 TYR OH : rot 169:sc= 1.02 USER MOD Set 3.2: A 97 THR OG1 : rot 124:sc= 1.58 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0948 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0677) 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 X(o=0,f=0) 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= -1.6 K(o=-1.6,f=-6.8!) USER MOD Single : A 38 SER OG : rot 84:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 THR OG1 : rot -24:sc= 1.55 USER MOD Single : A 54 SER OG : rot 130:sc= 0.59 USER MOD Single : A 57 CYS SG : rot -101:sc= -0.552 USER MOD Single : A 59 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -0.149 K(o=-0.15,f=-3.6) USER MOD Single : A 67 SER OG : rot 160:sc= -0.968! USER MOD Single : A 69 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.607 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 80 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2.2!) USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.0266 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.432 USER MOD Single : A 89 HIS : +bothHN:sc= -0.589! C(o=-0.59!,f=-4.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= -0.138 (180deg=-0.652) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc=-0.00525 X(o=-0.0052,f=0) 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 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 125:sc= -0.147 (180deg=-0.712) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.79! C(o=-3.1!,f=-1.8!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : A 124 ASN : amide:sc= -0.0352 X(o=-0.035,f=0.26) USER MOD Single : A 125 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.6!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -3.907 0.619 -1.894 1.00 13.00 N ATOM 2 CA GLY A 2 -3.114 0.060 -2.973 1.00 45.03 C ATOM 3 C GLY A 2 -1.864 0.870 -3.255 1.00 71.41 C ATOM 4 O GLY A 2 -1.907 2.100 -3.284 1.00 32.32 O ATOM 0 HA2 GLY A 2 -2.831 -0.962 -2.720 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -3.721 0.008 -3.877 1.00 45.03 H new ATOM 8 N ALA A 3 -0.748 0.180 -3.461 1.00 61.32 N ATOM 9 CA ALA A 3 0.520 0.843 -3.742 1.00 21.33 C ATOM 10 C ALA A 3 1.324 0.073 -4.784 1.00 31.44 C ATOM 11 O ALA A 3 1.426 -1.152 -4.721 1.00 23.00 O ATOM 12 CB ALA A 3 1.326 1.003 -2.462 1.00 23.33 C ATOM 0 H ALA A 3 -0.695 -0.838 -3.439 1.00 61.32 H new ATOM 0 HA ALA A 3 0.303 1.831 -4.148 1.00 21.33 H new ATOM 0 HB1 ALA A 3 2.270 1.499 -2.686 1.00 23.33 H new ATOM 0 HB2 ALA A 3 0.761 1.603 -1.749 1.00 23.33 H new ATOM 0 HB3 ALA A 3 1.525 0.021 -2.032 1.00 23.33 H new ATOM 18 N ARG A 4 1.893 0.799 -5.741 1.00 74.53 N ATOM 19 CA ARG A 4 2.686 0.183 -6.797 1.00 13.13 C ATOM 20 C ARG A 4 4.050 -0.253 -6.268 1.00 54.14 C ATOM 21 O ARG A 4 4.712 0.489 -5.545 1.00 62.32 O ATOM 22 CB ARG A 4 2.867 1.157 -7.963 1.00 20.04 C ATOM 23 CG ARG A 4 1.598 1.386 -8.767 1.00 43.52 C ATOM 24 CD ARG A 4 1.902 2.017 -10.118 1.00 74.23 C ATOM 25 NE ARG A 4 0.696 2.527 -10.766 1.00 24.42 N ATOM 26 CZ ARG A 4 0.033 3.598 -10.346 1.00 2.10 C ATOM 27 NH1 ARG A 4 0.456 4.269 -9.283 1.00 61.30 N1+ ATOM 28 NH2 ARG A 4 -1.055 4.002 -10.989 1.00 71.13 N ATOM 0 H ARG A 4 1.819 1.814 -5.806 1.00 74.53 H new ATOM 0 HA ARG A 4 2.153 -0.700 -7.150 1.00 13.13 H new ATOM 0 HB2 ARG A 4 3.219 2.113 -7.576 1.00 20.04 H new ATOM 0 HB3 ARG A 4 3.644 0.776 -8.626 1.00 20.04 H new ATOM 0 HG2 ARG A 4 1.083 0.437 -8.915 1.00 43.52 H new ATOM 0 HG3 ARG A 4 0.922 2.031 -8.206 1.00 43.52 H new ATOM 0 HD2 ARG A 4 2.615 2.831 -9.986 1.00 74.23 H new ATOM 0 HD3 ARG A 4 2.377 1.279 -10.765 1.00 74.23 H new ATOM 0 HE ARG A 4 0.344 2.033 -11.586 1.00 24.42 H new ATOM 0 HH11 ARG A 4 1.292 3.963 -8.786 1.00 61.30 H new ATOM 0 HH12 ARG A 4 -0.055 5.091 -8.962 1.00 61.30 H new ATOM 0 HH21 ARG A 4 -1.383 3.490 -11.807 1.00 71.13 H new ATOM 0 HH22 ARG A 4 -1.563 4.825 -10.665 1.00 71.13 H new ATOM 42 N ALA A 5 4.461 -1.463 -6.635 1.00 13.22 N ATOM 43 CA ALA A 5 5.745 -1.998 -6.199 1.00 3.40 C ATOM 44 C ALA A 5 6.618 -2.369 -7.393 1.00 10.21 C ATOM 45 O ALA A 5 6.125 -2.535 -8.509 1.00 14.14 O ATOM 46 CB ALA A 5 5.535 -3.207 -5.300 1.00 41.34 C ATOM 0 H ALA A 5 3.923 -2.091 -7.233 1.00 13.22 H new ATOM 0 HA ALA A 5 6.261 -1.223 -5.632 1.00 3.40 H new ATOM 0 HB1 ALA A 5 6.502 -3.596 -4.982 1.00 41.34 H new ATOM 0 HB2 ALA A 5 4.956 -2.913 -4.424 1.00 41.34 H new ATOM 0 HB3 ALA A 5 4.996 -3.979 -5.849 1.00 41.34 H new ATOM 52 N SER A 6 7.919 -2.497 -7.152 1.00 60.54 N ATOM 53 CA SER A 6 8.862 -2.845 -8.209 1.00 3.45 C ATOM 54 C SER A 6 9.543 -4.177 -7.912 1.00 41.23 C ATOM 55 O SER A 6 10.348 -4.284 -6.987 1.00 33.22 O ATOM 56 CB SER A 6 9.914 -1.745 -8.364 1.00 14.43 C ATOM 57 OG SER A 6 9.305 -0.478 -8.547 1.00 15.45 O ATOM 0 H SER A 6 8.344 -2.365 -6.234 1.00 60.54 H new ATOM 0 HA SER A 6 8.306 -2.941 -9.142 1.00 3.45 H new ATOM 0 HB2 SER A 6 10.552 -1.721 -7.481 1.00 14.43 H new ATOM 0 HB3 SER A 6 10.556 -1.969 -9.215 1.00 14.43 H new ATOM 0 HG SER A 6 9.999 0.208 -8.642 1.00 15.45 H new ATOM 63 N VAL A 7 9.215 -5.192 -8.706 1.00 41.53 N ATOM 64 CA VAL A 7 9.795 -6.518 -8.531 1.00 22.01 C ATOM 65 C VAL A 7 11.183 -6.597 -9.158 1.00 62.50 C ATOM 66 O VAL A 7 12.178 -6.811 -8.464 1.00 75.32 O ATOM 67 CB VAL A 7 8.901 -7.607 -9.151 1.00 31.52 C ATOM 68 CG1 VAL A 7 9.473 -8.990 -8.873 1.00 3.43 C ATOM 69 CG2 VAL A 7 7.479 -7.494 -8.621 1.00 43.02 C ATOM 0 H VAL A 7 8.551 -5.121 -9.477 1.00 41.53 H new ATOM 0 HA VAL A 7 9.874 -6.691 -7.458 1.00 22.01 H new ATOM 0 HB VAL A 7 8.875 -7.460 -10.231 1.00 31.52 H new ATOM 0 HG11 VAL A 7 8.828 -9.747 -9.319 1.00 3.43 H new ATOM 0 HG12 VAL A 7 10.471 -9.064 -9.304 1.00 3.43 H new ATOM 0 HG13 VAL A 7 9.530 -9.150 -7.796 1.00 3.43 H new ATOM 0 HG21 VAL A 7 6.861 -8.271 -9.070 1.00 43.02 H new ATOM 0 HG22 VAL A 7 7.484 -7.614 -7.538 1.00 43.02 H new ATOM 0 HG23 VAL A 7 7.073 -6.515 -8.875 1.00 43.02 H new ATOM 79 N LEU A 8 11.243 -6.424 -10.473 1.00 30.25 N ATOM 80 CA LEU A 8 12.510 -6.475 -11.195 1.00 21.30 C ATOM 81 C LEU A 8 12.792 -5.150 -11.894 1.00 43.05 C ATOM 82 O LEU A 8 11.993 -4.682 -12.706 1.00 21.01 O ATOM 83 CB LEU A 8 12.490 -7.612 -12.218 1.00 30.11 C ATOM 84 CG LEU A 8 12.407 -9.028 -11.648 1.00 13.15 C ATOM 85 CD1 LEU A 8 12.252 -10.046 -12.766 1.00 54.45 C ATOM 86 CD2 LEU A 8 13.638 -9.338 -10.809 1.00 10.15 C ATOM 0 H LEU A 8 10.429 -6.247 -11.062 1.00 30.25 H new ATOM 0 HA LEU A 8 13.305 -6.659 -10.473 1.00 21.30 H new ATOM 0 HB2 LEU A 8 11.640 -7.460 -12.884 1.00 30.11 H new ATOM 0 HB3 LEU A 8 13.390 -7.540 -12.829 1.00 30.11 H new ATOM 0 HG LEU A 8 11.529 -9.089 -11.005 1.00 13.15 H new ATOM 0 HD11 LEU A 8 12.195 -11.048 -12.340 1.00 54.45 H new ATOM 0 HD12 LEU A 8 11.340 -9.836 -13.325 1.00 54.45 H new ATOM 0 HD13 LEU A 8 13.110 -9.985 -13.435 1.00 54.45 H new ATOM 0 HD21 LEU A 8 13.562 -10.350 -10.411 1.00 10.15 H new ATOM 0 HD22 LEU A 8 14.531 -9.258 -11.429 1.00 10.15 H new ATOM 0 HD23 LEU A 8 13.705 -8.628 -9.984 1.00 10.15 H new ATOM 98 N SER A 9 13.935 -4.551 -11.577 1.00 3.52 N ATOM 99 CA SER A 9 14.323 -3.277 -12.174 1.00 73.13 C ATOM 100 C SER A 9 14.690 -3.457 -13.644 1.00 51.12 C ATOM 101 O SER A 9 14.511 -4.533 -14.213 1.00 2.41 O ATOM 102 CB SER A 9 15.502 -2.670 -11.412 1.00 71.32 C ATOM 103 OG SER A 9 16.730 -3.235 -11.839 1.00 74.33 O ATOM 0 H SER A 9 14.609 -4.927 -10.910 1.00 3.52 H new ATOM 0 HA SER A 9 13.472 -2.599 -12.110 1.00 73.13 H new ATOM 0 HB2 SER A 9 15.522 -1.591 -11.565 1.00 71.32 H new ATOM 0 HB3 SER A 9 15.373 -2.838 -10.343 1.00 71.32 H new ATOM 0 HG SER A 9 17.468 -2.829 -11.338 1.00 74.33 H new ATOM 109 N GLY A 10 15.205 -2.393 -14.253 1.00 51.00 N ATOM 110 CA GLY A 10 15.589 -2.452 -15.652 1.00 23.24 C ATOM 111 C GLY A 10 16.551 -3.587 -15.941 1.00 75.42 C ATOM 112 O GLY A 10 16.336 -4.373 -16.863 1.00 44.51 O ATOM 0 H GLY A 10 15.363 -1.491 -13.803 1.00 51.00 H new ATOM 0 HA2 GLY A 10 14.696 -2.571 -16.266 1.00 23.24 H new ATOM 0 HA3 GLY A 10 16.050 -1.507 -15.939 1.00 23.24 H new ATOM 116 N GLY A 11 17.616 -3.674 -15.150 1.00 21.31 N ATOM 117 CA GLY A 11 18.599 -4.724 -15.344 1.00 21.45 C ATOM 118 C GLY A 11 18.044 -6.102 -15.042 1.00 1.23 C ATOM 119 O GLY A 11 18.256 -7.043 -15.804 1.00 54.42 O ATOM 0 H GLY A 11 17.816 -3.037 -14.379 1.00 21.31 H new ATOM 0 HA2 GLY A 11 18.956 -4.697 -16.374 1.00 21.45 H new ATOM 0 HA3 GLY A 11 19.460 -4.534 -14.703 1.00 21.45 H new ATOM 123 N GLU A 12 17.333 -6.219 -13.925 1.00 32.40 N ATOM 124 CA GLU A 12 16.748 -7.494 -13.523 1.00 10.43 C ATOM 125 C GLU A 12 15.722 -7.969 -14.548 1.00 43.45 C ATOM 126 O GLU A 12 15.504 -9.169 -14.715 1.00 32.35 O ATOM 127 CB GLU A 12 16.089 -7.367 -12.148 1.00 64.30 C ATOM 128 CG GLU A 12 16.961 -6.668 -11.117 1.00 51.55 C ATOM 129 CD GLU A 12 16.352 -6.688 -9.729 1.00 10.54 C ATOM 130 OE1 GLU A 12 15.573 -5.764 -9.411 1.00 24.12 O ATOM 131 OE2 GLU A 12 16.653 -7.625 -8.961 1.00 21.22 O1- ATOM 0 H GLU A 12 17.148 -5.448 -13.283 1.00 32.40 H new ATOM 0 HA GLU A 12 17.549 -8.231 -13.468 1.00 10.43 H new ATOM 0 HB2 GLU A 12 15.153 -6.818 -12.252 1.00 64.30 H new ATOM 0 HB3 GLU A 12 15.836 -8.362 -11.783 1.00 64.30 H new ATOM 0 HG2 GLU A 12 17.939 -7.149 -11.088 1.00 51.55 H new ATOM 0 HG3 GLU A 12 17.123 -5.635 -11.424 1.00 51.55 H new ATOM 138 N LEU A 13 15.096 -7.019 -15.233 1.00 41.40 N ATOM 139 CA LEU A 13 14.092 -7.338 -16.243 1.00 24.11 C ATOM 140 C LEU A 13 14.728 -8.036 -17.440 1.00 41.43 C ATOM 141 O LEU A 13 14.327 -9.138 -17.815 1.00 41.15 O ATOM 142 CB LEU A 13 13.377 -6.066 -16.700 1.00 52.21 C ATOM 143 CG LEU A 13 12.063 -6.269 -17.456 1.00 71.23 C ATOM 144 CD1 LEU A 13 11.078 -7.061 -16.610 1.00 15.42 C ATOM 145 CD2 LEU A 13 11.467 -4.929 -17.859 1.00 3.13 C ATOM 0 H LEU A 13 15.266 -6.021 -15.108 1.00 41.40 H new ATOM 0 HA LEU A 13 13.364 -8.015 -15.795 1.00 24.11 H new ATOM 0 HB2 LEU A 13 13.177 -5.451 -15.823 1.00 52.21 H new ATOM 0 HB3 LEU A 13 14.056 -5.501 -17.338 1.00 52.21 H new ATOM 0 HG LEU A 13 12.271 -6.838 -18.362 1.00 71.23 H new ATOM 0 HD11 LEU A 13 10.149 -7.196 -17.164 1.00 15.42 H new ATOM 0 HD12 LEU A 13 11.504 -8.036 -16.373 1.00 15.42 H new ATOM 0 HD13 LEU A 13 10.874 -6.520 -15.686 1.00 15.42 H new ATOM 0 HD21 LEU A 13 10.533 -5.093 -18.396 1.00 3.13 H new ATOM 0 HD22 LEU A 13 11.273 -4.334 -16.967 1.00 3.13 H new ATOM 0 HD23 LEU A 13 12.168 -4.398 -18.504 1.00 3.13 H new ATOM 157 N ASP A 14 15.723 -7.388 -18.037 1.00 1.45 N ATOM 158 CA ASP A 14 16.418 -7.947 -19.191 1.00 12.41 C ATOM 159 C ASP A 14 16.899 -9.365 -18.900 1.00 54.40 C ATOM 160 O ASP A 14 16.710 -10.274 -19.709 1.00 71.24 O ATOM 161 CB ASP A 14 17.603 -7.062 -19.577 1.00 61.31 C ATOM 162 CG ASP A 14 17.786 -6.963 -21.079 1.00 2.23 C ATOM 163 OD1 ASP A 14 17.244 -7.825 -21.801 1.00 34.11 O1- ATOM 164 OD2 ASP A 14 18.473 -6.022 -21.532 1.00 40.11 O ATOM 0 H ASP A 14 16.066 -6.474 -17.740 1.00 1.45 H new ATOM 0 HA ASP A 14 15.716 -7.984 -20.024 1.00 12.41 H new ATOM 0 HB2 ASP A 14 17.457 -6.064 -19.165 1.00 61.31 H new ATOM 0 HB3 ASP A 14 18.513 -7.462 -19.129 1.00 61.31 H new ATOM 169 N LYS A 15 17.521 -9.547 -17.741 1.00 51.23 N ATOM 170 CA LYS A 15 18.030 -10.855 -17.343 1.00 13.51 C ATOM 171 C LYS A 15 16.885 -11.828 -17.084 1.00 13.02 C ATOM 172 O LYS A 15 16.967 -13.005 -17.433 1.00 43.13 O ATOM 173 CB LYS A 15 18.898 -10.726 -16.089 1.00 74.33 C ATOM 174 CG LYS A 15 20.040 -9.736 -16.238 1.00 51.55 C ATOM 175 CD LYS A 15 20.639 -9.368 -14.892 1.00 71.52 C ATOM 176 CE LYS A 15 22.051 -8.820 -15.041 1.00 74.20 C ATOM 177 NZ LYS A 15 22.342 -7.760 -14.036 1.00 55.01 N1+ ATOM 0 H LYS A 15 17.685 -8.806 -17.060 1.00 51.23 H new ATOM 0 HA LYS A 15 18.637 -11.246 -18.160 1.00 13.51 H new ATOM 0 HB2 LYS A 15 18.270 -10.420 -15.253 1.00 74.33 H new ATOM 0 HB3 LYS A 15 19.307 -11.705 -15.839 1.00 74.33 H new ATOM 0 HG2 LYS A 15 20.813 -10.164 -16.876 1.00 51.55 H new ATOM 0 HG3 LYS A 15 19.679 -8.835 -16.735 1.00 51.55 H new ATOM 0 HD2 LYS A 15 20.009 -8.625 -14.403 1.00 71.52 H new ATOM 0 HD3 LYS A 15 20.655 -10.247 -14.247 1.00 71.52 H new ATOM 0 HE2 LYS A 15 22.770 -9.632 -14.931 1.00 74.20 H new ATOM 0 HE3 LYS A 15 22.179 -8.414 -16.045 1.00 74.20 H new ATOM 0 HZ1 LYS A 15 23.313 -7.412 -14.170 1.00 55.01 H new ATOM 0 HZ2 LYS A 15 21.672 -6.974 -14.157 1.00 55.01 H new ATOM 0 HZ3 LYS A 15 22.244 -8.153 -13.078 1.00 55.01 H new ATOM 191 N TRP A 16 15.818 -11.328 -16.470 1.00 74.34 N ATOM 192 CA TRP A 16 14.655 -12.155 -16.166 1.00 73.25 C ATOM 193 C TRP A 16 14.089 -12.787 -17.432 1.00 43.23 C ATOM 194 O TRP A 16 13.978 -14.008 -17.531 1.00 70.01 O ATOM 195 CB TRP A 16 13.577 -11.320 -15.473 1.00 20.23 C ATOM 196 CG TRP A 16 12.299 -12.070 -15.245 1.00 22.44 C ATOM 197 CD1 TRP A 16 11.160 -11.992 -15.992 1.00 53.35 C ATOM 198 CD2 TRP A 16 12.031 -13.008 -14.197 1.00 64.42 C ATOM 199 NE1 TRP A 16 10.199 -12.826 -15.473 1.00 23.23 N ATOM 200 CE2 TRP A 16 10.710 -13.461 -14.372 1.00 53.35 C ATOM 201 CE3 TRP A 16 12.781 -13.512 -13.130 1.00 40.33 C ATOM 202 CZ2 TRP A 16 10.123 -14.392 -13.519 1.00 21.33 C ATOM 203 CZ3 TRP A 16 12.197 -14.435 -12.284 1.00 62.12 C ATOM 204 CH2 TRP A 16 10.880 -14.868 -12.482 1.00 33.11 C ATOM 0 H TRP A 16 15.734 -10.356 -16.173 1.00 74.34 H new ATOM 0 HA TRP A 16 14.974 -12.953 -15.496 1.00 73.25 H new ATOM 0 HB2 TRP A 16 13.960 -10.969 -14.515 1.00 20.23 H new ATOM 0 HB3 TRP A 16 13.369 -10.436 -16.076 1.00 20.23 H new ATOM 0 HD1 TRP A 16 11.032 -11.367 -16.863 1.00 53.35 H new ATOM 0 HE1 TRP A 16 9.258 -12.952 -15.847 1.00 23.23 H new ATOM 0 HE3 TRP A 16 13.798 -13.186 -12.970 1.00 40.33 H new ATOM 0 HZ2 TRP A 16 9.107 -14.727 -13.670 1.00 21.33 H new ATOM 0 HZ3 TRP A 16 12.766 -14.830 -11.455 1.00 62.12 H new ATOM 0 HH2 TRP A 16 10.453 -15.592 -11.803 1.00 33.11 H new ATOM 215 N GLU A 17 13.733 -11.947 -18.400 1.00 52.40 N ATOM 216 CA GLU A 17 13.178 -12.425 -19.660 1.00 42.54 C ATOM 217 C GLU A 17 14.157 -13.359 -20.367 1.00 23.04 C ATOM 218 O GLU A 17 13.758 -14.214 -21.156 1.00 42.45 O ATOM 219 CB GLU A 17 12.834 -11.246 -20.573 1.00 21.32 C ATOM 220 CG GLU A 17 11.484 -10.617 -20.271 1.00 53.54 C ATOM 221 CD GLU A 17 10.845 -9.993 -21.497 1.00 14.31 C ATOM 222 OE1 GLU A 17 11.518 -9.188 -22.172 1.00 0.44 O1- ATOM 223 OE2 GLU A 17 9.671 -10.311 -21.780 1.00 31.50 O ATOM 0 H GLU A 17 13.819 -10.933 -18.335 1.00 52.40 H new ATOM 0 HA GLU A 17 12.267 -12.981 -19.437 1.00 42.54 H new ATOM 0 HB2 GLU A 17 13.609 -10.486 -20.478 1.00 21.32 H new ATOM 0 HB3 GLU A 17 12.844 -11.584 -21.609 1.00 21.32 H new ATOM 0 HG2 GLU A 17 10.816 -11.376 -19.864 1.00 53.54 H new ATOM 0 HG3 GLU A 17 11.606 -9.855 -19.502 1.00 53.54 H new ATOM 230 N LYS A 18 15.443 -13.189 -20.076 1.00 10.34 N ATOM 231 CA LYS A 18 16.481 -14.015 -20.680 1.00 74.31 C ATOM 232 C LYS A 18 16.478 -15.417 -20.079 1.00 53.23 C ATOM 233 O LYS A 18 16.510 -16.413 -20.805 1.00 31.45 O ATOM 234 CB LYS A 18 17.854 -13.368 -20.486 1.00 32.20 C ATOM 235 CG LYS A 18 18.505 -12.923 -21.784 1.00 14.44 C ATOM 236 CD LYS A 18 19.860 -13.581 -21.982 1.00 64.23 C ATOM 237 CE LYS A 18 20.855 -12.625 -22.621 1.00 45.23 C ATOM 238 NZ LYS A 18 20.365 -12.106 -23.929 1.00 64.41 N1+ ATOM 0 H LYS A 18 15.791 -12.485 -19.425 1.00 10.34 H new ATOM 0 HA LYS A 18 16.272 -14.095 -21.747 1.00 74.31 H new ATOM 0 HB2 LYS A 18 17.750 -12.506 -19.827 1.00 32.20 H new ATOM 0 HB3 LYS A 18 18.512 -14.076 -19.983 1.00 32.20 H new ATOM 0 HG2 LYS A 18 17.854 -13.170 -22.622 1.00 14.44 H new ATOM 0 HG3 LYS A 18 18.623 -11.839 -21.780 1.00 14.44 H new ATOM 0 HD2 LYS A 18 20.245 -13.920 -21.020 1.00 64.23 H new ATOM 0 HD3 LYS A 18 19.748 -14.465 -22.610 1.00 64.23 H new ATOM 0 HE2 LYS A 18 21.041 -11.790 -21.946 1.00 45.23 H new ATOM 0 HE3 LYS A 18 21.807 -13.136 -22.767 1.00 45.23 H new ATOM 0 HZ1 LYS A 18 21.118 -11.554 -24.387 1.00 64.41 H new ATOM 0 HZ2 LYS A 18 20.099 -12.903 -24.541 1.00 64.41 H new ATOM 0 HZ3 LYS A 18 19.536 -11.498 -23.773 1.00 64.41 H new ATOM 252 N ILE A 19 16.438 -15.488 -18.753 1.00 43.53 N ATOM 253 CA ILE A 19 16.429 -16.769 -18.057 1.00 3.31 C ATOM 254 C ILE A 19 15.337 -17.682 -18.603 1.00 34.54 C ATOM 255 O ILE A 19 14.229 -17.235 -18.899 1.00 42.30 O ATOM 256 CB ILE A 19 16.220 -16.584 -16.543 1.00 35.44 C ATOM 257 CG1 ILE A 19 17.329 -15.708 -15.955 1.00 54.43 C ATOM 258 CG2 ILE A 19 16.180 -17.936 -15.844 1.00 43.35 C ATOM 259 CD1 ILE A 19 16.827 -14.685 -14.961 1.00 40.32 C ATOM 0 H ILE A 19 16.411 -14.674 -18.139 1.00 43.53 H new ATOM 0 HA ILE A 19 17.402 -17.229 -18.227 1.00 3.31 H new ATOM 0 HB ILE A 19 15.265 -16.085 -16.382 1.00 35.44 H new ATOM 0 HG12 ILE A 19 18.065 -16.347 -15.467 1.00 54.43 H new ATOM 0 HG13 ILE A 19 17.843 -15.193 -16.767 1.00 54.43 H new ATOM 0 HG21 ILE A 19 16.032 -17.788 -14.774 1.00 43.35 H new ATOM 0 HG22 ILE A 19 15.358 -18.529 -16.246 1.00 43.35 H new ATOM 0 HG23 ILE A 19 17.121 -18.460 -16.011 1.00 43.35 H new ATOM 0 HD11 ILE A 19 17.667 -14.100 -14.585 1.00 40.32 H new ATOM 0 HD12 ILE A 19 16.113 -14.022 -15.450 1.00 40.32 H new ATOM 0 HD13 ILE A 19 16.339 -15.194 -14.130 1.00 40.32 H new ATOM 271 N ARG A 20 15.656 -18.966 -18.730 1.00 31.25 N ATOM 272 CA ARG A 20 14.702 -19.944 -19.239 1.00 11.11 C ATOM 273 C ARG A 20 14.067 -20.731 -18.095 1.00 11.44 C ATOM 274 O ARG A 20 14.595 -20.763 -16.982 1.00 40.43 O ATOM 275 CB ARG A 20 15.392 -20.904 -20.211 1.00 33.14 C ATOM 276 CG ARG A 20 16.664 -21.521 -19.655 1.00 45.14 C ATOM 277 CD ARG A 20 17.901 -20.793 -20.157 1.00 63.23 C ATOM 278 NE ARG A 20 19.100 -21.623 -20.065 1.00 64.03 N ATOM 279 CZ ARG A 20 19.390 -22.594 -20.924 1.00 34.12 C ATOM 280 NH1 ARG A 20 18.572 -22.855 -21.935 1.00 23.25 N1+ ATOM 281 NH2 ARG A 20 20.500 -23.305 -20.774 1.00 11.13 N ATOM 0 H ARG A 20 16.568 -19.353 -18.487 1.00 31.25 H new ATOM 0 HA ARG A 20 13.915 -19.406 -19.768 1.00 11.11 H new ATOM 0 HB2 ARG A 20 14.697 -21.701 -20.476 1.00 33.14 H new ATOM 0 HB3 ARG A 20 15.629 -20.369 -21.130 1.00 33.14 H new ATOM 0 HG2 ARG A 20 16.639 -21.490 -18.566 1.00 45.14 H new ATOM 0 HG3 ARG A 20 16.716 -22.571 -19.943 1.00 45.14 H new ATOM 0 HD2 ARG A 20 17.748 -20.491 -21.193 1.00 63.23 H new ATOM 0 HD3 ARG A 20 18.046 -19.882 -19.577 1.00 63.23 H new ATOM 0 HE ARG A 20 19.750 -21.447 -19.299 1.00 64.03 H new ATOM 0 HH11 ARG A 20 17.718 -22.310 -22.054 1.00 23.25 H new ATOM 0 HH12 ARG A 20 18.797 -23.601 -22.593 1.00 23.25 H new ATOM 0 HH21 ARG A 20 21.132 -23.106 -19.998 1.00 11.13 H new ATOM 0 HH22 ARG A 20 20.721 -24.050 -21.434 1.00 11.13 H new ATOM 295 N LEU A 21 12.932 -21.361 -18.376 1.00 24.44 N ATOM 296 CA LEU A 21 12.225 -22.147 -17.371 1.00 52.20 C ATOM 297 C LEU A 21 12.950 -23.461 -17.097 1.00 51.01 C ATOM 298 O LEU A 21 13.220 -23.804 -15.947 1.00 1.14 O ATOM 299 CB LEU A 21 10.793 -22.427 -17.830 1.00 33.32 C ATOM 300 CG LEU A 21 9.909 -21.202 -18.058 1.00 11.34 C ATOM 301 CD1 LEU A 21 8.626 -21.594 -18.774 1.00 2.40 C ATOM 302 CD2 LEU A 21 9.595 -20.517 -16.736 1.00 13.25 C ATOM 0 H LEU A 21 12.482 -21.343 -19.291 1.00 24.44 H new ATOM 0 HA LEU A 21 12.198 -21.570 -16.447 1.00 52.20 H new ATOM 0 HB2 LEU A 21 10.835 -22.997 -18.758 1.00 33.32 H new ATOM 0 HB3 LEU A 21 10.313 -23.063 -17.087 1.00 33.32 H new ATOM 0 HG LEU A 21 10.453 -20.499 -18.689 1.00 11.34 H new ATOM 0 HD11 LEU A 21 8.010 -20.708 -18.927 1.00 2.40 H new ATOM 0 HD12 LEU A 21 8.869 -22.038 -19.739 1.00 2.40 H new ATOM 0 HD13 LEU A 21 8.078 -22.317 -18.169 1.00 2.40 H new ATOM 0 HD21 LEU A 21 8.964 -19.647 -16.918 1.00 13.25 H new ATOM 0 HD22 LEU A 21 9.072 -21.213 -16.081 1.00 13.25 H new ATOM 0 HD23 LEU A 21 10.523 -20.200 -16.261 1.00 13.25 H new ATOM 314 N ARG A 22 13.264 -24.190 -18.163 1.00 33.52 N ATOM 315 CA ARG A 22 13.959 -25.466 -18.038 1.00 11.34 C ATOM 316 C ARG A 22 15.346 -25.393 -18.669 1.00 74.14 C ATOM 317 O ARG A 22 15.633 -24.530 -19.499 1.00 33.45 O ATOM 318 CB ARG A 22 13.144 -26.582 -18.696 1.00 4.24 C ATOM 319 CG ARG A 22 12.292 -27.372 -17.717 1.00 31.34 C ATOM 320 CD ARG A 22 10.906 -26.765 -17.567 1.00 51.43 C ATOM 321 NE ARG A 22 10.000 -27.204 -18.625 1.00 43.44 N ATOM 322 CZ ARG A 22 8.705 -26.907 -18.654 1.00 33.31 C ATOM 323 NH1 ARG A 22 8.168 -26.175 -17.688 1.00 45.10 N1+ ATOM 324 NH2 ARG A 22 7.945 -27.344 -19.651 1.00 25.03 N ATOM 0 H ARG A 22 13.048 -23.919 -19.122 1.00 33.52 H new ATOM 0 HA ARG A 22 14.073 -25.687 -16.977 1.00 11.34 H new ATOM 0 HB2 ARG A 22 12.498 -26.147 -19.458 1.00 4.24 H new ATOM 0 HB3 ARG A 22 13.824 -27.265 -19.206 1.00 4.24 H new ATOM 0 HG2 ARG A 22 12.203 -28.403 -18.060 1.00 31.34 H new ATOM 0 HG3 ARG A 22 12.785 -27.401 -16.745 1.00 31.34 H new ATOM 0 HD2 ARG A 22 10.492 -27.041 -16.597 1.00 51.43 H new ATOM 0 HD3 ARG A 22 10.982 -25.678 -17.583 1.00 51.43 H new ATOM 0 HE ARG A 22 10.382 -27.769 -19.383 1.00 43.44 H new ATOM 0 HH11 ARG A 22 8.749 -25.838 -16.920 1.00 45.10 H new ATOM 0 HH12 ARG A 22 7.174 -25.948 -17.713 1.00 45.10 H new ATOM 0 HH21 ARG A 22 8.355 -27.908 -20.395 1.00 25.03 H new ATOM 0 HH22 ARG A 22 6.951 -27.116 -19.673 1.00 25.03 H new ATOM 338 N PRO A 23 16.228 -26.321 -18.267 1.00 51.33 N ATOM 339 CA PRO A 23 17.599 -26.384 -18.782 1.00 23.11 C ATOM 340 C PRO A 23 17.652 -26.824 -20.241 1.00 2.22 C ATOM 341 O PRO A 23 18.518 -26.389 -20.999 1.00 64.04 O ATOM 342 CB PRO A 23 18.268 -27.428 -17.884 1.00 35.50 C ATOM 343 CG PRO A 23 17.148 -28.286 -17.404 1.00 63.13 C ATOM 344 CD PRO A 23 15.955 -27.380 -17.282 1.00 12.31 C ATOM 0 HA PRO A 23 18.086 -25.409 -18.762 1.00 23.11 H new ATOM 0 HB2 PRO A 23 19.005 -28.011 -18.436 1.00 35.50 H new ATOM 0 HB3 PRO A 23 18.792 -26.958 -17.052 1.00 35.50 H new ATOM 0 HG2 PRO A 23 16.951 -29.098 -18.104 1.00 63.13 H new ATOM 0 HG3 PRO A 23 17.390 -28.743 -16.445 1.00 63.13 H new ATOM 0 HD2 PRO A 23 15.027 -27.906 -17.505 1.00 12.31 H new ATOM 0 HD3 PRO A 23 15.859 -26.976 -16.274 1.00 12.31 H new ATOM 352 N GLY A 24 16.719 -27.688 -20.628 1.00 4.40 N ATOM 353 CA GLY A 24 16.678 -28.171 -21.995 1.00 73.02 C ATOM 354 C GLY A 24 15.478 -27.648 -22.759 1.00 3.42 C ATOM 355 O GLY A 24 15.087 -28.214 -23.780 1.00 33.45 O ATOM 0 H GLY A 24 15.991 -28.062 -20.019 1.00 4.40 H new ATOM 0 HA2 GLY A 24 17.591 -27.872 -22.510 1.00 73.02 H new ATOM 0 HA3 GLY A 24 16.656 -29.261 -21.992 1.00 73.02 H new ATOM 359 N GLY A 25 14.891 -26.562 -22.265 1.00 20.33 N ATOM 360 CA GLY A 25 13.734 -25.980 -22.920 1.00 71.53 C ATOM 361 C GLY A 25 14.055 -24.668 -23.606 1.00 14.31 C ATOM 362 O GLY A 25 15.184 -24.182 -23.537 1.00 54.22 O ATOM 0 H GLY A 25 15.196 -26.075 -21.423 1.00 20.33 H new ATOM 0 HA2 GLY A 25 13.344 -26.684 -23.655 1.00 71.53 H new ATOM 0 HA3 GLY A 25 12.947 -25.818 -22.184 1.00 71.53 H new ATOM 366 N LYS A 26 13.059 -24.092 -24.272 1.00 5.01 N ATOM 367 CA LYS A 26 13.240 -22.827 -24.975 1.00 74.24 C ATOM 368 C LYS A 26 12.366 -21.736 -24.366 1.00 35.11 C ATOM 369 O LYS A 26 12.680 -20.550 -24.459 1.00 50.51 O ATOM 370 CB LYS A 26 12.906 -22.994 -26.459 1.00 2.30 C ATOM 371 CG LYS A 26 14.007 -23.669 -27.259 1.00 34.03 C ATOM 372 CD LYS A 26 13.497 -24.164 -28.602 1.00 62.44 C ATOM 373 CE LYS A 26 14.637 -24.380 -29.585 1.00 54.13 C ATOM 374 NZ LYS A 26 14.883 -23.175 -30.425 1.00 34.30 N1+ ATOM 0 H LYS A 26 12.119 -24.481 -24.340 1.00 5.01 H new ATOM 0 HA LYS A 26 14.284 -22.529 -24.874 1.00 74.24 H new ATOM 0 HB2 LYS A 26 11.990 -23.578 -26.553 1.00 2.30 H new ATOM 0 HB3 LYS A 26 12.705 -22.013 -26.890 1.00 2.30 H new ATOM 0 HG2 LYS A 26 14.826 -22.967 -27.416 1.00 34.03 H new ATOM 0 HG3 LYS A 26 14.410 -24.507 -26.690 1.00 34.03 H new ATOM 0 HD2 LYS A 26 12.952 -25.098 -28.464 1.00 62.44 H new ATOM 0 HD3 LYS A 26 12.792 -23.442 -29.014 1.00 62.44 H new ATOM 0 HE2 LYS A 26 15.545 -24.632 -29.038 1.00 54.13 H new ATOM 0 HE3 LYS A 26 14.406 -25.229 -30.228 1.00 54.13 H new ATOM 0 HZ1 LYS A 26 15.667 -23.364 -31.081 1.00 34.30 H new ATOM 0 HZ2 LYS A 26 14.025 -22.949 -30.967 1.00 34.30 H new ATOM 0 HZ3 LYS A 26 15.129 -22.370 -29.814 1.00 34.30 H new ATOM 388 N LYS A 27 11.268 -22.145 -23.739 1.00 53.25 N ATOM 389 CA LYS A 27 10.349 -21.203 -23.111 1.00 41.04 C ATOM 390 C LYS A 27 11.081 -20.313 -22.112 1.00 53.43 C ATOM 391 O LYS A 27 11.520 -20.777 -21.059 1.00 54.43 O ATOM 392 CB LYS A 27 9.218 -21.956 -22.407 1.00 13.32 C ATOM 393 CG LYS A 27 8.303 -22.710 -23.358 1.00 3.41 C ATOM 394 CD LYS A 27 7.041 -23.185 -22.659 1.00 0.33 C ATOM 395 CE LYS A 27 5.843 -22.321 -23.023 1.00 61.33 C ATOM 396 NZ LYS A 27 4.570 -23.092 -22.976 1.00 42.41 N1+ ATOM 0 H LYS A 27 10.993 -23.123 -23.652 1.00 53.25 H new ATOM 0 HA LYS A 27 9.926 -20.571 -23.891 1.00 41.04 H new ATOM 0 HB2 LYS A 27 9.650 -22.661 -21.696 1.00 13.32 H new ATOM 0 HB3 LYS A 27 8.624 -21.246 -21.831 1.00 13.32 H new ATOM 0 HG2 LYS A 27 8.035 -22.065 -24.195 1.00 3.41 H new ATOM 0 HG3 LYS A 27 8.834 -23.566 -23.773 1.00 3.41 H new ATOM 0 HD2 LYS A 27 6.840 -24.221 -22.932 1.00 0.33 H new ATOM 0 HD3 LYS A 27 7.192 -23.164 -21.580 1.00 0.33 H new ATOM 0 HE2 LYS A 27 5.782 -21.477 -22.336 1.00 61.33 H new ATOM 0 HE3 LYS A 27 5.982 -21.910 -24.023 1.00 61.33 H new ATOM 0 HZ1 LYS A 27 3.777 -22.469 -23.230 1.00 42.41 H new ATOM 0 HZ2 LYS A 27 4.618 -23.883 -23.649 1.00 42.41 H new ATOM 0 HZ3 LYS A 27 4.424 -23.463 -22.016 1.00 42.41 H new ATOM 410 N GLN A 28 11.207 -19.034 -22.449 1.00 24.44 N ATOM 411 CA GLN A 28 11.885 -18.079 -21.579 1.00 62.42 C ATOM 412 C GLN A 28 10.962 -17.610 -20.460 1.00 34.04 C ATOM 413 O GLN A 28 9.789 -17.984 -20.412 1.00 31.43 O ATOM 414 CB GLN A 28 12.375 -16.878 -22.390 1.00 20.12 C ATOM 415 CG GLN A 28 13.060 -17.261 -23.692 1.00 51.41 C ATOM 416 CD GLN A 28 13.745 -16.085 -24.359 1.00 22.55 C ATOM 417 OE1 GLN A 28 13.207 -15.482 -25.287 1.00 1.54 O ATOM 418 NE2 GLN A 28 14.941 -15.752 -23.887 1.00 61.24 N ATOM 0 H GLN A 28 10.849 -18.635 -23.317 1.00 24.44 H new ATOM 0 HA GLN A 28 12.743 -18.580 -21.130 1.00 62.42 H new ATOM 0 HB2 GLN A 28 11.527 -16.230 -22.612 1.00 20.12 H new ATOM 0 HB3 GLN A 28 13.069 -16.298 -21.781 1.00 20.12 H new ATOM 0 HG2 GLN A 28 13.795 -18.041 -23.495 1.00 51.41 H new ATOM 0 HG3 GLN A 28 12.323 -17.683 -24.375 1.00 51.41 H new ATOM 0 HE21 GLN A 28 15.350 -16.280 -23.116 1.00 61.24 H new ATOM 0 HE22 GLN A 28 15.451 -14.969 -24.296 1.00 61.24 H new ATOM 427 N TYR A 29 11.497 -16.791 -19.563 1.00 21.32 N ATOM 428 CA TYR A 29 10.721 -16.273 -18.442 1.00 24.13 C ATOM 429 C TYR A 29 9.972 -15.005 -18.839 1.00 33.24 C ATOM 430 O TYR A 29 10.398 -14.269 -19.729 1.00 53.42 O ATOM 431 CB TYR A 29 11.636 -15.986 -17.249 1.00 43.53 C ATOM 432 CG TYR A 29 11.615 -17.070 -16.195 1.00 2.51 C ATOM 433 CD1 TYR A 29 10.596 -17.127 -15.252 1.00 73.01 C ATOM 434 CD2 TYR A 29 12.613 -18.033 -16.141 1.00 35.23 C ATOM 435 CE1 TYR A 29 10.572 -18.115 -14.287 1.00 12.14 C ATOM 436 CE2 TYR A 29 12.597 -19.025 -15.179 1.00 54.03 C ATOM 437 CZ TYR A 29 11.574 -19.061 -14.255 1.00 34.32 C ATOM 438 OH TYR A 29 11.555 -20.047 -13.295 1.00 33.12 O ATOM 0 H TYR A 29 12.465 -16.471 -19.590 1.00 21.32 H new ATOM 0 HA TYR A 29 9.991 -17.031 -18.157 1.00 24.13 H new ATOM 0 HB2 TYR A 29 12.658 -15.859 -17.608 1.00 43.53 H new ATOM 0 HB3 TYR A 29 11.339 -15.042 -16.793 1.00 43.53 H new ATOM 0 HD1 TYR A 29 9.810 -16.387 -15.274 1.00 73.01 H new ATOM 0 HD2 TYR A 29 13.416 -18.007 -16.863 1.00 35.23 H new ATOM 0 HE1 TYR A 29 9.773 -18.146 -13.562 1.00 12.14 H new ATOM 0 HE2 TYR A 29 13.381 -19.767 -15.151 1.00 54.03 H new ATOM 0 HH TYR A 29 12.219 -20.733 -13.517 1.00 33.12 H new ATOM 448 N LYS A 30 8.851 -14.754 -18.169 1.00 44.13 N ATOM 449 CA LYS A 30 8.040 -13.575 -18.448 1.00 10.50 C ATOM 450 C LYS A 30 7.241 -13.160 -17.217 1.00 61.51 C ATOM 451 O LYS A 30 7.187 -13.889 -16.225 1.00 22.34 O ATOM 452 CB LYS A 30 7.091 -13.848 -19.617 1.00 11.21 C ATOM 453 CG LYS A 30 7.041 -12.722 -20.636 1.00 74.10 C ATOM 454 CD LYS A 30 6.108 -13.055 -21.788 1.00 62.21 C ATOM 455 CE LYS A 30 6.872 -13.607 -22.982 1.00 32.30 C ATOM 456 NZ LYS A 30 6.052 -14.572 -23.766 1.00 64.12 N1+ ATOM 0 H LYS A 30 8.484 -15.352 -17.429 1.00 44.13 H new ATOM 0 HA LYS A 30 8.711 -12.759 -18.716 1.00 10.50 H new ATOM 0 HB2 LYS A 30 7.399 -14.766 -20.117 1.00 11.21 H new ATOM 0 HB3 LYS A 30 6.088 -14.019 -19.227 1.00 11.21 H new ATOM 0 HG2 LYS A 30 6.708 -11.805 -20.150 1.00 74.10 H new ATOM 0 HG3 LYS A 30 8.043 -12.533 -21.021 1.00 74.10 H new ATOM 0 HD2 LYS A 30 5.368 -13.785 -21.459 1.00 62.21 H new ATOM 0 HD3 LYS A 30 5.562 -12.160 -22.086 1.00 62.21 H new ATOM 0 HE2 LYS A 30 7.181 -12.785 -23.627 1.00 32.30 H new ATOM 0 HE3 LYS A 30 7.781 -14.100 -22.636 1.00 32.30 H new ATOM 0 HZ1 LYS A 30 6.607 -14.926 -24.571 1.00 64.12 H new ATOM 0 HZ2 LYS A 30 5.778 -15.369 -23.157 1.00 64.12 H new ATOM 0 HZ3 LYS A 30 5.197 -14.095 -24.118 1.00 64.12 H new ATOM 470 N LEU A 31 6.621 -11.988 -17.287 1.00 24.23 N ATOM 471 CA LEU A 31 5.823 -11.477 -16.178 1.00 25.44 C ATOM 472 C LEU A 31 4.754 -12.483 -15.767 1.00 33.41 C ATOM 473 O LEU A 31 4.318 -12.508 -14.615 1.00 40.33 O ATOM 474 CB LEU A 31 5.169 -10.149 -16.563 1.00 24.22 C ATOM 475 CG LEU A 31 5.618 -8.923 -15.765 1.00 55.22 C ATOM 476 CD1 LEU A 31 7.041 -8.536 -16.134 1.00 71.33 C ATOM 477 CD2 LEU A 31 4.669 -7.757 -16.001 1.00 15.41 C ATOM 0 H LEU A 31 6.655 -11.373 -18.100 1.00 24.23 H new ATOM 0 HA LEU A 31 6.488 -11.315 -15.330 1.00 25.44 H new ATOM 0 HB2 LEU A 31 5.366 -9.963 -17.619 1.00 24.22 H new ATOM 0 HB3 LEU A 31 4.090 -10.253 -16.454 1.00 24.22 H new ATOM 0 HG LEU A 31 5.596 -9.176 -14.705 1.00 55.22 H new ATOM 0 HD11 LEU A 31 7.342 -7.662 -15.556 1.00 71.33 H new ATOM 0 HD12 LEU A 31 7.713 -9.366 -15.914 1.00 71.33 H new ATOM 0 HD13 LEU A 31 7.090 -8.302 -17.197 1.00 71.33 H new ATOM 0 HD21 LEU A 31 5.003 -6.894 -15.426 1.00 15.41 H new ATOM 0 HD22 LEU A 31 4.659 -7.505 -17.061 1.00 15.41 H new ATOM 0 HD23 LEU A 31 3.664 -8.036 -15.685 1.00 15.41 H new ATOM 489 N LYS A 32 4.335 -13.314 -16.716 1.00 64.52 N ATOM 490 CA LYS A 32 3.319 -14.326 -16.454 1.00 61.21 C ATOM 491 C LYS A 32 3.689 -15.165 -15.235 1.00 73.21 C ATOM 492 O LYS A 32 2.814 -15.658 -14.521 1.00 24.32 O ATOM 493 CB LYS A 32 3.145 -15.231 -17.675 1.00 52.43 C ATOM 494 CG LYS A 32 2.343 -14.592 -18.796 1.00 43.12 C ATOM 495 CD LYS A 32 1.340 -15.567 -19.390 1.00 72.30 C ATOM 496 CE LYS A 32 1.988 -16.473 -20.425 1.00 42.54 C ATOM 497 NZ LYS A 32 0.978 -17.259 -21.186 1.00 21.14 N1+ ATOM 0 H LYS A 32 4.684 -13.306 -17.674 1.00 64.52 H new ATOM 0 HA LYS A 32 2.378 -13.816 -16.250 1.00 61.21 H new ATOM 0 HB2 LYS A 32 4.128 -15.507 -18.055 1.00 52.43 H new ATOM 0 HB3 LYS A 32 2.652 -16.153 -17.366 1.00 52.43 H new ATOM 0 HG2 LYS A 32 1.818 -13.716 -18.415 1.00 43.12 H new ATOM 0 HG3 LYS A 32 3.020 -14.244 -19.576 1.00 43.12 H new ATOM 0 HD2 LYS A 32 0.906 -16.173 -18.595 1.00 72.30 H new ATOM 0 HD3 LYS A 32 0.522 -15.013 -19.851 1.00 72.30 H new ATOM 0 HE2 LYS A 32 2.576 -15.871 -21.117 1.00 42.54 H new ATOM 0 HE3 LYS A 32 2.679 -17.154 -19.929 1.00 42.54 H new ATOM 0 HZ1 LYS A 32 1.461 -17.864 -21.881 1.00 21.14 H new ATOM 0 HZ2 LYS A 32 0.434 -17.853 -20.529 1.00 21.14 H new ATOM 0 HZ3 LYS A 32 0.333 -16.610 -21.680 1.00 21.14 H new ATOM 511 N HIS A 33 4.988 -15.322 -15.002 1.00 15.03 N ATOM 512 CA HIS A 33 5.473 -16.100 -13.867 1.00 21.33 C ATOM 513 C HIS A 33 5.569 -15.231 -12.615 1.00 72.35 C ATOM 514 O HIS A 33 5.361 -15.777 -11.531 1.00 54.34 O ATOM 515 CB HIS A 33 6.839 -16.710 -14.185 1.00 5.35 C ATOM 516 CG HIS A 33 6.900 -17.374 -15.525 1.00 50.24 C ATOM 517 ND1 HIS A 33 7.722 -16.940 -16.544 1.00 73.40 N ATOM 518 CD2 HIS A 33 6.236 -18.448 -16.012 1.00 62.41 C ATOM 519 CE1 HIS A 33 7.560 -17.719 -17.599 1.00 21.33 C ATOM 520 NE2 HIS A 33 6.664 -18.643 -17.301 1.00 54.41 N ATOM 0 H HIS A 33 5.724 -14.921 -15.584 1.00 15.03 H new ATOM 0 HA HIS A 33 4.761 -16.903 -13.678 