USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 65 GLN : amide:sc= 0 K(o=-0.0017,f=-0.81) USER MOD Set 1.2: A 108 GLN : amide:sc=-0.00174 X(o=-0.0017,f=-0.5) USER MOD Set 2.1: A 29 TYR OH : rot 173:sc= 1.19 USER MOD Set 2.2: A 97 THR OG1 : rot 52:sc= 0.376 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00314 USER MOD Single : A 9 SER OG : rot 180:sc= -0.277 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -2.45 K(o=-2.4,f=-3.7!) 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= 0.315 K(o=0.31,f=-5.7!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.264 USER MOD Single : A 47 ASN : amide:sc= -0.0322 K(o=-0.032,f=-0.64) USER MOD Single : A 53 THR OG1 : rot -36:sc= 1.72 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0498 USER MOD Single : A 59 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.21) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-3.13e-05 X(o=-3.1e-05,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 80 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 87:sc= -0.289 USER MOD Single : A 89 HIS : +bothHN:sc= -0.0437 K(o=-0.044,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.38) USER MOD Single : A 117 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.042) USER MOD Single : A 122 THR OG1 : rot 37:sc= 0.511 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.88) USER MOD Single : A 126 SER OG : rot 180:sc= 0.098 USER MOD Single : A 127 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.18) 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= -0.125 K(o=-0.13,f=-2.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -9.394 -1.737 -11.218 1.00 13.00 N ATOM 2 CA GLY A 2 -8.256 -2.385 -10.596 1.00 45.03 C ATOM 3 C GLY A 2 -8.613 -3.040 -9.275 1.00 71.54 C ATOM 4 O GLY A 2 -9.510 -3.879 -9.214 1.00 4.21 O ATOM 0 HA2 GLY A 2 -7.854 -3.138 -11.275 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -7.468 -1.650 -10.433 1.00 45.03 H new ATOM 8 N ALA A 3 -7.906 -2.656 -8.216 1.00 34.41 N ATOM 9 CA ALA A 3 -8.153 -3.210 -6.892 1.00 24.42 C ATOM 10 C ALA A 3 -7.271 -2.542 -5.842 1.00 35.43 C ATOM 11 O ALA A 3 -7.759 -2.082 -4.810 1.00 31.31 O ATOM 12 CB ALA A 3 -7.922 -4.715 -6.897 1.00 54.24 C ATOM 0 H ALA A 3 -7.158 -1.963 -8.251 1.00 34.41 H new ATOM 0 HA ALA A 3 -9.193 -3.013 -6.633 1.00 24.42 H new ATOM 0 HB1 ALA A 3 -8.110 -5.115 -5.901 1.00 54.24 H new ATOM 0 HB2 ALA A 3 -8.599 -5.185 -7.611 1.00 54.24 H new ATOM 0 HB3 ALA A 3 -6.891 -4.924 -7.183 1.00 54.24 H new ATOM 18 N ARG A 4 -5.972 -2.492 -6.115 1.00 51.20 N ATOM 19 CA ARG A 4 -5.021 -1.881 -5.193 1.00 12.44 C ATOM 20 C ARG A 4 -5.201 -0.366 -5.152 1.00 20.00 C ATOM 21 O ARG A 4 -5.294 0.230 -4.079 1.00 61.31 O ATOM 22 CB ARG A 4 -3.588 -2.223 -5.603 1.00 50.15 C ATOM 23 CG ARG A 4 -2.711 -2.664 -4.442 1.00 14.55 C ATOM 24 CD ARG A 4 -2.726 -4.174 -4.274 1.00 32.53 C ATOM 25 NE ARG A 4 -3.111 -4.570 -2.922 1.00 24.33 N ATOM 26 CZ ARG A 4 -3.316 -5.831 -2.556 1.00 53.04 C ATOM 27 NH1 ARG A 4 -3.173 -6.813 -3.437 1.00 54.41 N1+ ATOM 28 NH2 ARG A 4 -3.664 -6.113 -1.307 1.00 35.05 N ATOM 0 H ARG A 4 -5.553 -2.867 -6.966 1.00 51.20 H new ATOM 0 HA ARG A 4 -5.212 -2.280 -4.197 1.00 12.44 H new ATOM 0 HB2 ARG A 4 -3.612 -3.016 -6.351 1.00 50.15 H new ATOM 0 HB3 ARG A 4 -3.137 -1.351 -6.077 1.00 50.15 H new ATOM 0 HG2 ARG A 4 -1.688 -2.326 -4.608 1.00 14.55 H new ATOM 0 HG3 ARG A 4 -3.058 -2.191 -3.523 1.00 14.55 H new ATOM 0 HD2 ARG A 4 -3.420 -4.612 -4.992 1.00 32.53 H new ATOM 0 HD3 ARG A 4 -1.738 -4.574 -4.501 1.00 32.53 H new ATOM 0 HE ARG A 4 -3.229 -3.839 -2.221 1.00 24.33 H new ATOM 0 HH11 ARG A 4 -2.905 -6.601 -4.398 1.00 54.41 H new ATOM 0 HH12 ARG A 4 -3.331 -7.780 -3.153 1.00 54.41 H new ATOM 0 HH21 ARG A 4 -3.775 -5.361 -0.626 1.00 35.05 H new ATOM 0 HH22 ARG A 4 -3.821 -7.081 -1.028 1.00 35.05 H new ATOM 42 N ALA A 5 -5.250 0.252 -6.328 1.00 25.55 N ATOM 43 CA ALA A 5 -5.420 1.696 -6.427 1.00 3.15 C ATOM 44 C ALA A 5 -6.864 2.056 -6.762 1.00 53.54 C ATOM 45 O ALA A 5 -7.722 1.182 -6.876 1.00 42.10 O ATOM 46 CB ALA A 5 -4.475 2.269 -7.472 1.00 41.44 C ATOM 0 H ALA A 5 -5.174 -0.226 -7.226 1.00 25.55 H new ATOM 0 HA ALA A 5 -5.179 2.133 -5.458 1.00 3.15 H new ATOM 0 HB1 ALA A 5 -4.613 3.348 -7.535 1.00 41.44 H new ATOM 0 HB2 ALA A 5 -3.445 2.051 -7.190 1.00 41.44 H new ATOM 0 HB3 ALA A 5 -4.688 1.819 -8.441 1.00 41.44 H new ATOM 52 N SER A 6 -7.125 3.351 -6.918 1.00 60.42 N ATOM 53 CA SER A 6 -8.465 3.827 -7.237 1.00 32.02 C ATOM 54 C SER A 6 -8.411 5.207 -7.884 1.00 13.52 C ATOM 55 O SER A 6 -7.490 5.986 -7.638 1.00 14.14 O ATOM 56 CB SER A 6 -9.325 3.878 -5.972 1.00 30.41 C ATOM 57 OG SER A 6 -8.537 3.674 -4.812 1.00 23.20 O ATOM 0 H SER A 6 -6.426 4.088 -6.828 1.00 60.42 H new ATOM 0 HA SER A 6 -8.913 3.130 -7.945 1.00 32.02 H new ATOM 0 HB2 SER A 6 -9.828 4.843 -5.909 1.00 30.41 H new ATOM 0 HB3 SER A 6 -10.103 3.116 -6.026 1.00 30.41 H new ATOM 0 HG SER A 6 -9.109 3.713 -4.017 1.00 23.20 H new ATOM 63 N VAL A 7 -9.407 5.505 -8.714 1.00 62.22 N ATOM 64 CA VAL A 7 -9.475 6.791 -9.397 1.00 63.13 C ATOM 65 C VAL A 7 -10.645 7.624 -8.884 1.00 51.15 C ATOM 66 O VAL A 7 -10.453 8.697 -8.310 1.00 24.51 O ATOM 67 CB VAL A 7 -9.616 6.611 -10.919 1.00 75.13 C ATOM 68 CG1 VAL A 7 -9.640 7.963 -11.617 1.00 20.31 C ATOM 69 CG2 VAL A 7 -8.488 5.744 -11.460 1.00 11.22 C ATOM 0 H VAL A 7 -10.178 4.872 -8.929 1.00 62.22 H new ATOM 0 HA VAL A 7 -8.541 7.312 -9.185 1.00 63.13 H new ATOM 0 HB VAL A 7 -10.561 6.107 -11.121 1.00 75.13 H new ATOM 0 HG11 VAL A 7 -9.740 7.816 -12.692 1.00 20.31 H new ATOM 0 HG12 VAL A 7 -10.484 8.547 -11.251 1.00 20.31 H new ATOM 0 HG13 VAL A 7 -8.713 8.496 -11.409 1.00 20.31 H new ATOM 0 HG21 VAL A 7 -8.604 5.627 -12.538 1.00 11.22 H new ATOM 0 HG22 VAL A 7 -7.530 6.219 -11.247 1.00 11.22 H new ATOM 0 HG23 VAL A 7 -8.521 4.764 -10.983 1.00 11.22 H new ATOM 79 N LEU A 8 -11.858 7.123 -9.096 1.00 53.44 N ATOM 80 CA LEU A 8 -13.061 7.820 -8.654 1.00 52.11 C ATOM 81 C LEU A 8 -13.573 7.244 -7.338 1.00 33.21 C ATOM 82 O LEU A 8 -13.656 6.027 -7.174 1.00 43.05 O ATOM 83 CB LEU A 8 -14.149 7.727 -9.724 1.00 31.40 C ATOM 84 CG LEU A 8 -13.904 8.527 -11.003 1.00 33.22 C ATOM 85 CD1 LEU A 8 -14.962 8.201 -12.048 1.00 13.50 C ATOM 86 CD2 LEU A 8 -13.889 10.019 -10.705 1.00 45.23 C ATOM 0 H LEU A 8 -12.034 6.238 -9.571 1.00 53.44 H new ATOM 0 HA LEU A 8 -12.806 8.868 -8.494 1.00 52.11 H new ATOM 0 HB2 LEU A 8 -14.276 6.679 -9.994 1.00 31.40 H new ATOM 0 HB3 LEU A 8 -15.090 8.060 -9.286 1.00 31.40 H new ATOM 0 HG LEU A 8 -12.929 8.247 -11.402 1.00 33.22 H new ATOM 0 HD11 LEU A 8 -14.771 8.780 -12.952 1.00 13.50 H new ATOM 0 HD12 LEU A 8 -14.925 7.137 -12.284 1.00 13.50 H new ATOM 0 HD13 LEU A 8 -15.948 8.452 -11.658 1.00 13.50 H new ATOM 0 HD21 LEU A 8 -13.713 10.573 -11.627 1.00 45.23 H new ATOM 0 HD22 LEU A 8 -14.849 10.315 -10.281 1.00 45.23 H new ATOM 0 HD23 LEU A 8 -13.094 10.240 -9.992 1.00 45.23 H new ATOM 98 N SER A 9 -13.918 8.126 -6.406 1.00 41.35 N ATOM 99 CA SER A 9 -14.421 7.704 -5.103 1.00 60.42 C ATOM 100 C SER A 9 -15.878 7.262 -5.201 1.00 14.20 C ATOM 101 O SER A 9 -16.448 7.202 -6.290 1.00 64.02 O ATOM 102 CB SER A 9 -14.288 8.842 -4.089 1.00 33.33 C ATOM 103 OG SER A 9 -15.382 9.738 -4.182 1.00 33.21 O ATOM 0 H SER A 9 -13.859 9.137 -6.528 1.00 41.35 H new ATOM 0 HA SER A 9 -13.824 6.856 -4.767 1.00 60.42 H new ATOM 0 HB2 SER A 9 -14.235 8.431 -3.081 1.00 33.33 H new ATOM 0 HB3 SER A 9 -13.357 9.381 -4.263 1.00 33.33 H new ATOM 0 HG SER A 9 -15.274 10.455 -3.523 1.00 33.21 H new ATOM 109 N GLY A 10 -16.475 6.954 -4.054 1.00 61.54 N ATOM 110 CA GLY A 10 -17.859 6.521 -4.031 1.00 3.34 C ATOM 111 C GLY A 10 -18.790 7.522 -4.687 1.00 2.42 C ATOM 112 O GLY A 10 -19.591 7.163 -5.548 1.00 22.42 O ATOM 0 H GLY A 10 -16.024 6.997 -3.140 1.00 61.54 H new ATOM 0 HA2 GLY A 10 -17.945 5.561 -4.541 1.00 3.34 H new ATOM 0 HA3 GLY A 10 -18.170 6.363 -2.998 1.00 3.34 H new ATOM 116 N GLY A 11 -18.686 8.782 -4.275 1.00 13.12 N ATOM 117 CA GLY A 11 -19.533 9.818 -4.837 1.00 30.24 C ATOM 118 C GLY A 11 -19.269 10.046 -6.312 1.00 44.24 C ATOM 119 O GLY A 11 -20.202 10.149 -7.107 1.00 12.34 O ATOM 0 H GLY A 11 -18.031 9.104 -3.563 1.00 13.12 H new ATOM 0 HA2 GLY A 11 -20.579 9.544 -4.696 1.00 30.24 H new ATOM 0 HA3 GLY A 11 -19.372 10.749 -4.294 1.00 30.24 H new ATOM 123 N GLU A 12 -17.994 10.126 -6.677 1.00 72.32 N ATOM 124 CA GLU A 12 -17.611 10.346 -8.068 1.00 51.55 C ATOM 125 C GLU A 12 -18.069 9.187 -8.948 1.00 41.43 C ATOM 126 O GLU A 12 -18.437 9.382 -10.107 1.00 63.43 O ATOM 127 CB GLU A 12 -16.094 10.519 -8.181 1.00 4.30 C ATOM 128 CG GLU A 12 -15.513 11.481 -7.159 1.00 0.13 C ATOM 129 CD GLU A 12 -14.044 11.768 -7.398 1.00 53.44 C ATOM 130 OE1 GLU A 12 -13.204 10.943 -6.982 1.00 72.24 O ATOM 131 OE2 GLU A 12 -13.734 12.818 -8.000 1.00 51.12 O1- ATOM 0 H GLU A 12 -17.209 10.042 -6.031 1.00 72.32 H new ATOM 0 HA GLU A 12 -18.100 11.257 -8.413 1.00 51.55 H new ATOM 0 HB2 GLU A 12 -15.616 9.546 -8.064 1.00 4.30 H new ATOM 0 HB3 GLU A 12 -15.851 10.875 -9.182 1.00 4.30 H new ATOM 0 HG2 GLU A 12 -16.072 12.417 -7.188 1.00 0.13 H new ATOM 0 HG3 GLU A 12 -15.640 11.064 -6.160 1.00 0.13 H new ATOM 138 N LEU A 13 -18.042 7.982 -8.390 1.00 21.44 N ATOM 139 CA LEU A 13 -18.455 6.790 -9.123 1.00 74.35 C ATOM 140 C LEU A 13 -19.922 6.881 -9.531 1.00 5.42 C ATOM 141 O LEU A 13 -20.286 6.548 -10.658 1.00 22.11 O ATOM 142 CB LEU A 13 -18.226 5.539 -8.273 1.00 72.11 C ATOM 143 CG LEU A 13 -18.221 4.209 -9.026 1.00 62.41 C ATOM 144 CD1 LEU A 13 -16.973 4.087 -9.887 1.00 64.32 C ATOM 145 CD2 LEU A 13 -18.313 3.044 -8.050 1.00 24.43 C ATOM 0 H LEU A 13 -17.739 7.804 -7.433 1.00 21.44 H new ATOM 0 HA LEU A 13 -17.850 6.723 -10.027 1.00 74.35 H new ATOM 0 HB2 LEU A 13 -17.272 5.645 -7.756 1.00 72.11 H new ATOM 0 HB3 LEU A 13 -19.001 5.497 -7.507 1.00 72.11 H new ATOM 0 HG LEU A 13 -19.093 4.180 -9.680 1.00 62.41 H new ATOM 0 HD11 LEU A 13 -16.987 3.134 -10.415 1.00 64.32 H new ATOM 0 HD12 LEU A 13 -16.949 4.902 -10.610 1.00 64.32 H new ATOM 0 HD13 LEU A 13 -16.087 4.137 -9.253 1.00 64.32 H new ATOM 0 HD21 LEU A 13 -18.308 2.105 -8.603 1.00 24.43 H new ATOM 0 HD22 LEU A 13 -17.460 3.070 -7.371 1.00 24.43 H new ATOM 0 HD23 LEU A 13 -19.236 3.122 -7.476 1.00 24.43 H new ATOM 157 N ASP A 14 -20.759 7.337 -8.606 1.00 4.22 N ATOM 158 CA ASP A 14 -22.187 7.476 -8.868 1.00 31.53 C ATOM 159 C ASP A 14 -22.431 8.325 -10.112 1.00 72.43 C ATOM 160 O ASP A 14 -23.125 7.905 -11.038 1.00 61.42 O ATOM 161 CB ASP A 14 -22.891 8.102 -7.664 1.00 24.31 C ATOM 162 CG ASP A 14 -24.367 7.758 -7.613 1.00 4.34 C ATOM 163 OD1 ASP A 14 -24.693 6.565 -7.444 1.00 30.01 O1- ATOM 164 OD2 ASP A 14 -25.196 8.683 -7.743 1.00 13.33 O ATOM 0 H ASP A 14 -20.473 7.617 -7.668 1.00 4.22 H new ATOM 0 HA ASP A 14 -22.597 6.481 -9.042 1.00 31.53 H new ATOM 0 HB2 ASP A 14 -22.410 7.761 -6.748 1.00 24.31 H new ATOM 0 HB3 ASP A 14 -22.774 9.185 -7.701 1.00 24.31 H new ATOM 169 N LYS A 15 -21.856 9.523 -10.127 1.00 63.51 N ATOM 170 CA LYS A 15 -22.009 10.432 -11.256 1.00 63.12 C ATOM 171 C LYS A 15 -21.327 9.873 -12.502 1.00 43.31 C ATOM 172 O LYS A 15 -21.870 9.947 -13.603 1.00 23.33 O ATOM 173 CB LYS A 15 -21.425 11.805 -10.915 1.00 42.11 C ATOM 174 CG LYS A 15 -22.083 12.464 -9.715 1.00 62.04 C ATOM 175 CD LYS A 15 -23.313 13.257 -10.119 1.00 13.23 C ATOM 176 CE LYS A 15 -24.238 13.495 -8.934 1.00 65.13 C ATOM 177 NZ LYS A 15 -25.636 13.076 -9.229 1.00 41.34 N1+ ATOM 0 H LYS A 15 -21.279 9.887 -9.369 1.00 63.51 H new ATOM 0 HA LYS A 15 -23.074 10.538 -11.463 1.00 63.12 H new ATOM 0 HB2 LYS A 15 -20.358 11.699 -10.721 1.00 42.11 H new ATOM 0 HB3 LYS A 15 -21.528 12.460 -11.780 1.00 42.11 H new ATOM 0 HG2 LYS A 15 -22.363 11.701 -8.988 1.00 62.04 H new ATOM 0 HG3 LYS A 15 -21.368 13.125 -9.224 1.00 62.04 H new ATOM 0 HD2 LYS A 15 -23.007 14.214 -10.541 1.00 13.23 H new ATOM 0 HD3 LYS A 15 -23.852 12.721 -10.901 1.00 13.23 H new ATOM 0 HE2 LYS A 15 -23.869 12.944 -8.069 1.00 65.13 H new ATOM 0 HE3 LYS A 15 -24.224 14.552 -8.669 1.00 65.13 H new ATOM 0 HZ1 LYS A 15 -26.235 13.254 -8.397 1.00 41.34 H new ATOM 0 HZ2 LYS A 15 -25.998 13.619 -10.039 1.00 41.34 H new ATOM 0 HZ3 LYS A 15 -25.654 12.061 -9.457 1.00 41.34 H new ATOM 191 N TRP A 16 -20.137 9.315 -12.318 1.00 22.10 N ATOM 192 CA TRP A 16 -19.382 8.742 -13.427 1.00 13.12 C ATOM 193 C TRP A 16 -20.232 7.744 -14.206 1.00 45.02 C ATOM 194 O TRP A 16 -20.345 7.833 -15.428 1.00 10.50 O ATOM 195 CB TRP A 16 -18.116 8.057 -12.909 1.00 72.13 C ATOM 196 CG TRP A 16 -17.376 7.298 -13.969 1.00 71.31 C ATOM 197 CD1 TRP A 16 -17.490 5.968 -14.254 1.00 70.34 C ATOM 198 CD2 TRP A 16 -16.407 7.825 -14.882 1.00 1.44 C ATOM 199 NE1 TRP A 16 -16.650 5.635 -15.290 1.00 1.31 N ATOM 200 CE2 TRP A 16 -15.976 6.757 -15.693 1.00 52.13 C ATOM 201 CE3 TRP A 16 -15.864 9.094 -15.094 1.00 74.22 C ATOM 202 CZ2 TRP A 16 -15.026 6.923 -16.697 1.00 71.42 C ATOM 203 CZ3 TRP A 16 -14.921 9.257 -16.092 1.00 53.02 C ATOM 204 CH2 TRP A 16 -14.511 8.177 -16.884 1.00 63.11 C ATOM 0 H TRP A 16 -19.673 9.247 -11.412 1.00 22.10 H new ATOM 0 HA TRP A 16 -19.099 9.553 -14.099 1.00 13.12 H new ATOM 0 HB2 TRP A 16 -17.453 8.809 -12.481 1.00 72.13 H new ATOM 0 HB3 TRP A 16 -18.385 7.374 -12.103 1.00 72.13 H new ATOM 0 HD1 TRP A 16 -18.144 5.279 -13.741 1.00 70.34 H new ATOM 0 HE1 TRP A 16 -16.546 4.704 -15.693 1.00 1.31 H new ATOM 0 HE3 TRP A 16 -16.175 9.933 -14.489 1.00 74.22 H new ATOM 0 HZ2 TRP A 16 -14.707 6.091 -17.307 1.00 71.42 H new ATOM 0 HZ3 TRP A 16 -14.493 10.234 -16.264 1.00 53.02 H new ATOM 0 HH2 TRP A 16 -13.774 8.337 -17.657 1.00 63.11 H new ATOM 215 N GLU A 17 -20.828 6.795 -13.490 1.00 71.44 N ATOM 216 CA GLU A 17 -21.667 5.780 -14.117 1.00 3.21 C ATOM 217 C GLU A 17 -22.879 6.417 -14.789 1.00 30.13 C ATOM 218 O GLU A 17 -23.440 5.865 -15.736 1.00 24.34 O ATOM 219 CB GLU A 17 -22.126 4.754 -13.079 1.00 31.21 C ATOM 220 CG GLU A 17 -21.114 3.648 -12.828 1.00 21.11 C ATOM 221 CD GLU A 17 -21.754 2.383 -12.288 1.00 55.11 C ATOM 222 OE1 GLU A 17 -22.801 1.970 -12.829 1.00 73.04 O1- ATOM 223 OE2 GLU A 17 -21.208 1.809 -11.324 1.00 71.41 O ATOM 0 H GLU A 17 -20.746 6.708 -12.477 1.00 71.44 H new ATOM 0 HA GLU A 17 -21.074 5.274 -14.879 1.00 3.21 H new ATOM 0 HB2 GLU A 17 -22.332 5.267 -12.140 1.00 31.21 H new ATOM 0 HB3 GLU A 17 -23.064 4.309 -13.411 1.00 31.21 H new ATOM 0 HG2 GLU A 17 -20.594 3.419 -13.758 1.00 21.11 H new ATOM 0 HG3 GLU A 17 -20.363 4.001 -12.121 1.00 21.11 H new ATOM 230 N LYS A 18 -23.280 7.582 -14.293 1.00 1.14 N ATOM 231 CA LYS A 18 -24.425 8.296 -14.844 1.00 33.02 C ATOM 232 C LYS A 18 -24.057 8.990 -16.152 1.00 40.42 C ATOM 233 O LYS A 18 -24.773 8.879 -17.147 1.00 14.01 O ATOM 234 CB LYS A 18 -24.944 9.326 -13.837 1.00 51.44 C ATOM 235 CG LYS A 18 -26.314 9.882 -14.185 1.00 75.54 C ATOM 236 CD LYS A 18 -26.252 11.370 -14.485 1.00 42.11 C ATOM 237 CE LYS A 18 -27.576 12.054 -14.183 1.00 32.31 C ATOM 238 NZ LYS A 18 -28.415 12.203 -15.404 1.00 32.41 N1+ ATOM 0 H LYS A 18 -22.828 8.053 -13.509 1.00 1.14 H new ATOM 0 HA LYS A 18 -25.210 7.568 -15.048 1.00 33.02 H new ATOM 0 HB2 LYS A 18 -24.988 8.866 -12.850 1.00 51.44 H new ATOM 0 HB3 LYS A 18 -24.233 10.149 -13.773 1.00 51.44 H new ATOM 0 HG2 LYS A 18 -26.714 9.352 -15.049 1.00 75.54 H new ATOM 0 HG3 LYS A 18 -27.001 9.705 -13.357 1.00 75.54 H new ATOM 0 HD2 LYS A 18 -25.460 11.829 -13.893 1.00 42.11 H new ATOM 0 HD3 LYS A 18 -25.994 11.521 -15.533 1.00 42.11 H new ATOM 0 HE2 LYS A 18 -28.121 11.476 -13.436 1.00 32.31 H new ATOM 0 HE3 LYS A 18 -27.387 13.036 -13.750 1.00 32.31 H new ATOM 0 HZ1 LYS A 18 -29.309 12.674 -15.156 1.00 32.41 H new ATOM 0 HZ2 LYS A 18 -27.906 12.775 -16.107 1.00 32.41 H new ATOM 0 HZ3 LYS A 18 -28.617 11.264 -15.803 1.00 32.41 H new ATOM 252 N ILE A 19 -22.936 9.703 -16.142 1.00 72.42 N ATOM 253 CA ILE A 19 -22.471 10.411 -17.328 1.00 14.12 C ATOM 254 C ILE A 19 -22.420 9.484 -18.537 1.00 33.12 C ATOM 255 O ILE A 19 -22.087 8.305 -18.414 1.00 35.24 O ATOM 256 CB ILE A 19 -21.076 11.026 -17.107 1.00 21.25 C ATOM 257 CG1 ILE A 19 -21.104 11.994 -15.923 1.00 50.13 C ATOM 258 CG2 ILE A 19 -20.604 11.735 -18.368 1.00 43.40 C ATOM 259 CD1 ILE A 19 -19.920 11.844 -14.993 1.00 3.34 C ATOM 0 H ILE A 19 -22.333 9.806 -15.326 1.00 72.42 H new ATOM 0 HA ILE A 19 -23.186 11.212 -17.517 1.00 14.12 H new ATOM 0 HB ILE A 19 -20.373 10.225 -16.880 1.00 21.25 H new ATOM 0 HG12 ILE A 19 -21.132 13.016 -16.300 1.00 50.13 H new ATOM 0 HG13 ILE A 19 -22.022 11.837 -15.357 1.00 50.13 H new ATOM 0 HG21 ILE A 19 -19.617 12.164 -18.196 1.00 43.40 H new ATOM 0 HG22 ILE A 19 -20.551 11.020 -19.189 1.00 43.40 H new ATOM 0 HG23 ILE A 19 -21.306 12.529 -18.623 1.00 43.40 H new ATOM 0 HD11 ILE A 19 -20.005 12.561 -14.177 1.00 3.34 H new ATOM 0 HD12 ILE A 19 -19.902 10.833 -14.587 1.00 3.34 H new ATOM 0 HD13 ILE A 19 -18.998 12.030 -15.544 1.00 3.34 H new ATOM 271 N ARG A 20 -22.750 10.024 -19.706 1.00 14.43 N ATOM 272 CA ARG A 20 -22.741 9.246 -20.938 1.00 61.53 C ATOM 273 C ARG A 20 -21.641 9.730 -21.879 1.00 24.43 C ATOM 274 O ARG A 20 -21.238 10.892 -21.833 1.00 35.44 O ATOM 275 CB ARG A 20 -24.100 9.338 -21.634 1.00 74.11 C ATOM 276 CG ARG A 20 -25.263 8.900 -20.761 1.00 1.44 C ATOM 277 CD ARG A 20 -25.904 10.083 -20.053 1.00 5.34 C ATOM 278 NE ARG A 20 -27.271 10.320 -20.511 1.00 21.33 N ATOM 279 CZ ARG A 20 -28.292 9.519 -20.226 1.00 41.21 C ATOM 280 NH1 ARG A 20 -28.101 8.434 -19.486 1.00 35.01 N1+ ATOM 281 NH2 ARG A 20 -29.506 9.802 -20.679 1.00 51.04 N ATOM 0 H ARG A 20 -23.027 10.998 -19.825 1.00 14.43 H new ATOM 0 HA ARG A 20 -22.542 8.206 -20.680 1.00 61.53 H new ATOM 0 HB2 ARG A 20 -24.265 10.366 -21.955 1.00 74.11 H new ATOM 0 HB3 ARG A 20 -24.080 8.723 -22.533 1.00 74.11 H new ATOM 0 HG2 ARG A 20 -26.009 8.394 -21.374 1.00 1.44 H new ATOM 0 HG3 ARG A 20 -24.914 8.178 -20.023 1.00 1.44 H new ATOM 0 HD2 ARG A 20 -25.908 9.903 -18.978 1.00 5.34 H new ATOM 0 HD3 ARG A 20 -25.304 10.977 -20.225 1.00 5.34 H new ATOM 0 HE ARG A 20 -27.452 11.146 -21.081 1.00 21.33 H new ATOM 0 HH11 ARG A 20 -27.169 8.214 -19.135 1.00 35.01 H new ATOM 0 HH12 ARG A 20 -28.886 7.820 -19.268 1.00 35.01 H new ATOM 0 HH21 ARG A 20 -29.657 10.636 -21.247 1.00 51.04 H new ATOM 0 HH22 ARG A 20 -30.289 9.186 -20.459 1.00 51.04 H new ATOM 295 N LEU A 21 -21.160 8.830 -22.730 1.00 30.14 N ATOM 296 CA LEU A 21 -20.106 9.164 -23.682 1.00 35.14 C ATOM 297 C LEU A 21 -20.553 10.284 -24.617 1.00 51.45 C ATOM 298 O LEU A 21 -19.757 11.143 -24.996 1.00 53.23 O ATOM 299 CB LEU A 21 -19.718 7.930 -24.497 1.00 51.21 C ATOM 300 CG LEU A 21 -19.416 6.664 -23.694 1.00 22.15 C ATOM 301 CD1 LEU A 21 -19.697 5.424 -24.528 1.00 71.42 C ATOM 302 CD2 LEU A 21 -17.972 6.669 -23.212 1.00 32.45 C ATOM 0 H LEU A 21 -21.483 7.864 -22.780 1.00 30.14 H new ATOM 0 HA LEU A 21 -19.238 9.508 -23.120 1.00 35.14 H new ATOM 0 HB2 LEU A 21 -20.527 7.710 -25.194 1.00 51.21 H new ATOM 0 HB3 LEU A 21 -18.840 8.175 -25.095 1.00 51.21 H new ATOM 0 HG LEU A 21 -20.069 6.646 -22.821 1.00 22.15 H new ATOM 0 HD11 LEU A 21 -19.476 4.533 -23.941 1.00 71.42 H new ATOM 0 HD12 LEU A 21 -20.746 5.414 -24.823 1.00 71.42 H new ATOM 0 HD13 LEU A 21 -19.070 5.435 -25.419 1.00 71.42 H new ATOM 0 HD21 LEU A 21 -17.775 5.761 -22.643 1.00 32.45 H new ATOM 0 HD22 LEU A 21 -17.302 6.711 -24.071 1.00 32.45 H new ATOM 0 HD23 LEU A 21 -17.803 7.539 -22.577 1.00 32.45 H new ATOM 314 N ARG A 22 -21.830 10.270 -24.982 1.00 1.33 N ATOM 315 CA ARG A 22 -22.382 11.286 -25.871 1.00 21.12 C ATOM 316 C ARG A 22 -23.682 11.852 -25.308 1.00 12.12 C ATOM 317 O ARG A 22 -24.347 11.237 -24.474 1.00 31.11 O ATOM 318 CB ARG A 22 -22.630 10.696 -27.261 1.00 53.11 C ATOM 319 CG ARG A 22 -21.419 10.770 -28.178 1.00 53.11 C ATOM 320 CD ARG A 22 -21.531 9.782 -29.328 1.00 44.11 C ATOM 321 NE ARG A 22 -20.230 9.486 -29.923 1.00 24.32 N ATOM 322 CZ ARG A 22 -19.566 10.335 -30.698 1.00 40.43 C ATOM 323 NH1 ARG A 22 -20.076 11.529 -30.969 1.00 42.44 N1+ ATOM 324 NH2 ARG A 22 -18.387 9.993 -31.202 1.00 10.55 N ATOM 0 H ARG A 22 -22.502 9.567 -24.676 1.00 1.33 H new ATOM 0 HA ARG A 22 -21.657 12.096 -25.951 1.00 21.12 H new ATOM 0 HB2 ARG A 22 -22.933 9.654 -27.156 1.00 53.11 H new ATOM 0 HB3 ARG A 22 -23.462 11.224 -27.728 1.00 53.11 H new ATOM 0 HG2 ARG A 22 -21.322 11.781 -28.573 1.00 53.11 H new ATOM 0 HG3 ARG A 22 -20.515 10.563 -27.606 1.00 53.11 H new ATOM 0 HD2 ARG A 22 -21.984 8.858 -28.969 1.00 44.11 H new ATOM 0 HD3 ARG A 22 -22.195 10.188 -30.091 1.00 44.11 H new ATOM 0 HE ARG A 22 -19.809 8.577 -29.732 1.00 24.32 H new ATOM 0 HH11 ARG A 22 -20.981 11.797 -30.582 1.00 42.44 H new ATOM 0 HH12 ARG A 22 -19.563 12.179 -31.565 1.00 42.44 H new ATOM 0 HH21 ARG A 22 -17.990 9.077 -30.994 1.00 10.55 H new ATOM 0 HH22 ARG A 22 -17.878 10.646 -31.797 1.00 10.55 H new ATOM 338 N PRO A 23 -24.055 13.054 -25.773 1.00 61.35 N ATOM 339 CA PRO A 23 -25.277 13.730 -25.330 1.00 13.15 C ATOM 340 C PRO A 23 -26.538 13.035 -25.833 1.00 52.31 C ATOM 341 O PRO A 23 -27.533 12.940 -25.116 1.00 32.55 O ATOM 342 CB PRO A 23 -25.154 15.125 -25.947 1.00 12.42 C ATOM 343 CG PRO A 23 -24.275 14.940 -27.135 1.00 64.14 C ATOM 344 CD PRO A 23 -23.310 13.844 -26.769 1.00 14.54 C ATOM 0 HA PRO A 23 -25.369 13.736 -24.244 1.00 13.15 H new ATOM 0 HB2 PRO A 23 -26.129 15.518 -26.234 1.00 12.42 H new ATOM 0 HB3 PRO A 23 -24.720 15.833 -25.241 1.00 12.42 H new ATOM 0 HG2 PRO A 23 -24.859 14.668 -28.014 1.00 64.14 H new ATOM 0 HG3 PRO A 23 -23.746 15.862 -27.376 1.00 64.14 H new ATOM 0 HD2 PRO A 23 -23.037 13.243 -27.636 1.00 14.54 H new ATOM 0 HD3 PRO A 23 -22.385 14.245 -26.354 1.00 14.54 H new ATOM 352 N GLY A 24 -26.489 12.552 -27.070 1.00 71.43 N ATOM 353 CA GLY A 24 -27.634 11.871 -27.648 1.00 0.51 C ATOM 354 C GLY A 24 -27.382 10.393 -27.864 1.00 64.15 C ATOM 355 O GLY A 24 -27.913 9.795 -28.798 1.00 31.12 O ATOM 0 H GLY A 24 -25.677 12.620 -27.683 1.00 71.43 H new ATOM 0 HA2 GLY A 24 -28.496 11.997 -26.993 1.00 0.51 H new ATOM 0 HA3 GLY A 24 -27.886 12.336 -28.601 1.00 0.51 H new ATOM 359 N GLY A 25 -26.565 9.800 -26.997 1.00 23.34 N ATOM 360 CA GLY A 25 -26.257 8.387 -27.116 1.00 54.14 C ATOM 361 C GLY A 25 -27.120 7.527 -26.215 1.00 61.12 C ATOM 362 O GLY A 25 -27.848 8.040 -25.365 1.00 13.44 O ATOM 0 H GLY A 25 -26.112 10.273 -26.215 1.00 23.34 H new ATOM 0 HA2 GLY A 25 -26.394 8.075 -28.151 1.00 54.14 H new ATOM 0 HA3 GLY A 25 -25.207 8.225 -26.871 1.00 54.14 H new ATOM 366 N LYS A 26 -27.041 6.214 -26.401 1.00 31.13 N ATOM 367 CA LYS A 26 -27.822 5.279 -25.599 1.00 42.15 C ATOM 368 C LYS A 26 -26.914 4.436 -24.709 1.00 51.00 C ATOM 369 O LYS A 26 -27.260 3.314 -24.335 1.00 55.31 O ATOM 370 CB LYS A 26 -28.653 4.368 -26.505 1.00 10.15 C ATOM 371 CG LYS A 26 -30.075 4.158 -26.016 1.00 12.35 C ATOM 372 CD LYS A 26 -30.861 3.258 -26.955 1.00 61.34 C ATOM 373 CE LYS A 26 -32.286 3.049 -26.465 1.00 43.24 C ATOM 374 NZ LYS A 26 -33.277 3.743 -27.331 1.00 14.31 N1+ ATOM 0 H LYS A 26 -26.444 5.773 -27.100 1.00 31.13 H new ATOM 0 HA LYS A 26 -28.492 5.857 -24.962 1.00 42.15 H new ATOM 0 HB2 LYS A 26 -28.682 4.795 -27.507 1.00 10.15 H new ATOM 0 HB3 LYS A 26 -28.158 3.400 -26.585 1.00 10.15 H new ATOM 0 HG2 LYS A 26 -30.056 3.717 -25.019 1.00 12.35 H new ATOM 0 HG3 LYS A 26 -30.577 5.122 -25.929 1.00 12.35 H new ATOM 0 HD2 LYS A 26 -30.879 3.698 -27.952 1.00 61.34 H new ATOM 0 HD3 LYS A 26 -30.360 2.294 -27.041 1.00 61.34 H new ATOM 0 HE2 LYS A 26 -32.509 1.982 -26.441 1.00 43.24 H new ATOM 0 HE3 LYS A 26 -32.376 3.417 -25.443 1.00 43.24 H new ATOM 0 HZ1 LYS A 26 -34.236 3.576 -26.964 1.00 14.31 H new ATOM 0 HZ2 