1.00 21.33 H new ATOM 0 HB2 HIS A 33 7.596 -15.927 -14.142 1.00 5.35 H new ATOM 0 HB3 HIS A 33 7.090 -17.440 -13.415 1.00 5.35 H new ATOM 0 HD2 HIS A 33 5.505 -19.042 -15.484 1.00 62.41 H new ATOM 0 HE1 HIS A 33 8.073 -17.618 -18.544 1.00 21.33 H new ATOM 0 HE2 HIS A 33 6.343 -19.381 -17.927 1.00 54.41 H new ATOM 528 N ILE A 34 5.868 -13.943 -12.732 1.00 23.45 N ATOM 529 CA ILE A 34 5.971 -13.075 -11.565 1.00 15.21 C ATOM 530 C ILE A 34 4.592 -12.755 -10.996 1.00 33.04 C ATOM 531 O ILE A 34 4.415 -12.674 -9.780 1.00 12.45 O ATOM 532 CB ILE A 34 6.691 -11.756 -11.905 1.00 60.34 C ATOM 533 CG1 ILE A 34 8.090 -12.043 -12.453 1.00 3.04 C ATOM 534 CG2 ILE A 34 6.770 -10.864 -10.676 1.00 24.15 C ATOM 535 CD1 ILE A 34 8.700 -10.873 -13.194 1.00 74.11 C ATOM 0 H ILE A 34 6.043 -13.477 -13.622 1.00 23.45 H new ATOM 0 HA ILE A 34 6.554 -13.616 -10.820 1.00 15.21 H new ATOM 0 HB ILE A 34 6.120 -11.233 -12.672 1.00 60.34 H new ATOM 0 HG12 ILE A 34 8.745 -12.321 -11.627 1.00 3.04 H new ATOM 0 HG13 ILE A 34 8.040 -12.901 -13.123 1.00 3.04 H new ATOM 0 HG21 ILE A 34 7.281 -9.936 -10.932 1.00 24.15 H new ATOM 0 HG22 ILE A 34 5.763 -10.638 -10.325 1.00 24.15 H new ATOM 0 HG23 ILE A 34 7.322 -11.377 -9.889 1.00 24.15 H new ATOM 0 HD11 ILE A 34 9.691 -11.148 -13.555 1.00 74.11 H new ATOM 0 HD12 ILE A 34 8.066 -10.608 -14.040 1.00 74.11 H new ATOM 0 HD13 ILE A 34 8.782 -10.019 -12.521 1.00 74.11 H new ATOM 547 N VAL A 35 3.619 -12.576 -11.882 1.00 51.42 N ATOM 548 CA VAL A 35 2.255 -12.268 -11.469 1.00 20.04 C ATOM 549 C VAL A 35 1.558 -13.503 -10.909 1.00 71.05 C ATOM 550 O VAL A 35 0.854 -13.429 -9.902 1.00 54.11 O ATOM 551 CB VAL A 35 1.424 -11.710 -12.640 1.00 65.43 C ATOM 552 CG1 VAL A 35 -0.001 -11.424 -12.197 1.00 13.14 C ATOM 553 CG2 VAL A 35 2.078 -10.458 -13.206 1.00 70.21 C ATOM 0 H VAL A 35 3.750 -12.639 -12.892 1.00 51.42 H new ATOM 0 HA VAL A 35 2.325 -11.509 -10.690 1.00 20.04 H new ATOM 0 HB VAL A 35 1.388 -12.462 -13.428 1.00 65.43 H new ATOM 0 HG11 VAL A 35 -0.572 -11.031 -13.038 1.00 13.14 H new ATOM 0 HG12 VAL A 35 -0.464 -12.345 -11.844 1.00 13.14 H new ATOM 0 HG13 VAL A 35 0.009 -10.691 -11.391 1.00 13.14 H new ATOM 0 HG21 VAL A 35 1.479 -10.076 -14.032 1.00 70.21 H new ATOM 0 HG22 VAL A 35 2.146 -9.699 -12.427 1.00 70.21 H new ATOM 0 HG23 VAL A 35 3.078 -10.701 -13.565 1.00 70.21 H new ATOM 563 N TRP A 36 1.759 -14.638 -11.570 1.00 34.43 N ATOM 564 CA TRP A 36 1.149 -15.891 -11.138 1.00 62.21 C ATOM 565 C TRP A 36 1.572 -16.240 -9.715 1.00 60.13 C ATOM 566 O TRP A 36 0.748 -16.645 -8.895 1.00 3.40 O ATOM 567 CB TRP A 36 1.535 -17.024 -12.090 1.00 64.25 C ATOM 568 CG TRP A 36 1.019 -18.364 -11.660 1.00 3.21 C ATOM 569 CD1 TRP A 36 -0.248 -18.845 -11.824 1.00 61.43 C ATOM 570 CD2 TRP A 36 1.758 -19.393 -10.992 1.00 43.41 C ATOM 571 NE1 TRP A 36 -0.342 -20.112 -11.299 1.00 50.10 N ATOM 572 CE2 TRP A 36 0.876 -20.471 -10.784 1.00 13.22 C ATOM 573 CE3 TRP A 36 3.080 -19.510 -10.553 1.00 0.21 C ATOM 574 CZ2 TRP A 36 1.273 -21.647 -10.153 1.00 43.30 C ATOM 575 CZ3 TRP A 36 3.472 -20.678 -9.928 1.00 24.44 C ATOM 576 CH2 TRP A 36 2.573 -21.733 -9.733 1.00 71.23 C ATOM 0 H TRP A 36 2.339 -14.716 -12.406 1.00 34.43 H new ATOM 0 HA TRP A 36 0.067 -15.764 -11.155 1.00 62.21 H new ATOM 0 HB2 TRP A 36 1.153 -16.798 -13.086 1.00 64.25 H new ATOM 0 HB3 TRP A 36 2.621 -17.069 -12.168 1.00 64.25 H new ATOM 0 HD1 TRP A 36 -1.058 -18.309 -12.297 1.00 61.43 H new ATOM 0 HE1 TRP A 36 -1.182 -20.691 -11.294 1.00 50.10 H new ATOM 0 HE3 TRP A 36 3.782 -18.702 -10.700 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 0.581 -22.462 -10.000 1.00 43.30 H new ATOM 0 HZ3 TRP A 36 4.491 -20.779 -9.584 1.00 24.44 H new ATOM 0 HH2 TRP A 36 2.912 -22.633 -9.241 1.00 71.23 H new ATOM 587 N ALA A 37 2.860 -16.082 -9.429 1.00 10.33 N ATOM 588 CA ALA A 37 3.390 -16.378 -8.104 1.00 3.41 C ATOM 589 C ALA A 37 2.867 -15.387 -7.069 1.00 33.11 C ATOM 590 O ALA A 37 2.799 -15.697 -5.880 1.00 14.24 O ATOM 591 CB ALA A 37 4.911 -16.364 -8.128 1.00 44.43 C ATOM 0 H ALA A 37 3.556 -15.751 -10.097 1.00 10.33 H new ATOM 0 HA ALA A 37 3.051 -17.374 -7.819 1.00 3.41 H new ATOM 0 HB1 ALA A 37 5.293 -16.587 -7.132 1.00 44.43 H new ATOM 0 HB2 ALA A 37 5.271 -17.116 -8.831 1.00 44.43 H new ATOM 0 HB3 ALA A 37 5.261 -15.380 -8.439 1.00 44.43 H new ATOM 597 N SER A 38 2.499 -14.197 -7.530 1.00 52.50 N ATOM 598 CA SER A 38 1.985 -13.159 -6.643 1.00 42.12 C ATOM 599 C SER A 38 0.598 -13.525 -6.124 1.00 44.11 C ATOM 600 O SER A 38 0.303 -13.362 -4.940 1.00 24.34 O ATOM 601 CB SER A 38 1.931 -11.815 -7.373 1.00 30.23 C ATOM 602 OG SER A 38 3.221 -11.414 -7.801 1.00 62.55 O ATOM 0 H SER A 38 2.547 -13.927 -8.512 1.00 52.50 H new ATOM 0 HA SER A 38 2.661 -13.075 -5.792 1.00 42.12 H new ATOM 0 HB2 SER A 38 1.267 -11.892 -8.234 1.00 30.23 H new ATOM 0 HB3 SER A 38 1.511 -11.056 -6.713 1.00 30.23 H new ATOM 0 HG SER A 38 3.428 -11.839 -8.660 1.00 62.55 H new ATOM 608 N ARG A 39 -0.249 -14.021 -7.019 1.00 54.13 N ATOM 609 CA ARG A 39 -1.606 -14.409 -6.653 1.00 61.24 C ATOM 610 C ARG A 39 -1.603 -15.712 -5.858 1.00 22.01 C ATOM 611 O ARG A 39 -2.507 -15.966 -5.063 1.00 20.32 O ATOM 612 CB ARG A 39 -2.470 -14.567 -7.906 1.00 44.12 C ATOM 613 CG ARG A 39 -3.628 -13.584 -7.975 1.00 62.31 C ATOM 614 CD ARG A 39 -3.323 -12.431 -8.919 1.00 34.43 C ATOM 615 NE ARG A 39 -4.538 -11.857 -9.491 1.00 32.51 N ATOM 616 CZ ARG A 39 -5.199 -12.401 -10.507 1.00 20.24 C ATOM 617 NH1 ARG A 39 -4.766 -13.525 -11.058 1.00 52.12 N1+ ATOM 618 NH2 ARG A 39 -6.297 -11.818 -10.972 1.00 41.22 N ATOM 0 H ARG A 39 -0.020 -14.164 -8.003 1.00 54.13 H new ATOM 0 HA ARG A 39 -2.026 -13.621 -6.027 1.00 61.24 H new ATOM 0 HB2 ARG A 39 -1.843 -14.439 -8.788 1.00 44.12 H new ATOM 0 HB3 ARG A 39 -2.864 -15.583 -7.940 1.00 44.12 H new ATOM 0 HG2 ARG A 39 -4.527 -14.102 -8.309 1.00 62.31 H new ATOM 0 HG3 ARG A 39 -3.836 -13.195 -6.978 1.00 62.31 H new ATOM 0 HD2 ARG A 39 -2.775 -11.657 -8.381 1.00 34.43 H new ATOM 0 HD3 ARG A 39 -2.675 -12.782 -9.722 1.00 34.43 H new ATOM 0 HE ARG A 39 -4.899 -10.992 -9.089 1.00 32.51 H new ATOM 0 HH11 ARG A 39 -3.923 -13.975 -10.702 1.00 52.12 H new ATOM 0 HH12 ARG A 39 -5.276 -13.940 -11.838 1.00 52.12 H new ATOM 0 HH21 ARG A 39 -6.633 -10.953 -10.549 1.00 41.22 H new ATOM 0 HH22 ARG A 39 -6.805 -12.235 -11.752 1.00 41.22 H new ATOM 632 N GLU A 40 -0.580 -16.532 -6.080 1.00 35.03 N ATOM 633 CA GLU A 40 -0.461 -17.808 -5.384 1.00 62.11 C ATOM 634 C GLU A 40 0.196 -17.624 -4.019 1.00 74.02 C ATOM 635 O GLU A 40 -0.022 -18.416 -3.100 1.00 41.44 O ATOM 636 CB GLU A 40 0.349 -18.798 -6.224 1.00 22.44 C ATOM 637 CG GLU A 40 0.057 -20.253 -5.898 1.00 71.25 C ATOM 638 CD GLU A 40 -1.262 -20.727 -6.478 1.00 70.12 C ATOM 639 OE1 GLU A 40 -1.386 -20.764 -7.720 1.00 44.23 O1- ATOM 640 OE2 GLU A 40 -2.170 -21.062 -5.689 1.00 32.42 O ATOM 0 H GLU A 40 0.177 -16.336 -6.735 1.00 35.03 H new ATOM 0 HA GLU A 40 -1.464 -18.206 -5.234 1.00 62.11 H new ATOM 0 HB2 GLU A 40 0.141 -18.622 -7.279 1.00 22.44 H new ATOM 0 HB3 GLU A 40 1.411 -18.606 -6.072 1.00 22.44 H new ATOM 0 HG2 GLU A 40 0.864 -20.877 -6.283 1.00 71.25 H new ATOM 0 HG3 GLU A 40 0.042 -20.383 -4.816 1.00 71.25 H new ATOM 647 N LEU A 41 1.001 -16.576 -3.893 1.00 63.15 N ATOM 648 CA LEU A 41 1.692 -16.287 -2.641 1.00 43.14 C ATOM 649 C LEU A 41 0.713 -15.796 -1.580 1.00 2.22 C ATOM 650 O LEU A 41 0.676 -16.321 -0.467 1.00 14.53 O ATOM 651 CB LEU A 41 2.784 -15.239 -2.868 1.00 75.31 C ATOM 652 CG LEU A 41 4.200 -15.779 -3.066 1.00 62.24 C ATOM 653 CD1 LEU A 41 5.174 -14.640 -3.328 1.00 61.53 C ATOM 654 CD2 LEU A 41 4.637 -16.590 -1.855 1.00 65.02 C ATOM 0 H LEU A 41 1.192 -15.911 -4.643 1.00 63.15 H new ATOM 0 HA LEU A 41 2.151 -17.210 -2.286 1.00 43.14 H new ATOM 0 HB2 LEU A 41 2.516 -14.648 -3.744 1.00 75.31 H new ATOM 0 HB3 LEU A 41 2.791 -14.560 -2.015 1.00 75.31 H new ATOM 0 HG LEU A 41 4.199 -16.436 -3.936 1.00 62.24 H new ATOM 0 HD11 LEU A 41 6.177 -15.044 -3.466 1.00 61.53 H new ATOM 0 HD12 LEU A 41 4.872 -14.102 -4.227 1.00 61.53 H new ATOM 0 HD13 LEU A 41 5.172 -13.957 -2.479 1.00 61.53 H new ATOM 0 HD21 LEU A 41 5.648 -16.966 -2.014 1.00 65.02 H new ATOM 0 HD22 LEU A 41 4.621 -15.957 -0.968 1.00 65.02 H new ATOM 0 HD23 LEU A 41 3.956 -17.429 -1.714 1.00 65.02 H new ATOM 666 N GLU A 42 -0.078 -14.788 -1.934 1.00 13.35 N ATOM 667 CA GLU A 42 -1.059 -14.228 -1.011 1.00 23.43 C ATOM 668 C GLU A 42 -1.992 -15.314 -0.482 1.00 64.31 C ATOM 669 O GLU A 42 -2.542 -15.195 0.613 1.00 10.50 O ATOM 670 CB GLU A 42 -1.875 -13.132 -1.701 1.00 64.32 C ATOM 671 CG GLU A 42 -3.059 -12.647 -0.882 1.00 70.45 C ATOM 672 CD GLU A 42 -4.361 -13.305 -1.294 1.00 41.20 C ATOM 673 OE1 GLU A 42 -4.655 -13.329 -2.508 1.00 74.12 O ATOM 674 OE2 GLU A 42 -5.087 -13.795 -0.404 1.00 10.24 O1- ATOM 0 H GLU A 42 -0.059 -14.343 -2.852 1.00 13.35 H new ATOM 0 HA GLU A 42 -0.520 -13.794 -0.169 1.00 23.43 H new ATOM 0 HB2 GLU A 42 -1.222 -12.286 -1.916 1.00 64.32 H new ATOM 0 HB3 GLU A 42 -2.236 -13.508 -2.658 1.00 64.32 H new ATOM 0 HG2 GLU A 42 -2.873 -12.847 0.173 1.00 70.45 H new ATOM 0 HG3 GLU A 42 -3.152 -11.566 -0.990 1.00 70.45 H new ATOM 681 N ARG A 43 -2.163 -16.372 -1.268 1.00 22.50 N ATOM 682 CA ARG A 43 -3.029 -17.479 -0.880 1.00 61.10 C ATOM 683 C ARG A 43 -2.419 -18.268 0.275 1.00 33.05 C ATOM 684 O ARG A 43 -3.135 -18.873 1.073 1.00 20.20 O ATOM 685 CB ARG A 43 -3.273 -18.405 -2.072 1.00 42.04 C ATOM 686 CG ARG A 43 -4.742 -18.575 -2.421 1.00 60.35 C ATOM 687 CD ARG A 43 -5.241 -17.442 -3.304 1.00 22.24 C ATOM 688 NE ARG A 43 -6.565 -16.977 -2.902 1.00 34.22 N ATOM 689 CZ ARG A 43 -7.198 -15.966 -3.487 1.00 15.14 C ATOM 690 NH1 ARG A 43 -6.629 -15.316 -4.493 1.00 74.50 N1+ ATOM 691 NH2 ARG A 43 -8.402 -15.602 -3.064 1.00 41.10 N ATOM 0 H ARG A 43 -1.714 -16.486 -2.177 1.00 22.50 H new ATOM 0 HA ARG A 43 -3.981 -17.064 -0.550 1.00 61.10 H new ATOM 0 HB2 ARG A 43 -2.745 -18.012 -2.941 1.00 42.04 H new ATOM 0 HB3 ARG A 43 -2.844 -19.383 -1.855 1.00 42.04 H new ATOM 0 HG2 ARG A 43 -4.888 -19.527 -2.932 1.00 60.35 H new ATOM 0 HG3 ARG A 43 -5.333 -18.611 -1.506 1.00 60.35 H new ATOM 0 HD2 ARG A 43 -4.537 -16.611 -3.260 1.00 22.24 H new ATOM 0 HD3 ARG A 43 -5.274 -17.778 -4.340 1.00 22.24 H new ATOM 0 HE ARG A 43 -7.030 -17.454 -2.130 1.00 34.22 H new ATOM 0 HH11 ARG A 43 -5.703 -15.592 -4.820 1.00 74.50 H new ATOM 0 HH12 ARG A 43 -7.117 -14.540 -4.940 1.00 74.50 H new ATOM 0 HH21 ARG A 43 -8.842 -16.099 -2.289 1.00 41.10 H new ATOM 0 HH22 ARG A 43 -8.887 -14.826 -3.514 1.00 41.10 H new ATOM 705 N PHE A 44 -1.093 -18.258 0.357 1.00 42.40 N ATOM 706 CA PHE A 44 -0.386 -18.974 1.413 1.00 52.44 C ATOM 707 C PHE A 44 -0.051 -18.041 2.572 1.00 13.54 C ATOM 708 O PHE A 44 0.928 -18.249 3.288 1.00 72.22 O ATOM 709 CB PHE A 44 0.896 -19.602 0.862 1.00 73.43 C ATOM 710 CG PHE A 44 0.648 -20.672 -0.163 1.00 0.33 C ATOM 711 CD1 PHE A 44 -0.109 -21.789 0.152 1.00 51.42 C ATOM 712 CD2 PHE A 44 1.170 -20.559 -1.441 1.00 30.02 C ATOM 713 CE1 PHE A 44 -0.339 -22.775 -0.789 1.00 25.52 C ATOM 714 CE2 PHE A 44 0.943 -21.542 -2.387 1.00 23.13 C ATOM 715 CZ PHE A 44 0.187 -22.651 -2.060 1.00 4.11 C ATOM 0 H PHE A 44 -0.486 -17.762 -0.295 1.00 42.40 H new ATOM 0 HA PHE A 44 -1.040 -19.764 1.783 1.00 52.44 H new ATOM 0 HB2 PHE A 44 1.512 -18.820 0.417 1.00 73.43 H new ATOM 0 HB3 PHE A 44 1.467 -20.027 1.688 1.00 73.43 H new ATOM 0 HD1 PHE A 44 -0.524 -21.890 1.144 1.00 51.42 H new ATOM 0 HD2 PHE A 44 1.761 -19.693 -1.702 1.00 30.02 H new ATOM 0 HE1 PHE A 44 -0.929 -23.642 -0.531 1.00 25.52 H new ATOM 0 HE2 PHE A 44 1.356 -21.443 -3.380 1.00 23.13 H new ATOM 0 HZ PHE A 44 0.008 -23.420 -2.797 1.00 4.11 H new ATOM 725 N ALA A 45 -0.871 -17.011 2.751 1.00 11.44 N ATOM 726 CA ALA A 45 -0.665 -16.046 3.824 1.00 43.32 C ATOM 727 C ALA A 45 0.644 -15.285 3.633 1.00 72.14 C ATOM 728 O ALA A 45 1.194 -14.728 4.583 1.00 11.32 O ATOM 729 CB ALA A 45 -0.678 -16.747 5.174 1.00 24.11 C ATOM 0 H ALA A 45 -1.685 -16.823 2.166 1.00 11.44 H new ATOM 0 HA ALA A 45 -1.482 -15.325 3.794 1.00 43.32 H new ATOM 0 HB1 ALA A 45 -0.523 -16.014 5.966 1.00 24.11 H new ATOM 0 HB2 ALA A 45 -1.639 -17.240 5.319 1.00 24.11 H new ATOM 0 HB3 ALA A 45 0.119 -17.490 5.206 1.00 24.11 H new ATOM 735 N VAL A 46 1.137 -15.266 2.398 1.00 31.12 N ATOM 736 CA VAL A 46 2.380 -14.573 2.083 1.00 62.34 C ATOM 737 C VAL A 46 2.145 -13.449 1.081 1.00 32.32 C ATOM 738 O VAL A 46 1.772 -13.694 -0.066 1.00 21.51 O ATOM 739 CB VAL A 46 3.434 -15.542 1.513 1.00 51.24 C ATOM 740 CG1 VAL A 46 4.708 -14.793 1.153 1.00 34.21 C ATOM 741 CG2 VAL A 46 3.723 -16.659 2.504 1.00 2.45 C ATOM 0 H VAL A 46 0.694 -15.722 1.600 1.00 31.12 H new ATOM 0 HA VAL A 46 2.752 -14.151 3.017 1.00 62.34 H new ATOM 0 HB VAL A 46 3.036 -15.991 0.603 1.00 51.24 H new ATOM 0 HG11 VAL A 46 5.441 -15.493 0.752 1.00 34.21 H new ATOM 0 HG12 VAL A 46 4.484 -14.034 0.404 1.00 34.21 H new ATOM 0 HG13 VAL A 46 5.113 -14.315 2.045 1.00 34.21 H new ATOM 0 HG21 VAL A 46 4.469 -17.334 2.084 1.00 2.45 H new ATOM 0 HG22 VAL A 46 4.101 -16.232 3.433 1.00 2.45 H new ATOM 0 HG23 VAL A 46 2.806 -17.213 2.706 1.00 2.45 H new ATOM 751 N ASN A 47 2.364 -12.215 1.522 1.00 11.12 N ATOM 752 CA ASN A 47 2.175 -11.051 0.664 1.00 51.03 C ATOM 753 C ASN A 47 3.116 -11.102 -0.536 1.00 54.31 C ATOM 754 O ASN A 47 4.254 -11.562 -0.445 1.00 2.40 O ATOM 755 CB ASN A 47 2.411 -9.763 1.456 1.00 51.33 C ATOM 756 CG ASN A 47 1.234 -9.408 2.344 1.00 4.11 C ATOM 757 OD1 ASN A 47 0.095 -9.331 1.883 1.00 33.01 O ATOM 758 ND2 ASN A 47 1.506 -9.187 3.625 1.00 33.01 N ATOM 0 H ASN A 47 2.673 -11.995 2.469 1.00 11.12 H new ATOM 0 HA ASN A 47 1.148 -11.062 0.300 1.00 51.03 H new ATOM 0 HB2 ASN A 47 3.305 -9.875 2.069 1.00 51.33 H new ATOM 0 HB3 ASN A 47 2.601 -8.943 0.763 1.00 51.33 H new ATOM 0 HD21 ASN A 47 0.755 -8.942 4.271 1.00 33.01 H new ATOM 0 HD22 ASN A 47 2.465 -9.262 3.963 1.00 33.01 H new ATOM 765 N PRO A 48 2.630 -10.618 -1.690 1.00 22.21 N ATOM 766 CA PRO A 48 3.411 -10.597 -2.930 1.00 14.13 C ATOM 767 C PRO A 48 4.556 -9.591 -2.877 1.00 23.12 C ATOM 768 O PRO A 48 5.448 -9.606 -3.724 1.00 1.31 O ATOM 769 CB PRO A 48 2.385 -10.183 -3.988 1.00 13.52 C ATOM 770 CG PRO A 48 1.349 -9.423 -3.233 1.00 10.51 C ATOM 771 CD PRO A 48 1.282 -10.055 -1.871 1.00 3.30 C ATOM 0 HA PRO A 48 3.886 -11.558 -3.129 1.00 14.13 H new ATOM 0 HB2 PRO A 48 2.842 -9.567 -4.763 1.00 13.52 H new ATOM 0 HB3 PRO A 48 1.955 -11.053 -4.484 1.00 13.52 H new ATOM 0 HG2 PRO A 48 1.614 -8.368 -3.161 1.00 10.51 H new ATOM 0 HG3 PRO A 48 0.383 -9.475 -3.735 1.00 10.51 H new ATOM 0 HD2 PRO A 48 1.045 -9.323 -1.099 1.00 3.30 H new ATOM 0 HD3 PRO A 48 0.514 -10.827 -1.824 1.00 3.30 H new ATOM 779 N GLY A 49 4.525 -8.718 -1.875 1.00 25.53 N ATOM 780 CA GLY A 49 5.566 -7.717 -1.729 1.00 70.42 C ATOM 781 C GLY A 49 6.917 -8.329 -1.409 1.00 12.21 C ATOM 782 O GLY A 49 7.951 -7.673 -1.544 1.00 50.43 O ATOM 0 H GLY A 49 3.797 -8.686 -1.161 1.00 25.53 H new ATOM 0 HA2 GLY A 49 5.641 -7.138 -2.650 1.00 70.42 H new ATOM 0 HA3 GLY A 49 5.289 -7.021 -0.937 1.00 70.42 H new ATOM 786 N LEU A 50 6.909 -9.586 -0.982 1.00 42.15 N ATOM 787 CA LEU A 50 8.143 -10.286 -0.641 1.00 35.45 C ATOM 788 C LEU A 50 8.914 -10.674 -1.897 1.00 61.40 C ATOM 789 O LEU A 50 10.133 -10.848 -1.861 1.00 64.25 O ATOM 790 CB LEU A 50 7.832 -11.535 0.187 1.00 13.13 C ATOM 791 CG LEU A 50 6.971 -11.317 1.432 1.00 21.13 C ATOM 792 CD1 LEU A 50 6.807 -12.619 2.202 1.00 4.34 C ATOM 793 CD2 LEU A 50 7.583 -10.244 2.322 1.00 52.30 C ATOM 0 H LEU A 50 6.062 -10.142 -0.863 1.00 42.15 H new ATOM 0 HA LEU A 50 8.763 -9.611 -0.051 1.00 35.45 H new ATOM 0 HB2 LEU A 50 7.329 -12.257 -0.456 1.00 13.13 H new ATOM 0 HB3 LEU A 50 8.775 -11.986 0.496 1.00 13.13 H new ATOM 0 HG LEU A 50 5.985 -10.979 1.114 1.00 21.13 H new ATOM 0 HD11 LEU A 50 6.192 -12.445 3.085 1.00 4.34 H new ATOM 0 HD12 