LYS A 26 -33.080 4.764 -27.334 1.00 14.31 H new ATOM 0 HZ3 LYS A 26 -33.209 3.374 -28.301 1.00 14.31 H new ATOM 388 N LYS A 27 -25.752 4.983 -24.370 1.00 63.15 N ATOM 389 CA LYS A 27 -24.794 4.284 -23.521 1.00 24.31 C ATOM 390 C LYS A 27 -24.277 5.198 -22.416 1.00 41.33 C ATOM 391 O LYS A 27 -24.309 6.422 -22.545 1.00 24.42 O ATOM 392 CB LYS A 27 -23.623 3.765 -24.358 1.00 62.12 C ATOM 393 CG LYS A 27 -23.078 2.430 -23.879 1.00 21.31 C ATOM 394 CD LYS A 27 -22.874 1.464 -25.035 1.00 55.54 C ATOM 395 CE LYS A 27 -22.323 0.130 -24.556 1.00 53.14 C ATOM 396 NZ LYS A 27 -21.112 -0.277 -25.322 1.00 55.21 N1+ ATOM 0 H LYS A 27 -25.450 5.910 -24.671 1.00 63.15 H new ATOM 0 HA LYS A 27 -25.305 3.439 -23.059 1.00 24.31 H new ATOM 0 HB2 LYS A 27 -23.944 3.666 -25.395 1.00 62.12 H new ATOM 0 HB3 LYS A 27 -22.821 4.503 -24.342 1.00 62.12 H new ATOM 0 HG2 LYS A 27 -22.131 2.587 -23.363 1.00 21.31 H new ATOM 0 HG3 LYS A 27 -23.767 1.993 -23.156 1.00 21.31 H new ATOM 0 HD2 LYS A 27 -23.822 1.304 -25.548 1.00 55.54 H new ATOM 0 HD3 LYS A 27 -22.189 1.903 -25.760 1.00 55.54 H new ATOM 0 HE2 LYS A 27 -22.077 0.198 -23.496 1.00 53.14 H new ATOM 0 HE3 LYS A 27 -23.091 -0.637 -24.656 1.00 53.14 H new ATOM 0 HZ1 LYS A 27 -20.767 -1.191 -24.966 1.00 55.21 H new ATOM 0 HZ2 LYS A 27 -21.353 -0.367 -26.330 1.00 55.21 H new ATOM 0 HZ3 LYS A 27 -20.370 0.442 -25.206 1.00 55.21 H new ATOM 410 N GLN A 28 -23.800 4.598 -21.331 1.00 64.14 N ATOM 411 CA GLN A 28 -23.275 5.359 -20.204 1.00 3.00 C ATOM 412 C GLN A 28 -21.802 5.041 -19.970 1.00 62.44 C ATOM 413 O GLN A 28 -21.208 4.239 -20.691 1.00 63.10 O ATOM 414 CB GLN A 28 -24.082 5.060 -18.939 1.00 40.15 C ATOM 415 CG GLN A 28 -24.364 3.580 -18.733 1.00 34.24 C ATOM 416 CD GLN A 28 -23.105 2.776 -18.474 1.00 34.41 C ATOM 417 OE1 GLN A 28 -22.432 2.338 -19.407 1.00 74.41 O ATOM 418 NE2 GLN A 28 -22.780 2.578 -17.203 1.00 0.41 N ATOM 0 H GLN A 28 -23.766 3.586 -21.208 1.00 64.14 H new ATOM 0 HA GLN A 28 -23.365 6.419 -20.441 1.00 3.00 H new ATOM 0 HB2 GLN A 28 -23.540 5.442 -18.074 1.00 40.15 H new ATOM 0 HB3 GLN A 28 -25.028 5.599 -18.986 1.00 40.15 H new ATOM 0 HG2 GLN A 28 -25.048 3.458 -17.893 1.00 34.24 H new ATOM 0 HG3 GLN A 28 -24.868 3.184 -19.614 1.00 34.24 H new ATOM 0 HE21 GLN A 28 -23.367 2.959 -16.461 1.00 0.41 H new ATOM 0 HE22 GLN A 28 -21.943 2.044 -16.968 1.00 0.41 H new ATOM 427 N TYR A 29 -21.219 5.673 -18.958 1.00 43.24 N ATOM 428 CA TYR A 29 -19.813 5.459 -18.631 1.00 24.25 C ATOM 429 C TYR A 29 -19.658 4.339 -17.606 1.00 3.32 C ATOM 430 O TYR A 29 -20.539 4.113 -16.777 1.00 3.12 O ATOM 431 CB TYR A 29 -19.192 6.748 -18.092 1.00 71.54 C ATOM 432 CG TYR A 29 -18.508 7.580 -19.154 1.00 34.45 C ATOM 433 CD1 TYR A 29 -17.261 7.222 -19.649 1.00 44.34 C ATOM 434 CD2 TYR A 29 -19.112 8.725 -19.663 1.00 64.54 C ATOM 435 CE1 TYR A 29 -16.633 7.979 -20.619 1.00 43.32 C ATOM 436 CE2 TYR A 29 -18.491 9.486 -20.634 1.00 10.55 C ATOM 437 CZ TYR A 29 -17.252 9.110 -21.108 1.00 34.20 C ATOM 438 OH TYR A 29 -16.630 9.868 -22.074 1.00 14.04 O ATOM 0 H TYR A 29 -21.697 6.338 -18.350 1.00 43.24 H new ATOM 0 HA TYR A 29 -19.293 5.167 -19.544 1.00 24.25 H new ATOM 0 HB2 TYR A 29 -19.971 7.346 -17.619 1.00 71.54 H new ATOM 0 HB3 TYR A 29 -18.468 6.496 -17.317 1.00 71.54 H new ATOM 0 HD1 TYR A 29 -16.774 6.336 -19.269 1.00 44.34 H new ATOM 0 HD2 TYR A 29 -20.082 9.024 -19.293 1.00 64.54 H new ATOM 0 HE1 TYR A 29 -15.663 7.687 -20.992 1.00 43.32 H new ATOM 0 HE2 TYR A 29 -18.974 10.372 -21.020 1.00 10.55 H new ATOM 0 HH TYR A 29 -17.242 10.568 -22.385 1.00 14.04 H new ATOM 448 N LYS A 30 -18.529 3.641 -17.669 1.00 21.24 N ATOM 449 CA LYS A 30 -18.254 2.545 -16.747 1.00 13.23 C ATOM 450 C LYS A 30 -16.754 2.383 -16.528 1.00 61.04 C ATOM 451 O LYS A 30 -15.943 2.995 -17.227 1.00 22.23 O ATOM 452 CB LYS A 30 -18.847 1.240 -17.282 1.00 4.31 C ATOM 453 CG LYS A 30 -19.509 0.389 -16.212 1.00 51.31 C ATOM 454 CD LYS A 30 -18.897 -1.000 -16.145 1.00 61.00 C ATOM 455 CE LYS A 30 -19.604 -1.965 -17.084 1.00 61.10 C ATOM 456 NZ LYS A 30 -20.246 -3.087 -16.345 1.00 41.30 N1+ ATOM 0 H LYS A 30 -17.789 3.815 -18.349 1.00 21.24 H new ATOM 0 HA LYS A 30 -18.719 2.782 -15.790 1.00 13.23 H new ATOM 0 HB2 LYS A 30 -19.580 1.474 -18.054 1.00 4.31 H new ATOM 0 HB3 LYS A 30 -18.057 0.660 -17.758 1.00 4.31 H new ATOM 0 HG2 LYS A 30 -19.409 0.879 -15.243 1.00 51.31 H new ATOM 0 HG3 LYS A 30 -20.576 0.308 -16.419 1.00 51.31 H new ATOM 0 HD2 LYS A 30 -17.840 -0.946 -16.405 1.00 61.00 H new ATOM 0 HD3 LYS A 30 -18.955 -1.376 -15.123 1.00 61.00 H new ATOM 0 HE2 LYS A 30 -20.360 -1.427 -17.656 1.00 61.10 H new ATOM 0 HE3 LYS A 30 -18.887 -2.365 -17.801 1.00 61.10 H new ATOM 0 HZ1 LYS A 30 -20.717 -3.723 -17.020 1.00 41.30 H new ATOM 0 HZ2 LYS A 30 -19.521 -3.616 -15.819 1.00 41.30 H new ATOM 0 HZ3 LYS A 30 -20.949 -2.707 -15.679 1.00 41.30 H new ATOM 470 N LEU A 31 -16.388 1.554 -15.556 1.00 13.42 N ATOM 471 CA LEU A 31 -14.984 1.309 -15.247 1.00 44.44 C ATOM 472 C LEU A 31 -14.220 0.875 -16.493 1.00 61.34 C ATOM 473 O LEU A 31 -13.015 1.106 -16.608 1.00 24.55 O ATOM 474 CB LEU A 31 -14.859 0.241 -14.159 1.00 63.10 C ATOM 475 CG LEU A 31 -14.488 0.743 -12.764 1.00 40.00 C ATOM 476 CD1 LEU A 31 -15.609 1.594 -12.187 1.00 55.34 C ATOM 477 CD2 LEU A 31 -14.177 -0.427 -11.841 1.00 73.02 C ATOM 0 H LEU A 31 -17.045 1.040 -14.968 1.00 13.42 H new ATOM 0 HA LEU A 31 -14.550 2.240 -14.884 1.00 44.44 H new ATOM 0 HB2 LEU A 31 -15.807 -0.292 -14.091 1.00 63.10 H new ATOM 0 HB3 LEU A 31 -14.108 -0.483 -14.474 1.00 63.10 H new ATOM 0 HG LEU A 31 -13.595 1.362 -12.848 1.00 40.00 H new ATOM 0 HD11 LEU A 31 -15.327 1.942 -11.193 1.00 55.34 H new ATOM 0 HD12 LEU A 31 -15.785 2.452 -12.836 1.00 55.34 H new ATOM 0 HD13 LEU A 31 -16.519 0.998 -12.118 1.00 55.34 H new ATOM 0 HD21 LEU A 31 -13.915 -0.051 -10.852 1.00 73.02 H new ATOM 0 HD22 LEU A 31 -15.052 -1.072 -11.764 1.00 73.02 H new ATOM 0 HD23 LEU A 31 -13.341 -0.997 -12.246 1.00 73.02 H new ATOM 489 N LYS A 32 -14.927 0.246 -17.425 1.00 74.34 N ATOM 490 CA LYS A 32 -14.317 -0.218 -18.666 1.00 5.30 C ATOM 491 C LYS A 32 -13.550 0.908 -19.350 1.00 13.10 C ATOM 492 O LYS A 32 -12.558 0.669 -20.040 1.00 63.50 O ATOM 493 CB LYS A 32 -15.388 -0.768 -19.611 1.00 0.54 C ATOM 494 CG LYS A 32 -15.357 -2.279 -19.753 1.00 4.12 C ATOM 495 CD LYS A 32 -14.403 -2.716 -20.853 1.00 12.51 C ATOM 496 CE LYS A 32 -15.130 -2.915 -22.174 1.00 61.21 C ATOM 497 NZ LYS A 32 -15.539 -4.333 -22.373 1.00 24.11 N1+ ATOM 0 H LYS A 32 -15.924 0.045 -17.345 1.00 74.34 H new ATOM 0 HA LYS A 32 -13.615 -1.015 -18.420 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -16.370 -0.466 -19.248 1.00 0.54 H new ATOM 0 HB3 LYS A 32 -15.259 -0.317 -20.595 1.00 0.54 H new ATOM 0 HG2 LYS A 32 -15.054 -2.728 -18.807 1.00 4.12 H new ATOM 0 HG3 LYS A 32 -16.360 -2.645 -19.973 1.00 4.12 H new ATOM 0 HD2 LYS A 32 -13.621 -1.967 -20.976 1.00 12.51 H new ATOM 0 HD3 LYS A 32 -13.912 -3.645 -20.563 1.00 12.51 H new ATOM 0 HE2 LYS A 32 -16.012 -2.275 -22.203 1.00 61.21 H new ATOM 0 HE3 LYS A 32 -14.483 -2.605 -22.995 1.00 61.21 H new ATOM 0 HZ1 LYS A 32 -16.031 -4.428 -23.284 1.00 24.11 H new ATOM 0 HZ2 LYS A 32 -14.695 -4.941 -22.370 1.00 24.11 H new ATOM 0 HZ3 LYS A 32 -16.176 -4.622 -21.604 1.00 24.11 H new ATOM 511 N HIS A 33 -14.013 2.139 -19.154 1.00 31.22 N ATOM 512 CA HIS A 33 -13.369 3.303 -19.751 1.00 53.30 C ATOM 513 C HIS A 33 -12.225 3.801 -18.871 1.00 31.05 C ATOM 514 O HIS A 33 -11.250 4.293 -19.438 1.00 52.22 O ATOM 515 CB HIS A 33 -14.388 4.424 -19.962 1.00 14.04 C ATOM 516 CG HIS A 33 -15.628 3.979 -20.675 1.00 33.35 C ATOM 517 ND1 HIS A 33 -16.875 3.977 -20.088 1.00 41.41 N ATOM 518 CD2 HIS A 33 -15.808 3.520 -21.936 1.00 43.31 C ATOM 519 CE1 HIS A 33 -17.768 3.536 -20.955 1.00 53.13 C ATOM 520 NE2 HIS A 33 -17.146 3.252 -22.086 1.00 64.13 N ATOM 0 H HIS A 33 -14.832 2.356 -18.586 1.00 31.22 H new ATOM 0 HA HIS A 33 -12.960 3.006 -20.717 1.00 53.30 H new ATOM 0 HB2 HIS A 33 -14.665 4.839 -18.993 1.00 14.04 H new ATOM 0 HB3 HIS A 33 -13.920 5.227 -20.531 1.00 14.04 H new ATOM 0 HD2 HIS A 33 -15.041 3.389 -22.685 1.00 43.31 H new ATOM 0 HE1 HIS A 33 -18.827 3.426 -20.771 1.00 53.13 H new ATOM 0 HE2 HIS A 33 -17.588 2.892 -22.932 1.00 64.13 H new ATOM 528 N ILE A 34 -12.315 3.689 -17.550 1.00 11.22 N ATOM 529 CA ILE A 34 -11.247 4.148 -16.671 1.00 33.22 C ATOM 530 C ILE A 34 -10.027 3.240 -16.767 1.00 64.35 C ATOM 531 O ILE A 34 -8.888 3.704 -16.713 1.00 64.51 O ATOM 532 CB ILE A 34 -11.713 4.210 -15.204 1.00 23.52 C ATOM 533 CG1 ILE A 34 -13.018 5.002 -15.094 1.00 45.43 C ATOM 534 CG2 ILE A 34 -10.633 4.832 -14.331 1.00 21.35 C ATOM 535 CD1 ILE A 34 -13.614 4.991 -13.704 1.00 54.30 C ATOM 0 H ILE A 34 -13.116 3.285 -17.065 1.00 11.22 H new ATOM 0 HA ILE A 34 -10.977 5.151 -17.001 1.00 33.22 H new ATOM 0 HB ILE A 34 -11.896 3.195 -14.852 1.00 23.52 H new ATOM 0 HG12 ILE A 34 -12.834 6.034 -15.394 1.00 45.43 H new ATOM 0 HG13 ILE A 34 -13.744 4.591 -15.795 1.00 45.43 H new ATOM 0 HG21 ILE A 34 -10.977 4.869 -13.297 1.00 21.35 H new ATOM 0 HG22 ILE A 34 -9.726 4.230 -14.390 1.00 21.35 H new ATOM 0 HG23 ILE A 34 -10.421 5.843 -14.679 1.00 21.35 H new ATOM 0 HD11 ILE A 34 -14.537 5.571 -13.699 1.00 54.30 H new ATOM 0 HD12 ILE A 34 -13.830 3.964 -13.409 1.00 54.30 H new ATOM 0 HD13 ILE A 34 -12.906 5.430 -13.001 1.00 54.30 H new ATOM 547 N VAL A 35 -10.272 1.941 -16.912 1.00 35.14 N ATOM 548 CA VAL A 35 -9.193 0.967 -17.020 1.00 4.00 C ATOM 549 C VAL A 35 -8.474 1.088 -18.358 1.00 32.51 C ATOM 550 O VAL A 35 -7.255 0.937 -18.435 1.00 51.35 O ATOM 551 CB VAL A 35 -9.719 -0.472 -16.861 1.00 43.31 C ATOM 552 CG1 VAL A 35 -8.584 -1.475 -17.006 1.00 42.40 C ATOM 553 CG2 VAL A 35 -10.420 -0.638 -15.520 1.00 60.25 C ATOM 0 H VAL A 35 -11.209 1.539 -16.957 1.00 35.14 H new ATOM 0 HA VAL A 35 -8.491 1.182 -16.214 1.00 4.00 H new ATOM 0 HB VAL A 35 -10.445 -0.664 -17.651 1.00 43.31 H new ATOM 0 HG11 VAL A 35 -8.975 -2.486 -16.891 1.00 42.40 H new ATOM 0 HG12 VAL A 35 -8.131 -1.371 -17.992 1.00 42.40 H new ATOM 0 HG13 VAL A 35 -7.832 -1.287 -16.239 1.00 42.40 H new ATOM 0 HG21 VAL A 35 -10.785 -1.661 -15.425 1.00 60.25 H new ATOM 0 HG22 VAL A 35 -9.718 -0.427 -14.714 1.00 60.25 H new ATOM 0 HG23 VAL A 35 -11.260 0.054 -15.460 1.00 60.25 H new ATOM 563 N TRP A 36 -9.237 1.361 -19.410 1.00 63.31 N ATOM 564 CA TRP A 36 -8.671 1.503 -20.747 1.00 14.13 C ATOM 565 C TRP A 36 -7.728 2.699 -20.815 1.00 14.14 C ATOM 566 O TRP A 36 -6.590 2.579 -21.267 1.00 2.20 O ATOM 567 CB TRP A 36 -9.788 1.659 -21.782 1.00 44.10 C ATOM 568 CG TRP A 36 -9.282 1.910 -23.169 1.00 74.45 C ATOM 569 CD1 TRP A 36 -8.800 0.980 -24.047 1.00 40.42 C ATOM 570 CD2 TRP A 36 -9.204 3.173 -23.838 1.00 14.21 C ATOM 571 NE1 TRP A 36 -8.428 1.590 -25.221 1.00 40.24 N ATOM 572 CE2 TRP A 36 -8.667 2.934 -25.118 1.00 13.12 C ATOM 573 CE3 TRP A 36 -9.538 4.482 -23.481 1.00 33.23 C ATOM 574 CZ2 TRP A 36 -8.457 3.957 -26.040 1.00 54.23 C ATOM 575 CZ3 TRP A 36 -9.329 5.496 -24.397 1.00 1.52 C ATOM 576 CH2 TRP A 36 -8.793 5.229 -25.664 1.00 51.43 C ATOM 0 H TRP A 36 -10.248 1.488 -19.364 1.00 63.31 H new ATOM 0 HA TRP A 36 -8.101 0.601 -20.971 1.00 14.13 H new ATOM 0 HB2 TRP A 36 -10.400 0.757 -21.784 1.00 44.10 H new ATOM 0 HB3 TRP A 36 -10.436 2.483 -21.485 1.00 44.10 H new ATOM 0 HD1 TRP A 36 -8.723 -0.079 -23.848 1.00 40.42 H new ATOM 0 HE1 TRP A 36 -8.037 1.118 -26.037 1.00 40.24 H new ATOM 0 HE3 TRP A 36 -9.952 4.698 -22.507 1.00 33.23 H new ATOM 0 HZ2 TRP A 36 -8.044 3.753 -27.017 1.00 54.23 H new ATOM 0 HZ3 TRP A 36 -9.583 6.512 -24.132 1.00 1.52 H new ATOM 0 HH2 TRP A 36 -8.642 6.043 -26.357 1.00 51.43 H new ATOM 587 N ALA A 37 -8.209 3.853 -20.365 1.00 13.45 N ATOM 588 CA ALA A 37 -7.408 5.071 -20.372 1.00 63.40 C ATOM 589 C ALA A 37 -6.057 4.842 -19.702 1.00 53.13 C ATOM 590 O ALA A 37 -5.026 5.307 -20.188 1.00 32.43 O ATOM 591 CB ALA A 37 -8.158 6.200 -19.683 1.00 41.33 C ATOM 0 H ALA A 37 -9.151 3.970 -19.991 1.00 13.45 H new ATOM 0 HA ALA A 37 -7.226 5.352 -21.409 1.00 63.40 H new ATOM 0 HB1 ALA A 37 -7.548 7.103 -19.696 1.00 41.33 H new ATOM 0 HB2 ALA A 37 -9.095 6.388 -20.207 1.00 41.33 H new ATOM 0 HB3 ALA A 37 -8.370 5.920 -18.651 1.00 41.33 H new ATOM 597 N SER A 38 -6.071 4.125 -18.583 1.00 53.12 N ATOM 598 CA SER A 38 -4.846 3.840 -17.844 1.00 22.31 C ATOM 599 C SER A 38 -3.854 3.074 -18.712 1.00 75.44 C ATOM 600 O SER A 38 -2.715 3.503 -18.899 1.00 0.00 O ATOM 601 CB SER A 38 -5.164 3.036 -16.582 1.00 1.33 C ATOM 602 OG SER A 38 -5.472 3.893 -15.495 1.00 31.34 O ATOM 0 H SER A 38 -6.916 3.731 -18.168 1.00 53.12 H new ATOM 0 HA SER A 38 -4.393 4.789 -17.558 1.00 22.31 H new ATOM 0 HB2 SER A 38 -6.005 2.370 -16.774 1.00 1.33 H new ATOM 0 HB3 SER A 38 -4.312 2.407 -16.323 1.00 1.33 H new ATOM 0 HG SER A 38 -5.673 3.355 -14.701 1.00 31.34 H new ATOM 608 N ARG A 39 -4.293 1.936 -19.241 1.00 1.42 N ATOM 609 CA ARG A 39 -3.444 1.109 -20.088 1.00 44.02 C ATOM 610 C ARG A 39 -2.894 1.916 -21.260 1.00 30.44 C ATOM 611 O ARG A 39 -1.833 1.602 -21.799 1.00 30.02 O ATOM 612 CB ARG A 39 -4.227 -0.098 -20.608 1.00 73.10 C ATOM 613 CG ARG A 39 -4.244 -1.274 -19.646 1.00 1.12 C ATOM 614 CD ARG A 39 -3.679 -2.530 -20.291 1.00 33.32 C ATOM 615 NE ARG A 39 -4.323 -3.741 -19.788 1.00 53.45 N ATOM 616 CZ ARG A 39 -4.092 -4.954 -20.279 1.00 1.52 C ATOM 617 NH1 ARG A 39 -3.238 -5.116 -21.279 1.00 70.33 N1+ ATOM 618 NH2 ARG A 39 -4.717 -6.007 -19.767 1.00 73.24 N ATOM 0 H ARG A 39 -5.233 1.566 -19.097 1.00 1.42 H new ATOM 0 HA ARG A 39 -2.606 0.758 -19.486 1.00 44.02 H new ATOM 0 HB2 ARG A 39 -5.253 0.207 -20.814 1.00 73.10 H new ATOM 0 HB3 ARG A 39 -3.794 -0.421 -21.555 1.00 73.10 H new ATOM 0 HG2 ARG A 39 -3.663 -1.027 -18.758 1.00 1.12 H new ATOM 0 HG3 ARG A 39 -5.266 -1.461 -19.317 1.00 1.12 H new ATOM 0 HD2 ARG A 39 -3.809 -2.472 -21.372 1.00 33.32 H new ATOM 0 HD3 ARG A 39 -2.607 -2.584 -20.101 1.00 33.32 H new ATOM 0 HE ARG A 39 -4.986 -3.651 -19.018 1.00 53.45 H new ATOM 0 HH11 ARG A 39 -2.756 -4.308 -21.674 1.00 70.33 H new ATOM 0 HH12 ARG A 39 -3.063 -6.048 -21.654 1.00 70.33 H new ATOM 0 HH21 ARG A 39 -5.375 -5.885 -18.997 1.00 73.24 H new ATOM 0 HH22 ARG A 39 -4.540 -6.938 -20.144 1.00 73.24 H new ATOM 632 N GLU A 40 -3.626 2.956 -21.651 1.00 73.34 N ATOM 633 CA GLU A 40 -3.211 3.806 -22.761 1.00 54.40 C ATOM 634 C GLU A 40 -2.273 4.910 -22.279 1.00 62.11 C ATOM 635 O GLU A 40 -1.453 5.421 -23.044 1.00 43.24 O ATOM 636 CB GLU A 40 -4.433 4.422 -23.445 1.00 4.12 C ATOM 637 CG GLU A 40 -4.415 4.289 -24.957 1.00 34.24 C ATOM 638 CD GLU A 40 -3.554 5.343 -25.626 1.00 43.34 C ATOM 639 OE1 GLU A 40 -2.314 5.262 -25.497 1.00 55.32 O ATOM 640 OE2 GLU A 40 -4.117 6.246 -26.277 1.00 3.54 O1- ATOM 0 H GLU A 40 -4.507 3.229 -21.216 1.00 73.34 H new ATOM 0 HA GLU A 40 -2.676 3.186 -23.480 1.00 54.40 H new ATOM 0 HB2 GLU A 40 -5.334 3.946 -23.058 1.00 4.12 H new ATOM 0 HB3 GLU A 40 -4.492 5.478 -23.182 1.00 4.12 H new ATOM 0 HG2 GLU A 40 -4.046 3.299 -25.226 1.00 34.24 H new ATOM 0 HG3 GLU A 40 -5.434 4.363 -25.337 1.00 34.24 H new ATOM 647 N LEU A 41 -2.402 5.274 -21.008 1.00 54.24 N ATOM 648 CA LEU A 41 -1.566 6.318 -20.424 1.00 4.14 C ATOM 649 C LEU A 41 -0.117 5.856 -20.309 1.00 22.15 C ATOM 650 O LEU A 41 0.802 6.562 -20.720 1.00 61.15 O ATOM 651 CB LEU A 41 -2.099 6.712 -19.045 1.00 43.31 C ATOM 652 CG LEU A 41 -3.101 7.866 -19.017 1.00 4.45 C ATOM 653 CD1 LEU A 41 -3.594 8.111 -17.599 1.00 44.42 C ATOM 654 CD2 LEU A 41 -2.478 9.128 -19.592 1.00 54.33 C ATOM 0 H LEU A 41 -3.076 4.863 -20.363 1.00 54.24 H new ATOM 0 HA LEU A 41 -1.599 7.186 -21.082 1.00 4.14 H new ATOM 0 HB2 LEU A 41 -2.570 5.837 -18.596 1.00 43.31 H new ATOM 0 HB3 LEU A 41 -1.252 6.977 -18.413 1.00 43.31 H new ATOM 0 HG LEU A 41 -3.956 7.593 -19.635 1.00 4.45 H new ATOM 0 HD11 LEU A 41 -4.306 8.936 -17.599 1.00 44.42 H new ATOM 0 HD12 LEU A 41 -4.081 7.211 -17.222 1.00 44.42 H new ATOM 0 HD13 LEU A 41 -2.749 8.362 -16.958 1.00 44.42 H new ATOM 0 HD21 LEU A 41 -3.206 9.939 -19.564 1.00 54.33 H new ATOM 0 HD22 LEU A 41 -1.604 9.404 -19.001 1.00 54.33 H new ATOM 0 HD23 LEU A 41 -2.176 8.947 -20.624 1.00 54.33 H new ATOM 666 N GLU A 42 0.076 4.665 -19.750 1.00 20.01 N ATOM 667 CA GLU A 42 1.413 4.110 -19.583 1.00 45.35 C ATOM 668 C GLU A 42 2.154 4.063 -20.917 1.00 43.04 C ATOM 669 O GLU A 42 3.383 4.105 -20.957 1.00 62.34 O ATOM 670 CB GLU A 42 1.334 2.704 -18.983 1.00 43.43 C ATOM 671 CG GLU A 42 1.683 2.654 -17.504 1.00 61.34 C ATOM 672 CD GLU A 42 2.674 1.554 -17.176 1.00 53.41 C ATOM 673 OE1 GLU A 42 3.855 1.687 -17.559 1.00 33.30 O ATOM 674 OE2 GLU A 42 2.270 0.561 -16.535 1.00 35.23 O1- ATOM 0 H GLU A 42 -0.676 4.067 -19.406 1.00 20.01 H new ATOM 0 HA GLU A 42 1.965 4.759 -18.903 1.00 45.35 H new ATOM 0 HB2 GLU A 42 0.326 2.314 -19.123 1.00 43.43 H new ATOM 0 HB3 GLU A 42 2.009 2.046 -19.530 1.00 43.43 H new ATOM 0 HG2 GLU A 42 2.098 3.615 -17.200 1.00 61.34 H new ATOM 0 HG3 GLU A 42 0.772 2.502 -16.924 1.00 61.34 H new ATOM 681 N ARG A 43 1.396 3.977 -22.005 1.00 11.33 N ATOM 682 CA ARG A 43 1.979 3.924 -23.340 1.00 71.24 C ATOM 683 C ARG A 43 2.566 5.277 -23.731 1.00 32.32 C ATOM 684 O ARG A 43 3.519 5.351 -24.508 1.00 20.13 O ATOM 685 CB ARG A 43 0.925 3.497 -24.363 1.00 71.11 C ATOM 686 CG ARG A 43 1.380 2.365 -25.270 1.00 32.14 C ATOM 687 CD ARG A 43 2.068 2.894 -26.518 1.00 73.54 C ATOM 688 NE ARG A 43 2.686 1.824 -27.297 1.00 53.23 N ATOM 689 CZ ARG A 43 1.997 0.954 -28.027 1.00 2.21 C ATOM 690 NH1 ARG A 43 0.674 1.026 -28.077 1.00 4.14 N1+ ATOM 691 NH2 ARG A 43 2.631 0.008 -28.708 1.00 75.02 N ATOM 0 H ARG A 43 0.377 3.943 -21.988 1.00 11.33 H new ATOM 0 HA ARG A 43 2.783 3.189 -23.329 1.00 71.24 H new ATOM 0 HB2 ARG A 43 0.023 3.188 -23.835 1.00 71.11 H new ATOM 0 HB3 ARG A 43 0.657 4.357 -24.976 1.00 71.11 H new ATOM 0 HG2 ARG A 43 2.063 1.713 -24.725 1.00 32.14 H new ATOM 0 HG3 ARG A 43 0.521 1.759 -25.556 1.00 32.14 H new ATOM 0 HD2 ARG A 43 1.341 3.420 -27.137 1.00 73.54 H new ATOM 0 HD3 ARG A 43 2.829 3.620 -26.232 1.00 73.54 H new ATOM 0 HE ARG A 43 3.702 1.740 -27.279 1.00 53.23 H new ATOM 0 HH11 ARG A 43 0.183 1.751 -27.554 1.00 4.14 H new ATOM 0 HH12 ARG A 43 0.148 0.357 -28.638 1.00 4.14 H new ATOM 0 HH21 ARG A 43 3.649 -0.052 -28.671 1.00 75.02 H new ATOM 0 HH22 ARG A 43 2.101 -0.659 -29.268 1.00 75.02 H new ATOM 705 N PHE A 44 1.989 6.345 -23.189 1.00 71.44 N ATOM 706 CA PHE A 44 2.454 7.696 -23.484 1.00 63.23 C ATOM 707 C PHE A 44 3.423 8.183 -22.411 1.00 42.12 C ATOM 708 O PHE A 44 3.566 9.384 -22.187 1.00 75.13 O ATOM 709 CB PHE A 44 1.266 8.654 -23.587 1.00 40.11 C ATOM 710 CG PHE A 44 0.407 8.416 -24.795 1.00 22.54 C ATOM 711 CD1 PHE A 44 0.977 8.268 -26.050 1.00 30.21 C ATOM 712 CD2 PHE A 44 -0.972 8.339 -24.678 1.00 53.33 C ATOM 713 CE1 PHE A 44 0.189 8.048 -27.164 1.00 24.03 C ATOM 714 CE2 PHE A 44 -1.764 8.120 -25.788 1.00 4.34 C ATOM 715 CZ PHE A 44 -1.184 7.975 -27.033 1.00 52.11 C ATOM 0 H PHE A 44 1.200 6.301 -22.544 1.00 71.44 H new ATOM 0 HA PHE A 44 2.979 7.674 -24.439 1.00 63.23 H new ATOM 0 HB2 PHE A 44 0.653 8.558 -22.691 1.00 40.11 H new ATOM 0 HB3 PHE A 44 1.637 9.679 -23.611 1.00 40.11 H new ATOM 0 HD1 PHE A 44 2.050 8.325 -26.159 1.00 30.21 H new ATOM 0 HD2 PHE A 44 -1.432 8.452 -23.708 1.00 53.33 H new ATOM 0 HE1 PHE A 44 0.646 7.933 -28.136 1.00 24.03 H new ATOM 0 HE2 PHE A 44 -2.837 8.062 -25.682 1.00 4.34 H new ATOM 0 HZ PHE A 44 -1.802 7.805 -27.902 1.00 52.11 H new ATOM 725 N ALA A 45 4.087 7.240 -21.750 1.00 5.31 N ATOM 726 CA ALA A 45 5.044 7.573 -20.702 1.00 65.13 C ATOM 727 C ALA A 45 4.355 8.257 -19.526 1.00 53.44 C ATOM 728 O ALA A 45 4.991 8.975 -18.753 1.00 31.32 O ATOM 729 CB ALA A 45 6.150 8.458 -21.257 1.00 23.44 C ATOM 0 H ALA A 45 3.980 6.240 -21.922 1.00 5.31 H new ATOM 0 HA ALA A 45 5.486 6.644 -20.340 1.00 65.13 H new ATOM 0 HB1 ALA A 45 6.857 8.698 -20.463 1.00 23.44 H new ATOM 0 HB2 ALA A 45 6.669 7.932 -22.058 1.00 23.44 H new ATOM 0 HB3 ALA A 45 5.717 9.379 -21.648 1.00 23.44 H new ATOM 735 N VAL A 46 3.051 8.033 -19.398 1.00 71.11 N ATOM 736 CA VAL A 46 2.276 8.629 -18.316 1.00 11.11 C ATOM 737 C VAL A 46 1.681 7.556 -17.411 1.00 0.43 C ATOM 738 O VAL A 46 1.060 6.605 -17.884 1.00 44.32 O ATOM 739 CB VAL A 46 1.139 9.514 -18.862 1.00 64.22 C ATOM 740 CG1 VAL A 46 0.317 10.091 -17.719 1.00 14.04 C ATOM 741 CG2 VAL A 46 1.701 10.621 -19.739 1.00 34.34 C ATOM 0 H VAL A 46 2.509 7.443 -20.030 1.00 71.11 H new ATOM 0 HA VAL A 46 2.962 9.248 -17.738 1.00 11.11 H new ATOM 0 HB VAL A 46 0.482 8.896 -19.474 1.00 64.22 H new ATOM 0 HG11 VAL A 46 -0.481 10.713 -18.123 1.00 14.04 H new ATOM 0 HG12 VAL A 46 -0.116 9.278 -17.136 1.00 14.04 H new ATOM 0 HG13 VAL A 46 0.959 10.695 -17.078 1.00 14.04 H new ATOM 0 HG21 VAL A 46 0.884 11.236 -20.116 1.00 34.34 H new ATOM 0 HG22 VAL A 46 2.381 11.240 -19.153 1.00 34.34 H new ATOM 0 HG23 VAL A 46 2.242 10.182 -20.578 1.00 34.34 H new ATOM 751 N ASN A 47 1.875 7.717 -16.106 1.00 12.11 N ATOM 752 CA ASN A 47 1.357 6.761 -15.133 1.00 14.21 C ATOM 753 C ASN A 47 -0.157 6.893 -14.995 1.00 24.32 C ATOM 754 O ASN A 47 -0.717 7.988 -15.039 1.00 3.51 O ATOM 755 CB ASN A 47 2.025 6.974 -13.773 1.00 31.22 C ATOM 756 CG ASN A 47 3.482 7.373 -13.901 1.00 71.21 C ATOM 757 OD1 ASN A 47 3.808 8.558 -13.981 1.00 64.22 O ATOM 758 ND2 ASN A 47 4.367 6.383 -13.920 1.00 34.45 N ATOM 0 H ASN A 47 2.387 8.499 -15.698 1.00 12.11 H new ATOM 0 HA ASN A 47 1.586 5.757 -15.489 1.00 14.21 H new ATOM 0 HB2 ASN A 47 1.487 7.746 -13.224 1.00 31.22 H new ATOM 0 HB3 ASN A 47 1.952 6.057 -13.188 1.00 31.22 H new ATOM 0 HD21 ASN A 47 5.362 6.590 -14.004 1.00 34.45 H new ATOM 0 HD22 ASN A 47 4.051 5.415 -13.851 1.00 34.45 H new ATOM 765 N PRO A 48 -0.836 5.749 -14.824 1.00 5.31 N ATOM 766 CA PRO A 48 -2.294 5.709 -14.674 1.00 64.44 C ATOM 767 C PRO A 48 -2.757 6.297 -13.345 1.00 35.23 C ATOM 768 O PRO A 48 -3.952 6.486 -13.121 1.00 22.41 O ATOM 769 CB PRO A 48 -2.616 4.214 -14.737 1.00 70.21 C ATOM 770 CG PRO A 48 -1.367 3.538 -14.289 1.00 62.42 C ATOM 771 CD PRO A 48 -0.234 4.407 -14.761 1.00 2.10 C ATOM 0 HA PRO A 48 -2.798 6.301 -15.438 1.00 64.44 H new ATOM 0 HB2 PRO A 48 -3.456 3.962 -14.090 1.00 70.21 H new ATOM 0 HB3 PRO A 48 -2.890 3.910 -15.747 1.00 70.21 H new ATOM 0 HG2 PRO A 48 -1.350 3.429 -13.205 1.00 62.42 H new ATOM 0 HG3 PRO A 48 -1.292 2.536 -14.711 1.00 62.42 H new ATOM 0 HD2 PRO A 48 0.609 4.377 -14.071 1.00 2.10 H new ATOM 0 HD3 PRO A 48 0.139 4.088 -15.734 1.00 2.10 H new ATOM 779 N GLY A 49 -1.802 6.586 -12.466 1.00 32.03 N ATOM 780 CA GLY A 49 -2.132 7.151 -11.171 1.00 3.53 C ATOM 781 C GLY A 49 -2.291 8.658 -11.219 1.00 31.13 C ATOM 782 O GLY A 49 -2.340 9.319 -10.180 1.00 63.41 O ATOM 0 H GLY A 49 -0.806 6.439 -12.628 1.00 32.03 H new ATOM 0 HA2 GLY A 49 -3.057 6.703 -10.807 1.00 3.53 H new ATOM 0 HA3 GLY A 49 -1.350 6.894 -10.456 1.00 3.53 H new ATOM 786 N LEU A 50 -2.371 9.205 -12.428 1.00 5.25 N ATOM 787 CA LEU A 50 -2.526 10.644 -12.607 1.00 74.42 C ATOM 788 C LEU A 50 -3.991 11.014 -12.814 1.00 70.10 C ATOM 789 O LEU A 50 -4.407 12.134 -12.517 1.00 51.13 O ATOM 790 CB LEU A 50 -1.694 11.120 -13.799 1.00 53.41 C ATOM 791 CG LEU A 50 -0.183 10.914 -13.690 1.00 45.41 C ATOM 792 CD1 LEU A 50 0.530 11.543 -14.876 1.00 72.13 C ATOM 793 CD2 LEU A 50 0.341 11.493 -12.382 1.00 74.40 C ATOM 0 H LEU A 50 -2.331 8.674 -13.298 1.00 5.25 H new ATOM 0 HA LEU A 50 -2.172 11.138 -11.702 1.00 74.42 H new ATOM 0 HB2 LEU A 50 -2.047 10.604 -14.692 1.00 53.41 H new ATOM 0 HB3 LEU A 50 -1.885 12.183 -13.949 1.00 53.41 H new ATOM 0 HG LEU A 50 0.019 9.843 -13.698 1.00 45.41 H