LEU A 50 6.325 -13.361 1.565 1.00 4.34 H new ATOM 0 HD13 LEU A 50 7.786 -12.986 2.509 1.00 4.34 H new ATOM 0 HD21 LEU A 50 6.957 -10.102 3.203 1.00 52.30 H new ATOM 0 HD22 LEU A 50 8.581 -10.554 2.632 1.00 52.30 H new ATOM 0 HD23 LEU A 50 7.649 -9.307 1.769 1.00 52.30 H new ATOM 805 N LEU A 51 8.198 -10.807 -3.008 1.00 3.22 N ATOM 806 CA LEU A 51 8.817 -11.172 -4.278 1.00 52.20 C ATOM 807 C LEU A 51 9.827 -10.116 -4.716 1.00 32.22 C ATOM 808 O LEU A 51 10.761 -10.409 -5.462 1.00 54.20 O ATOM 809 CB LEU A 51 7.746 -11.347 -5.357 1.00 74.02 C ATOM 810 CG LEU A 51 6.823 -12.556 -5.195 1.00 50.32 C ATOM 811 CD1 LEU A 51 5.759 -12.563 -6.282 1.00 73.04 C ATOM 812 CD2 LEU A 51 7.626 -13.848 -5.225 1.00 64.10 C ATOM 0 H LEU A 51 7.189 -10.668 -3.055 1.00 3.22 H new ATOM 0 HA LEU A 51 9.344 -12.116 -4.139 1.00 52.20 H new ATOM 0 HB2 LEU A 51 7.132 -10.447 -5.381 1.00 74.02 H new ATOM 0 HB3 LEU A 51 8.242 -11.421 -6.325 1.00 74.02 H new ATOM 0 HG LEU A 51 6.326 -12.483 -4.228 1.00 50.32 H new ATOM 0 HD11 LEU A 51 5.111 -13.430 -6.151 1.00 73.04 H new ATOM 0 HD12 LEU A 51 5.164 -11.652 -6.215 1.00 73.04 H new ATOM 0 HD13 LEU A 51 6.238 -12.612 -7.260 1.00 73.04 H new ATOM 0 HD21 LEU A 51 6.953 -14.697 -5.108 1.00 64.10 H new ATOM 0 HD22 LEU A 51 8.150 -13.928 -6.177 1.00 64.10 H new ATOM 0 HD23 LEU A 51 8.351 -13.845 -4.411 1.00 64.10 H new ATOM 824 N GLU A 52 9.634 -8.888 -4.244 1.00 23.31 N ATOM 825 CA GLU A 52 10.530 -7.790 -4.586 1.00 21.15 C ATOM 826 C GLU A 52 11.524 -7.528 -3.458 1.00 42.32 C ATOM 827 O GLU A 52 12.039 -6.418 -3.313 1.00 74.23 O ATOM 828 CB GLU A 52 9.728 -6.520 -4.879 1.00 20.01 C ATOM 829 CG GLU A 52 8.963 -5.993 -3.677 1.00 4.33 C ATOM 830 CD GLU A 52 8.588 -4.530 -3.821 1.00 62.41 C ATOM 831 OE1 GLU A 52 9.325 -3.792 -4.508 1.00 70.24 O1- ATOM 832 OE2 GLU A 52 7.557 -4.123 -3.246 1.00 32.41 O ATOM 0 H GLU A 52 8.866 -8.629 -3.625 1.00 23.31 H new ATOM 0 HA GLU A 52 11.087 -8.074 -5.479 1.00 21.15 H new ATOM 0 HB2 GLU A 52 10.407 -5.745 -5.235 1.00 20.01 H new ATOM 0 HB3 GLU A 52 9.025 -6.723 -5.687 1.00 20.01 H new ATOM 0 HG2 GLU A 52 8.058 -6.585 -3.539 1.00 4.33 H new ATOM 0 HG3 GLU A 52 9.569 -6.123 -2.780 1.00 4.33 H new ATOM 839 N THR A 53 11.790 -8.556 -2.660 1.00 71.53 N ATOM 840 CA THR A 53 12.720 -8.439 -1.544 1.00 2.35 C ATOM 841 C THR A 53 13.685 -9.617 -1.505 1.00 75.55 C ATOM 842 O THR A 53 13.266 -10.774 -1.441 1.00 30.05 O ATOM 843 CB THR A 53 11.976 -8.355 -0.198 1.00 1.21 C ATOM 844 OG1 THR A 53 11.433 -9.636 0.142 1.00 1.35 O ATOM 845 CG2 THR A 53 10.857 -7.325 -0.261 1.00 63.23 C ATOM 0 H THR A 53 11.374 -9.481 -2.766 1.00 71.53 H new ATOM 0 HA THR A 53 13.282 -7.518 -1.698 1.00 2.35 H new ATOM 0 HB THR A 53 12.689 -8.048 0.567 1.00 1.21 H new ATOM 0 HG1 THR A 53 11.308 -10.165 -0.673 1.00 1.35 H new ATOM 0 HG21 THR A 53 10.346 -7.284 0.701 1.00 63.23 H new ATOM 0 HG22 THR A 53 11.276 -6.346 -0.492 1.00 63.23 H new ATOM 0 HG23 THR A 53 10.146 -7.607 -1.038 1.00 63.23 H new ATOM 853 N SER A 54 14.980 -9.319 -1.543 1.00 44.32 N ATOM 854 CA SER A 54 16.004 -10.355 -1.516 1.00 63.43 C ATOM 855 C SER A 54 15.871 -11.219 -0.265 1.00 32.00 C ATOM 856 O SER A 54 16.325 -12.362 -0.236 1.00 44.42 O ATOM 857 CB SER A 54 17.398 -9.726 -1.568 1.00 23.13 C ATOM 858 OG SER A 54 18.371 -10.671 -1.978 1.00 75.51 O ATOM 0 H SER A 54 15.344 -8.368 -1.593 1.00 44.32 H new ATOM 0 HA SER A 54 15.866 -10.989 -2.391 1.00 63.43 H new ATOM 0 HB2 SER A 54 17.394 -8.882 -2.258 1.00 23.13 H new ATOM 0 HB3 SER A 54 17.660 -9.333 -0.585 1.00 23.13 H new ATOM 0 HG SER A 54 18.908 -10.293 -2.705 1.00 75.51 H new ATOM 864 N GLU A 55 15.243 -10.663 0.766 1.00 2.43 N ATOM 865 CA GLU A 55 15.050 -11.381 2.020 1.00 54.30 C ATOM 866 C GLU A 55 13.801 -12.256 1.958 1.00 71.30 C ATOM 867 O GLU A 55 13.823 -13.418 2.362 1.00 23.41 O ATOM 868 CB GLU A 55 14.938 -10.397 3.186 1.00 3.20 C ATOM 869 CG GLU A 55 15.614 -10.880 4.457 1.00 63.41 C ATOM 870 CD GLU A 55 14.694 -11.712 5.328 1.00 32.32 C ATOM 871 OE1 GLU A 55 14.456 -12.890 4.986 1.00 22.31 O1- ATOM 872 OE2 GLU A 55 14.211 -11.187 6.352 1.00 31.04 O ATOM 0 H GLU A 55 14.859 -9.718 0.758 1.00 2.43 H new ATOM 0 HA GLU A 55 15.917 -12.023 2.178 1.00 54.30 H new ATOM 0 HB2 GLU A 55 15.378 -9.445 2.890 1.00 3.20 H new ATOM 0 HB3 GLU A 55 13.884 -10.211 3.393 1.00 3.20 H new ATOM 0 HG2 GLU A 55 16.492 -11.470 4.195 1.00 63.41 H new ATOM 0 HG3 GLU A 55 15.967 -10.020 5.026 1.00 63.41 H new ATOM 879 N GLY A 56 12.712 -11.689 1.449 1.00 54.15 N ATOM 880 CA GLY A 56 11.469 -12.431 1.344 1.00 42.43 C ATOM 881 C GLY A 56 11.629 -13.722 0.568 1.00 74.23 C ATOM 882 O GLY A 56 11.188 -14.783 1.016 1.00 4.42 O ATOM 0 H GLY A 56 12.668 -10.729 1.107 1.00 54.15 H new ATOM 0 HA2 GLY A 56 11.098 -12.655 2.344 1.00 42.43 H new ATOM 0 HA3 GLY A 56 10.718 -11.809 0.857 1.00 42.43 H new ATOM 886 N CYS A 57 12.257 -13.637 -0.599 1.00 24.22 N ATOM 887 CA CYS A 57 12.473 -14.808 -1.441 1.00 34.33 C ATOM 888 C CYS A 57 13.124 -15.936 -0.647 1.00 12.03 C ATOM 889 O CYS A 57 12.701 -17.089 -0.726 1.00 34.14 O ATOM 890 CB CYS A 57 13.344 -14.445 -2.644 1.00 23.43 C ATOM 891 SG CYS A 57 12.455 -14.422 -4.219 1.00 25.42 S ATOM 0 H CYS A 57 12.626 -12.768 -0.984 1.00 24.22 H new ATOM 0 HA CYS A 57 11.502 -15.152 -1.797 1.00 34.33 H new ATOM 0 HB2 CYS A 57 13.788 -13.464 -2.475 1.00 23.43 H new ATOM 0 HB3 CYS A 57 14.165 -15.158 -2.713 1.00 23.43 H new ATOM 0 HG CYS A 57 12.699 -15.520 -4.871 1.00 25.42 H new ATOM 897 N ARG A 58 14.158 -15.595 0.115 1.00 34.34 N ATOM 898 CA ARG A 58 14.870 -16.579 0.922 1.00 43.51 C ATOM 899 C ARG A 58 13.923 -17.271 1.898 1.00 40.24 C ATOM 900 O ARG A 58 14.058 -18.465 2.167 1.00 12.35 O ATOM 901 CB ARG A 58 16.012 -15.911 1.690 1.00 42.02 C ATOM 902 CG ARG A 58 17.216 -16.814 1.899 1.00 60.53 C ATOM 903 CD ARG A 58 17.978 -16.444 3.161 1.00 32.53 C ATOM 904 NE ARG A 58 17.781 -17.425 4.227 1.00 4.44 N ATOM 905 CZ ARG A 58 18.549 -17.498 5.309 1.00 4.32 C ATOM 906 NH1 ARG A 58 19.558 -16.653 5.468 1.00 5.51 N1+ ATOM 907 NH2 ARG A 58 18.307 -18.418 6.234 1.00 1.24 N ATOM 0 H ARG A 58 14.521 -14.645 0.191 1.00 34.34 H new ATOM 0 HA ARG A 58 15.284 -17.331 0.250 1.00 43.51 H new ATOM 0 HB2 ARG A 58 16.328 -15.018 1.151 1.00 42.02 H new ATOM 0 HB3 ARG A 58 15.642 -15.583 2.661 1.00 42.02 H new ATOM 0 HG2 ARG A 58 16.887 -17.851 1.962 1.00 60.53 H new ATOM 0 HG3 ARG A 58 17.880 -16.742 1.038 1.00 60.53 H new ATOM 0 HD2 ARG A 58 19.041 -16.365 2.933 1.00 32.53 H new ATOM 0 HD3 ARG A 58 17.653 -15.463 3.507 1.00 32.53 H new ATOM 0 HE ARG A 58 17.012 -18.089 4.135 1.00 4.44 H new ATOM 0 HH11 ARG A 58 19.746 -15.944 4.759 1.00 5.51 H new ATOM 0 HH12 ARG A 58 20.146 -16.711 6.300 1.00 5.51 H new ATOM 0 HH21 ARG A 58 17.531 -19.069 6.115 1.00 1.24 H new ATOM 0 HH22 ARG A 58 18.897 -18.474 7.064 1.00 1.24 H new ATOM 921 N GLN A 59 12.967 -16.513 2.424 1.00 22.01 N ATOM 922 CA GLN A 59 11.999 -17.052 3.371 1.00 73.23 C ATOM 923 C GLN A 59 10.970 -17.926 2.660 1.00 41.51 C ATOM 924 O GLN A 59 10.675 -19.038 3.100 1.00 44.51 O ATOM 925 CB GLN A 59 11.294 -15.918 4.116 1.00 33.43 C ATOM 926 CG GLN A 59 11.841 -15.676 5.514 1.00 5.21 C ATOM 927 CD GLN A 59 11.594 -14.261 6.000 1.00 44.33 C ATOM 928 OE1 GLN A 59 11.220 -13.381 5.223 1.00 41.03 O ATOM 929 NE2 GLN A 59 11.803 -14.033 7.291 1.00 30.22 N ATOM 0 H GLN A 59 12.842 -15.523 2.210 1.00 22.01 H new ATOM 0 HA GLN A 59 12.538 -17.668 4.090 1.00 73.23 H new ATOM 0 HB2 GLN A 59 11.386 -15.000 3.535 1.00 33.43 H new ATOM 0 HB3 GLN A 59 10.230 -16.146 4.185 1.00 33.43 H new ATOM 0 HG2 GLN A 59 11.380 -16.380 6.207 1.00 5.21 H new ATOM 0 HG3 GLN A 59 12.912 -15.877 5.521 1.00 5.21 H new ATOM 0 HE21 GLN A 59 12.113 -14.791 7.899 1.00 30.22 H new ATOM 0 HE22 GLN A 59 11.654 -13.100 7.675 1.00 30.22 H new ATOM 938 N ILE A 60 10.428 -17.415 1.559 1.00 20.11 N ATOM 939 CA ILE A 60 9.433 -18.149 0.787 1.00 30.43 C ATOM 940 C ILE A 60 9.963 -19.516 0.366 1.00 3.43 C ATOM 941 O ILE A 60 9.225 -20.501 0.351 1.00 61.25 O ATOM 942 CB ILE A 60 9.006 -17.366 -0.469 1.00 33.41 C ATOM 943 CG1 ILE A 60 8.439 -16.000 -0.077 1.00 24.35 C ATOM 944 CG2 ILE A 60 7.982 -18.161 -1.266 1.00 23.44 C ATOM 945 CD1 ILE A 60 8.398 -15.012 -1.222 1.00 71.41 C ATOM 0 H ILE A 60 10.661 -16.496 1.182 1.00 20.11 H new ATOM 0 HA ILE A 60 8.566 -18.282 1.434 1.00 30.43 H new ATOM 0 HB ILE A 60 9.883 -17.208 -1.096 1.00 33.41 H new ATOM 0 HG12 ILE A 60 7.430 -16.133 0.314 1.00 24.35 H new ATOM 0 HG13 ILE A 60 9.041 -15.584 0.730 1.00 24.35 H new ATOM 0 HG21 ILE A 60 7.690 -17.595 -2.150 1.00 23.44 H new ATOM 0 HG22 ILE A 60 8.418 -19.112 -1.572 1.00 23.44 H new ATOM 0 HG23 ILE A 60 7.104 -18.346 -0.648 1.00 23.44 H new ATOM 0 HD11 ILE A 60 7.985 -14.066 -0.872 1.00 71.41 H new ATOM 0 HD12 ILE A 60 9.408 -14.850 -1.599 1.00 71.41 H new ATOM 0 HD13 ILE A 60 7.772 -15.407 -2.022 1.00 71.41 H new ATOM 957 N LEU A 61 11.245 -19.567 0.025 1.00 64.12 N ATOM 958 CA LEU A 61 11.877 -20.813 -0.396 1.00 54.33 C ATOM 959 C LEU A 61 12.058 -21.758 0.787 1.00 31.01 C ATOM 960 O LEU A 61 12.104 -22.976 0.621 1.00 22.52 O ATOM 961 CB LEU A 61 13.231 -20.528 -1.049 1.00 35.22 C ATOM 962 CG LEU A 61 13.193 -19.720 -2.347 1.00 31.41 C ATOM 963 CD1 LEU A 61 14.563 -19.134 -2.649 1.00 22.50 C ATOM 964 CD2 LEU A 61 12.715 -20.588 -3.501 1.00 4.21 C ATOM 0 H LEU A 61 11.868 -18.760 0.032 1.00 64.12 H new ATOM 0 HA LEU A 61 11.225 -21.294 -1.125 1.00 54.33 H new ATOM 0 HB2 LEU A 61 13.853 -19.995 -0.330 1.00 35.22 H new ATOM 0 HB3 LEU A 61 13.722 -21.480 -1.251 1.00 35.22 H new ATOM 0 HG LEU A 61 12.488 -18.898 -2.222 1.00 31.41 H new ATOM 0 HD11 LEU A 61 14.518 -18.562 -3.576 1.00 22.50 H new ATOM 0 HD12 LEU A 61 14.866 -18.478 -1.833 1.00 22.50 H new ATOM 0 HD13 LEU A 61 15.288 -19.941 -2.755 1.00 22.50 H new ATOM 0 HD21 LEU A 61 12.694 -19.997 -4.417 1.00 4.21 H new ATOM 0 HD22 LEU A 61 13.395 -21.430 -3.628 1.00 4.21 H new ATOM 0 HD23 LEU A 61 11.713 -20.960 -3.286 1.00 4.21 H new ATOM 976 N GLY A 62 12.157 -21.187 1.984 1.00 24.10 N ATOM 977 CA GLY A 62 12.331 -21.993 3.178 1.00 12.04 C ATOM 978 C GLY A 62 11.111 -22.837 3.490 1.00 21.04 C ATOM 979 O GLY A 62 11.233 -23.954 3.993 1.00 25.20 O ATOM 0 H GLY A 62 12.120 -20.181 2.148 1.00 24.10 H new ATOM 0 HA2 GLY A 62 13.196 -22.644 3.051 1.00 12.04 H new ATOM 0 HA3 GLY A 62 12.544 -21.341 4.025 1.00 12.04 H new ATOM 983 N GLN A 63 9.931 -22.302 3.192 1.00 61.34 N ATOM 984 CA GLN A 63 8.684 -23.014 3.447 1.00 64.04 C ATOM 985 C GLN A 63 8.397 -24.022 2.339 1.00 21.20 C ATOM 986 O GLN A 63 7.712 -25.023 2.557 1.00 1.43 O ATOM 987 CB GLN A 63 7.523 -22.025 3.566 1.00 44.05 C ATOM 988 CG GLN A 63 7.171 -21.670 5.000 1.00 34.23 C ATOM 989 CD GLN A 63 8.177 -20.728 5.632 1.00 31.43 C ATOM 990 OE1 GLN A 63 9.074 -20.217 4.961 1.00 13.30 O ATOM 991 NE2 GLN A 63 8.034 -20.493 6.931 1.00 13.43 N ATOM 0 H GLN A 63 9.812 -21.379 2.774 1.00 61.34 H new ATOM 0 HA GLN A 63 8.789 -23.555 4.387 1.00 64.04 H new ATOM 0 HB2 GLN A 63 7.777 -21.113 3.027 1.00 44.05 H new ATOM 0 HB3 GLN A 63 6.645 -22.449 3.079 1.00 44.05 H new ATOM 0 HG2 GLN A 63 6.183 -21.210 5.024 1.00 34.23 H new ATOM 0 HG3 GLN A 63 7.112 -22.583 5.592 1.00 34.23 H new ATOM 0 HE21 GLN A 63 7.276 -20.938 7.449 1.00 13.43 H new ATOM 0 HE22 GLN A 63 8.682 -19.868 7.411 1.00 13.43 H new ATOM 1000 N LEU A 64 8.925 -23.754 1.151 1.00 43.54 N ATOM 1001 CA LEU A 64 8.726 -24.637 0.007 1.00 73.11 C ATOM 1002 C LEU A 64 9.778 -25.741 -0.018 1.00 72.43 C ATOM 1003 O LEU A 64 9.546 -26.821 -0.562 1.00 52.43 O ATOM 1004 CB LEU A 64 8.778 -23.839 -1.296 1.00 42.43 C ATOM 1005 CG LEU A 64 7.681 -22.789 -1.485 1.00 62.32 C ATOM 1006 CD1 LEU A 64 7.877 -22.043 -2.795 1.00 4.40 C ATOM 1007 CD2 LEU A 64 6.307 -23.440 -1.440 1.00 72.12 C ATOM 0 H LEU A 64 9.495 -22.931 0.954 1.00 43.54 H new ATOM 0 HA LEU A 64 7.743 -25.098 0.104 1.00 73.11 H new ATOM 0 HB2 LEU A 64 9.745 -23.340 -1.354 1.00 42.43 H new ATOM 0 HB3 LEU A 64 8.730 -24.539 -2.130 1.00 42.43 H new ATOM 0 HG LEU A 64 7.747 -22.070 -0.668 1.00 62.32 H new ATOM 0 HD11 LEU A 64 7.088 -21.300 -2.912 1.00 4.40 H new ATOM 0 HD12 LEU A 64 8.846 -21.544 -2.788 1.00 4.40 H new ATOM 0 HD13 LEU A 64 7.838 -22.749 -3.625 1.00 4.40 H new ATOM 0 HD21 LEU A 64 5.539 -22.679 -1.576 1.00 72.12 H new ATOM 0 HD22 LEU A 64 6.229 -24.180 -2.236 1.00 72.12 H new ATOM 0 HD23 LEU A 64 6.167 -23.928 -0.476 1.00 72.12 H new ATOM 1019 N GLN A 65 10.934 -25.464 0.576 1.00 31.14 N ATOM 1020 CA GLN A 65 12.021 -26.434 0.624 1.00 60.24 C ATOM 1021 C GLN A 65 11.532 -27.773 1.166 1.00 11.13 C ATOM 1022 O GLN A 65 11.576 -28.800 0.488 1.00 4.31 O ATOM 1023 CB GLN A 65 13.167 -25.907 1.489 1.00 33.02 C ATOM 1024 CG GLN A 65 14.450 -25.658 0.715 1.00 43.34 C ATOM 1025 CD GLN A 65 15.691 -25.836 1.567 1.00 41.11 C ATOM 1026 OE1 GLN A 65 16.298 -26.907 1.584 1.00 43.41 O ATOM 1027 NE2 GLN A 65 16.075 -24.784 2.281 1.00 14.43 N ATOM 0 H GLN A 65 11.142 -24.575 1.031 1.00 31.14 H new ATOM 0 HA GLN A 65 12.384 -26.585 -0.393 1.00 60.24 H new ATOM 0 HB2 GLN A 65 12.854 -24.978 1.965 1.00 33.02 H new ATOM 0 HB3 GLN A 65 13.367 -26.622 2.287 1.00 33.02 H new ATOM 0 HG2 GLN A 65 14.496 -26.341 -0.134 1.00 43.34 H new ATOM 0 HG3 GLN A 65 14.435 -24.646 0.310 1.00 43.34 H new ATOM 0 HE21 GLN A 65 15.542 -23.916 2.237 1.00 14.43 H new ATOM 0 HE22 GLN A 65 16.903 -24.845 2.874 1.00 14.43 H new ATOM 1036 N PRO A 66 11.054 -27.766 2.419 1.00 21.13 N ATOM 1037 CA PRO A 66 10.548 -28.972 3.081 1.00 2.20 C ATOM 1038 C PRO A 66 9.233 -29.454 2.478 1.00 20.33 C ATOM 1039 O PRO A 66 8.825 -30.596 2.690 1.00 72.43 O ATOM 1040 CB PRO A 66 10.339 -28.520 4.529 1.00 72.42 C ATOM 1041 CG PRO A 66 10.129 -27.049 4.440 1.00 22.15 C ATOM 1042 CD PRO A 66 10.972 -26.578 3.287 1.00 73.12 C ATOM 0 HA PRO A 66 11.234 -29.813 2.978 1.00 2.20 H new ATOM 0 HB2 PRO A 66 9.479 -29.016 4.978 1.00 72.42 H new ATOM 0 HB3 PRO A 66 11.204 -28.760 5.147 1.00 72.42 H new ATOM 0 HG2 PRO A 66 9.077 -26.814 4.276 1.00 22.15 H new ATOM 0 HG3 PRO A 66 10.425 -26.556 5.366 1.00 22.15 H new ATOM 0 HD2 PRO A 66 10.513 -25.734 2.772 1.00 73.12 H new ATOM 0 HD3 PRO A 66 11.958 -26.252 3.617 1.00 73.12 H new ATOM 1050 N SER A 67 8.574 -28.578 1.727 1.00 4.02 N ATOM 1051 CA SER A 67 7.304 -28.914 1.097 1.00 50.43 C ATOM 1052 C SER A 67 7.529 -29.662 -0.214 1.00 72.24 C ATOM 1053 O SER A 67 6.685 -30.449 -0.646 1.00 53.44 O ATOM 1054 CB SER A 67 6.487 -27.647 0.839 1.00 45.41 C ATOM 1055 OG SER A 67 5.102 -27.886 1.023 1.00 42.11 O ATOM 0 H SER A 67 8.899 -27.629 1.540 1.00 4.02 H new ATOM 0 HA SER A 67 6.751 -29.563 1.776 1.00 50.43 H new ATOM 0 HB2 SER A 67 6.815 -26.856 1.513 1.00 45.41 H new ATOM 0 HB3 SER A 67 6.667 -27.295 -0.177 1.00 45.41 H new ATOM 0 HG SER A 67 4.640 -27.035 1.171 1.00 42.11 H new ATOM 1061 N LEU A 68 8.673 -29.413 -0.841 1.00 52.32 N ATOM 1062 CA LEU A 68 9.010 -30.063 -2.103 1.00 63.44 C ATOM 1063 C LEU A 68 8.893 -31.580 -1.983 1.00 2.24 C ATOM 1064 O LEU A 68 8.587 -32.266 -2.958 1.00 10.44 O ATOM 1065 CB LEU A 68 10.429 -29.682 -2.532 1.00 31.24 C ATOM 1066 CG LEU A 68 10.603 -28.273 -3.098 1.00 65.13 C ATOM 1067 CD1 LEU A 68 11.951 -27.696 -2.692 1.00 73.42 C ATOM 1068 CD2 LEU A 68 10.462 -28.286 -4.614 1.00 33.21 C ATOM 0 H LEU A 68 9.383 -28.766 -0.497 1.00 52.32 H new ATOM 0 HA LEU A 68 8.304 -29.721 -2.860 1.00 63.44 H new ATOM 0 HB2 LEU A 68 11.089 -29.790 -1.671 1.00 31.24 H new ATOM 0 HB3 LEU A 68 10.765 -30.398 -3.283 1.00 31.24 H new ATOM 0 HG LEU A 68 9.820 -27.638 -2.685 1.00 65.13 H new ATOM 0 HD11 LEU A 68 12.056 -26.693 -3.104 1.00 73.42 H new ATOM 0 HD12 LEU A 68 12.015 -27.650 -1.605 1.00 73.42 H new ATOM 0 HD13 LEU A 68 12.749 -28.332 -3.076 1.00 73.42 H new ATOM 0 HD21 LEU A 68 10.589 -27.275 -5.000 1.00 33.21 H new ATOM 0 HD22 LEU A 68 11.223 -28.937 -5.045 1.00 33.21 H new ATOM 