new ATOM 0 HD11 LEU A 50 1.604 11.386 -14.780 1.00 72.13 H new ATOM 0 HD12 LEU A 50 0.177 11.083 -15.799 1.00 72.13 H new ATOM 0 HD13 LEU A 50 0.321 12.612 -14.901 1.00 72.13 H new ATOM 0 HD21 LEU A 50 1.418 11.338 -12.321 1.00 74.40 H new ATOM 0 HD22 LEU A 50 0.126 12.561 -12.345 1.00 74.40 H new ATOM 0 HD23 LEU A 50 -0.145 10.995 -11.543 1.00 74.40 H new ATOM 805 N LEU A 51 -4.769 10.065 -13.324 1.00 40.15 N ATOM 806 CA LEU A 51 -6.188 10.290 -13.569 1.00 12.25 C ATOM 807 C LEU A 51 -6.947 10.463 -12.256 1.00 74.42 C ATOM 808 O LEU A 51 -7.997 11.104 -12.215 1.00 72.34 O ATOM 809 CB LEU A 51 -6.780 9.124 -14.363 1.00 74.11 C ATOM 810 CG LEU A 51 -6.125 8.831 -15.714 1.00 1.40 C ATOM 811 CD1 LEU A 51 -6.392 7.395 -16.136 1.00 62.24 C ATOM 812 CD2 LEU A 51 -6.628 9.802 -16.772 1.00 64.12 C ATOM 0 H LEU A 51 -4.440 9.133 -13.576 1.00 40.15 H new ATOM 0 HA LEU A 51 -6.290 11.207 -14.150 1.00 12.25 H new ATOM 0 HB2 LEU A 51 -6.719 8.225 -13.750 1.00 74.11 H new ATOM 0 HB3 LEU A 51 -7.838 9.325 -14.531 1.00 74.11 H new ATOM 0 HG LEU A 51 -5.048 8.963 -15.611 1.00 1.40 H new ATOM 0 HD11 LEU A 51 -5.919 7.205 -17.099 1.00 62.24 H new ATOM 0 HD12 LEU A 51 -5.983 6.714 -15.390 1.00 62.24 H new ATOM 0 HD13 LEU A 51 -7.467 7.235 -16.222 1.00 62.24 H new ATOM 0 HD21 LEU A 51 -6.152 9.579 -17.727 1.00 64.12 H new ATOM 0 HD22 LEU A 51 -7.709 9.702 -16.874 1.00 64.12 H new ATOM 0 HD23 LEU A 51 -6.385 10.822 -16.475 1.00 64.12 H new ATOM 824 N GLU A 52 -6.407 9.888 -11.187 1.00 4.10 N ATOM 825 CA GLU A 52 -7.032 9.980 -9.873 1.00 24.44 C ATOM 826 C GLU A 52 -6.798 11.354 -9.253 1.00 55.23 C ATOM 827 O GLU A 52 -7.333 11.669 -8.190 1.00 52.45 O ATOM 828 CB GLU A 52 -6.487 8.891 -8.946 1.00 33.23 C ATOM 829 CG GLU A 52 -5.002 9.023 -8.659 1.00 52.02 C ATOM 830 CD GLU A 52 -4.571 8.235 -7.437 1.00 73.30 C ATOM 831 OE1 GLU A 52 -5.203 8.397 -6.373 1.00 61.24 O1- ATOM 832 OE2 GLU A 52 -3.601 7.456 -7.547 1.00 60.41 O ATOM 0 H GLU A 52 -5.538 9.354 -11.205 1.00 4.10 H new ATOM 0 HA GLU A 52 -8.105 9.836 -10.000 1.00 24.44 H new ATOM 0 HB2 GLU A 52 -7.034 8.920 -8.004 1.00 33.23 H new ATOM 0 HB3 GLU A 52 -6.676 7.916 -9.394 1.00 33.23 H new ATOM 0 HG2 GLU A 52 -4.437 8.680 -9.526 1.00 52.02 H new ATOM 0 HG3 GLU A 52 -4.756 10.075 -8.514 1.00 52.02 H new ATOM 839 N THR A 53 -5.993 12.170 -9.926 1.00 73.33 N ATOM 840 CA THR A 53 -5.684 13.510 -9.443 1.00 2.31 C ATOM 841 C THR A 53 -6.141 14.572 -10.437 1.00 70.13 C ATOM 842 O THR A 53 -5.852 14.484 -11.630 1.00 54.11 O ATOM 843 CB THR A 53 -4.175 13.681 -9.184 1.00 33.42 C ATOM 844 OG1 THR A 53 -3.471 13.764 -10.428 1.00 0.12 O ATOM 845 CG2 THR A 53 -3.633 12.520 -8.365 1.00 53.15 C ATOM 0 H THR A 53 -5.543 11.926 -10.808 1.00 73.33 H new ATOM 0 HA THR A 53 -6.223 13.639 -8.504 1.00 2.31 H new ATOM 0 HB THR A 53 -4.027 14.603 -8.621 1.00 33.42 H new ATOM 0 HG1 THR A 53 -3.891 13.167 -11.082 1.00 0.12 H new ATOM 0 HG21 THR A 53 -2.566 12.662 -8.194 1.00 53.15 H new ATOM 0 HG22 THR A 53 -4.151 12.477 -7.407 1.00 53.15 H new ATOM 0 HG23 THR A 53 -3.793 11.587 -8.906 1.00 53.15 H new ATOM 853 N SER A 54 -6.855 15.576 -9.937 1.00 22.21 N ATOM 854 CA SER A 54 -7.355 16.654 -10.782 1.00 74.53 C ATOM 855 C SER A 54 -6.213 17.315 -11.549 1.00 13.34 C ATOM 856 O SER A 54 -6.420 17.882 -12.621 1.00 74.43 O ATOM 857 CB SER A 54 -8.087 17.696 -9.935 1.00 33.55 C ATOM 858 OG SER A 54 -7.191 18.678 -9.446 1.00 61.31 O ATOM 0 H SER A 54 -7.100 15.665 -8.951 1.00 22.21 H new ATOM 0 HA SER A 54 -8.053 16.226 -11.501 1.00 74.53 H new ATOM 0 HB2 SER A 54 -8.864 18.174 -10.532 1.00 33.55 H new ATOM 0 HB3 SER A 54 -8.584 17.205 -9.099 1.00 33.55 H new ATOM 0 HG SER A 54 -7.684 19.333 -8.909 1.00 61.31 H new ATOM 864 N GLU A 55 -5.010 17.240 -10.989 1.00 24.42 N ATOM 865 CA GLU A 55 -3.836 17.832 -11.620 1.00 14.42 C ATOM 866 C GLU A 55 -3.344 16.966 -12.775 1.00 13.21 C ATOM 867 O GLU A 55 -3.049 17.467 -13.860 1.00 2.24 O ATOM 868 CB GLU A 55 -2.717 18.017 -10.593 1.00 43.21 C ATOM 869 CG GLU A 55 -2.020 19.364 -10.688 1.00 65.34 C ATOM 870 CD GLU A 55 -0.514 19.252 -10.545 1.00 24.14 C ATOM 871 OE1 GLU A 55 0.162 19.006 -11.566 1.00 61.22 O ATOM 872 OE2 GLU A 55 -0.012 19.411 -9.413 1.00 50.14 O1- ATOM 0 H GLU A 55 -4.823 16.776 -10.100 1.00 24.42 H new ATOM 0 HA GLU A 55 -4.121 18.807 -12.016 1.00 14.42 H new ATOM 0 HB2 GLU A 55 -3.132 17.902 -9.592 1.00 43.21 H new ATOM 0 HB3 GLU A 55 -1.979 17.226 -10.725 1.00 43.21 H new ATOM 0 HG2 GLU A 55 -2.257 19.825 -11.647 1.00 65.34 H new ATOM 0 HG3 GLU A 55 -2.407 20.025 -9.912 1.00 65.34 H new ATOM 879 N GLY A 56 -3.256 15.661 -12.534 1.00 11.05 N ATOM 880 CA GLY A 56 -2.798 14.746 -13.563 1.00 11.14 C ATOM 881 C GLY A 56 -3.586 14.881 -14.852 1.00 53.45 C ATOM 882 O GLY A 56 -3.004 14.997 -15.932 1.00 11.22 O ATOM 0 H GLY A 56 -3.494 15.222 -11.645 1.00 11.05 H new ATOM 0 HA2 GLY A 56 -1.743 14.930 -13.765 1.00 11.14 H new ATOM 0 HA3 GLY A 56 -2.879 13.723 -13.197 1.00 11.14 H new ATOM 886 N CYS A 57 -4.909 14.867 -14.739 1.00 33.40 N ATOM 887 CA CYS A 57 -5.776 14.987 -15.906 1.00 14.34 C ATOM 888 C CYS A 57 -5.475 16.267 -16.678 1.00 55.52 C ATOM 889 O CYS A 57 -5.483 16.278 -17.909 1.00 32.44 O ATOM 890 CB CYS A 57 -7.245 14.969 -15.479 1.00 43.41 C ATOM 891 SG CYS A 57 -7.976 13.316 -15.422 1.00 32.10 S ATOM 0 H CYS A 57 -5.405 14.774 -13.852 1.00 33.40 H new ATOM 0 HA CYS A 57 -5.584 14.136 -16.560 1.00 14.34 H new ATOM 0 HB2 CYS A 57 -7.332 15.427 -14.494 1.00 43.41 H new ATOM 0 HB3 CYS A 57 -7.821 15.586 -16.169 1.00 43.41 H new ATOM 0 HG CYS A 57 -9.218 13.403 -15.049 1.00 32.10 H new ATOM 897 N ARG A 58 -5.210 17.345 -15.947 1.00 10.01 N ATOM 898 CA ARG A 58 -4.909 18.631 -16.564 1.00 43.42 C ATOM 899 C ARG A 58 -3.708 18.518 -17.498 1.00 13.13 C ATOM 900 O ARG A 58 -3.741 19.006 -18.627 1.00 52.04 O ATOM 901 CB ARG A 58 -4.635 19.685 -15.488 1.00 31.13 C ATOM 902 CG ARG A 58 -5.246 21.042 -15.796 1.00 32.20 C ATOM 903 CD ARG A 58 -4.343 22.177 -15.336 1.00 24.32 C ATOM 904 NE ARG A 58 -3.236 22.403 -16.260 1.00 55.31 N ATOM 905 CZ ARG A 58 -3.383 22.943 -17.465 1.00 11.52 C ATOM 906 NH1 ARG A 58 -4.585 23.310 -17.889 1.00 51.42 N1+ ATOM 907 NH2 ARG A 58 -2.326 23.117 -18.248 1.00 35.24 N ATOM 0 H ARG A 58 -5.198 17.353 -14.927 1.00 10.01 H new ATOM 0 HA ARG A 58 -5.776 18.936 -17.150 1.00 43.42 H new ATOM 0 HB2 ARG A 58 -5.025 19.328 -14.534 1.00 31.13 H new ATOM 0 HB3 ARG A 58 -3.558 19.799 -15.369 1.00 31.13 H new ATOM 0 HG2 ARG A 58 -5.423 21.128 -16.868 1.00 32.20 H new ATOM 0 HG3 ARG A 58 -6.216 21.125 -15.305 1.00 32.20 H new ATOM 0 HD2 ARG A 58 -4.929 23.091 -15.242 1.00 24.32 H new ATOM 0 HD3 ARG A 58 -3.948 21.948 -14.346 1.00 24.32 H new ATOM 0 HE ARG A 58 -2.298 22.132 -15.964 1.00 55.31 H new ATOM 0 HH11 ARG A 58 -5.400 23.178 -17.289 1.00 51.42 H new ATOM 0 HH12 ARG A 58 -4.695 23.724 -18.815 1.00 51.42 H new ATOM 0 HH21 ARG A 58 -1.400 22.836 -17.925 1.00 35.24 H new ATOM 0 HH22 ARG A 58 -2.439 23.532 -19.173 1.00 35.24 H new ATOM 921 N GLN A 59 -2.650 17.873 -17.017 1.00 34.01 N ATOM 922 CA GLN A 59 -1.438 17.698 -17.810 1.00 14.31 C ATOM 923 C GLN A 59 -1.704 16.813 -19.023 1.00 4.43 C ATOM 924 O GLN A 59 -1.162 17.047 -20.103 1.00 33.42 O ATOM 925 CB GLN A 59 -0.328 17.089 -16.952 1.00 72.55 C ATOM 926 CG GLN A 59 0.776 18.073 -16.598 1.00 61.14 C ATOM 927 CD GLN A 59 1.593 18.494 -17.804 1.00 22.13 C ATOM 928 OE1 GLN A 59 2.021 17.658 -18.601 1.00 43.51 O ATOM 929 NE2 GLN A 59 1.814 19.795 -17.944 1.00 0.41 N ATOM 0 H GLN A 59 -2.607 17.464 -16.084 1.00 34.01 H new ATOM 0 HA GLN A 59 -1.119 18.679 -18.163 1.00 14.31 H new ATOM 0 HB2 GLN A 59 -0.764 16.698 -16.032 1.00 72.55 H new ATOM 0 HB3 GLN A 59 0.107 16.243 -17.483 1.00 72.55 H new ATOM 0 HG2 GLN A 59 0.335 18.957 -16.136 1.00 61.14 H new ATOM 0 HG3 GLN A 59 1.436 17.622 -15.857 1.00 61.14 H new ATOM 0 HE21 GLN A 59 1.440 20.452 -17.259 1.00 0.41 H new ATOM 0 HE22 GLN A 59 2.358 20.138 -18.736 1.00 0.41 H new ATOM 938 N ILE A 60 -2.540 15.798 -18.836 1.00 23.24 N ATOM 939 CA ILE A 60 -2.878 14.879 -19.916 1.00 50.12 C ATOM 940 C ILE A 60 -3.694 15.578 -20.999 1.00 43.25 C ATOM 941 O ILE A 60 -3.485 15.353 -22.191 1.00 32.54 O ATOM 942 CB ILE A 60 -3.671 13.666 -19.395 1.00 21.35 C ATOM 943 CG1 ILE A 60 -2.864 12.921 -18.330 1.00 4.13 C ATOM 944 CG2 ILE A 60 -4.029 12.734 -20.544 1.00 42.11 C ATOM 945 CD1 ILE A 60 -3.705 12.009 -17.464 1.00 64.44 C ATOM 0 H ILE A 60 -2.996 15.591 -17.947 1.00 23.24 H new ATOM 0 HA ILE A 60 -1.936 14.532 -20.341 1.00 50.12 H new ATOM 0 HB ILE A 60 -4.595 14.023 -18.940 1.00 21.35 H new ATOM 0 HG12 ILE A 60 -2.089 12.331 -18.819 1.00 4.13 H new ATOM 0 HG13 ILE A 60 -2.358 13.648 -17.694 1.00 4.13 H new ATOM 0 HG21 ILE A 60 -4.589 11.881 -20.160 1.00 42.11 H new ATOM 0 HG22 ILE A 60 -4.638 13.271 -21.271 1.00 42.11 H new ATOM 0 HG23 ILE A 60 -3.116 12.382 -21.025 1.00 42.11 H new ATOM 0 HD11 ILE A 60 -3.068 11.513 -16.732 1.00 64.44 H new ATOM 0 HD12 ILE A 60 -4.464 12.596 -16.947 1.00 64.44 H new ATOM 0 HD13 ILE A 60 -4.190 11.259 -18.089 1.00 64.44 H new ATOM 957 N LEU A 61 -4.621 16.429 -20.574 1.00 34.24 N ATOM 958 CA LEU A 61 -5.467 17.165 -21.508 1.00 30.43 C ATOM 959 C LEU A 61 -4.681 18.273 -22.201 1.00 61.12 C ATOM 960 O LEU A 61 -4.856 18.522 -23.392 1.00 21.14 O ATOM 961 CB LEU A 61 -6.671 17.760 -20.775 1.00 41.14 C ATOM 962 CG LEU A 61 -7.657 16.757 -20.177 1.00 21.22 C ATOM 963 CD1 LEU A 61 -8.538 17.429 -19.136 1.00 64.11 C ATOM 964 CD2 LEU A 61 -8.506 16.126 -21.271 1.00 12.40 C ATOM 0 H LEU A 61 -4.806 16.627 -19.591 1.00 34.24 H new ATOM 0 HA LEU A 61 -5.819 16.467 -22.267 1.00 30.43 H new ATOM 0 HB2 LEU A 61 -6.303 18.399 -19.973 1.00 41.14 H new ATOM 0 HB3 LEU A 61 -7.213 18.401 -21.470 1.00 41.14 H new ATOM 0 HG LEU A 61 -7.088 15.967 -19.686 1.00 21.22 H new ATOM 0 HD11 LEU A 61 -9.233 16.699 -18.722 1.00 64.11 H new ATOM 0 HD12 LEU A 61 -7.915 17.831 -18.337 1.00 64.11 H new ATOM 0 HD13 LEU A 61 -9.098 18.240 -19.602 1.00 64.11 H new ATOM 0 HD21 LEU A 61 -9.202 15.415 -20.827 1.00 12.40 H new ATOM 0 HD22 LEU A 61 -9.065 16.903 -21.792 1.00 12.40 H new ATOM 0 HD23 LEU A 61 -7.860 15.607 -21.979 1.00 12.40 H new ATOM 976 N GLY A 62 -3.809 18.934 -21.445 1.00 51.32 N ATOM 977 CA GLY A 62 -3.006 20.006 -22.004 1.00 71.25 C ATOM 978 C GLY A 62 -2.199 19.559 -23.207 1.00 3.14 C ATOM 979 O GLY A 62 -1.843 20.372 -24.060 1.00 4.53 O ATOM 0 H GLY A 62 -3.645 18.746 -20.456 1.00 51.32 H new ATOM 0 HA2 GLY A 62 -3.657 20.831 -22.293 1.00 71.25 H new ATOM 0 HA3 GLY A 62 -2.330 20.387 -21.238 1.00 71.25 H new ATOM 983 N GLN A 63 -1.909 18.263 -23.275 1.00 55.35 N ATOM 984 CA GLN A 63 -1.137 17.712 -24.382 1.00 60.43 C ATOM 985 C GLN A 63 -2.055 17.226 -25.498 1.00 14.33 C ATOM 986 O GLN A 63 -1.662 17.181 -26.664 1.00 31.31 O ATOM 987 CB GLN A 63 -0.257 16.559 -23.893 1.00 13.12 C ATOM 988 CG GLN A 63 1.187 16.963 -23.639 1.00 23.33 C ATOM 989 CD GLN A 63 1.987 15.868 -22.963 1.00 64.33 C ATOM 990 OE1 GLN A 63 1.850 14.688 -23.291 1.00 1.12 O ATOM 991 NE2 GLN A 63 2.831 16.251 -22.012 1.00 3.41 N ATOM 0 H GLN A 63 -2.197 17.577 -22.578 1.00 55.35 H new ATOM 0 HA GLN A 63 -0.502 18.504 -24.778 1.00 60.43 H new ATOM 0 HB2 GLN A 63 -0.680 16.155 -22.973 1.00 13.12 H new ATOM 0 HB3 GLN A 63 -0.277 15.758 -24.632 1.00 13.12 H new ATOM 0 HG2 GLN A 63 1.660 17.222 -24.586 1.00 23.33 H new ATOM 0 HG3 GLN A 63 1.206 17.858 -23.018 1.00 23.33 H new ATOM 0 HE21 GLN A 63 2.914 17.239 -21.771 1.00 3.41 H new ATOM 0 HE22 GLN A 63 3.396 15.557 -21.522 1.00 3.41 H new ATOM 1000 N LEU A 64 -3.281 16.866 -25.134 1.00 54.10 N ATOM 1001 CA LEU A 64 -4.257 16.384 -26.105 1.00 73.00 C ATOM 1002 C LEU A 64 -4.946 17.549 -26.809 1.00 34.15 C ATOM 1003 O LEU A 64 -5.418 17.414 -27.938 1.00 62.44 O ATOM 1004 CB LEU A 64 -5.299 15.502 -25.416 1.00 34.23 C ATOM 1005 CG LEU A 64 -4.787 14.177 -24.851 1.00 23.14 C ATOM 1006 CD1 LEU A 64 -5.833 13.542 -23.947 1.00 34.42 C ATOM 1007 CD2 LEU A 64 -4.408 13.227 -25.979 1.00 45.12 C ATOM 0 H LEU A 64 -3.623 16.899 -24.174 1.00 54.10 H new ATOM 0 HA LEU A 64 -3.727 15.793 -26.853 1.00 73.00 H new ATOM 0 HB2 LEU A 64 -5.748 16.072 -24.602 1.00 34.23 H new ATOM 0 HB3 LEU A 64 -6.094 15.287 -26.130 1.00 34.23 H new ATOM 0 HG LEU A 64 -3.896 14.378 -24.256 1.00 23.14 H new ATOM 0 HD11 LEU A 64 -5.451 12.600 -23.554 1.00 34.42 H new ATOM 0 HD12 LEU A 64 -6.057 14.216 -23.120 1.00 34.42 H new ATOM 0 HD13 LEU A 64 -6.742 13.355 -24.518 1.00 34.42 H new ATOM 0 HD21 LEU A 64 -4.046 12.289 -25.558 1.00 45.12 H new ATOM 0 HD22 LEU A 64 -5.282 13.032 -26.600 1.00 45.12 H new ATOM 0 HD23 LEU A 64 -3.624 13.679 -26.587 1.00 45.12 H new ATOM 1019 N GLN A 65 -5.000 18.693 -26.134 1.00 55.32 N ATOM 1020 CA GLN A 65 -5.630 19.882 -26.696 1.00 54.11 C ATOM 1021 C GLN A 65 -5.073 20.190 -28.082 1.00 23.14 C ATOM 1022 O GLN A 65 -5.793 20.189 -29.082 1.00 24.33 O ATOM 1023 CB GLN A 65 -5.420 21.082 -25.771 1.00 30.30 C ATOM 1024 CG GLN A 65 -6.657 21.460 -24.973 1.00 22.45 C ATOM 1025 CD GLN A 65 -6.522 22.805 -24.288 1.00 43.14 C ATOM 1026 OE1 GLN A 65 -6.374 23.837 -24.943 1.00 21.53 O ATOM 1027 NE2 GLN A 65 -6.572 22.801 -22.961 1.00 52.43 N ATOM 0 H GLN A 65 -4.615 18.821 -25.198 1.00 55.32 H new ATOM 0 HA GLN A 65 -6.698 19.686 -26.789 1.00 54.11 H new ATOM 0 HB2 GLN A 65 -4.607 20.860 -25.080 1.00 30.30 H new ATOM 0 HB3 GLN A 65 -5.107 21.939 -26.367 1.00 30.30 H new ATOM 0 HG2 GLN A 65 -7.521 21.480 -25.637 1.00 22.45 H new ATOM 0 HG3 GLN A 65 -6.849 20.693 -24.223 1.00 22.45 H new ATOM 0 HE21 GLN A 65 -6.696 21.922 -22.458 1.00 52.43 H new ATOM 0 HE22 GLN A 65 -6.486 23.677 -22.445 1.00 52.43 H new ATOM 1036 N PRO A 66 -3.761 20.462 -28.147 1.00 4.43 N ATOM 1037 CA PRO A 66 -3.079 20.776 -29.406 1.00 14.53 C ATOM 1038 C PRO A 66 -2.974 19.565 -30.326 1.00 73.05 C ATOM 1039 O PRO A 66 -2.735 19.705 -31.526 1.00 61.41 O ATOM 1040 CB PRO A 66 -1.688 21.226 -28.952 1.00 14.13 C ATOM 1041 CG PRO A 66 -1.484 20.559 -27.636 1.00 14.24 C ATOM 1042 CD PRO A 66 -2.843 20.482 -26.996 1.00 72.34 C ATOM 0 HA PRO A 66 -3.617 21.526 -29.986 1.00 14.53 H new ATOM 0 HB2 PRO A 66 -0.922 20.929 -29.669 1.00 14.13 H new ATOM 0 HB3 PRO A 66 -1.634 22.311 -28.859 1.00 14.13 H new ATOM 0 HG2 PRO A 66 -1.056 19.565 -27.765 1.00 14.24 H new ATOM 0 HG3 PRO A 66 -0.791 21.126 -27.014 1.00 14.24 H new ATOM 0 HD2 PRO A 66 -2.948 19.587 -26.382 1.00 72.34 H new ATOM 0 HD3 PRO A 66 -3.031 21.337 -26.347 1.00 72.34 H new ATOM 1050 N SER A 67 -3.153 18.378 -29.758 1.00 2.30 N ATOM 1051 CA SER A 67 -3.074 17.142 -30.527 1.00 22.00 C ATOM 1052 C SER A 67 -4.388 16.869 -31.252 1.00 5.03 C ATOM 1053 O SER A 67 -4.412 16.219 -32.297 1.00 60.53 O ATOM 1054 CB SER A 67 -2.730 15.967 -29.610 1.00 43.11 C ATOM 1055 OG SER A 67 -1.399 15.528 -29.821 1.00 62.25 O ATOM 0 H SER A 67 -3.354 18.245 -28.767 1.00 2.30 H new ATOM 0 HA SER A 67 -2.285 17.255 -31.271 1.00 22.00 H new ATOM 0 HB2 SER A 67 -2.857 16.265 -28.569 1.00 43.11 H new ATOM 0 HB3 SER A 67 -3.421 15.144 -29.793 1.00 43.11 H new ATOM 0 HG SER A 67 -1.203 14.778 -29.222 1.00 62.25 H new ATOM 1061 N LEU A 68 -5.482 17.370 -30.688 1.00 24.53 N ATOM 1062 CA LEU A 68 -6.803 17.180 -31.279 1.00 4.20 C ATOM 1063 C LEU A 68 -6.813 17.618 -32.739 1.00 32.51 C ATOM 1064 O LEU A 68 -7.573 17.089 -33.551 1.00 5.11 O ATOM 1065 CB LEU A 68 -7.853 17.965 -30.492 1.00 10.43 C ATOM 1066 CG LEU A 68 -8.279 17.361 -29.153 1.00 53.00 C ATOM 1067 CD1 LEU A 68 -8.556 18.458 -28.136 1.00 71.41 C ATOM 1068 CD2 LEU A 68 -9.504 16.477 -29.333 1.00 42.12 C ATOM 0 H LEU A 68 -5.481 17.910 -29.823 1.00 24.53 H new ATOM 0 HA LEU A 68 -7.045 16.118 -31.235 1.00 4.20 H new ATOM 0 HB2 LEU A 68 -7.466 18.967 -30.309 1.00 10.43 H new ATOM 0 HB3 LEU A 68 -8.739 18.075 -31.117 1.00 10.43 H new ATOM 0 HG LEU A 68 -7.462 16.744 -28.778 1.00 53.00 H new ATOM 0 HD11 LEU A 68 -8.858 18.009 -27.190 1.00 71.41 H new ATOM 0 HD12 LEU A 68 -7.654 19.051 -27.985 1.00 71.41 H new ATOM 0 HD13 LEU A 68 -9.355 19.101 -28.504 1.00 71.41 H new ATOM 0 HD21 LEU A 68 -9.793 16.056 -28.370 1.00 42.12 H new ATOM 0 HD22 LEU A 68 -10.326 17.072 -29.731 1.00 42.12 H new ATOM 0 HD23 LEU A 68 -9.271 15.670 -30.027 1.00 42.12 H new ATOM 1080 N GLN A 69 -5.964 18.586 -33.068 1.00 71.34 N ATOM 1081 CA GLN A 69 -5.874 19.094 -34.432 1.00 10.15 C ATOM 1082 C GLN A 69 -5.624 17.959 -35.420 1.00 43.11 C ATOM 1083 O GLN A 69 -6.255 17.890 -36.475 1.00 73.54 O ATOM 1084 CB GLN A 69 -4.759 20.135 -34.539 1.00 72.40 C ATOM 1085 CG GLN A 69 -4.635 20.753 -35.923 1.00 31.30 C ATOM 1086 CD GLN A 69 -3.465 21.712 -36.031 1.00 61.11 C ATOM 1087 OE1 GLN A 69 -2.313 21.330 -35.821 1.00 35.21 O ATOM 1088 NE2 GLN A 69 -3.756 22.965 -36.359 1.00 40.32 N ATOM 0 H GLN A 69 -5.328 19.035 -32.408 1.00 71.34 H new ATOM 0 HA GLN A 69 -6.825 19.565 -34.681 1.00 10.15 H new ATOM 0 HB2 GLN A 69 -4.941 20.926 -33.812 1.00 72.40 H new ATOM 0 HB3 GLN A 69 -3.811 19.668 -34.272 1.00 72.40 H new ATOM 0 HG2 GLN A 69 -4.519 19.960 -36.662 1.00 31.30 H new ATOM 0 HG3 GLN A 69 -5.557 21.282 -36.165 1.00 31.30 H new ATOM 0 HE21 GLN A 69 -4.725 23.237 -36.524 1.00 40.32 H new ATOM 0 HE22 GLN A 69 -3.010 23.656 -36.446 1.00 40.32 H new ATOM 1097 N THR A 70 -4.700 17.069 -35.071 1.00 13.41 N ATOM 1098 CA THR A 70 -4.365 15.939 -35.927 1.00 61.20 C ATOM 1099 C THR A 70 -4.321 14.640 -35.130 1.00 74.33 C ATOM 1100 O THR A 70 -3.428 13.815 -35.318 1.00 53.25 O ATOM 1101 CB THR A 70 -3.008 16.146 -36.626 1.00 2.31 C ATOM 1102 OG1 THR A 70 -2.015 16.527 -35.667 1.00 4.34 O ATOM 1103 CG2 THR A 70 -3.112 17.212 -37.706 1.00 24.42 C ATOM 0 H THR A 70 -4.170 17.110 -34.200 1.00 13.41 H new ATOM 0 HA THR A 70 -5.148 15.872 -36.683 1.00 61.20 H new ATOM 0 HB THR A 70 -2.719 15.205 -37.093 1.00 2.31 H new ATOM 0 HG1 THR A 70 -1.155 16.655 -36.120 1.00 4.34 H new ATOM 0 HG21 THR A 70 -2.141 17.340 -38.185 1.00 24.42 H new ATOM 0 HG22 THR A 70 -3.847 16.905 -38.451 1.00 24.42 H new ATOM 0 HG23 THR A 70 -3.423 18.156 -37.257 1.00 24.42 H new ATOM 1111 N GLY A 71 -5.292 14.465 -34.238 1.00 70.30 N ATOM 1112 CA GLY A 71 -5.344 13.262 -33.426 1.00 15.15 C ATOM 1113 C GLY A 71 -6.102 12.138 -34.104 1.00 12.25 C ATOM 1114 O GLY A 71 -6.843 12.368 -35.061 1.00 44.31 O ATOM 0 H GLY A 71 -6.042 15.133 -34.063 1.00 70.30 H new ATOM 0 HA2 GLY A 71 -4.329 12.931 -33.207 1.00 15.15 H new ATOM 0 HA3 GLY A 71 -5.818 13.492 -32.472 1.00 15.15 H new ATOM 1118 N SER A 72 -5.915 10.919 -33.610 1.00 23.14 N ATOM 1119 CA SER A 72 -6.583 9.753 -34.177 1.00 53.10 C ATOM 1120 C SER A 72 -7.720 9.285 -33.275 1.00 51.11 C ATOM 1121 O SER A 72 -8.072 9.955 -32.305 1.00 64.25 O ATOM 1122 CB SER A 72 -5.580 8.616 -34.385 1.00 32.41 C ATOM 1123 OG SER A 72 -5.447 7.832 -33.213 1.00 33.02 O ATOM 0 H SER A 72 -5.306 10.712 -32.818 1.00 23.14 H new ATOM 0 HA SER A 72 -7.003 10.039 -35.141 1.00 53.10 H new ATOM 0 HB2 SER A 72 -5.906 7.986 -35.212 1.00 32.41 H new ATOM 0 HB3 SER A 72 -4.610 9.029 -34.662 1.00 32.41 H new ATOM 0 HG SER A 72 -4.802 7.112 -33.373 1.00 33.02 H new ATOM 1129 N GLU A 73 -8.289 8.129 -33.602 1.00 12.11 N ATOM 1130 CA GLU A 73 -9.387 7.571 -32.822 1.00 43.52 C ATOM 1131 C GLU A 73 -9.017 7.489 -31.343 1.00 32.12 C ATOM 1132 O GLU A 73 -9.782 7.911 -30.477 1.00 23.31 O ATOM 1133 CB GLU A 73 -9.760 6.182 -33.343 1.00 63.34 C ATOM 1134 CG GLU A 73 -11.126 5.703 -32.881 1.00 53.14 C ATOM 1135 CD GLU A 73 -11.366 4.239 -33.189 1.00 61.33 C ATOM 1136 OE1 GLU A 73 -11.016 3.389 -32.343 1.00 75.41 O1- ATOM 1137 OE2 GLU A 73 -11.904 3.942 -34.276 1.00 61.55 O ATOM 0 H GLU A 73 -8.008 7.561 -34.401 1.00 12.11 H new ATOM 0 HA GLU A 73 -10.246 8.233 -32.928 1.00 43.52 H new ATOM 0 HB2 GLU A 73 -9.739 6.195 -34.433 1.00 63.34 H new ATOM 0 HB3 GLU A 73 -9.005 5.467 -33.018 1.00 63.34 H new ATOM 0 HG2 GLU A 73 -11.219 5.864 -31.807 1.00 53.14 H new ATOM 0 HG3 GLU A 73 -11.899 6.303 -33.362 1.00 53.14 H new ATOM 1144 N GLU A 74 -7.838 6.941 -31.064 1.00 52.22 N ATOM 1145 CA GLU A 74 -7.367 6.802 -29.691 1.00 54.10 C ATOM 1146 C GLU A 74 -7.261 8.164 -29.012 1.00 13.31 C ATOM 1147 O GLU A 74 -7.729 8.348 -27.887 1.00 45.52 O ATOM 1148 CB GLU A 74 -6.008 6.099 -29.664 1.00 11.42 C ATOM 1149 CG GLU A 74 -6.079 4.656 -29.194 1.00 43.31 C ATOM 1150 CD GLU A 74 -4.709 4.050 -28.961 1.00 52.34 C ATOM 1151 OE1 GLU A 74 -3.735 4.820 -28.822 1.00 63.41 O1- ATOM 1152 OE2 GLU A 74 -4.610 2.806 -28.916 1.00 1.20 O ATOM 0 H GLU A 74 -7.192 6.587 -31.770 1.00 52.22 H new ATOM 0 HA GLU A 74 -8.091 6.198 -29.144 1.00 54.10 H new ATOM 0 HB2 GLU A 74 -5.575 6.126 -30.664 1.00 11.42 H new ATOM 0 HB3 GLU A 74 -5.335 6.653 -29.010 1.00 11.42 H new ATOM 0 HG2 GLU A 74 -6.656 4.607 -28.270 1.00 43.31 H new ATOM 0 HG3 GLU A 74 -6.613 4.062 -29.936 1.00 43.31 H new ATOM 1159 N LEU A 75 -6.644 9.116 -29.701 1.00 73.23 N ATOM 1160 CA LEU A 75 -6.475 10.463 -29.166 1.00 43.05 C ATOM 1161 C LEU A 75 -7.825 11.086 -28.824 1.00 70.34 C ATOM 1162 O LEU A 75 -7.961 11.780 -27.817 1.00 11.01 O ATOM 1163 CB LEU A 75 -5.734 11.345 -30.173 1.00 42.15 C ATOM 1164 CG LEU A 75 -4.945 12.516 -29.586 1.00 22.04 C ATOM 1165 CD1 LEU A 75 -3.538 12.554 -30.161 1.00 43.11 C ATOM 1166 CD2 LEU A 75 -5.666 13.830 -29.849 1.00 33.13 C ATOM 0 H LEU A 75 -6.252 8.981 -30.633 1.00 73.23 H new ATOM 0 HA LEU A 75 -5.885 10.393 -28.252 1.00 43.05 H new ATOM 0 HB2 LEU A 75 -5.046 10.717 -30.739 1.00 42.15 H new ATOM 0 HB3 LEU A 75 -6.461 11.742 -30.882 1.00 42.15 H new ATOM 0 HG LEU A 75 -4.871 12.374 -28.508 1.00 22.04 H new ATOM 0 HD11 LEU A 75 -2.992 13.394 -29.731 1.00 43.11 H new ATOM 0 HD12 LEU A 75 -3.022 11.625 -29.921 1.00 43.11 H new ATOM 0 HD13 LEU A 75 -3.590 12.671 -31.243 1.00 43.11 H new ATOM 0 HD21 LEU A 75 -5.090 14.652 -29.424 1.00 33.13 H new ATOM 0 HD22 LEU A 75 -5.772 13.978 -30.924 1.00 33.13 H new ATOM 0 HD23 LEU A 75 -6.653 13.802 -29.388 1.00 33.13 H new ATOM 1178 N ARG A 76 -8.819 10.830 -29.668 1.00 53.32 N ATOM 1179 CA ARG A 76 -10.158 11.366 -29.455 1.00 3.31 C ATOM 1180 C ARG A 76 -10.804 10.741 -28.221 1.00 61.43 C ATOM 1181 O ARG A 76 -11.258 11.446 -27.321 1.00 62.14 O ATOM 1182 CB ARG A 76 -11.033 11.114 -30.684 1.00 63.53 C ATOM 1183 CG ARG A 76 -10.651 11.962 -31.887 1.00 2.05 C ATOM 1184 CD ARG A 76 -11.450 11.570 -33.121 1.00 61.24 C ATOM 1185 NE ARG A 76 -12.580 12.465 -33.349 1.00 2.42 N ATOM 1186 CZ ARG A 76 -13.455 12.308 -34.335 1.00 14.34 C ATOM 1187 NH1 ARG A 76 -13.331 11.295 -35.181 1.00 14.10 N1+ ATOM 1188 NH2 ARG A 76 -14.458 13.166 -34.477 1.00 20.41 N ATOM 0 H ARG A 76 -8.723 10.255 -30.505 1.00 53.32 H new ATOM 0 HA ARG A 76 -10.070 12.440 -29.294 1.00 3.31 H new ATOM 0 HB2 ARG A 76 -10.967 10.061 -30.957 1.00 63.53 H new ATOM 0 HB3 ARG A 76 -12.073 11.312 -30.426 1.00 63.53 H new ATOM 0 HG2 ARG A 76 -10.822 13.014 -31.661 1.00 2.05 H new ATOM 0 HG3 ARG A 76 -9.586 11.848 -32.090 1.00 2.05 H new ATOM 0 HD2 ARG A 76 -10.797 11.581 -33.994 1.00 61.24 H new ATOM 0 HD3 ARG A 76 -11.814 10.549 -33.008 1.00 61.24 H new ATOM 0 HE ARG A 76 -12.704 13.255 -32.716 1.00 2.42 H new ATOM 0 HH11 ARG A 76 -12.562 10.634 -35.075 1.00 14.10 H new ATOM 0 HH12 ARG A 76 -14.005 11.177 -35.938 1.00 14.10 H new ATOM 0 HH21 ARG A 76 -14.557 13.947 -33.828 1.00 20.41 H new ATOM 0 HH22 ARG A 76 -15.130 13.044 -35.235 1.00 20.41 H new ATOM 1202 N SER A 77 -10.841 9.412 -28.189 1.00 24.30 N ATOM 1203 CA SER A 77 -11.435 8.691 -27.069 1.00 41.04 C ATOM 1204 C SER A 77 -10.845 9.166 -25.744 1.00 72.41 C ATOM 1205 O SER A 77 -11.558 9.306 -24.749 1.00 42.44 O ATOM 1206 CB SER A 77 -11.212 7.186 -27.228 1.00 61.42 C ATOM 