0 HD23 LEU A 68 9.473 -28.656 -4.884 1.00 33.21 H new ATOM 1080 N GLN A 69 9.137 -32.094 -0.782 1.00 41.11 N ATOM 1081 CA GLN A 69 9.057 -33.528 -0.536 1.00 21.43 C ATOM 1082 C GLN A 69 7.711 -34.085 -0.988 1.00 10.23 C ATOM 1083 O GLN A 69 7.649 -35.076 -1.715 1.00 5.50 O ATOM 1084 CB GLN A 69 9.271 -33.825 0.949 1.00 22.31 C ATOM 1085 CG GLN A 69 9.784 -35.229 1.222 1.00 72.13 C ATOM 1086 CD GLN A 69 9.212 -35.822 2.495 1.00 73.24 C ATOM 1087 OE1 GLN A 69 8.582 -35.125 3.290 1.00 53.11 O ATOM 1088 NE2 GLN A 69 9.428 -37.117 2.694 1.00 73.25 N ATOM 0 H GLN A 69 9.391 -31.539 0.035 1.00 41.11 H new ATOM 0 HA GLN A 69 9.843 -34.014 -1.114 1.00 21.43 H new ATOM 0 HB2 GLN A 69 9.979 -33.103 1.357 1.00 22.31 H new ATOM 0 HB3 GLN A 69 8.329 -33.682 1.479 1.00 22.31 H new ATOM 0 HG2 GLN A 69 9.532 -35.874 0.380 1.00 72.13 H new ATOM 0 HG3 GLN A 69 10.871 -35.207 1.293 1.00 72.13 H new ATOM 0 HE21 GLN A 69 9.956 -37.657 2.008 1.00 73.25 H new ATOM 0 HE22 GLN A 69 9.066 -37.571 3.532 1.00 73.25 H new ATOM 1097 N THR A 70 6.633 -33.439 -0.552 1.00 64.11 N ATOM 1098 CA THR A 70 5.288 -33.870 -0.910 1.00 51.23 C ATOM 1099 C THR A 70 4.464 -32.707 -1.451 1.00 51.33 C ATOM 1100 O THR A 70 3.303 -32.532 -1.084 1.00 54.12 O ATOM 1101 CB THR A 70 4.555 -34.486 0.296 1.00 51.14 C ATOM 1102 OG1 THR A 70 4.179 -33.458 1.219 1.00 44.22 O ATOM 1103 CG2 THR A 70 5.436 -35.509 0.999 1.00 55.54 C ATOM 0 H THR A 70 6.666 -32.616 0.049 1.00 64.11 H new ATOM 0 HA THR A 70 5.396 -34.628 -1.686 1.00 51.23 H new ATOM 0 HB THR A 70 3.660 -34.990 -0.069 1.00 51.14 H new ATOM 0 HG1 THR A 70 3.457 -32.919 0.833 1.00 44.22 H new ATOM 0 HG21 THR A 70 4.898 -35.931 1.848 1.00 55.54 H new ATOM 0 HG22 THR A 70 5.696 -36.306 0.302 1.00 55.54 H new ATOM 0 HG23 THR A 70 6.346 -35.024 1.352 1.00 55.54 H new ATOM 1111 N GLY A 71 5.073 -31.912 -2.327 1.00 71.31 N ATOM 1112 CA GLY A 71 4.380 -30.776 -2.904 1.00 13.04 C ATOM 1113 C GLY A 71 3.672 -31.125 -4.198 1.00 10.41 C ATOM 1114 O GLY A 71 3.880 -32.201 -4.758 1.00 24.34 O ATOM 0 H GLY A 71 6.034 -32.035 -2.647 1.00 71.31 H new ATOM 0 HA2 GLY A 71 3.653 -30.395 -2.187 1.00 13.04 H new ATOM 0 HA3 GLY A 71 5.095 -29.974 -3.089 1.00 13.04 H new ATOM 1118 N SER A 72 2.830 -30.212 -4.675 1.00 75.51 N ATOM 1119 CA SER A 72 2.084 -30.431 -5.909 1.00 32.41 C ATOM 1120 C SER A 72 2.689 -29.632 -7.058 1.00 64.11 C ATOM 1121 O SER A 72 3.766 -29.051 -6.925 1.00 23.21 O ATOM 1122 CB SER A 72 0.617 -30.042 -5.718 1.00 12.41 C ATOM 1123 OG SER A 72 0.448 -28.638 -5.802 1.00 20.05 O ATOM 0 H SER A 72 2.648 -29.315 -4.226 1.00 75.51 H new ATOM 0 HA SER A 72 2.142 -31.491 -6.157 1.00 32.41 H new ATOM 0 HB2 SER A 72 0.006 -30.531 -6.476 1.00 12.41 H new ATOM 0 HB3 SER A 72 0.266 -30.397 -4.749 1.00 12.41 H new ATOM 0 HG SER A 72 -0.498 -28.414 -5.678 1.00 20.05 H new ATOM 1129 N GLU A 73 1.989 -29.608 -8.188 1.00 32.23 N ATOM 1130 CA GLU A 73 2.458 -28.881 -9.362 1.00 31.34 C ATOM 1131 C GLU A 73 2.644 -27.400 -9.045 1.00 70.11 C ATOM 1132 O GLU A 73 3.645 -26.794 -9.429 1.00 55.22 O ATOM 1133 CB GLU A 73 1.470 -29.046 -10.519 1.00 45.01 C ATOM 1134 CG GLU A 73 1.491 -30.431 -11.144 1.00 61.34 C ATOM 1135 CD GLU A 73 0.677 -30.508 -12.421 1.00 4.33 C ATOM 1136 OE1 GLU A 73 0.103 -29.473 -12.820 1.00 0.23 O ATOM 1137 OE2 GLU A 73 0.613 -31.600 -13.020 1.00 74.53 O1- ATOM 0 H GLU A 73 1.096 -30.083 -8.315 1.00 32.23 H new ATOM 0 HA GLU A 73 3.422 -29.296 -9.655 1.00 31.34 H new ATOM 0 HB2 GLU A 73 0.463 -28.834 -10.159 1.00 45.01 H new ATOM 0 HB3 GLU A 73 1.696 -28.306 -11.287 1.00 45.01 H new ATOM 0 HG2 GLU A 73 2.522 -30.713 -11.357 1.00 61.34 H new ATOM 0 HG3 GLU A 73 1.104 -31.155 -10.427 1.00 61.34 H new ATOM 1144 N GLU A 74 1.673 -26.823 -8.344 1.00 74.42 N ATOM 1145 CA GLU A 74 1.730 -25.413 -7.977 1.00 53.02 C ATOM 1146 C GLU A 74 2.982 -25.114 -7.158 1.00 41.12 C ATOM 1147 O GLU A 74 3.676 -24.126 -7.403 1.00 33.11 O ATOM 1148 CB GLU A 74 0.482 -25.019 -7.184 1.00 22.42 C ATOM 1149 CG GLU A 74 -0.597 -24.368 -8.031 1.00 72.24 C ATOM 1150 CD GLU A 74 -1.962 -24.994 -7.820 1.00 71.21 C ATOM 1151 OE1 GLU A 74 -2.134 -26.177 -8.184 1.00 11.10 O ATOM 1152 OE2 GLU A 74 -2.857 -24.303 -7.290 1.00 51.31 O1- ATOM 0 H GLU A 74 0.838 -27.310 -8.019 1.00 74.42 H new ATOM 0 HA GLU A 74 1.769 -24.826 -8.895 1.00 53.02 H new ATOM 0 HB2 GLU A 74 0.070 -25.908 -6.706 1.00 22.42 H new ATOM 0 HB3 GLU A 74 0.770 -24.333 -6.387 1.00 22.42 H new ATOM 0 HG2 GLU A 74 -0.648 -23.305 -7.793 1.00 72.24 H new ATOM 0 HG3 GLU A 74 -0.324 -24.447 -9.083 1.00 72.24 H new ATOM 1159 N LEU A 75 3.266 -25.974 -6.186 1.00 44.14 N ATOM 1160 CA LEU A 75 4.434 -25.802 -5.329 1.00 44.55 C ATOM 1161 C LEU A 75 5.718 -25.803 -6.154 1.00 62.40 C ATOM 1162 O LEU A 75 6.551 -24.907 -6.024 1.00 45.30 O ATOM 1163 CB LEU A 75 4.488 -26.912 -4.279 1.00 21.53 C ATOM 1164 CG LEU A 75 5.276 -26.595 -3.008 1.00 31.34 C ATOM 1165 CD1 LEU A 75 4.583 -27.184 -1.788 1.00 62.44 C ATOM 1166 CD2 LEU A 75 6.701 -27.119 -3.118 1.00 22.23 C ATOM 0 H LEU A 75 2.703 -26.797 -5.972 1.00 44.14 H new ATOM 0 HA LEU A 75 4.347 -24.839 -4.826 1.00 44.55 H new ATOM 0 HB2 LEU A 75 3.467 -27.167 -3.995 1.00 21.53 H new ATOM 0 HB3 LEU A 75 4.922 -27.800 -4.740 1.00 21.53 H new ATOM 0 HG LEU A 75 5.316 -25.512 -2.890 1.00 31.34 H new ATOM 0 HD11 LEU A 75 5.159 -26.948 -0.893 1.00 62.44 H new ATOM 0 HD12 LEU A 75 3.583 -26.761 -1.698 1.00 62.44 H new ATOM 0 HD13 LEU A 75 4.510 -28.266 -1.898 1.00 62.44 H new ATOM 0 HD21 LEU A 75 7.247 -26.884 -2.204 1.00 22.23 H new ATOM 0 HD22 LEU A 75 6.681 -28.199 -3.261 1.00 22.23 H new ATOM 0 HD23 LEU A 75 7.197 -26.649 -3.967 1.00 22.23 H new ATOM 1178 N ARG A 76 5.869 -26.816 -7.002 1.00 2.35 N ATOM 1179 CA ARG A 76 7.051 -26.933 -7.848 1.00 13.12 C ATOM 1180 C ARG A 76 7.267 -25.659 -8.660 1.00 24.31 C ATOM 1181 O ARG A 76 8.350 -25.074 -8.638 1.00 12.44 O ATOM 1182 CB ARG A 76 6.914 -28.132 -8.788 1.00 40.31 C ATOM 1183 CG ARG A 76 8.113 -29.065 -8.763 1.00 71.11 C ATOM 1184 CD ARG A 76 8.258 -29.823 -10.074 1.00 14.04 C ATOM 1185 NE ARG A 76 9.637 -30.238 -10.317 1.00 34.32 N ATOM 1186 CZ ARG A 76 10.034 -30.854 -11.425 1.00 53.20 C ATOM 1187 NH1 ARG A 76 9.162 -31.123 -12.387 1.00 1.03 N1+ ATOM 1188 NH2 ARG A 76 11.306 -31.201 -11.572 1.00 1.14 N ATOM 0 H ARG A 76 5.188 -27.566 -7.121 1.00 2.35 H new ATOM 0 HA ARG A 76 7.916 -27.083 -7.202 1.00 13.12 H new ATOM 0 HB2 ARG A 76 6.021 -28.695 -8.517 1.00 40.31 H new ATOM 0 HB3 ARG A 76 6.767 -27.770 -9.806 1.00 40.31 H new ATOM 0 HG2 ARG A 76 9.019 -28.490 -8.572 1.00 71.11 H new ATOM 0 HG3 ARG A 76 8.007 -29.774 -7.942 1.00 71.11 H new ATOM 0 HD2 ARG A 76 7.613 -30.701 -10.058 1.00 14.04 H new ATOM 0 HD3 ARG A 76 7.919 -29.193 -10.896 1.00 14.04 H new ATOM 0 HE ARG A 76 10.333 -30.044 -9.597 1.00 34.32 H new ATOM 0 HH11 ARG A 76 8.183 -30.857 -12.277 1.00 1.03 H new ATOM 0 HH12 ARG A 76 9.470 -31.596 -13.237 1.00 1.03 H new ATOM 0 HH21 ARG A 76 11.979 -30.995 -10.834 1.00 1.14 H new ATOM 0 HH22 ARG A 76 11.611 -31.674 -12.423 1.00 1.14 H new ATOM 1202 N SER A 77 6.230 -25.236 -9.375 1.00 13.00 N ATOM 1203 CA SER A 77 6.307 -24.035 -10.197 1.00 4.44 C ATOM 1204 C SER A 77 6.781 -22.841 -9.373 1.00 63.42 C ATOM 1205 O SER A 77 7.542 -22.001 -9.855 1.00 43.01 O ATOM 1206 CB SER A 77 4.944 -23.728 -10.821 1.00 61.30 C ATOM 1207 OG SER A 77 4.777 -24.419 -12.047 1.00 31.01 O ATOM 0 H SER A 77 5.326 -25.708 -9.402 1.00 13.00 H new ATOM 0 HA SER A 77 7.030 -24.217 -10.992 1.00 4.44 H new ATOM 0 HB2 SER A 77 4.151 -24.012 -10.129 1.00 61.30 H new ATOM 0 HB3 SER A 77 4.851 -22.655 -10.989 1.00 61.30 H new ATOM 0 HG SER A 77 3.898 -24.207 -12.425 1.00 31.01 H new ATOM 1213 N LEU A 78 6.328 -22.774 -8.126 1.00 73.12 N ATOM 1214 CA LEU A 78 6.704 -21.685 -7.232 1.00 23.23 C ATOM 1215 C LEU A 78 8.207 -21.692 -6.968 1.00 54.13 C ATOM 1216 O LEU A 78 8.897 -20.705 -7.224 1.00 43.34 O ATOM 1217 CB LEU A 78 5.943 -21.796 -5.910 1.00 55.23 C ATOM 1218 CG LEU A 78 4.765 -20.837 -5.731 1.00 70.23 C ATOM 1219 CD1 LEU A 78 5.229 -19.394 -5.858 1.00 52.54 C ATOM 1220 CD2 LEU A 78 3.672 -21.139 -6.745 1.00 4.51 C ATOM 0 H LEU A 78 5.699 -23.462 -7.711 1.00 73.12 H new ATOM 0 HA LEU A 78 6.442 -20.744 -7.716 1.00 23.23 H new ATOM 0 HB2 LEU A 78 5.573 -22.817 -5.811 1.00 55.23 H new ATOM 0 HB3 LEU A 78 6.647 -21.632 -5.094 1.00 55.23 H new ATOM 0 HG LEU A 78 4.354 -20.979 -4.732 1.00 70.23 H new ATOM 0 HD11 LEU A 78 4.378 -18.725 -5.728 1.00 52.54 H new ATOM 0 HD12 LEU A 78 5.976 -19.183 -5.093 1.00 52.54 H new ATOM 0 HD13 LEU A 78 5.666 -19.238 -6.844 1.00 52.54 H new ATOM 0 HD21 LEU A 78 2.842 -20.447 -6.602 1.00 4.51 H new ATOM 0 HD22 LEU A 78 4.070 -21.026 -7.753 1.00 4.51 H new ATOM 0 HD23 LEU A 78 3.320 -22.161 -6.607 1.00 4.51 H new ATOM 1232 N TYR A 79 8.707 -22.811 -6.456 1.00 2.34 N ATOM 1233 CA TYR A 79 10.128 -22.946 -6.157 1.00 15.31 C ATOM 1234 C TYR A 79 10.977 -22.578 -7.369 1.00 2.02 C ATOM 1235 O TYR A 79 12.101 -22.098 -7.231 1.00 31.04 O ATOM 1236 CB TYR A 79 10.442 -24.377 -5.715 1.00 4.11 C ATOM 1237 CG TYR A 79 11.585 -24.468 -4.729 1.00 42.22 C ATOM 1238 CD1 TYR A 79 11.489 -23.887 -3.470 1.00 53.31 C ATOM 1239 CD2 TYR A 79 12.760 -25.134 -5.055 1.00 12.33 C ATOM 1240 CE1 TYR A 79 12.530 -23.967 -2.565 1.00 73.01 C ATOM 1241 CE2 TYR A 79 13.805 -25.220 -4.157 1.00 33.13 C ATOM 1242 CZ TYR A 79 13.685 -24.635 -2.913 1.00 4.21 C ATOM 1243 OH TYR A 79 14.726 -24.718 -2.015 1.00 12.23 O ATOM 0 H TYR A 79 8.150 -23.637 -6.239 1.00 2.34 H new ATOM 0 HA TYR A 79 10.370 -22.260 -5.346 1.00 15.31 H new ATOM 0 HB2 TYR A 79 9.550 -24.814 -5.266 1.00 4.11 H new ATOM 0 HB3 TYR A 79 10.682 -24.976 -6.594 1.00 4.11 H new ATOM 0 HD1 TYR A 79 10.585 -23.364 -3.194 1.00 53.31 H new ATOM 0 HD2 TYR A 79 12.858 -25.592 -6.028 1.00 12.33 H new ATOM 0 HE1 TYR A 79 12.440 -23.509 -1.591 1.00 73.01 H new ATOM 0 HE2 TYR A 79 14.711 -25.742 -4.427 1.00 33.13 H new ATOM 0 HH TYR A 79 15.464 -25.223 -2.416 1.00 12.23 H new ATOM 1253 N ASN A 80 10.429 -22.805 -8.559 1.00 62.22 N ATOM 1254 CA ASN A 80 11.135 -22.497 -9.797 1.00 10.40 C ATOM 1255 C ASN A 80 11.227 -20.988 -10.010 1.00 72.31 C ATOM 1256 O ASN A 80 12.318 -20.433 -10.137 1.00 44.20 O ATOM 1257 CB ASN A 80 10.430 -23.149 -10.988 1.00 35.45 C ATOM 1258 CG ASN A 80 10.864 -24.587 -11.200 1.00 12.05 C ATOM 1259 OD1 ASN A 80 11.212 -25.289 -10.250 1.00 44.42 O ATOM 1260 ND2 ASN A 80 10.846 -25.031 -12.452 1.00 30.54 N ATOM 0 H ASN A 80 9.498 -23.201 -8.692 1.00 62.22 H new ATOM 0 HA ASN A 80 12.146 -22.898 -9.718 1.00 10.40 H new ATOM 0 HB2 ASN A 80 9.352 -23.117 -10.831 1.00 35.45 H new ATOM 0 HB3 ASN A 80 10.638 -22.573 -11.890 1.00 35.45 H new ATOM 0 HD21 ASN A 80 11.128 -25.989 -12.657 1.00 30.54 H new ATOM 0 HD22 ASN A 80 10.550 -24.413 -13.208 1.00 30.54 H new ATOM 1267 N THR A 81 10.072 -20.331 -10.048 1.00 42.01 N ATOM 1268 CA THR A 81 10.021 -18.888 -10.247 1.00 12.14 C ATOM 1269 C THR A 81 10.731 -18.152 -9.117 1.00 35.44 C ATOM 1270 O THR A 81 11.606 -17.320 -9.358 1.00 62.43 O ATOM 1271 CB THR A 81 8.568 -18.385 -10.339 1.00 2.44 C ATOM 1272 OG1 THR A 81 7.862 -19.109 -11.352 1.00 1.34 O ATOM 1273 CG2 THR A 81 8.529 -16.897 -10.651 1.00 44.22 C ATOM 0 H THR A 81 9.160 -20.775 -9.944 1.00 42.01 H new ATOM 0 HA THR A 81 10.530 -18.680 -11.188 1.00 12.14 H new ATOM 0 HB THR A 81 8.088 -18.550 -9.374 1.00 2.44 H new ATOM 0 HG1 THR A 81 7.690 -20.022 -11.041 1.00 1.34 H new ATOM 0 HG21 THR A 81 7.493 -16.565 -10.711 1.00 44.22 H new ATOM 0 HG22 THR A 81 9.041 -16.346 -9.862 1.00 44.22 H new ATOM 0 HG23 THR A 81 9.025 -16.712 -11.604 1.00 44.22 H new ATOM 1281 N ILE A 82 10.349 -18.463 -7.882 1.00 43.21 N ATOM 1282 CA ILE A 82 10.952 -17.832 -6.715 1.00 14.22 C ATOM 1283 C ILE A 82 12.467 -17.999 -6.721 1.00 4.15 C ATOM 1284 O ILE A 82 13.192 -17.189 -6.144 1.00 23.54 O ATOM 1285 CB ILE A 82 10.387 -18.415 -5.406 1.00 32.03 C ATOM 1286 CG1 ILE A 82 8.866 -18.257 -5.365 1.00 71.02 C ATOM 1287 CG2 ILE A 82 11.028 -17.737 -4.205 1.00 20.25 C ATOM 1288 CD1 ILE A 82 8.197 -19.114 -4.313 1.00 3.43 C ATOM 0 H ILE A 82 9.625 -19.148 -7.665 1.00 43.21 H new ATOM 0 HA ILE A 82 10.706 -16.771 -6.767 1.00 14.22 H new ATOM 0 HB ILE A 82 10.623 -19.478 -5.368 1.00 32.03 H new ATOM 0 HG12 ILE A 82 8.622 -17.211 -5.178 1.00 71.02 H new ATOM 0 HG13 ILE A 82 8.456 -18.510 -6.343 1.00 71.02 H new ATOM 0 HG21 ILE A 82 10.619 -18.159 -3.287 1.00 20.25 H new ATOM 0 HG22 ILE A 82 12.106 -17.897 -4.229 1.00 20.25 H new ATOM 0 HG23 ILE A 82 10.819 -16.668 -4.237 1.00 20.25 H new ATOM 0 HD11 ILE A 82 7.120 -18.950 -4.342 1.00 3.43 H new ATOM 0 HD12 ILE A 82 8.410 -20.165 -4.510 1.00 3.43 H new ATOM 0 HD13 ILE A 82 8.579 -18.845 -3.328 1.00 3.43 H new ATOM 1300 N ALA A 83 12.939 -19.053 -7.379 1.00 12.25 N ATOM 1301 CA ALA A 83 14.368 -19.323 -7.463 1.00 11.12 C ATOM 1302 C ALA A 83 15.055 -18.352 -8.418 1.00 23.32 C ATOM 1303 O ALA A 83 15.919 -17.575 -8.012 1.00 23.24 O ATOM 1304 CB ALA A 83 14.608 -20.759 -7.905 1.00 60.33 C ATOM 0 H ALA A 83 12.352 -19.733 -7.861 1.00 12.25 H new ATOM 0 HA ALA A 83 14.798 -19.182 -6.472 1.00 11.12 H new ATOM 0 HB1 ALA A 83 15.680 -20.947 -7.964 1.00 60.33 H new ATOM 0 HB2 ALA A 83 14.159 -21.442 -7.184 1.00 60.33 H new ATOM 0 HB3 ALA A 83 14.158 -20.918 -8.885 1.00 60.33 H new ATOM 1310 N VAL A 84 14.666 -18.403 -9.687 1.00 1.44 N ATOM 1311 CA VAL A 84 15.244 -17.527 -10.700 1.00 22.34 C ATOM 1312 C VAL A 84 15.194 -16.069 -10.258 1.00 14.52 C ATOM 1313 O VAL A 84 16.120 -15.298 -10.515 1.00 44.50 O ATOM 1314 CB VAL A 84 14.514 -17.669 -12.048 1.00 63.23 C ATOM 1315 CG1 VAL A 84 15.113 -16.727 -13.082 1.00 22.21 C ATOM 1316 CG2 VAL A 84 14.569 -19.110 -12.533 1.00 52.12 C ATOM 0 H VAL A 84 13.953 -19.042 -10.039 1.00 1.44 H new ATOM 0 HA VAL A 84 16.283 -17.830 -10.825 1.00 22.34 H new ATOM 0 HB VAL A 84 13.468 -17.396 -11.906 1.00 63.23 H new ATOM 0 HG11 VAL A 84 14.584 -16.842 -14.028 1.00 22.21 H new ATOM 0 HG12 VAL A 84 15.018 -15.698 -12.735 1.00 22.21 H new ATOM 0 HG13 VAL A 84 16.167 -16.966 -13.224 1.00 22.21 H new ATOM 0 HG21 VAL A 84 14.048 -19.193 -13.487 1.00 52.12 H new ATOM 0 HG22 VAL A 84 15.609 -19.412 -12.660 1.00 52.12 H new ATOM 0 HG23 VAL A 84 14.089 -19.759 -11.800 1.00 52.12 H new ATOM 1326 N LEU A 85 14.107 -15.694 -9.592 1.00 74.33 N ATOM 1327 CA LEU A 85 13.935 -14.328 -9.114 1.00 12.33 C ATOM 1328 C LEU A 85 14.912 -14.019 -7.984 1.00 1.43 C ATOM 1329 O LEU A 85 15.626 -13.016 -8.024 1.00 73.22 O ATOM 1330 CB LEU A 85 12.498 -14.112 -8.634 1.00 42.31 C ATOM 1331 CG LEU A 85 12.077 -12.659 -8.410 1.00 14.34 C ATOM 1332 CD1 LEU A 85 11.667 -12.013 -9.724 1.00 15.23 C ATOM 1333 CD2 LEU A 85 10.942 -12.583 -7.399 1.00 4.30 C ATOM 0 H LEU A 85 13.331 -16.318 -9.371 1.00 74.33 H new ATOM 0 HA LEU A 85 14.141 -13.651 -9.943 1.00 12.33 H new ATOM 0 HB2 LEU A 85 11.822 -14.557 -9.364 1.00 42.31 H new ATOM 0 HB3 LEU A 85 12.362 -14.657 -7.700 1.00 42.31 H new ATOM 0 HG LEU A 85 12.930 -12.111 -8.011 1.00 14.34 H new ATOM 0 HD11 LEU A 85 11.371 -10.980 -9.544 1.00 15.23 H new ATOM 0 HD12 LEU A 85 12.507 -12.034 -10.418 1.00 15.23 H new ATOM 0 HD13 LEU A 85 10.828 -12.562 -10.153 1.00 15.23 H new ATOM 0 HD21 LEU A 85 10.655 -11.542 -7.252 1.00 4.30 H new ATOM 0 HD22 LEU A 85 10.086 -13.146 -7.770 1.00 4.30 H new ATOM 0 HD23 LEU A 85 11.271 -13.006 -6.450 1.00 4.30 H new ATOM 1345 N TYR A 86 14.941 -14.888 -6.980 1.00 13.50 N ATOM 1346 CA TYR A 86 15.830 -14.709 -5.839 1.00 3.52 C ATOM 1347 C TYR A 86 17.268 -14.488 -6.298 1.00 41.34 C ATOM 1348 O TYR A 86 17.929 -13.539 -5.876 1.00 54.12 O ATOM 1349 CB TYR A 86 15.759 -15.924 -4.913 1.00 1.44 C ATOM 1350 CG TYR A 86 16.798 -15.911 -3.815 1.00 0.32 C ATOM 1351 CD1 TYR A 86 16.739 -14.978 -2.787 1.00 33.35 C ATOM 1352 CD2 TYR A 86 17.839 -16.831 -3.806 1.00 33.42 C ATOM 1353 CE1 TYR A 86 