1207 OG SER A 77 -12.206 6.609 -28.058 1.00 64.25 O ATOM 0 H SER A 77 -10.467 8.813 -28.925 1.00 24.30 H new ATOM 0 HA SER A 77 -12.506 8.894 -27.065 1.00 41.04 H new ATOM 0 HB2 SER A 77 -10.226 7.004 -27.656 1.00 61.42 H new ATOM 0 HB3 SER A 77 -11.228 6.707 -26.249 1.00 61.42 H new ATOM 0 HG SER A 77 -12.041 5.647 -28.146 1.00 64.25 H new ATOM 1213 N LEU A 78 -9.540 9.412 -25.739 1.00 74.23 N ATOM 1214 CA LEU A 78 -8.853 9.871 -24.537 1.00 54.55 C ATOM 1215 C LEU A 78 -9.438 11.191 -24.046 1.00 4.54 C ATOM 1216 O LEU A 78 -9.893 11.294 -22.906 1.00 54.51 O ATOM 1217 CB LEU A 78 -7.357 10.035 -24.812 1.00 64.34 C ATOM 1218 CG LEU A 78 -6.449 8.930 -24.270 1.00 23.43 C ATOM 1219 CD1 LEU A 78 -6.615 8.795 -22.764 1.00 63.41 C ATOM 1220 CD2 LEU A 78 -6.748 7.608 -24.961 1.00 61.13 C ATOM 0 H LEU A 78 -8.936 9.301 -26.554 1.00 74.23 H new ATOM 0 HA LEU A 78 -8.994 9.120 -23.759 1.00 54.55 H new ATOM 0 HB2 LEU A 78 -7.211 10.101 -25.890 1.00 64.34 H new ATOM 0 HB3 LEU A 78 -7.032 10.985 -24.388 1.00 64.34 H new ATOM 0 HG LEU A 78 -5.414 9.201 -24.479 1.00 23.43 H new ATOM 0 HD11 LEU A 78 -5.962 8.004 -22.395 1.00 63.41 H new ATOM 0 HD12 LEU A 78 -6.352 9.737 -22.283 1.00 63.41 H new ATOM 0 HD13 LEU A 78 -7.651 8.547 -22.533 1.00 63.41 H new ATOM 0 HD21 LEU A 78 -6.093 6.833 -24.563 1.00 61.13 H new ATOM 0 HD22 LEU A 78 -7.787 7.331 -24.783 1.00 61.13 H new ATOM 0 HD23 LEU A 78 -6.579 7.711 -26.033 1.00 61.13 H new ATOM 1232 N TYR A 79 -9.426 12.197 -24.913 1.00 42.04 N ATOM 1233 CA TYR A 79 -9.955 13.511 -24.568 1.00 52.21 C ATOM 1234 C TYR A 79 -11.381 13.401 -24.037 1.00 41.31 C ATOM 1235 O TYR A 79 -11.816 14.214 -23.222 1.00 71.31 O ATOM 1236 CB TYR A 79 -9.922 14.434 -25.787 1.00 11.11 C ATOM 1237 CG TYR A 79 -9.793 15.899 -25.435 1.00 40.02 C ATOM 1238 CD1 TYR A 79 -8.639 16.390 -24.837 1.00 40.54 C ATOM 1239 CD2 TYR A 79 -10.825 16.791 -25.698 1.00 71.11 C ATOM 1240 CE1 TYR A 79 -8.516 17.727 -24.512 1.00 72.34 C ATOM 1241 CE2 TYR A 79 -10.710 18.130 -25.379 1.00 62.13 C ATOM 1242 CZ TYR A 79 -9.554 18.593 -24.785 1.00 75.00 C ATOM 1243 OH TYR A 79 -9.436 19.926 -24.464 1.00 20.03 O ATOM 0 H TYR A 79 -9.055 12.128 -25.861 1.00 42.04 H new ATOM 0 HA TYR A 79 -9.326 13.934 -23.784 1.00 52.21 H new ATOM 0 HB2 TYR A 79 -9.087 14.148 -26.426 1.00 11.11 H new ATOM 0 HB3 TYR A 79 -10.833 14.287 -26.368 1.00 11.11 H new ATOM 0 HD1 TYR A 79 -7.824 15.715 -24.623 1.00 40.54 H new ATOM 0 HD2 TYR A 79 -11.733 16.431 -26.160 1.00 71.11 H new ATOM 0 HE1 TYR A 79 -7.612 18.092 -24.047 1.00 72.34 H new ATOM 0 HE2 TYR A 79 -11.521 18.811 -25.593 1.00 62.13 H new ATOM 0 HH TYR A 79 -10.254 20.399 -24.723 1.00 20.03 H new ATOM 1253 N ASN A 80 -12.103 12.389 -24.505 1.00 31.11 N ATOM 1254 CA ASN A 80 -13.481 12.171 -24.079 1.00 11.12 C ATOM 1255 C ASN A 80 -13.532 11.670 -22.639 1.00 61.02 C ATOM 1256 O ASN A 80 -14.122 12.309 -21.768 1.00 41.42 O ATOM 1257 CB ASN A 80 -14.171 11.167 -25.004 1.00 74.30 C ATOM 1258 CG ASN A 80 -15.041 11.843 -26.046 1.00 54.23 C ATOM 1259 OD1 ASN A 80 -14.674 12.882 -26.597 1.00 1.11 O ATOM 1260 ND2 ASN A 80 -16.199 11.256 -26.321 1.00 34.15 N ATOM 0 H ASN A 80 -11.757 11.706 -25.180 1.00 31.11 H new ATOM 0 HA ASN A 80 -14.006 13.125 -24.133 1.00 11.12 H new ATOM 0 HB2 ASN A 80 -13.416 10.559 -25.504 1.00 74.30 H new ATOM 0 HB3 ASN A 80 -14.783 10.489 -24.408 1.00 74.30 H new ATOM 0 HD21 ASN A 80 -16.826 11.665 -27.014 1.00 34.15 H new ATOM 0 HD22 ASN A 80 -16.462 10.396 -25.840 1.00 34.15 H new ATOM 1267 N THR A 81 -12.908 10.522 -22.395 1.00 51.33 N ATOM 1268 CA THR A 81 -12.881 9.934 -21.061 1.00 15.05 C ATOM 1269 C THR A 81 -12.219 10.873 -20.060 1.00 11.53 C ATOM 1270 O THR A 81 -12.788 11.177 -19.010 1.00 13.11 O ATOM 1271 CB THR A 81 -12.134 8.588 -21.055 1.00 71.54 C ATOM 1272 OG1 THR A 81 -12.700 7.709 -22.034 1.00 60.52 O ATOM 1273 CG2 THR A 81 -12.203 7.937 -19.682 1.00 22.42 C ATOM 0 H THR A 81 -12.414 9.980 -23.104 1.00 51.33 H new ATOM 0 HA THR A 81 -13.918 9.767 -20.769 1.00 15.05 H new ATOM 0 HB THR A 81 -11.088 8.777 -21.298 1.00 71.54 H new ATOM 0 HG1 THR A 81 -12.218 6.856 -22.025 1.00 60.52 H new ATOM 0 HG21 THR A 81 -11.668 6.987 -19.702 1.00 22.42 H new ATOM 0 HG22 THR A 81 -11.745 8.595 -18.944 1.00 22.42 H new ATOM 0 HG23 THR A 81 -13.245 7.761 -19.415 1.00 22.42 H new ATOM 1281 N ILE A 82 -11.017 11.332 -20.389 1.00 71.42 N ATOM 1282 CA ILE A 82 -10.280 12.239 -19.519 1.00 50.13 C ATOM 1283 C ILE A 82 -11.121 13.458 -19.156 1.00 14.31 C ATOM 1284 O ILE A 82 -11.012 13.995 -18.055 1.00 44.53 O ATOM 1285 CB ILE A 82 -8.969 12.710 -20.177 1.00 13.13 C ATOM 1286 CG1 ILE A 82 -8.092 11.509 -20.534 1.00 61.53 C ATOM 1287 CG2 ILE A 82 -8.224 13.661 -19.252 1.00 25.21 C ATOM 1288 CD1 ILE A 82 -6.958 11.848 -21.477 1.00 40.14 C ATOM 0 H ILE A 82 -10.532 11.090 -21.253 1.00 71.42 H new ATOM 0 HA ILE A 82 -10.042 11.682 -18.613 1.00 50.13 H new ATOM 0 HB ILE A 82 -9.212 13.244 -21.096 1.00 13.13 H new ATOM 0 HG12 ILE A 82 -7.678 11.086 -19.618 1.00 61.53 H new ATOM 0 HG13 ILE A 82 -8.714 10.738 -20.989 1.00 61.53 H new ATOM 0 HG21 ILE A 82 -7.300 13.985 -19.731 1.00 25.21 H new ATOM 0 HG22 ILE A 82 -8.849 14.530 -19.044 1.00 25.21 H new ATOM 0 HG23 ILE A 82 -7.989 13.151 -18.318 1.00 25.21 H new ATOM 0 HD11 ILE A 82 -6.378 10.949 -21.686 1.00 40.14 H new ATOM 0 HD12 ILE A 82 -7.365 12.243 -22.408 1.00 40.14 H new ATOM 0 HD13 ILE A 82 -6.313 12.597 -21.017 1.00 40.14 H new ATOM 1300 N ALA A 83 -11.961 13.889 -20.091 1.00 10.54 N ATOM 1301 CA ALA A 83 -12.824 15.043 -19.869 1.00 25.11 C ATOM 1302 C ALA A 83 -13.838 14.765 -18.764 1.00 74.32 C ATOM 1303 O ALA A 83 -13.879 15.469 -17.755 1.00 5.31 O ATOM 1304 CB ALA A 83 -13.537 15.424 -21.157 1.00 35.32 C ATOM 0 H ALA A 83 -12.062 13.457 -21.009 1.00 10.54 H new ATOM 0 HA ALA A 83 -12.199 15.878 -19.552 1.00 25.11 H new ATOM 0 HB1 ALA A 83 -14.178 16.287 -20.977 1.00 35.32 H new ATOM 0 HB2 ALA A 83 -12.800 15.673 -21.921 1.00 35.32 H new ATOM 0 HB3 ALA A 83 -14.145 14.586 -21.498 1.00 35.32 H new ATOM 1310 N VAL A 84 -14.655 13.735 -18.962 1.00 53.54 N ATOM 1311 CA VAL A 84 -15.669 13.365 -17.982 1.00 3.21 C ATOM 1312 C VAL A 84 -15.050 13.151 -16.605 1.00 5.23 C ATOM 1313 O VAL A 84 -15.644 13.499 -15.583 1.00 32.54 O ATOM 1314 CB VAL A 84 -16.414 12.085 -18.402 1.00 3.02 C ATOM 1315 CG1 VAL A 84 -17.479 11.725 -17.377 1.00 11.14 C ATOM 1316 CG2 VAL A 84 -17.028 12.255 -19.782 1.00 34.52 C ATOM 0 H VAL A 84 -14.634 13.142 -19.792 1.00 53.54 H new ATOM 0 HA VAL A 84 -16.379 14.191 -17.934 1.00 3.21 H new ATOM 0 HB VAL A 84 -15.696 11.266 -18.447 1.00 3.02 H new ATOM 0 HG11 VAL A 84 -17.995 10.818 -17.691 1.00 11.14 H new ATOM 0 HG12 VAL A 84 -17.009 11.558 -16.408 1.00 11.14 H new ATOM 0 HG13 VAL A 84 -18.197 12.541 -17.297 1.00 11.14 H new ATOM 0 HG21 VAL A 84 -17.551 11.341 -20.063 1.00 34.52 H new ATOM 0 HG22 VAL A 84 -17.733 13.086 -19.767 1.00 34.52 H new ATOM 0 HG23 VAL A 84 -16.241 12.461 -20.508 1.00 34.52 H new ATOM 1326 N LEU A 85 -13.852 12.576 -16.584 1.00 14.44 N ATOM 1327 CA LEU A 85 -13.151 12.316 -15.331 1.00 21.31 C ATOM 1328 C LEU A 85 -12.654 13.615 -14.706 1.00 3.51 C ATOM 1329 O LEU A 85 -12.954 13.914 -13.549 1.00 22.42 O ATOM 1330 CB LEU A 85 -11.974 11.369 -15.571 1.00 70.44 C ATOM 1331 CG LEU A 85 -11.622 10.430 -14.417 1.00 25.02 C ATOM 1332 CD1 LEU A 85 -12.012 8.999 -14.755 1.00 73.34 C ATOM 1333 CD2 LEU A 85 -10.138 10.517 -14.091 1.00 12.43 C ATOM 0 H LEU A 85 -13.346 12.281 -17.419 1.00 14.44 H new ATOM 0 HA LEU A 85 -13.852 11.847 -14.640 1.00 21.31 H new ATOM 0 HB2 LEU A 85 -12.194 10.764 -16.451 1.00 70.44 H new ATOM 0 HB3 LEU A 85 -11.094 11.968 -15.807 1.00 70.44 H new ATOM 0 HG LEU A 85 -12.185 10.741 -13.537 1.00 25.02 H new ATOM 0 HD11 LEU A 85 -11.754 8.345 -13.922 1.00 73.34 H new ATOM 0 HD12 LEU A 85 -13.085 8.948 -14.937 1.00 73.34 H new ATOM 0 HD13 LEU A 85 -11.477 8.677 -15.648 1.00 73.34 H new ATOM 0 HD21 LEU A 85 -9.906 9.842 -13.267 1.00 12.43 H new ATOM 0 HD22 LEU A 85 -9.556 10.233 -14.968 1.00 12.43 H new ATOM 0 HD23 LEU A 85 -9.888 11.538 -13.804 1.00 12.43 H new ATOM 1345 N TYR A 86 -11.894 14.385 -15.477 1.00 13.23 N ATOM 1346 CA TYR A 86 -11.356 15.652 -14.997 1.00 55.40 C ATOM 1347 C TYR A 86 -12.461 16.530 -14.416 1.00 24.50 C ATOM 1348 O TYR A 86 -12.321 17.082 -13.325 1.00 4.05 O ATOM 1349 CB TYR A 86 -10.648 16.392 -16.134 1.00 64.55 C ATOM 1350 CG TYR A 86 -10.175 17.777 -15.753 1.00 71.44 C ATOM 1351 CD1 TYR A 86 -9.042 17.954 -14.970 1.00 74.25 C ATOM 1352 CD2 TYR A 86 -10.862 18.907 -16.178 1.00 72.25 C ATOM 1353 CE1 TYR A 86 -8.606 19.218 -14.620 1.00 1.44 C ATOM 1354 CE2 TYR A 86 -10.434 20.175 -15.833 1.00 62.33 C ATOM 1355 CZ TYR A 86 -9.306 20.325 -15.054 1.00 70.25 C ATOM 1356 OH TYR A 86 -8.875 21.585 -14.708 1.00 62.13 O ATOM 0 H TYR A 86 -11.637 14.154 -16.437 1.00 13.23 H new ATOM 0 HA TYR A 86 -10.636 15.435 -14.207 1.00 55.40 H new ATOM 0 HB2 TYR A 86 -9.792 15.802 -16.462 1.00 64.55 H new ATOM 0 HB3 TYR A 86 -11.326 16.470 -16.984 1.00 64.55 H new ATOM 0 HD1 TYR A 86 -8.492 17.089 -14.629 1.00 74.25 H new ATOM 0 HD2 TYR A 86 -11.746 18.793 -16.788 1.00 72.25 H new ATOM 0 HE1 TYR A 86 -7.723 19.338 -14.010 1.00 1.44 H new ATOM 0 HE2 TYR A 86 -10.980 21.043 -16.171 1.00 62.33 H new ATOM 0 HH TYR A 86 -9.478 22.254 -15.094 1.00 62.13 H new ATOM 1366 N CYS A 87 -13.559 16.651 -15.154 1.00 32.05 N ATOM 1367 CA CYS A 87 -14.690 17.460 -14.714 1.00 0.33 C ATOM 1368 C CYS A 87 -15.126 17.066 -13.306 1.00 73.02 C ATOM 1369 O CYS A 87 -15.414 17.923 -12.471 1.00 0.15 O ATOM 1370 CB CYS A 87 -15.862 17.309 -15.684 1.00 74.21 C ATOM 1371 SG CYS A 87 -15.857 18.507 -17.039 1.00 71.20 S ATOM 0 H CYS A 87 -13.690 16.199 -16.059 1.00 32.05 H new ATOM 0 HA CYS A 87 -14.373 18.503 -14.699 1.00 0.33 H new ATOM 0 HB2 CYS A 87 -15.846 16.303 -16.103 1.00 74.21 H new ATOM 0 HB3 CYS A 87 -16.795 17.408 -15.129 1.00 74.21 H new ATOM 0 HG CYS A 87 -15.137 18.049 -18.020 1.00 71.20 H new ATOM 1377 N VAL A 88 -15.174 15.762 -13.051 1.00 43.31 N ATOM 1378 CA VAL A 88 -15.576 15.253 -11.745 1.00 40.42 C ATOM 1379 C VAL A 88 -14.645 15.759 -10.648 1.00 65.45 C ATOM 1380 O VAL A 88 -15.094 16.156 -9.573 1.00 60.03 O ATOM 1381 CB VAL A 88 -15.589 13.713 -11.722 1.00 72.33 C ATOM 1382 CG1 VAL A 88 -16.021 13.202 -10.357 1.00 24.14 C ATOM 1383 CG2 VAL A 88 -16.497 13.172 -12.816 1.00 33.14 C ATOM 0 H VAL A 88 -14.940 15.039 -13.731 1.00 43.31 H new ATOM 0 HA VAL A 88 -16.585 15.620 -11.559 1.00 40.42 H new ATOM 0 HB VAL A 88 -14.577 13.356 -11.912 1.00 72.33 H new ATOM 0 HG11 VAL A 88 -16.024 12.112 -10.361 1.00 24.14 H new ATOM 0 HG12 VAL A 88 -15.326 13.560 -9.598 1.00 24.14 H new ATOM 0 HG13 VAL A 88 -17.023 13.567 -10.132 1.00 24.14 H new ATOM 0 HG21 VAL A 88 -16.494 12.082 -12.785 1.00 33.14 H new ATOM 0 HG22 VAL A 88 -17.512 13.537 -12.660 1.00 33.14 H new ATOM 0 HG23 VAL A 88 -16.136 13.508 -13.788 1.00 33.14 H new ATOM 1393 N HIS A 89 -13.345 15.741 -10.928 1.00 40.31 N ATOM 1394 CA HIS A 89 -12.349 16.199 -9.965 1.00 65.41 C ATOM 1395 C HIS A 89 -12.391 17.718 -9.823 1.00 62.21 C ATOM 1396 O HIS A 89 -11.913 18.202 -8.797 1.00 31.01 O ATOM 1397 CB HIS A 89 -10.950 15.753 -10.395 1.00 13.44 C ATOM 1398 CG HIS A 89 -10.788 14.266 -10.454 1.00 11.41 C ATOM 1399 ND1 HIS A 89 -11.604 13.391 -9.769 1.00 45.41 N ATOM 1400 CD2 HIS A 89 -9.896 13.499 -11.124 1.00 21.32 C ATOM 1401 CE1 HIS A 89 -11.221 12.151 -10.013 1.00 31.41 C ATOM 1402 NE2 HIS A 89 -10.186 12.189 -10.835 1.00 12.43 N ATOM 0 H HIS A 89 -12.957 15.414 -11.813 1.00 40.31 H new ATOM 0 HA HIS A 89 -12.582 15.754 -8.998 1.00 65.41 H new ATOM 0 HB2 HIS A 89 -10.729 16.174 -11.376 1.00 13.44 H new ATOM 0 HB3 HIS A 89 -10.217 16.163 -9.700 1.00 13.44 H new ATOM 0 HD1 HIS A 89 -12.383 13.660 -9.167 