17.687 -14.962 -1.781 1.00 50.24 C ATOM 1354 CE2 TYR A 86 18.790 -16.824 -2.804 1.00 11.11 C ATOM 1355 CZ TYR A 86 18.710 -15.887 -1.794 1.00 2.22 C ATOM 1356 OH TYR A 86 19.655 -15.875 -0.795 1.00 14.02 O ATOM 0 H TYR A 86 14.359 -15.724 -6.933 1.00 13.50 H new ATOM 0 HA TYR A 86 15.502 -13.825 -5.292 1.00 3.52 H new ATOM 0 HB2 TYR A 86 14.767 -15.969 -4.463 1.00 1.44 H new ATOM 0 HB3 TYR A 86 15.881 -16.830 -5.506 1.00 1.44 H new ATOM 0 HD1 TYR A 86 15.939 -14.253 -2.774 1.00 33.35 H new ATOM 0 HD2 TYR A 86 17.906 -17.564 -4.596 1.00 33.42 H new ATOM 0 HE1 TYR A 86 17.627 -14.230 -0.990 1.00 50.24 H new ATOM 0 HE2 TYR A 86 19.592 -17.548 -2.811 1.00 11.11 H new ATOM 0 HH TYR A 86 20.305 -16.591 -0.951 1.00 14.02 H new ATOM 1366 N CYS A 87 17.745 -15.372 -7.167 1.00 62.03 N ATOM 1367 CA CYS A 87 19.105 -15.277 -7.686 1.00 63.23 C ATOM 1368 C CYS A 87 19.377 -13.885 -8.247 1.00 11.10 C ATOM 1369 O CYS A 87 20.511 -13.405 -8.223 1.00 11.32 O ATOM 1370 CB CYS A 87 19.335 -16.330 -8.771 1.00 44.22 C ATOM 1371 SG CYS A 87 19.493 -18.017 -8.140 1.00 61.32 S ATOM 0 H CYS A 87 17.210 -16.163 -7.527 1.00 62.03 H new ATOM 0 HA CYS A 87 19.795 -15.459 -6.862 1.00 63.23 H new ATOM 0 HB2 CYS A 87 18.507 -16.294 -9.479 1.00 44.22 H new ATOM 0 HB3 CYS A 87 20.238 -16.074 -9.325 1.00 44.22 H new ATOM 0 HG CYS A 87 20.088 -18.758 -9.027 1.00 61.32 H new ATOM 1377 N VAL A 88 18.329 -13.241 -8.752 1.00 62.22 N ATOM 1378 CA VAL A 88 18.454 -11.904 -9.320 1.00 22.14 C ATOM 1379 C VAL A 88 18.579 -10.852 -8.224 1.00 2.41 C ATOM 1380 O VAL A 88 19.338 -9.890 -8.355 1.00 35.13 O ATOM 1381 CB VAL A 88 17.249 -11.559 -10.214 1.00 22.23 C ATOM 1382 CG1 VAL A 88 17.447 -10.205 -10.878 1.00 14.14 C ATOM 1383 CG2 VAL A 88 17.029 -12.646 -11.256 1.00 23.41 C ATOM 0 H VAL A 88 17.384 -13.624 -8.779 1.00 62.22 H new ATOM 0 HA VAL A 88 19.359 -11.901 -9.928 1.00 22.14 H new ATOM 0 HB VAL A 88 16.359 -11.503 -9.588 1.00 22.23 H new ATOM 0 HG11 VAL A 88 16.585 -9.978 -11.506 1.00 14.14 H new ATOM 0 HG12 VAL A 88 17.551 -9.436 -10.112 1.00 14.14 H new ATOM 0 HG13 VAL A 88 18.347 -10.229 -11.492 1.00 14.14 H new ATOM 0 HG21 VAL A 88 16.173 -12.385 -11.879 1.00 23.41 H new ATOM 0 HG22 VAL A 88 17.918 -12.737 -11.880 1.00 23.41 H new ATOM 0 HG23 VAL A 88 16.838 -13.596 -10.756 1.00 23.41 H new ATOM 1393 N HIS A 89 17.829 -11.039 -7.142 1.00 52.24 N ATOM 1394 CA HIS A 89 17.855 -10.106 -6.021 1.00 23.12 C ATOM 1395 C HIS A 89 19.108 -10.312 -5.174 1.00 43.52 C ATOM 1396 O HIS A 89 19.375 -9.447 -4.341 1.00 14.42 O ATOM 1397 CB HIS A 89 16.607 -10.280 -5.155 1.00 45.31 C ATOM 1398 CG HIS A 89 15.329 -9.995 -5.884 1.00 31.12 C ATOM 1399 ND1 HIS A 89 15.262 -9.185 -6.997 1.00 45.11 N ATOM 1400 CD2 HIS A 89 14.065 -10.419 -5.653 1.00 63.02 C ATOM 1401 CE1 HIS A 89 14.012 -9.122 -7.418 1.00 53.42 C ATOM 1402 NE2 HIS A 89 13.266 -9.863 -6.619 1.00 55.43 N ATOM 0 H HIS A 89 17.195 -11.829 -7.018 1.00 52.24 H new ATOM 0 HA HIS A 89 17.870 -9.093 -6.423 1.00 23.12 H new ATOM 0 HB2 HIS A 89 16.579 -11.301 -4.774 1.00 45.31 H new ATOM 0 HB3 HIS A 89 16.679 -9.619 -4.291 1.00 45.31 H new ATOM 0 HD1 HIS A 89 16.054 -8.709 -7.428 1.00 45.11 H new ATOM 0 HD2 HIS A 89 13.745 -11.074 -4.856 1.00 63.02 H new ATOM 0 HE1 HIS A 89 13.660 -8.560 -8.270 1.00 53.42 H new ATOM 0 HE2 HIS A 89 12.259 -10.000 -6.706 1.00 55.43 H new ATOM 1411 N GLN A 90 19.857 -11.395 -5.359 1.00 12.33 N ATOM 1412 CA GLN A 90 21.061 -11.632 -4.572 1.00 74.45 C ATOM 1413 C GLN A 90 22.311 -11.284 -5.372 1.00 42.44 C ATOM 1414 O GLN A 90 22.962 -10.271 -5.116 1.00 52.31 O ATOM 1415 CB GLN A 90 21.121 -13.094 -4.123 1.00 31.54 C ATOM 1416 CG GLN A 90 20.915 -13.278 -2.627 1.00 64.43 C ATOM 1417 CD GLN A 90 21.845 -14.320 -2.035 1.00 3.51 C ATOM 1418 OE1 GLN A 90 22.466 -14.095 -0.996 1.00 32.24 O ATOM 1419 NE2 GLN A 90 21.944 -15.468 -2.694 1.00 44.12 N ATOM 0 H GLN A 90 19.651 -12.121 -6.046 1.00 12.33 H new ATOM 0 HA GLN A 90 21.023 -10.989 -3.693 1.00 74.45 H new ATOM 0 HB2 GLN A 90 20.361 -13.662 -4.659 1.00 31.54 H new ATOM 0 HB3 GLN A 90 22.088 -13.512 -4.403 1.00 31.54 H new ATOM 0 HG2 GLN A 90 21.074 -12.325 -2.122 1.00 64.43 H new ATOM 0 HG3 GLN A 90 19.882 -13.570 -2.439 1.00 64.43 H new ATOM 0 HE21 GLN A 90 21.411 -15.611 -3.552 1.00 44.12 H new ATOM 0 HE22 GLN A 90 22.553 -16.207 -2.343 1.00 44.12 H new ATOM 1428 N ARG A 91 22.643 -12.130 -6.343 1.00 53.32 N ATOM 1429 CA ARG A 91 23.816 -11.912 -7.180 1.00 12.34 C ATOM 1430 C ARG A 91 23.954 -13.017 -8.222 1.00 50.51 C ATOM 1431 O ARG A 91 24.389 -12.772 -9.348 1.00 23.00 O ATOM 1432 CB ARG A 91 25.078 -11.847 -6.318 1.00 71.51 C ATOM 1433 CG ARG A 91 25.874 -10.564 -6.496 1.00 61.04 C ATOM 1434 CD ARG A 91 26.562 -10.520 -7.852 1.00 42.24 C ATOM 1435 NE ARG A 91 26.282 -9.278 -8.568 1.00 34.23 N ATOM 1436 CZ ARG A 91 26.484 -9.118 -9.870 1.00 60.33 C ATOM 1437 NH1 ARG A 91 26.966 -10.118 -10.597 1.00 33.12 N1+ ATOM 1438 NH2 ARG A 91 26.205 -7.958 -10.450 1.00 23.13 N ATOM 0 H ARG A 91 22.115 -12.973 -6.569 1.00 53.32 H new ATOM 0 HA ARG A 91 23.690 -10.962 -7.699 1.00 12.34 H new ATOM 0 HB2 ARG A 91 24.797 -11.947 -5.270 1.00 71.51 H new ATOM 0 HB3 ARG A 91 25.716 -12.697 -6.559 1.00 71.51 H new ATOM 0 HG2 ARG A 91 25.210 -9.705 -6.395 1.00 61.04 H new ATOM 0 HG3 ARG A 91 26.620 -10.484 -5.705 1.00 61.04 H new ATOM 0 HD2 ARG A 91 27.638 -10.625 -7.716 1.00 42.24 H new ATOM 0 HD3 ARG A 91 26.232 -11.367 -8.453 1.00 42.24 H new ATOM 0 HE ARG A 91 25.911 -8.490 -8.038 1.00 34.23 H new ATOM 0 HH11 ARG A 91 27.182 -11.012 -10.155 1.00 33.12 H new ATOM 0 HH12 ARG A 91 27.120 -9.993 -11.597 1.00 33.12 H new ATOM 0 HH21 ARG A 91 25.834 -7.187 -9.895 1.00 23.13 H new ATOM 0 HH22 ARG A 91 26.361 -7.838 -11.451 1.00 23.13 H new ATOM 1452 N ILE A 92 23.581 -14.233 -7.840 1.00 31.41 N ATOM 1453 CA ILE A 92 23.664 -15.376 -8.741 1.00 35.31 C ATOM 1454 C ILE A 92 22.976 -15.079 -10.069 1.00 43.23 C ATOM 1455 O ILE A 92 21.831 -14.626 -10.100 1.00 50.11 O ATOM 1456 CB ILE A 92 23.028 -16.632 -8.117 1.00 72.50 C ATOM 1457 CG1 ILE A 92 23.657 -16.926 -6.754 1.00 20.34 C ATOM 1458 CG2 ILE A 92 23.187 -17.825 -9.048 1.00 1.23 C ATOM 1459 CD1 ILE A 92 22.662 -16.922 -5.615 1.00 33.22 C ATOM 0 H ILE A 92 23.218 -14.453 -6.912 1.00 31.41 H new ATOM 0 HA ILE A 92 24.723 -15.564 -8.916 1.00 35.31 H new ATOM 0 HB ILE A 92 21.963 -16.448 -7.973 1.00 72.50 H new ATOM 0 HG12 ILE A 92 24.149 -17.898 -6.792 1.00 20.34 H new ATOM 0 HG13 ILE A 92 24.430 -16.185 -6.553 1.00 20.34 H new ATOM 0 HG21 ILE A 92 22.732 -18.705 -8.593 1.00 1.23 H new ATOM 0 HG22 ILE A 92 22.696 -17.613 -9.998 1.00 1.23 H new ATOM 0 HG23 ILE A 92 24.247 -18.013 -9.221 1.00 1.23 H new ATOM 0 HD11 ILE A 92 23.179 -17.138 -4.680 1.00 33.22 H new ATOM 0 HD12 ILE A 92 22.187 -15.943 -5.550 1.00 33.22 H new ATOM 0 HD13 ILE A 92 21.902 -17.683 -5.793 1.00 33.22 H new ATOM 1471 N ASP A 93 23.682 -15.337 -11.165 1.00 14.33 N ATOM 1472 CA ASP A 93 23.139 -15.100 -12.497 1.00 53.41 C ATOM 1473 C ASP A 93 22.968 -16.412 -13.256 1.00 63.42 C ATOM 1474 O ASP A 93 23.489 -16.576 -14.360 1.00 11.35 O ATOM 1475 CB ASP A 93 24.051 -14.157 -13.282 1.00 41.42 C ATOM 1476 CG ASP A 93 23.370 -13.581 -14.508 1.00 12.35 C ATOM 1477 OD1 ASP A 93 22.458 -14.242 -15.047 1.00 10.32 O1- ATOM 1478 OD2 ASP A 93 23.750 -12.467 -14.930 1.00 50.22 O ATOM 0 H ASP A 93 24.631 -15.710 -11.157 1.00 14.33 H new ATOM 0 HA ASP A 93 22.159 -14.636 -12.386 1.00 53.41 H new ATOM 0 HB2 ASP A 93 24.373 -13.343 -12.632 1.00 41.42 H new ATOM 0 HB3 ASP A 93 24.949 -14.695 -13.587 1.00 41.42 H new ATOM 1483 N VAL A 94 22.236 -17.346 -12.656 1.00 63.32 N ATOM 1484 CA VAL A 94 21.997 -18.645 -13.276 1.00 24.43 C ATOM 1485 C VAL A 94 21.392 -18.487 -14.666 1.00 62.43 C ATOM 1486 O VAL A 94 20.865 -17.430 -15.010 1.00 42.21 O ATOM 1487 CB VAL A 94 21.060 -19.513 -12.415 1.00 23.22 C ATOM 1488 CG1 VAL A 94 21.703 -19.822 -11.072 1.00 22.20 C ATOM 1489 CG2 VAL A 94 19.718 -18.822 -12.227 1.00 5.11 C ATOM 0 H VAL A 94 21.799 -17.228 -11.742 1.00 63.32 H new ATOM 0 HA VAL A 94 22.965 -19.140 -13.359 1.00 24.43 H new ATOM 0 HB VAL A 94 20.888 -20.456 -12.933 1.00 23.22 H new ATOM 0 HG11 VAL A 94 21.027 -20.436 -10.477 1.00 22.20 H new ATOM 0 HG12 VAL A 94 22.637 -20.361 -11.231 1.00 22.20 H new ATOM 0 HG13 VAL A 94 21.907 -18.891 -10.543 1.00 22.20 H new ATOM 0 HG21 VAL A 94 19.068 -19.449 -11.616 1.00 5.11 H new ATOM 0 HG22 VAL A 94 19.869 -17.864 -11.730 1.00 5.11 H new ATOM 0 HG23 VAL A 94 19.254 -18.658 -13.200 1.00 5.11 H new ATOM 1499 N LYS A 95 21.472 -19.548 -15.463 1.00 62.30 N ATOM 1500 CA LYS A 95 20.931 -19.530 -16.817 1.00 41.13 C ATOM 1501 C LYS A 95 19.495 -20.041 -16.836 1.00 32.30 C ATOM 1502 O LYS A 95 18.604 -19.398 -17.392 1.00 63.31 O ATOM 1503 CB LYS A 95 21.799 -20.382 -17.746 1.00 74.21 C ATOM 1504 CG LYS A 95 22.267 -19.644 -18.988 1.00 64.21 C ATOM 1505 CD LYS A 95 23.760 -19.363 -18.940 1.00 11.51 C ATOM 1506 CE LYS A 95 24.068 -18.131 -18.104 1.00 4.42 C ATOM 1507 NZ LYS A 95 25.486 -18.110 -17.649 1.00 43.13 N1+ ATOM 0 H LYS A 95 21.906 -20.431 -15.194 1.00 62.30 H new ATOM 0 HA LYS A 95 20.935 -18.499 -17.170 1.00 41.13 H new ATOM 0 HB2 LYS A 95 22.670 -20.735 -17.193 1.00 74.21 H new ATOM 0 HB3 LYS A 95 21.235 -21.264 -18.049 1.00 74.21 H new ATOM 0 HG2 LYS A 95 22.036 -20.236 -19.873 1.00 64.21 H new ATOM 0 HG3 LYS A 95 21.722 -18.705 -19.081 1.00 64.21 H new ATOM 0 HD2 LYS A 95 24.281 -20.226 -18.524 1.00 11.51 H new ATOM 0 HD3 LYS A 95 24.137 -19.221 -19.953 1.00 11.51 H new ATOM 0 HE2 LYS A 95 23.861 -17.234 -18.688 1.00 4.42 H new ATOM 0 HE3 LYS A 95 23.408 -18.106 -17.237 1.00 4.42 H new ATOM 0 HZ1 LYS A 95 25.656 -17.255 -17.082 1.00 43.13 H new ATOM 0 HZ2 LYS A 95 25.677 -18.953 -17.070 1.00 43.13 H new ATOM 0 HZ3 LYS A 95 26.116 -18.108 -18.476 1.00 43.13 H new ATOM 1521 N ASP A 96 19.276 -21.200 -16.223 1.00 31.04 N ATOM 1522 CA ASP A 96 17.946 -21.796 -16.167 1.00 11.13 C ATOM 1523 C ASP A 96 17.465 -21.917 -14.724 1.00 4.15 C ATOM 1524 O ASP A 96 18.196 -21.600 -13.785 1.00 64.13 O ATOM 1525 CB ASP A 96 17.952 -23.173 -16.833 1.00 22.25 C ATOM 1526 CG ASP A 96 19.247 -23.924 -16.595 1.00 3.41 C ATOM 1527 OD1 ASP A 96 19.559 -24.215 -15.421 1.00 45.41 O ATOM 1528 OD2 ASP A 96 19.949 -24.222 -17.584 1.00 74.54 O1- ATOM 0 H ASP A 96 20.002 -21.745 -15.758 1.00 31.04 H new ATOM 0 HA ASP A 96 17.259 -21.143 -16.706 1.00 11.13 H new ATOM 0 HB2 ASP A 96 17.118 -23.762 -16.451 1.00 22.25 H new ATOM 0 HB3 ASP A 96 17.795 -23.056 -17.905 1.00 22.25 H new ATOM 1533 N THR A 97 16.228 -22.375 -14.554 1.00 65.23 N ATOM 1534 CA THR A 97 15.649 -22.535 -13.227 1.00 74.45 C ATOM 1535 C THR A 97 16.352 -23.644 -12.450 1.00 12.24 C ATOM 1536 O THR A 97 16.403 -23.618 -11.220 1.00 11.23 O ATOM 1537 CB THR A 97 14.144 -22.855 -13.306 1.00 74.14 C ATOM 1538 OG1 THR A 97 13.486 -21.909 -14.155 1.00 1.24 O ATOM 1539 CG2 THR A 97 13.512 -22.829 -11.923 1.00 21.42 C ATOM 0 H THR A 97 15.609 -22.641 -15.319 1.00 65.23 H new ATOM 0 HA THR A 97 15.785 -21.587 -12.706 1.00 74.45 H new ATOM 0 HB THR A 97 14.029 -23.856 -13.721 1.00 74.14 H new ATOM 0 HG1 THR A 97 13.012 -22.384 -14.869 1.00 1.24 H new ATOM 0 HG21 THR A 97 12.449 -23.058 -12.004 1.00 21.42 H new ATOM 0 HG22 THR A 97 13.996 -23.571 -11.288 1.00 21.42 H new ATOM 0 HG23 THR A 97 13.637 -21.839 -11.484 1.00 21.42 H new ATOM 1547 N LYS A 98 16.894 -24.616 -13.175 1.00 54.21 N ATOM 1548 CA LYS A 98 17.596 -25.733 -12.556 1.00 25.45 C ATOM 1549 C LYS A 98 18.852 -25.254 -11.835 1.00 23.45 C ATOM 1550 O LYS A 98 19.092 -25.612 -10.682 1.00 53.30 O ATOM 1551 CB LYS A 98 17.968 -26.778 -13.610 1.00 4.11 C ATOM 1552 CG LYS A 98 17.300 -28.125 -13.394 1.00 44.42 C ATOM 1553 CD LYS A 98 18.313 -29.258 -13.415 1.00 0.24 C ATOM 1554 CE LYS A 98 18.715 -29.671 -12.007 1.00 4.54 C ATOM 1555 NZ LYS A 98 17.560 -30.204 -11.234 1.00 22.50 N1+ ATOM 0 H LYS A 98 16.860 -24.653 -14.194 1.00 54.21 H new ATOM 0 HA LYS A 98 16.928 -26.187 -11.824 1.00 25.45 H new ATOM 0 HB2 LYS A 98 17.695 -26.401 -14.596 1.00 4.11 H new ATOM 0 HB3 LYS A 98 19.049 -26.914 -13.609 1.00 4.11 H new ATOM 0 HG2 LYS A 98 16.774 -28.123 -12.439 1.00 44.42 H new ATOM 0 HG3 LYS A 98 16.552 -28.290 -14.169 1.00 44.42 H new ATOM 0 HD2 LYS A 98 17.892 -30.115 -13.941 1.00 0.24 H new ATOM 0 HD3 LYS A 98 19.197 -28.947 -13.971 1.00 0.24 H new ATOM 0 HE2 LYS A 98 19.497 -30.429 -12.060 1.00 4.54 H new ATOM 0 HE3 LYS A 98 19.137 -28.813 -11.484 1.00 4.54 H new ATOM 0 HZ1 LYS A 98 17.904 -30.855 -10.500 1.00 22.50 H new ATOM 0 HZ2 LYS A 98 17.049 -29.417 -10.786 1.00 22.50 H new ATOM 0 HZ3 LYS A 98 16.918 -30.713 -11.875 1.00 22.50 H new ATOM 1569 N GLU A 99 19.649 -24.440 -12.520 1.00 51.34 N ATOM 1570 CA GLU A 99 20.879 -23.911 -11.944 1.00 63.54 C ATOM 1571 C GLU A 99 20.598 -23.189 -10.630 1.00 50.10 C ATOM 1572 O GLU A 99 21.288 -23.399 -9.633 1.00 11.13 O ATOM 1573 CB GLU A 99 21.562 -22.958 -12.927 1.00 52.25 C ATOM 1574 CG GLU A 99 22.667 -23.611 -13.740 1.00 70.41 C ATOM 1575 CD GLU A 99 23.989 -23.653 -12.999 1.00 34.14 C ATOM 1576 OE1 GLU A 99 24.177 -24.574 -12.175 1.00 4.13 O ATOM 1577 OE2 GLU A 99 24.834 -22.767 -13.240 1.00 11.10 O1- ATOM 0 H GLU A 99 19.464 -24.133 -13.475 1.00 51.34 H new ATOM 0 HA GLU A 99 21.545 -24.750 -11.742 1.00 63.54 H new ATOM 0 HB2 GLU A 99 20.813 -22.553 -13.607 1.00 52.25 H new ATOM 0 HB3 GLU A 99 21.978 -22.116 -12.374 1.00 52.25 H new ATOM 0 HG2 GLU A 99 22.369 -24.626 -14.002 1.00 70.41 H new ATOM 0 HG3 GLU A 99 22.796 -23.066 -14.675 1.00 70.41 H new ATOM 1584 N ALA A 100 19.578 -22.335 -10.638 1.00 23.45 N ATOM 1585 CA ALA A 100 19.204 -21.582 -9.448 1.00 22.42 C ATOM 1586 C ALA A 100 18.841 -22.516 -8.298 1.00 2.25 C ATOM 1587 O ALA A 100 18.948 -22.147 -7.128 1.00 14.21 O ATOM 1588 CB ALA A 100 18.044 -20.647 -9.757 1.00 52.32 C ATOM 0 H ALA A 100 18.997 -22.148 -11.455 1.00 23.45 H new ATOM 0 HA ALA A 100 20.064 -20.987 -9.141 1.00 22.42 H new ATOM 0 HB1 ALA A 100 17.776 -20.091 -8.859 1.00 52.32 H new ATOM 0 HB2 ALA A 100 18.338 -19.949 -10.541 1.00 52.32 H new ATOM 0 HB3 ALA A 100 17.186 -21.230 -10.093 1.00 52.32 H new ATOM 1594 N LEU A 101 18.412 -23.726 -8.639 1.00 11.01 N ATOM 1595 CA LEU A 101 18.032 -24.714 -7.634 1.00 44.02 C ATOM 1596 C LEU A 101 19.264 -25.286 -6.941 1.00 63.24 C ATOM 1597 O LEU A 101 19.322 -25.355 -5.713 1.00 24.03 O ATOM 1598 CB LEU A 101 17.225 -25.842 -8.280 1.00 24.52 C ATOM 1599 CG LEU A 101 15.944 -26.251 -7.552 1.00 40.14 C ATOM 1600 CD1 LEU A 101 16.270 -26.847 -6.192 1.00 22.15 C ATOM 1601 CD2 LEU A 101 15.010 -25.060 -7.406 1.00 5.44 C ATOM 0 H LEU A 101 18.318 -24.047 -9.603 1.00 11.01 H new ATOM 0 HA LEU A 101 17.415 -24.217 -6.885 1.00 44.02 H new ATOM 0 HB2 LEU A 101 16.963 -25.540 -9.294 1.00 24.52 H new ATOM 0 HB3 LEU A 101 17.867 -26.719 -8.365 1.00 24.52 H new ATOM 0 HG LEU A 101 15.438 -27.012 -8.146 1.00 40.14 H new ATOM 0 HD11 LEU A 101 15.346 -27.132 -5.689 1.00 22.15 H new ATOM 0 HD12 LEU A 101 16.899 -27.728 -6.322 1.00 22.15 H new ATOM 0 HD13 LEU A 101 16.799 -26.109 -5.589 1.00 22.15 H new ATOM 0 HD21 LEU A 101 14.104 -25.370 -6.886 1.00 5.44 H new ATOM 0 HD22 LEU A 101 15.507 -24.276 -6.834 1.00 5.44 H new ATOM 0 HD23 LEU A 101 14.749 -24.679 -8.393 1.00 5.44 H new ATOM 1613 N ASP A 102 20.247 -25.695 -7.736 1.00 23.51 N ATOM 1614 CA ASP A 102 21.481 -26.259 -7.198 1.00 54.40 C ATOM 1615 C ASP A 102 22.227 -25.230 -6.356 1.00 23.01 C ATOM 1616 O ASP A 102 22.711 -25.537 -5.266 1.00 41.22 O ATOM 1617 CB ASP A 102 22.377 -26.754 -8.334 1.00 31.45 C ATOM 1618 CG ASP A 102 23.641 -27.419 -7.825 1.00 40.31 C ATOM 1619 OD1 ASP A 102 23.551 -28.205 -6.859 1.00 33.34 O ATOM 1620 OD2 ASP A 102 24.721 -27.155 -8.395 1.00 34.14 O1- ATOM 0 H ASP A 102 20.214 -25.647 -8.754 1.00 23.51 H new ATOM 0 HA ASP A 102 21.218 -27.102 -6.559 1.00 54.40 H new ATOM 0 HB2 ASP A 102 21.821 -27.460 -8.950 1.00 31.45 H new ATOM 0 HB3 ASP A 102 22.644 -25.914 -8.975 1.00 31.45 H new ATOM 1625 N LYS A 103 22.317 -24.007 -6.868 1.00 13.01 N ATOM 1626 CA LYS A 103 23.004 -22.931 -6.164 1.00 31.43 C ATOM 1627 C LYS A 103 22.434 -22.748 -4.761 1.00 31.54 C ATOM 1628 O LYS A 103 23.171 -22.770 -3.773 1.00 41.35 O ATOM 1629 CB LYS A 103 22.884 -21.623 -6.948 1.00 65.30 C ATOM 1630 CG LYS A 103 24.193 -20.858 -7.060 1.00 31.41 C ATOM 1631 CD LYS A 103 25.114 -21.477 -8.098 1.00 31.24 C ATOM 1632 CE LYS A 103 26.569 -21.408 -7.663 1.00 23.22 C ATOM 1633 NZ LYS A 103 27.222 -22.746 -7.693 1.00 74.24 N1+ ATOM 0 H LYS A 103 21.922 -23.736 -7.769 1.00 13.01 H new ATOM 0 HA LYS A 103 24.056 -23.201 -6.078 1.00 31.43 H new ATOM 0 HB2 LYS A 103 22.514 -21.842 -7.950 1.00 65.30 H new ATOM 0 HB3 LYS A 103 22.141 -20.987 -6.466 1.00 65.30 H new ATOM 0 HG2 LYS A 103 23.988 -19.821 -7.327 1.00 31.41 H new ATOM 0 HG3 LYS A 103 24.692 -20.845 -6.091 1.00 31.41 H new ATOM 0 HD2 LYS A 103 24.831 -22.517 -8.263 1.00 31.24 H new ATOM 0 HD3 LYS A 103 24.992 -20.959 -9.049 1.00 31.24 H new ATOM 0 HE2 LYS A 103 27.111 -20.725 -8.317 1.00 23.22 H new ATOM 0 HE3 LYS A 103 26.627 -20.998 -6.655 1.00 23.22 H new ATOM 0 HZ1 LYS A 103 28.213 -22.656 -7.390 1.00 74.24 H new ATOM 0 HZ2 LYS A 103 26.721 -23.392 -7.050 1.00 74.24 H new ATOM 0 HZ3 LYS A 103 27.189 -23.127 -8.660 1.00 74.24 H new ATOM 1647 N ILE A 104 21.120 -22.569 -4.679 1.00 24.04 N ATOM 1648 CA ILE A 104 20.453 -22.385 -3.396 1.00 13.02 C ATOM 1649 C ILE A 104 20.553 -23.642 -2.539 1.00 43.04 C ATOM 1650 O ILE A 104 20.501 -23.575 -1.312 1.00 41.41 O ATOM 1651 CB ILE A 104 18.968 -22.021 -3.581 1.00 4.23 C ATOM 1652 CG1 ILE A 104 18.834 -20.742 -4.411 1.00 30.41 C ATOM 1653 CG2 ILE A 104 18.291 -21.854 -2.229 1.00 23.50 C ATOM 1654 CD1 ILE A 104 17.414 -20.446 -4.840 1.00 40.14 C ATOM 0 H ILE A 104 20.496 -22.547 -5.486 1.00 24.04 H new ATOM 0 HA ILE A 104 20.961 -21.563 -2.892 1.00 13.02 H new ATOM 0 HB ILE A 104 18.474 -22.833 -4.115 1.00 4.23 H new ATOM 0 HG12 ILE A 104 19.212 -19.901 -3.831 1.00 30.41 H new ATOM 0 HG13 ILE A 104 19.463 -20.826 -5.297 1.00 30.41 H new ATOM 0 HG21 ILE A 104 17.242 -21.597 -2.377 1.00 23.50 H new ATOM 0 HG22 ILE A 104 18.361 -22.787 -1.669 1.00 23.50 H new ATOM 0 HG23 ILE A 104 18.784 -21.058 -1.671 1.00 23.50 H new ATOM 0 HD11 ILE A 104 17.395 -19.526 -5.424 1.00 40.14 H new ATOM 0 HD12 ILE A 104 17.038 -21.269 -5.448 1.00 40.14 H new ATOM 0 HD13 ILE A 104 16.784 -20.329 -3.958 1.00 40.14 H new ATOM 1666 N GLU A 105 20.699 -24.789 -3.196 1.00 21.32 N ATOM 1667 CA GLU A 105 20.808 -26.063 -2.493 1.00 13.30 C ATOM 1668 C GLU A 105 22.176 -26.203 -1.830 1.00 54.42 C ATOM 1669 O GLU A 105 22.299 -26.795 -0.759 1.00 13.42 O ATOM 1670 CB GLU A 105 20.575 -27.226 -3.460 1.00 3.31 C ATOM 1671 CG GLU A 105 20.399 -28.566 -2.768 1.00 35.24 C ATOM 1672 CD GLU A 105 21.575 -29.497 -2.992 1.00 34.45 C ATOM 1673 OE1 GLU A 105 22.713 -29.103 -2.665 1.00 20.21 O ATOM 1674 OE2 GLU A 105 21.356 -30.619 -3.493 1.00 71.42 O1- ATOM 0 H GLU A 105 20.744 -24.862 -4.212 1.00 21.32 H new ATOM 0 HA GLU A 105 20.043 -26.087 -1.717 1.00 13.30 H new ATOM 0 HB2 GLU A 105 19.689 -27.017 -4.060 1.00 3.31 H new ATOM 0 HB3 GLU A 105 21.418 -27.290 -4.148 1.00 3.31 H new ATOM 0 HG2 GLU A 105 20.267 -28.404 -1.698 1.00 35.24 H new ATOM 0 HG3 GLU A 105 19.489 -29.042 -3.132 1.00 35.24 H new ATOM 1681 N GLU A 106 23.199 -25.657 -2.478 1.00 4.22 N ATOM 1682 CA GLU A 106 24.558 -25.722 -1.953 1.00 15.20 C ATOM 1683 C GLU A 106 24.730 -24.773 -0.770 1.00 44.35 C ATOM 1684 O GLU A 106 25.321 -25.134 0.246 1.00 3.24 O ATOM 1685 CB GLU A 106 25.570 -25.380 -3.048 1.00 51.23 C ATOM 1686 CG GLU A 106 25.649 -26.422 -4.152 1.00 13.43 C ATOM 1687 CD GLU A 106 26.559 -27.581 -3.795 1.00 13.50 C ATOM 1688 OE1 GLU A 106 26.097 -28.501 -3.088 1.00 1.13 O ATOM 1689 OE2 GLU A 106 27.731 -27.569 -4.224 1.00 53.30 O1- ATOM 0 H GLU A 106 23.113 -25.165 -3.367 1.00 4.22 H new ATOM 0 HA GLU A 106 24.738 -26.740 -1.609 1.00 15.20 H new ATOM 0 HB2 GLU A 106 25.306 -24.418 -3.487 1.00 51.23 H new ATOM 0 HB3 GLU A 106 26.556 -25.265 -2.597 1.00 51.23 H new ATOM 0 HG2 GLU A 106 24.649 -26.801 -4.361 1.00 13.43 H new ATOM 0 HG3 GLU A 106 26.009 -25.951 -5.067 1.00 13.43 H new ATOM 1696 N GLU A 107 24.210 -23.558 -0.914 1.00 25.40 N ATOM 1697 CA GLU A 107 24.310 -22.556 0.141 1.00 12.22 C ATOM 1698 C GLU A 107 23.673 -23.062 1.432 1.00 13.34 C ATOM 1699 O GLU A 107 24.254 -22.943 2.510 1.00 62.55 O ATOM 1700 CB GLU A 107 23.635 -21.254 -0.297 1.00 30.21 C ATOM 1701 CG GLU A 107 24.559 -20.316 -1.055 1.00 60.11 C ATOM 1702 CD GLU A 107 25.423 -19.478 -0.134 1.00 4.34 C ATOM 1703 OE1 GLU A 107 25.215 -19.542 1.096 1.00 51.22 O ATOM 1704 OE2 GLU A 107 26.308 -18.757 -0.641 1.00 11.42 O1- ATOM 0 H GLU A 107 23.716 -23.244 -1.749 1.00 25.40 H new ATOM 0 HA GLU A 107 25.367 -22.365 0.327 1.00 12.22 H new ATOM 0 HB2 GLU A 107 22.777 -21.493 -0.926 1.00 30.21 H new ATOM 0 HB3 GLU A 107 23.251 -20.739 0.584 1.00 30.21 H new ATOM 0 HG2 GLU A 107 25.199 -20.899 -1.717 1.00 60.11 H new ATOM 0 HG3 GLU A 107 23.963 -19.657 -1.687 1.00 60.11 H new ATOM 1711 N GLN A 108 22.475 -23.625 1.314 1.00 54.13 N ATOM 1712 CA GLN A 108 21.758 -24.148 2.471 1.00 32.02 C ATOM 1713 C GLN A 108 22.574 -25.227 3.174 1.00 21.21 C ATOM 1714 O GLN A 108 22.572 -25.320 4.401 1.00 21.20 O ATOM 1715 CB GLN A 108 20.402 -24.712 2.045 1.00 35.54 C ATOM 1716 CG GLN A 108 19.306 -23.663 1.959 1.00 1.24 C ATOM 1717 CD GLN A 108 18.867 -23.163 3.321 1.00 2.22 C ATOM 1718 OE1 GLN A 108 18.286 -23.908 4.111 1.00 31.33 O ATOM 1719 NE2 GLN A 108 19.144 -21.895 3.605 1.00 73.13 N ATOM 0 H GLN A 108 21.980 -23.731 0.428 1.00 54.13 H new ATOM 0 HA GLN A 108 21.598 -23.327 3.170 1.00 32.02 H new ATOM 0 HB2 GLN A 108 20.508 -25.195 1.074 1.00 35.54 H new ATOM 0 HB3 GLN A 108 20.100 -25.483 2.753 1.00 35.54 H new ATOM 0 HG2 GLN A 108 19.660 -22.821 1.364 1.00 1.24 H new ATOM 0 HG3 GLN A 108 18.447 -24.083 1.436 1.00 1.24 H new ATOM 0 HE21 GLN A 108 19.627 -21.313 2.921 1.00 73.13 H new ATOM 0 HE22 GLN A 108 18.873 -21.504 4.507 1.00 73.13 H new ATOM 1728 N ASN A 109 23.271 -26.043 2.388 1.00 13.44 N ATOM 1729 CA ASN A 109 24.090 -27.117 2.935 1.00 12.30 C ATOM 1730 C ASN A 109 25.268 -26.554 3.726 1.00 32.15 C ATOM 1731 O ASN A 109 25.776 -27.196 4.644 1.00 63.30 O ATOM 1732 CB ASN A 109 24.602 -28.020 1.811 1.00 73.02 C ATOM 1733 CG ASN A 109 24.272 -29.481 2.048 1.00 1.11 C ATOM 1734 OD1 ASN A 109 23.212 -29.963 1.646 1.00 14.35 O ATOM 1735 ND2 ASN A 109 25.181 -30.194 2.702 1.00 72.13 N ATOM 0 H ASN A 109 23.284 -25.980 1.370 1.00 13.44 H new ATOM 0 HA ASN A 109 23.469 -27.705 3.610 1.00 12.30 H new ATOM 0 HB2 ASN A 109 24.166 -27.701 0.865 1.00 73.02 H new ATOM 0 HB3 ASN A 109 25.682 -27.904 1.719 1.00 73.02 H new ATOM 0 HD21 ASN A 109 25.015 -31.183 2.890 1.00 72.13 H new ATOM 0 HD22 ASN A 109 26.045 -29.753 3.017 1.00 72.13 H new ATOM 1742 N LYS A 110 25.694 -25.350 3.363 1.00 43.01 N ATOM 1743 CA LYS A 110 26.811 -24.697 4.038 1.00 35.40 C ATOM 1744 C LYS A 110 26.371 -24.117 5.379 1.00 34.13 C ATOM 1745 O LYS A 110 27.094 -24.206 6.371 1.00 72.11 O ATOM 1746 CB LYS A 110 27.390 -23.589 3.157 1.00 40.34 C ATOM 1747 CG LYS A 110 28.696 -23.017 3.679 1.00 4.23 C ATOM 1748 CD LYS A 110 28.537 -21.570 4.113 1.00 42.40 C ATOM 1749 CE LYS A 110 29.818 -20.779 3.899 1.00 45.52 C ATOM 1750 NZ LYS A 110 30.108 -19.872 5.043 1.00 23.15 N1+ ATOM 0 H LYS A 110 25.283 -24.805 2.605 1.00 43.01 H new ATOM 0 HA LYS A 110 27.581 -25.447 4.220 1.00 35.40 H new ATOM 0 HB2 LYS A 110 27.551 -23.981 2.153 1.00 40.34 H new ATOM 0 HB3 LYS A 110 26.659 -22.785 3.072 1.00 40.34 H new ATOM 0 HG2 LYS A 110 29.045 -23.614 4.521 1.00 4.23 H new ATOM 0 HG3 LYS A 110 29.459 -23.083 2.904 1.00 4.23 H new ATOM 0 HD2 LYS A 110 27.725 -21.108 3.552 1.00 42.40 H new ATOM 0 HD3 LYS A 110 28.257 -21.534 5.166 1.00 42.40 H new ATOM 0 HE2 LYS A 110 30.651 -21.468 3.762 1.00 45.52 H new ATOM 0 HE3 LYS A 110 29.734 -20.193 2.984 1.00 45.52 H new ATOM 0 HZ1 LYS A 110 30.989 -19.351 4.858 1.00 23.15 H new ATOM 0 HZ2 LYS A 110 29.325 -19.198 5.159 1.00 23.15 H new ATOM 0 HZ3 LYS A 110 30.213 -20.433 5.913 1.00 23.15 H new ATOM 1764 N SER A 111 25.181 -23.524 5.400 1.00 65.41 N ATOM 1765 CA SER A 111 24.647 -22.927 6.619 1.00 44.13 C ATOM 1766 C SER A 111 24.200 -24.005 7.602 1.00 61.44 C ATOM 1767 O SER A 111 24.407 -23.886 8.810 1.00 51.21 O ATOM 1768 CB SER A 111 23.471 -22.005 6.287 1.00 65.45 C ATOM 1769 OG SER A 111 23.882 -20.936 5.454 1.00 42.15 O ATOM 0 H SER A 111 24.569 -23.444 4.588 1.00 65.41 H new ATOM 0 HA SER A 111 25.440 -22.341 7.085 1.00 44.13 H new ATOM 0 HB2 SER A 111 22.686 -22.576 5.791 1.00 65.45 H new ATOM 0 HB3 SER A 111 23.044 -21.609 7.208 1.00 65.45 H new ATOM 0 HG SER A 111 23.113 -20.362 5.255 1.00 42.15 H new ATOM 1775 N LYS A 112 23.587 -25.060 7.075 1.00 1.33 N ATOM 1776 CA LYS A 112 23.112 -26.161 7.903 1.00 54.04 C ATOM 1777 C LYS A 112 24.280 -26.967 8.461 1.00 63.41 C ATOM 1778 O LYS A 112 24.202 -27.515 9.561 1.00 0.21 O ATOM 1779 CB LYS A 112 22.190 -27.076 7.091 1.00 25.02 C ATOM 1780 CG LYS A 112 21.701 -28.287 7.865 1.00 55.21 C ATOM 1781 CD LYS A 112 20.340 -28.750 7.373 1.00 60.42 C ATOM 1782 CE LYS A 112 20.463 -29.614 6.126 1.00 55.32 C ATOM 1783 NZ LYS A 112 20.343 -31.064 6.442 1.00 74.15 N1+ ATOM 0 H LYS A 112 23.408 -25.175 6.077 1.00 1.33 H new ATOM 0 HA LYS A 112 22.553 -25.739 8.738 1.00 54.04 H new ATOM 0 HB2 LYS A 112 21.329 -26.501 6.751 1.00 25.02 H new ATOM 0 HB3 LYS A 112 22.720 -27.414 6.200 1.00 25.02 H new ATOM 0 HG2 LYS A 112 22.421 -29.099 7.765 1.00 55.21 H new ATOM 0 HG3 LYS A 112 21.642 -28.043 8.926 1.00 55.21 H new ATOM 0 HD2 LYS A 112 19.840 -29.314 8.160 1.00 60.42 H new ATOM 0 HD3 LYS A 112 19.716 -27.883 7.156 1.00 60.42 H new ATOM 0 HE2 LYS A 112 19.689 -29.333 5.412 1.00 55.32 H new ATOM 0 HE3 LYS A 112 21.423 -29.425 5.647 1.00 55.32 H new ATOM 0 HZ1 LYS A 112 20.432 -31.619 5.567 1.00 74.15 H new ATOM 0 HZ2 LYS A 112 21.097 -31.339 7.104 1.00 74.15 H new ATOM 0 HZ3 LYS A 112 19.416 -31.249 6.876 1.00 74.15 H new ATOM 1797 N LYS A 113 25.365 -27.034 7.696 1.00 24.40 N ATOM 1798 CA LYS A 113 26.553 -27.770 8.115 1.00 13.43 C ATOM 1799 C LYS A 113 27.123 -27.192 9.407 1.00 53.03 C ATOM 1800 O LYS A 113 27.764 -27.898 10.185 1.00 43.01 O ATOM 1801 CB LYS A 113 27.616 -27.733 7.014 1.00 12.23 C ATOM 1802 CG LYS A 113 27.649 -28.987 6.159 1.00 4.44 C ATOM 1803 CD LYS A 113 28.299 -28.725 4.811 1.00 45.13 C ATOM 1804 CE LYS A 113 29.809 -28.902 4.877 1.00 11.11 C ATOM 1805 NZ LYS A 113 30.189 -30.301 5.213 1.00 72.43 N1+ ATOM 0 H LYS A 113 25.446 -26.588 6.783 1.00 24.40 H new ATOM 0 HA LYS A 113 26.264 -28.805 8.297 1.00 13.43 H new ATOM 0 HB2 LYS A 113 27.433 -26.871 6.373 1.00 12.23 H new ATOM 0 HB3 LYS A 113 28.595 -27.589 7.471 1.00 12.23 H new ATOM 0 HG2 LYS A 113 28.197 -29.771 6.682 1.00 4.44 H new ATOM 0 HG3 LYS A 113 26.633 -29.353 6.009 1.00 4.44 H new ATOM 0 HD2 LYS A 113 27.884 -29.405 4.067 1.00 45.13 H new ATOM 0 HD3 LYS A 113 28.064 -27.712 4.483 1.00 45.13 H new ATOM 0 HE2 LYS A 113 30.249 -28.626 3.919 1.00 11.11 H new ATOM 0 HE3 LYS A 113 30.222 -28.224 5.624 1.00 11.11 H new ATOM 0 HZ1 LYS A 113 30.834 -30.670 4.485 1.00 72.43 H new ATOM 0 HZ2 LYS A 113 30.664 -30.319 6.138 1.00 72.43 H new ATOM 0 HZ3 LYS A 113 29.335 -30.893 5.251 1.00 72.43 H new ATOM 1819 N LYS A 114 26.884 -25.904 9.630 1.00 63.25 N ATOM 1820 CA LYS A 114 27.371 -25.232 10.828 1.00 22.12 C ATOM 1821 C LYS A 114 26.485 -25.550 12.029 1.00 44.53 C ATOM 1822 O LYS A 114 26.974 -25.722 13.145 1.00 65.33 O ATOM 1823 CB LYS A 114 27.422 -23.719 10.604 1.00 11.14 C ATOM 1824 CG LYS A 114 28.601 -23.043 11.282 1.00 44.51 C ATOM 1825 CD LYS A 114 28.365 -21.551 11.453 1.00 23.34 C ATOM 1826 CE LYS A 114 29.656 -20.761 11.295 1.00 14.41 C ATOM 1827 NZ LYS A 114 29.396 -19.306 11.116 1.00 35.21 N1+ ATOM 0 H LYS A 114 26.356 -25.305 8.996 1.00 63.25 H new ATOM 0 HA LYS A 114 28.377 -25.596 11.035 1.00 22.12 H new ATOM 0 HB2 LYS A 114 27.466 -23.520 9.533 1.00 11.14 H new ATOM 0 HB3 LYS A 114 26.498 -23.274 10.973 1.00 11.14 H new ATOM 0 HG2 LYS A 114 28.772 -23.499 12.257 1.00 44.51 H new ATOM 0 HG3 LYS A 114 29.503 -23.204 10.692 1.00 44.51 H new ATOM 0 HD2 LYS A 114 27.636 -21.210 10.718 1.00 23.34 H new ATOM 0 HD3 LYS A 114 27.938 -21.359 12.437 1.00 23.34 H new ATOM 0 HE2 LYS A 114 30.284 -20.913 12.173 1.00 14.41 H new ATOM 0 HE3 LYS A 114 30.211 -21.139 10.436 1.00 14.41 H new ATOM 0 HZ1 LYS A 114 30.300 -18.802 11.012 1.00 35.21 H new ATOM 0 HZ2 LYS A 114 28.817 -19.159 10.264 1.00 35.21 H new ATOM 0 HZ3 LYS A 114 28.889 -18.939 11.947 1.00 35.21 H new ATOM 1841 N ALA A 115 25.179 -25.626 11.791 1.00 23.41 N ATOM 1842 CA ALA A 115 24.226 -25.927 12.852 1.00 24.41 C ATOM 1843 C ALA A 115 24.467 -27.318 13.428 1.00 51.53 C ATOM 1844 O ALA A 115 24.243 -27.555 14.614 1.00 33.14 O ATOM 1845 CB ALA A 115 22.802 -25.808 12.331 1.00 14.21 C ATOM 0 H ALA A 115 24.758 -25.483 10.873 1.00 23.41 H new ATOM 0 HA ALA A 115 24.370 -25.202 13.653 1.00 24.41 H new ATOM 0 HB1 ALA A 115 22.101 -26.035 13.134 1.00 14.21 H new ATOM 0 HB2 ALA A 115 22.629 -24.793 11.975 1.00 14.21 H new ATOM 0 HB3 ALA A 115 22.655 -26.511 11.511 1.00 14.21 H new ATOM 1851 N GLN A 116 24.923 -28.234 12.579 1.00 73.02 N ATOM 1852 CA GLN A 116 25.192 -29.602 13.005 1.00 55.13 C ATOM 1853 C GLN A 116 26.651 -29.973 12.760 1.00 12.43 C ATOM 1854 O GLN A 116 26.966 -31.123 12.463 1.00 70.42 O ATOM 1855 CB GLN A 116 24.274 -30.578 12.266 1.00 44.13 C ATOM 1856 CG GLN A 116 24.317 -30.426 10.753 1.00 0.03 C ATOM 1857 CD GLN A 116 24.635 -31.727 10.043 1.00 22.35 C ATOM 1858 OE1 GLN A 116 25.813 -31.797 9.435 1.00 1.41 O flip ATOM 1859 NE2 GLN A 116 23.831 -32.660 10.043 1.00 73.11 N flip ATOM 0 H GLN A 116 25.114 -28.053 11.593 1.00 73.02 H new ATOM 0 HA GLN A 116 24.995 -29.668 14.075 1.00 55.13 H new ATOM 0 HB2 GLN A 116 24.555 -31.598 12.529 1.00 44.13 H new ATOM 0 HB3 GLN A 116 23.250 -30.431 12.609 1.00 44.13 H new ATOM 0 HG2 GLN A 116 23.356 -30.051 10.402 1.00 0.03 H new ATOM 0 HG3 GLN A 116 25.066 -29.680 10.488 1.00 0.03 H new ATOM 0 HE21 GLN A 116 22.937 -32.562 10.523 1.00 73.11 H new ATOM 0 HE22 GLN A 116 24.060 -33.530 9.563 1.00 73.11 H new ATOM 1868 N GLN A 117 27.534 -28.988 12.887 1.00 63.34 N ATOM 1869 CA GLN A 117 28.960 -29.210 12.679 1.00 71.34 C ATOM 1870 C GLN A 117 29.456 -30.386 13.514 1.00 53.24 C ATOM 1871 O GLN A 117 30.356 -31.117 13.102 1.00 22.31 O ATOM 1872 CB GLN A 117 29.752 -27.950 13.031 1.00 54.15 C ATOM 1873 CG GLN A 117 29.777 -27.644 14.519 1.00 21.23 C ATOM 1874 CD GLN A 117 30.565 -26.391 14.844 1.00 2.52 C ATOM 1875 OE1 GLN A 117 31.399 -25.945 14.055 1.00 43.33 O ATOM 1876 NE2 GLN A 117 30.305 -25.813 16.012 1.00 43.30 N ATOM 0 H GLN A 117 27.287 -28.029 13.133 1.00 63.34 H new ATOM 0 HA GLN A 117 29.114 -29.445 11.626 1.00 71.34 H new ATOM 0 HB2 GLN A 117 30.776 -28.063 12.674 1.00 54.15 H new ATOM 0 HB3 GLN A 117 29.322 -27.100 12.501 1.00 54.15 H new ATOM 0 HG2 GLN A 117 28.755 -27.529 14.880 1.00 21.23 H new ATOM 0 HG3 GLN A 117 30.210 -28.490 15.053 1.00 21.23 H new ATOM 0 HE21 GLN A 117 29.606 -26.216 16.636 1.00 43.30 H new ATOM 0 HE22 GLN A 117 30.804 -24.966 16.284 1.00 43.30 H new ATOM 1885 N ALA A 118 28.861 -30.562 14.690 1.00 63.31 N ATOM 1886 CA ALA A 118 29.241 -31.650 15.583 1.00 40.24 C ATOM 1887 C ALA A 118 28.778 -32.996 15.035 1.00 70.12 C ATOM 1888 O ALA A 118 29.478 -34.002 15.160 1.00 44.42 O ATOM 1889 CB ALA A 118 28.666 -31.418 16.972 1.00 41.30 C ATOM 0 H ALA A 118 28.114 -29.965 15.046 1.00 63.31 H new ATOM 0 HA ALA A 118 30.329 -31.669 15.651 1.00 40.24 H new ATOM 0 HB1 ALA A 118 28.958 -32.238 17.628 1.00 41.30 H new ATOM 0 HB2 ALA A 118 29.049 -30.479 17.372 1.00 41.30 H new ATOM 0 HB3 ALA A 118 27.579 -31.370 16.912 1.00 41.30 H new ATOM 1895 N ALA A 119 27.596 -33.008 14.429 1.00 73.55 N ATOM 1896 CA ALA A 119 27.040 -34.232 13.862 1.00 45.33 C ATOM 1897 C ALA A 119 27.728 -34.588 12.547 1.00 13.13 C ATOM 1898 O ALA A 119 27.768 -35.753 12.153 1.00 23.44 O ATOM 1899 CB ALA A 119 25.541 -34.083 13.653 1.00 41.21 C ATOM 0 H ALA A 119 27.004 -32.185 14.318 1.00 73.55 H new ATOM 0 HA ALA A 119 27.218 -35.044 14.567 1.00 45.33 H new ATOM 0 HB1 ALA A 119 25.139 -35.004 13.229 1.00 41.21 H new ATOM 0 HB2 ALA A 119 25.058 -33.883 14.610 1.00 41.21 H new ATOM 0 HB3 ALA A 119 25.349 -33.256 12.970 1.00 41.21 H new ATOM 1905 N ALA A 120 28.264 -33.576 11.872 1.00 61.34 N ATOM 1906 CA ALA A 120 28.949 -33.783 10.602 1.00 22.44 C ATOM 1907 C ALA A 120 30.392 -34.225 10.824 1.00 41.32 C ATOM 1908 O ALA A 120 30.925 -35.038 10.069 1.00 61.03 O ATOM 1909 CB ALA A 120 28.906 -32.513 9.766 1.00 32.24 C ATOM 0 H ALA A 120 28.237 -32.605 12.184 1.00 61.34 H new ATOM 0 HA ALA A 120 28.432 -34.577 10.063 1.00 22.44 H new ATOM 0 HB1 ALA A 120 29.421 -32.682 8.821 1.00 32.24 H new ATOM 0 HB2 ALA A 120 27.869 -32.241 9.570 1.00 32.24 H new ATOM 0 HB3 ALA A 120 29.397 -31.704 10.307 1.00 32.24 H new ATOM 1915 N ASP A 121 31.019 -33.683 11.861 1.00 24.44 N ATOM 1916 CA ASP A 121 32.402 -34.021 12.182 1.00 74.12 C ATOM 1917 C ASP A 121 32.486 -34.750 13.519 1.00 61.11 C ATOM 1918 O ASP A 121 33.100 -34.261 14.468 1.00 72.04 O ATOM 1919 CB ASP A 121 33.263 -32.758 12.220 1.00 52.31 C ATOM 1920 CG ASP A 121 33.635 -32.269 10.834 1.00 55.40 C ATOM 1921 OD1 ASP A 121 34.052 -33.102 10.004 1.00 52.13 O1- ATOM 1922 OD2 ASP A 121 33.508 -31.053 10.581 1.00 5.20 O ATOM 0 H ASP A 121 30.592 -33.007 12.495 1.00 24.44 H new ATOM 0 HA ASP A 121 32.779 -34.684 11.403 1.00 74.12 H new ATOM 0 HB2 ASP A 121 32.725 -31.971 12.748 1.00 52.31 H new ATOM 0 HB3 ASP A 121 34.172 -32.958 12.788 1.00 52.31 H new ATOM 1927 N THR A 122 31.864 -35.924 13.588 1.00 21.55 N ATOM 1928 CA THR A 122 31.867 -36.719 14.810 1.00 42.41 C ATOM 1929 C THR A 122 33.229 -37.364 15.042 1.00 63.41 C ATOM 1930 O THR A 122 34.142 -37.218 14.231 1.00 22.01 O ATOM 1931 CB THR A 122 30.792 -37.821 14.765 1.00 12.14 C ATOM 1932 OG1 THR A 122 29.962 -37.649 13.611 1.00 51.10 O ATOM 1933 CG2 THR A 122 29.934 -37.790 16.022 1.00 42.31 C ATOM 0 H THR A 122 31.352 -36.344 12.812 1.00 21.55 H new ATOM 0 HA THR A 122 31.645 -36.038 15.631 1.00 42.41 H new ATOM 0 HB THR A 122 31.294 -38.787 14.710 1.00 12.14 H new ATOM 0 HG1 THR A 122 29.282 -38.354 13.589 1.00 51.10 H new ATOM 0 HG21 THR A 122 29.182 -38.577 15.968 1.00 42.31 H new ATOM 0 HG22 THR A 122 30.564 -37.950 16.897 1.00 42.31 H new ATOM 0 HG23 THR A 122 29.441 -36.821 16.102 1.00 42.31 H new ATOM 1941 N GLY A 123 33.358 -38.078 16.157 1.00 62.23 N ATOM 1942 CA GLY A 123 34.611 -38.735 16.475 1.00 61.44 C ATOM 1943 C GLY A 123 34.842 -39.981 15.643 1.00 53.20 C ATOM 1944 O GLY A 123 35.920 -40.171 15.081 1.00 14.42 O ATOM 0 H GLY A 123 32.617 -38.212 16.845 1.00 62.23 H new ATOM 0 HA2 GLY A 123 35.434 -38.038 16.315 1.00 61.44 H new ATOM 0 HA3 GLY A 123 34.620 -39.001 17.532 1.00 61.44 H new ATOM 1948 N ASN A 124 33.826 -40.834 15.564 1.00 73.20 N ATOM 1949 CA ASN A 124 33.923 -42.070 14.795 1.00 21.42 C ATOM 1950 C ASN A 124 32.853 -42.120 13.708 1.00 64.20 C ATOM 1951 O ASN A 124 32.040 -43.043 13.665 1.00 5.25 O ATOM 1952 CB ASN A 124 33.784 -43.282 15.719 1.00 30.23 C ATOM 1953 CG ASN A 124 32.769 -43.054 16.823 1.00 20.33 C ATOM 1954 OD1 ASN A 124 31.567 -42.976 16.571 1.00 52.02 O ATOM 1955 ND2 ASN A 124 33.251 -42.946 18.056 1.00 1.00 N ATOM 0 H ASN A 124 32.926 -40.692 16.023 1.00 73.20 H new ATOM 0 HA ASN A 124 34.902 -42.096 14.317 1.00 21.42 H new ATOM 0 HB2 ASN A 124 33.489 -44.151 15.132 1.00 30.23 H new ATOM 0 HB3 ASN A 124 34.753 -43.511 16.162 1.00 30.23 H new ATOM 0 HD21 ASN A 124 32.617 -42.792 18.840 1.00 1.00 H new ATOM 0 HD22 ASN A 124 34.255 -43.017 18.219 1.00 1.00 H new ATOM 1962 N ASN A 125 32.862 -41.122 12.831 1.00 45.31 N ATOM 1963 CA ASN A 125 31.894 -41.052 11.742 1.00 34.34 C ATOM 1964 C ASN A 125 32.040 -42.248 10.807 1.00 30.12 C ATOM 1965 O ASN A 125 33.142 -42.754 10.597 1.00 62.32 O ATOM 1966 CB ASN A 125 32.071 -39.751 10.957 1.00 0.25 C ATOM 1967 CG ASN A 125 31.182 -39.691 9.729 1.00 23.51 C ATOM 1968 OD1 ASN A 125 31.654 -39.833 8.601 1.00 1.14 O ATOM 1969 ND2 ASN A 125 29.890 -39.479 9.945 1.00 75.34 N ATOM 0 H ASN A 125 33.529 -40.350 12.853 1.00 45.31 H new ATOM 0 HA ASN A 125 30.894 -41.073 12.176 1.00 34.34 H new ATOM 0 HB2 ASN A 125 31.847 -38.905 11.606 1.00 0.25 H new ATOM 0 HB3 ASN A 125 33.113 -39.652 10.653 1.00 0.25 H new ATOM 0 HD21 ASN A 125 29.243 -39.428 9.158 1.00 75.34 H new ATOM 0 HD22 ASN A 125 29.544 -39.367 10.898 1.00 75.34 H new ATOM 1976 N SER A 126 30.919 -42.694 10.247 1.00 65.23 N ATOM 1977 CA SER A 126 30.922 -43.833 9.336 1.00 50.22 C ATOM 1978 C SER A 126 30.359 -43.439 7.973 1.00 20.31 C ATOM 1979 O SER A 126 29.412 -42.658 7.884 1.00 61.31 O ATOM 1980 CB SER A 126 30.106 -44.985 9.924 1.00 10.43 C ATOM 1981 OG SER A 126 29.641 -45.853 8.904 1.00 34.15 O ATOM 0 H SER A 126 29.999 -42.284 10.408 1.00 65.23 H new ATOM 0 HA SER A 126 31.954 -44.159 9.203 1.00 50.22 H new ATOM 0 HB2 SER A 126 30.718 -45.545 10.631 1.00 10.43 H new ATOM 0 HB3 SER A 126 29.258 -44.587 10.482 1.00 10.43 H new ATOM 0 HG SER A 126 29.124 -46.582 9.306 1.00 34.15 H new ATOM 1987 N GLN A 127 30.950 -43.985 6.916 1.00 64.35 N ATOM 1988 CA GLN A 127 30.509 -43.691 5.557 1.00 11.44 C ATOM 1989 C GLN A 127 29.624 -44.810 5.018 1.00 0.22 C ATOM 1990 O GLN A 127 29.739 -45.962 5.436 1.00 14.44 O ATOM 1991 CB GLN A 127 31.715 -43.492 4.638 1.00 20.04 C ATOM 1992 CG GLN A 127 32.324 -42.102 4.727 1.00 3.14 C ATOM 1993 CD GLN A 127 32.951 -41.654 3.421 1.00 33.54 C ATOM 1994 OE1 GLN A 127 32.510 -42.050 2.341 1.00 5.02 O ATOM 1995 NE2 GLN A 127 33.984 -40.824 3.513 1.00 53.33 N ATOM 0 H GLN A 127 31.735 -44.633 6.974 1.00 64.35 H new ATOM 0 HA GLN A 127 29.925 -42.771 5.583 1.00 11.44 H new ATOM 0 HB2 GLN A 127 32.477 -44.230 4.887 1.00 20.04 H new ATOM 0 HB3 GLN A 127 31.412 -43.682 3.608 1.00 20.04 H new ATOM 0 HG2 GLN A 127 31.552 -41.389 5.018 1.00 3.14 H new ATOM 0 HG3 GLN A 127 33.081 -42.091 5.511 1.00 3.14 H new ATOM 0 HE21 GLN A 127 34.316 -40.522 4.429 1.00 53.33 H new ATOM 0 HE22 GLN A 127 34.446 -40.489 2.668 1.00 53.33 H new ATOM 2004 N VAL A 128 28.740 -44.462 4.088 1.00 63.01 N ATOM 2005 CA VAL A 128 27.835 -45.437 3.490 1.00 33.20 C ATOM 2006 C VAL A 128 28.163 -45.661 2.019 1.00 50.23 C ATOM 2007 O VAL A 128 28.588 -44.741 1.319 1.00 75.10 O ATOM 2008 CB VAL A 128 26.366 -44.990 3.616 1.00 23.54 C ATOM 2009 CG1 VAL A 128 25.997 -44.777 5.077 1.00 55.15 C ATOM 2010 CG2 VAL A 128 26.123 -43.726 2.807 1.00 45.41 C ATOM 0 H VAL A 128 28.631 -43.512 3.732 1.00 63.01 H new ATOM 0 HA VAL A 128 27.970 -46.371 4.035 1.00 33.20 H new ATOM 0 HB VAL A 128 25.728 -45.778 3.216 1.00 23.54 H new ATOM 0 HG11 VAL A 128 24.956 -44.462 5.147 1.00 55.15 H new ATOM 0 HG12 VAL A 128 26.131 -45.709 5.626 1.00 55.15 H new ATOM 0 HG13 VAL A 128 26.639 -44.008 5.506 1.00 55.15 H new ATOM 0 HG21 VAL A 128 25.080 -43.425 2.907 1.00 45.41 H new ATOM 0 HG22 VAL A 128 26.768 -42.929 3.175 1.00 45.41 H new ATOM 0 HG23 VAL A 128 26.346 -43.917 1.757 1.00 45.41 H new ATOM 2020 N SER A 129 27.962 -46.890 1.554 1.00 71.31 N ATOM 2021 CA SER A 129 28.239 -47.236 0.164 1.00 32.54 C ATOM 2022 C SER A 129 26.943 -47.378 -0.629 1.00 2.01 C ATOM 2023 O SER A 129 25.856 -47.121 -0.112 1.00 70.15 O ATOM 2024 CB SER A 129 29.040 -48.538 0.091 1.00 1.01 C ATOM 2025 OG SER A 129 30.318 -48.384 0.684 1.00 30.11 O ATOM 0 H SER A 129 27.609 -47.662 2.119 1.00 71.31 H new ATOM 0 HA SER A 129 28.827 -46.430 -0.275 1.00 32.54 H new ATOM 0 HB2 SER A 129 28.494 -49.334 0.598 1.00 1.01 H new ATOM 0 HB3 SER A 129 29.153 -48.842 -0.950 1.00 1.01 H new ATOM 0 HG SER A 129 30.809 -49.230 0.626 1.00 30.11 H new ATOM 2031 N GLN A 130 27.069 -47.788 -1.887 1.00 14.12 N ATOM 2032 CA GLN A 130 25.909 -47.963 -2.752 1.00 34.13 C ATOM 2033 C GLN A 130 26.305 -48.627 -4.067 1.00 41.30 C ATOM 2034 O GLN A 130 25.886 -49.745 -4.359 1.00 51.42 O ATOM 2035 CB GLN A 130 25.244 -46.613 -3.028 1.00 71.25 C ATOM 2036 CG GLN A 130 23.884 -46.458 -2.366 1.00 44.32 C ATOM 2037 CD GLN A 130 22.761 -47.055 -3.191 1.00 64.02 C ATOM 2038 OE1 GLN A 130 22.141 -46.370 -4.005 1.00 15.25 O ATOM 2039 NE2 GLN A 130 22.494 -48.340 -2.986 1.00 3.33 N ATOM 0 H GLN A 130 27.962 -48.005 -2.329 1.00 14.12 H new ATOM 0 HA GLN A 130 25.199 -48.612 -2.239 1.00 34.13 H new ATOM 0 HB2 GLN A 130 25.901 -45.816 -2.680 1.00 71.25 H new ATOM 0 HB3 GLN A 130 25.131 -46.486 -4.105 1.00 71.25 H new ATOM 0 HG2 GLN A 130 23.904 -46.937 -1.387 1.00 44.32 H new ATOM 0 HG3 GLN A 130 23.684 -45.400 -2.199 1.00 44.32 H new ATOM 0 HE21 GLN A 130 23.033 -48.870 -2.301 1.00 3.33 H new ATOM 0 HE22 GLN A 130 21.750 -48.797 -3.513 1.00 3.33 H new ATOM 2048 N ASN A 131 27.115 -47.928 -4.855 1.00 74.14 N ATOM 2049 CA ASN A 131 27.568 -48.450 -6.140 1.00 41.44 C ATOM 2050 C ASN A 131 26.389 -48.669 -7.084 1.00 1.02 C ATOM 2051 O ASN A 131 25.237 -48.428 -6.721 1.00 51.34 O ATOM 2052 CB ASN A 131 28.328 -49.762 -5.942 1.00 75.35 C ATOM 2053 CG ASN A 131 29.781 -49.659 -6.362 1.00 41.44 C ATOM 2054 OD1 ASN A 131 30.086 -49.466 -7.540 1.00 54.31 O ATOM 2055 ND2 ASN A 131 30.686 -49.787 -5.399 1.00 41.40 N ATOM 0 H ASN A 131 27.471 -47.000 -4.627 1.00 74.14 H new ATOM 0 HA ASN A 131 28.237 -47.715 -6.587 1.00 41.44 H new ATOM 0 HB2 ASN A 131 28.276 -50.054 -4.893 1.00 75.35 H new ATOM 0 HB3 ASN A 131 27.842 -50.550 -6.517 1.00 75.35 H new ATOM 0 HD21 ASN A 131 31.680 -49.726 -5.622 1.00 41.40 H new ATOM 0 HD22 ASN A 131 30.388 -49.946 -4.437 1.00 41.40 H new ATOM 2062 N TYR A 132 26.686 -49.126 -8.296 1.00 73.30 N ATOM 2063 CA TYR A 132 25.651 -49.375 -9.293 1.00 74.51 C ATOM 2064 C TYR A 132 24.907 -48.090 -9.639 1.00 23.00 C ATOM 2065 O TYR A 132 25.460 -47.242 -10.338 1.00 45.24 O ATOM 2066 CB TYR A 132 24.665 -50.427 -8.782 1.00 13.22 C ATOM 2067 CG TYR A 132 24.649 -51.694 -9.607 1.00 14.53 C ATOM 2068 CD1 TYR A 132 25.828 -52.361 -9.915 1.00 3.23 C ATOM 2069 CD2 TYR A 132 23.454 -52.223 -10.081 1.00 25.21 C ATOM 2070 CE1 TYR A 132 25.819 -53.518 -10.670 1.00 0.11 C ATOM 2071 CE2 TYR A 132 23.435 -53.381 -10.835 1.00 23.02 C ATOM 2072 CZ TYR A 132 24.620 -54.024 -11.127 1.00 54.12 C ATOM 2073 OH TYR A 132 24.605 -55.176 -11.879 1.00 32.53 O ATOM 0 H TYR A 132 27.634 -49.331 -8.611 1.00 73.30 H new ATOM 0 HA TYR A 132 26.134 -49.747 -10.196 1.00 74.51 H new ATOM 0 HB2 TYR A 132 24.916 -50.678 -7.751 1.00 13.22 H new ATOM 0 HB3 TYR A 132 23.663 -49.998 -8.771 1.00 13.22 H new ATOM 0 HD1 TYR A 132 26.768 -51.968 -9.558 1.00 3.23 H new ATOM 0 HD2 TYR A 132 22.525 -51.721 -9.856 1.00 25.21 H new ATOM 0 HE1 TYR A 132 26.745 -54.023 -10.901 1.00 0.11 H new ATOM 0 HE2 TYR A 132 22.498 -53.780 -11.194 1.00 23.02 H new ATOM 0 HH TYR A 132 23.681 -55.397 -12.120 1.00 32.53 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 -2.764 -30.426 6.475 1.00 65.32 N HETATM 2085 P 8SP A 300 -4.905 -27.946 3.256 1.00 20.21 P HETATM 2086 OG 8SP A 300 -4.938 -29.106 4.355 1.00 54.34 O HETATM 2087 C1A 8SP A 300 -3.052 -29.215 -1.166 1.00 40.31 C HETATM 2088 O1A 8SP A 300 -2.169 -29.248 -2.057 1.00 73.35 O HETATM 2089 C1B 8SP A 300 -0.208 -24.916 2.125 1.00 32.11 C HETATM 2090 O1B 8SP A 300 -0.735 -24.400 3.140 1.00 64.24 O HETATM 2091 CB 8SP A 300 -4.466 -28.818 5.689 1.00 4.35 C HETATM 2092 C1G 8SP A 300 -2.320 -27.083 -0.080 1.00 14.22 C HETATM 2093 O1G 8SP A 300 -2.931 -28.379 -0.096 1.00 31.43 O HETATM 2094 C2A 8SP A 300 -4.270 -30.050 -1.235 1.00 60.43 C HETATM 2095 C2B 8SP A 300 1.257 -24.903 1.916 1.00 13.31 C HETATM 2096 CA 8SP A 300 -4.199 -30.093 6.526 1.00 73.22 C HETATM 2097 C2G 8SP A 300 -1.675 -26.797 1.298 1.00 23.35 C HETATM 2098 O2G 8SP A 300 -0.975 -25.545 1.185 1.00 23.43 O HETATM 2099 O2P 8SP A 300 -5.995 -28.044 2.281 1.00 31.31 O HETATM 2100 C3A 8SP A 300 -4.872 -30.244 -2.653 1.00 43.44 C HETATM 2101 C3B 8SP A 300 2.080 -24.160 3.005 1.00 45.20 C HETATM 2102 C 8SP A 300 -4.973 -31.264 6.069 1.00 43.21 C HETATM 2103 O 8SP A 300 -6.177 -31.407 6.379 1.00 71.35 O HETATM 2104 OXT 8SP A 300 -4.404 -32.189 5.258 1.00 70.13 O HETATM 2105 C3G 8SP A 300 -2.703 -26.809 2.464 1.00 24.32 C HETATM 2106 O3G 8SP A 300 -3.490 -28.025 2.507 1.00 74.32 O HETATM 2107 O3P 8SP A 300 -4.971 -26.549 3.997 1.00 20.53 O HETATM 2108 C4A 8SP A 300 -5.196 -28.893 -3.347 1.00 3.23 C HETATM 2109 C4B 8SP A 300 3.457 -23.659 2.486 1.00 11.12 C HETATM 2110 C5A 8SP A 300 -6.259 -29.032 -4.467 1.00 53.35 C HETATM 2111 C5B 8SP A 300 3.350 -22.323 1.702 1.00 63.12 C HETATM 2112 C6A 8SP A 300 -5.651 -29.518 -5.811 1.00 51.44 C HETATM 2113 C6B 8SP A 300 4.693 -21.546 1.644 1.00 23.41 C HETATM 2114 C7A 8SP A 300 -6.629 -30.414 -6.619 1.00 30.02 C HETATM 2115 C7B 8SP A 300 4.618 -20.291 0.735 1.00 15.43 C HETATM 2116 C8A 8SP A 300 -6.606 -31.889 -6.158 1.00 43.40 C HETATM 2117 C8B 8SP A 300 4.508 -20.638 -0.768 1.00 4.45 C HETATM 0 H38B 8SP A 300 5.381 -21.215 -1.073 1.00 4.45 H new HETATM 0 H38A 8SP A 300 -5.602 -32.294 -6.284 1.00 43.40 H new HETATM 0 H28B 8SP A 300 3.606 -21.225 -0.941 1.00 4.45 H new HETATM 0 H28A 8SP A 300 -6.892 -31.946 -5.108 1.00 43.40 H new HETATM 0 H27B 8SP A 300 3.758 -19.689 1.027 1.00 15.43 H new HETATM 0 H27A 8SP A 300 -7.641 -30.022 -6.519 1.00 30.02 H new HETATM 0 H26B 8SP A 300 4.977 -21.243 2.652 1.00 23.41 H new HETATM 0 H26A 8SP A 300 -5.374 -28.653 -6.414 1.00 51.44 H new HETATM 0 H25B 8SP A 300 3.012 -22.530 0.687 1.00 63.12 H new HETATM 0 H25A 8SP A 300 -7.029 -29.733 -4.146 1.00 53.35 H new HETATM 0 H24B 8SP A 300 4.133 -23.527 3.331 1.00 11.12 H new HETATM 0 H24A 8SP A 300 -5.552 -28.183 -2.601 1.00 3.23 H new HETATM 0 H23G 8SP A 300 -2.174 -26.690 3.410 1.00 24.32 H new HETATM 0 H23B 8SP A 300 1.504 -23.310 3.371 1.00 45.20 H new HETATM 0 H23A 8SP A 300 -4.171 -30.807 -3.269 1.00 43.44 H new HETATM 0 H22B 8SP A 300 1.608 -25.933 1.860 1.00 13.31 H new HETATM 0 H22A 8SP A 300 -4.040 -31.031 -0.820 1.00 60.43 H new HETATM 0 H21G 8SP A 300 -1.562 -27.024 -0.861 1.00 14.22 H new HETATM 0 H18B 8SP A 300 4.459 -19.718 -1.351 1.00 4.45 H new HETATM 0 H18A 8SP A 300 -7.308 -32.468 -6.757 1.00 43.40 H new HETATM 0 H17B 8SP A 300 5.505 -19.679 0.897 1.00 15.43 H new HETATM 0 H17A 8SP A 300 -6.371 -30.364 -7.677 1.00 30.02 H new HETATM 0 H16B 8SP A 300 5.477 -22.209 1.277 1.00 23.41 H new HETATM 0 H16A 8SP A 300 -4.735 -30.074 -5.611 1.00 51.44 H new HETATM 0 H15B 8SP A 300 2.592 -21.694 2.169 1.00 63.12 H new HETATM 0 H15A 8SP A 300 -6.748 -28.070 -4.620 1.00 53.35 H new HETATM 0 H14B 8SP A 300 3.897 -24.420 1.841 1.00 11.12 H new HETATM 0 H14A 8SP A 300 -4.281 -28.479 -3.770 1.00 3.23 H new HETATM 0 H13G 8SP A 300 -3.370 -25.953 2.363 1.00 24.32 H new HETATM 0 H13B 8SP A 300 2.238 -24.827 3.852 1.00 45.20 H new HETATM 0 H13A 8SP A 300 -5.782 -30.840 -2.580 1.00 43.44 H new HETATM 0 H12B 8SP A 300 1.465 -24.442 0.950 1.00 13.31 H new HETATM 0 H12A 8SP A 300 -5.031 -29.604 -0.595 1.00 60.43 H new HETATM 0 H11G 8SP A 300 -3.067 -26.321 -0.302 1.00 14.22 H new HETATM 0 HXT 8SP A 300 -4.975 -32.985 5.218 1.00 70.13 H new HETATM 0 HB3 8SP A 300 -5.202 -28.200 6.203 1.00 4.35 H new HETATM 0 HB2 8SP A 300 -3.548 -28.233 5.625 1.00 4.35 H new HETATM 0 HA 8SP A 300 -4.517 -29.868 7.544 1.00 73.22 H new HETATM 0 H2G 8SP A 300 -0.979 -27.595 1.555 1.00 23.35 H new HETATM 0 H2 8SP A 300 -2.412 -31.242 6.975 1.00 65.32 H new HETATM 0 H 8SP A 300 -2.123 -29.840 5.940 1.00 65.32 H new