1.00 45.41 H new ATOM 0 HD2 HIS A 89 -9.103 13.852 -11.767 1.00 21.32 H new ATOM 0 HE1 HIS A 89 -11.676 11.258 -9.610 1.00 31.41 H new ATOM 0 HE2 HIS A 89 -9.685 11.377 -11.196 1.00 12.43 H new ATOM 1411 N GLN A 90 -12.929 18.454 -10.789 1.00 2.23 N ATOM 1412 CA GLN A 90 -12.990 19.908 -10.697 1.00 4.24 C ATOM 1413 C GLN A 90 -14.347 20.364 -10.170 1.00 30.21 C ATOM 1414 O GLN A 90 -14.791 21.478 -10.449 1.00 70.44 O ATOM 1415 CB GLN A 90 -12.723 20.538 -12.065 1.00 13.41 C ATOM 1416 CG GLN A 90 -11.248 20.611 -12.424 1.00 44.31 C ATOM 1417 CD GLN A 90 -10.424 21.320 -11.367 1.00 34.52 C ATOM 1418 OE1 GLN A 90 -10.930 22.174 -10.639 1.00 55.40 O ATOM 1419 NE2 GLN A 90 -9.147 20.969 -11.278 1.00 23.21 N ATOM 0 H GLN A 90 -13.329 18.068 -11.644 1.00 2.23 H new ATOM 0 HA GLN A 90 -12.221 20.235 -9.998 1.00 4.24 H new ATOM 0 HB2 GLN A 90 -13.246 19.963 -12.829 1.00 13.41 H new ATOM 0 HB3 GLN A 90 -13.142 21.544 -12.080 1.00 13.41 H new ATOM 0 HG2 GLN A 90 -10.862 19.601 -12.564 1.00 44.31 H new ATOM 0 HG3 GLN A 90 -11.135 21.130 -13.376 1.00 44.31 H new ATOM 0 HE21 GLN A 90 -8.769 20.256 -11.902 1.00 23.21 H new ATOM 0 HE22 GLN A 90 -8.543 21.412 -10.586 1.00 23.21 H new ATOM 1428 N ARG A 91 -15.003 19.495 -9.407 1.00 44.45 N ATOM 1429 CA ARG A 91 -16.310 19.808 -8.842 1.00 51.44 C ATOM 1430 C ARG A 91 -17.299 20.188 -9.940 1.00 63.34 C ATOM 1431 O ARG A 91 -18.258 20.922 -9.698 1.00 70.05 O ATOM 1432 CB ARG A 91 -16.191 20.949 -7.829 1.00 34.44 C ATOM 1433 CG ARG A 91 -15.690 20.504 -6.467 1.00 44.31 C ATOM 1434 CD ARG A 91 -16.771 19.772 -5.686 1.00 71.04 C ATOM 1435 NE ARG A 91 -16.361 19.494 -4.312 1.00 53.13 N ATOM 1436 CZ ARG A 91 -16.393 20.398 -3.340 1.00 3.32 C ATOM 1437 NH1 ARG A 91 -16.814 21.631 -3.589 1.00 10.20 N1+ ATOM 1438 NH2 ARG A 91 -16.004 20.070 -2.114 1.00 4.24 N ATOM 0 H ARG A 91 -14.650 18.569 -9.166 1.00 44.45 H new ATOM 0 HA ARG A 91 -16.682 18.918 -8.334 1.00 51.44 H new ATOM 0 HB2 ARG A 91 -15.515 21.706 -8.226 1.00 34.44 H new ATOM 0 HB3 ARG A 91 -17.166 21.422 -7.711 1.00 34.44 H new ATOM 0 HG2 ARG A 91 -14.825 19.852 -6.592 1.00 44.31 H new ATOM 0 HG3 ARG A 91 -15.355 21.373 -5.900 1.00 44.31 H new ATOM 0 HD2 ARG A 91 -17.681 20.371 -5.678 1.00 71.04 H new ATOM 0 HD3 ARG A 91 -17.010 18.835 -6.189 1.00 71.04 H new ATOM 0 HE ARG A 91 -16.032 18.555 -4.087 1.00 53.13 H new ATOM 0 HH11 ARG A 91 -17.114 21.887 -4.529 1.00 10.20 H new ATOM 0 HH12 ARG A 91 -16.837 22.323 -2.840 1.00 10.20 H new ATOM 0 HH21 ARG A 91 -15.680 19.123 -1.918 1.00 4.24 H new ATOM 0 HH22 ARG A 91 -16.029 20.765 -1.368 1.00 4.24 H new ATOM 1452 N ILE A 92 -17.060 19.682 -11.145 1.00 14.32 N ATOM 1453 CA ILE A 92 -17.930 19.969 -12.279 1.00 13.11 C ATOM 1454 C ILE A 92 -18.947 18.852 -12.487 1.00 10.13 C ATOM 1455 O ILE A 92 -18.597 17.672 -12.483 1.00 3.34 O ATOM 1456 CB ILE A 92 -17.121 20.158 -13.576 1.00 15.25 C ATOM 1457 CG1 ILE A 92 -15.963 21.131 -13.343 1.00 70.01 C ATOM 1458 CG2 ILE A 92 -18.023 20.660 -14.694 1.00 41.25 C ATOM 1459 CD1 ILE A 92 -15.107 21.358 -14.570 1.00 24.42 C ATOM 0 H ILE A 92 -16.272 19.072 -11.361 1.00 14.32 H new ATOM 0 HA ILE A 92 -18.453 20.897 -12.048 1.00 13.11 H new ATOM 0 HB ILE A 92 -16.708 19.194 -13.873 1.00 15.25 H new ATOM 0 HG12 ILE A 92 -16.365 22.087 -13.008 1.00 70.01 H new ATOM 0 HG13 ILE A 92 -15.335 20.750 -12.538 1.00 70.01 H new ATOM 0 HG21 ILE A 92 -17.437 20.789 -15.604 1.00 41.25 H new ATOM 0 HG22 ILE A 92 -18.818 19.936 -14.873 1.00 41.25 H new ATOM 0 HG23 ILE A 92 -18.461 21.616 -14.406 1.00 41.25 H new ATOM 0 HD11 ILE A 92 -14.307 22.058 -14.331 1.00 24.42 H new ATOM 0 HD12 ILE A 92 -14.676 20.411 -14.893 1.00 24.42 H new ATOM 0 HD13 ILE A 92 -15.721 21.769 -15.371 1.00 24.42 H new ATOM 1471 N ASP A 93 -20.207 19.233 -12.670 1.00 61.22 N ATOM 1472 CA ASP A 93 -21.276 18.264 -12.882 1.00 55.24 C ATOM 1473 C ASP A 93 -21.785 18.324 -14.319 1.00 5.23 C ATOM 1474 O ASP A 93 -22.472 19.269 -14.706 1.00 5.45 O ATOM 1475 CB ASP A 93 -22.427 18.520 -11.908 1.00 71.13 C ATOM 1476 CG ASP A 93 -23.698 17.803 -12.314 1.00 3.14 C ATOM 1477 OD1 ASP A 93 -23.742 16.561 -12.198 1.00 61.23 O1- ATOM 1478 OD2 ASP A 93 -24.651 18.484 -12.748 1.00 71.20 O ATOM 0 H ASP A 93 -20.513 20.206 -12.676 1.00 61.22 H new ATOM 0 HA ASP A 93 -20.872 17.268 -12.699 1.00 55.24 H new ATOM 0 HB2 ASP A 93 -22.133 18.196 -10.910 1.00 71.13 H new ATOM 0 HB3 ASP A 93 -22.620 19.591 -11.851 1.00 71.13 H new ATOM 1483 N VAL A 94 -21.443 17.309 -15.106 1.00 1.11 N ATOM 1484 CA VAL A 94 -21.866 17.245 -16.500 1.00 13.31 C ATOM 1485 C VAL A 94 -22.760 16.035 -16.749 1.00 63.02 C ATOM 1486 O VAL A 94 -22.687 15.038 -16.031 1.00 44.14 O ATOM 1487 CB VAL A 94 -20.657 17.182 -17.451 1.00 23.11 C ATOM 1488 CG1 VAL A 94 -19.798 18.429 -17.308 1.00 3.35 C ATOM 1489 CG2 VAL A 94 -19.838 15.927 -17.187 1.00 21.12 C ATOM 0 H VAL A 94 -20.874 16.519 -14.802 1.00 1.11 H new ATOM 0 HA VAL A 94 -22.430 18.156 -16.702 1.00 13.31 H new ATOM 0 HB VAL A 94 -21.025 17.140 -18.476 1.00 23.11 H new ATOM 0 HG11 VAL A 94 -18.949 18.366 -17.988 1.00 3.35 H new ATOM 0 HG12 VAL A 94 -20.392 19.310 -17.551 1.00 3.35 H new ATOM 0 HG13 VAL A 94 -19.437 18.506 -16.283 1.00 3.35 H new ATOM 0 HG21 VAL A 94 -18.987 15.898 -17.868 1.00 21.12 H new ATOM 0 HG22 VAL A 94 -19.479 15.937 -16.158 1.00 21.12 H new ATOM 0 HG23 VAL A 94 -20.460 15.046 -17.346 1.00 21.12 H new ATOM 1499 N LYS A 95 -23.602 16.129 -17.772 1.00 71.01 N ATOM 1500 CA LYS A 95 -24.509 15.041 -18.119 1.00 12.42 C ATOM 1501 C LYS A 95 -23.878 14.116 -19.153 1.00 61.22 C ATOM 1502 O LYS A 95 -24.109 12.907 -19.141 1.00 4.24 O ATOM 1503 CB LYS A 95 -25.827 15.602 -18.657 1.00 2.14 C ATOM 1504 CG LYS A 95 -27.024 14.707 -18.386 1.00 31.31 C ATOM 1505 CD LYS A 95 -27.996 14.708 -19.554 1.00 20.14 C ATOM 1506 CE LYS A 95 -29.204 13.824 -19.275 1.00 53.44 C ATOM 1507 NZ LYS A 95 -30.105 13.728 -20.457 1.00 42.05 N1+ ATOM 0 H LYS A 95 -23.675 16.948 -18.376 1.00 71.01 H new ATOM 0 HA LYS A 95 -24.708 14.464 -17.216 1.00 12.42 H new ATOM 0 HB2 LYS A 95 -26.006 16.580 -18.209 1.00 2.14 H new ATOM 0 HB3 LYS A 95 -25.735 15.756 -19.732 1.00 2.14 H new ATOM 0 HG2 LYS A 95 -26.683 13.689 -18.196 1.00 31.31 H new ATOM 0 HG3 LYS A 95 -27.536 15.045 -17.485 1.00 31.31 H new ATOM 0 HD2 LYS A 95 -28.328 15.727 -19.752 1.00 20.14 H new ATOM 0 HD3 LYS A 95 -27.487 14.358 -20.452 1.00 20.14 H new ATOM 0 HE2 LYS A 95 -28.867 12.826 -18.993 1.00 53.44 H new ATOM 0 HE3 LYS A 95 -29.759 14.224 -18.427 1.00 53.44 H new ATOM 0 HZ1 LYS A 95 -30.915 13.118 -20.227 1.00 42.05 H new ATOM 0 HZ2 LYS A 95 -30.447 14.677 -20.711 1.00 42.05 H new ATOM 0 HZ3 LYS A 95 -29.583 13.322 -21.260 1.00 42.05 H new ATOM 1521 N ASP A 96 -23.079 14.690 -20.046 1.00 72.02 N ATOM 1522 CA ASP A 96 -22.412 13.916 -21.085 1.00 71.40 C ATOM 1523 C ASP A 96 -20.985 14.408 -21.299 1.00 52.42 C ATOM 1524 O ASP A 96 -20.540 15.359 -20.655 1.00 5.43 O ATOM 1525 CB ASP A 96 -23.195 14.000 -22.397 1.00 1.54 C ATOM 1526 CG ASP A 96 -23.700 15.402 -22.680 1.00 50.13 C ATOM 1527 OD1 ASP A 96 -22.862 16.321 -22.799 1.00 34.12 O ATOM 1528 OD2 ASP A 96 -24.931 15.580 -22.783 1.00 62.34 O1- ATOM 0 H ASP A 96 -22.878 15.690 -20.071 1.00 72.02 H new ATOM 0 HA ASP A 96 -22.374 12.877 -20.759 1.00 71.40 H new ATOM 0 HB2 ASP A 96 -22.558 13.673 -23.219 1.00 1.54 H new ATOM 0 HB3 ASP A 96 -24.041 13.313 -22.357 1.00 1.54 H new ATOM 1533 N THR A 97 -20.268 13.755 -22.208 1.00 43.04 N ATOM 1534 CA THR A 97 -18.890 14.124 -22.505 1.00 74.54 C ATOM 1535 C THR A 97 -18.820 15.489 -23.182 1.00 70.44 C ATOM 1536 O THR A 97 -17.864 16.240 -22.991 1.00 0.33 O ATOM 1537 CB THR A 97 -18.210 13.079 -23.411 1.00 12.52 C ATOM 1538 OG1 THR A 97 -18.389 11.768 -22.865 1.00 65.20 O ATOM 1539 CG2 THR A 97 -16.725 13.375 -23.558 1.00 22.01 C ATOM 0 H THR A 97 -20.620 12.967 -22.752 1.00 43.04 H new ATOM 0 HA THR A 97 -18.362 14.166 -21.552 1.00 74.54 H new ATOM 0 HB THR A 97 -18.673 13.128 -24.397 1.00 12.52 H new ATOM 0 HG1 THR A 97 -19.340 11.618 -22.680 1.00 65.20 H new ATOM 0 HG21 THR A 97 -16.266 12.624 -24.202 1.00 22.01 H new ATOM 0 HG22 THR A 97 -16.593 14.362 -24.001 1.00 22.01 H new ATOM 0 HG23 THR A 97 -16.250 13.351 -22.577 1.00 22.01 H new ATOM 1547 N LYS A 98 -19.839 15.803 -23.975 1.00 31.11 N ATOM 1548 CA LYS A 98 -19.896 17.078 -24.680 1.00 62.13 C ATOM 1549 C LYS A 98 -19.822 18.245 -23.700 1.00 1.31 C ATOM 1550 O LYS A 98 -18.938 19.095 -23.799 1.00 53.11 O ATOM 1551 CB LYS A 98 -21.181 17.171 -25.505 1.00 52.44 C ATOM 1552 CG LYS A 98 -21.259 18.418 -26.369 1.00 34.42 C ATOM 1553 CD LYS A 98 -21.729 18.091 -27.777 1.00 23.41 C ATOM 1554 CE LYS A 98 -22.619 19.190 -28.336 1.00 34.45 C ATOM 1555 NZ LYS A 98 -22.001 19.861 -29.514 1.00 63.15 N1+ ATOM 0 H LYS A 98 -20.637 15.191 -24.146 1.00 31.11 H new ATOM 0 HA LYS A 98 -19.038 17.134 -25.349 1.00 62.13 H new ATOM 0 HB2 LYS A 98 -21.257 16.291 -26.144 1.00 52.44 H new ATOM 0 HB3 LYS A 98 -22.038 17.151 -24.831 1.00 52.44 H new ATOM 0 HG2 LYS A 98 -21.942 19.135 -25.914 1.00 34.42 H new ATOM 0 HG3 LYS A 98 -20.279 18.894 -26.413 1.00 34.42 H new ATOM 0 HD2 LYS A 98 -20.865 17.955 -28.428 1.00 23.41 H new ATOM 0 HD3 LYS A 98 -22.275 17.148 -27.770 1.00 23.41 H new ATOM 0 HE2 LYS A 98 -23.581 18.767 -28.623 1.00 34.45 H new ATOM 0 HE3 LYS A 98 -22.815 19.929 -27.559 1.00 34.45 H new ATOM 0 HZ1 LYS A 98 -22.639 20.603 -29.865 1.00 63.15 H new ATOM 0 HZ2 LYS A 98 -21.094 20.287 -29.235 1.00 63.15 H new ATOM 0 HZ3 LYS A 98 -21.837 19.161 -30.266 1.00 63.15 H new ATOM 1569 N GLU A 99 -20.756 18.277 -22.754 1.00 54.04 N ATOM 1570 CA GLU A 99 -20.794 19.340 -21.757 1.00 11.01 C ATOM 1571 C GLU A 99 -19.498 19.381 -20.954 1.00 45.02 C ATOM 1572 O GLU A 99 -19.084 20.437 -20.476 1.00 32.30 O ATOM 1573 CB GLU A 99 -21.984 19.142 -20.815 1.00 54.21 C ATOM 1574 CG GLU A 99 -23.278 19.748 -21.332 1.00 11.13 C ATOM 1575 CD GLU A 99 -24.397 19.692 -20.311 1.00 14.13 C ATOM 1576 OE1 GLU A 99 -24.213 20.230 -19.200 1.00 51.41 O ATOM 1577 OE2 GLU A 99 -25.458 19.112 -20.624 1.00 74.31 O1- ATOM 0 H GLU A 99 -21.495 17.580 -22.658 1.00 54.04 H new ATOM 0 HA GLU A 99 -20.906 20.290 -22.280 1.00 11.01 H new ATOM 0 HB2 GLU A 99 -22.133 18.075 -20.651 1.00 54.21 H new ATOM 0 HB3 GLU A 99 -21.747 19.583 -19.847 1.00 54.21 H new ATOM 0 HG2 GLU A 99 -23.101 20.786 -21.615 1.00 11.13 H new ATOM 0 HG3 GLU A 99 -23.587 19.220 -22.234 1.00 11.13 H new ATOM 1584 N ALA A 100 -18.862 18.224 -20.809 1.00 62.43 N ATOM 1585 CA ALA A 100 -17.611 18.126 -20.067 1.00 45.20 C ATOM 1586 C ALA A 100 -16.484 18.853 -20.791 1.00 52.11 C ATOM 1587 O ALA A 100 -15.578 19.402 -20.161 1.00 23.53 O ATOM 1588 CB ALA A 100 -17.242 16.667 -19.843 1.00 44.11 C ATOM 0 H ALA A 100 -19.193 17.340 -21.196 1.00 62.43 H new ATOM 0 HA ALA A 100 -17.754 18.606 -19.099 1.00 45.20 H new ATOM 0 HB1 ALA A 100 -16.306 16.610 -19.288 1.00 44.11 H new ATOM 0 HB2 ALA A 100 -18.032 16.175 -19.275 1.00 44.11 H new ATOM 0 HB3 ALA A 100 -17.124 16.170 -20.806 1.00 44.11 H new ATOM 1594 N LEU A 101 -16.543 18.855 -22.118 1.00 2.25 N ATOM 1595 CA LEU A 101 -15.527 19.514 -22.929 1.00 14.45 C ATOM 1596 C LEU A 101 -15.770 21.019 -22.989 1.00 30.02 C ATOM 1597 O LEU A 101 -14.826 21.810 -23.003 1.00 12.14 O ATOM 1598 CB LEU A 101 -15.517 18.932 -24.344 1.00 1.33 C ATOM 1599 CG LEU A 101 -15.261 17.428 -24.448 1.00 41.02 C ATOM 1600 CD1 LEU A 101 -15.913 16.861 -25.699 1.00 0.14 C ATOM 1601 CD2 LEU A 101 -13.766 17.140 -24.447 1.00 20.24 C ATOM 0 H LEU A 101 -17.285 18.407 -22.655 1.00 2.25 H new ATOM 0 HA LEU A 101 -14.557 19.338 -22.464 1.00 14.45 H new ATOM 0 HB2 LEU A 101 -16.477 19.150 -24.812 1.00 1.33 H new ATOM 0 HB3 LEU A 101 -14.754 19.451 -24.924 1.00 1.33 H new ATOM 0 HG LEU A 101 -15.705 16.942 -23.579 1.00 41.02 H new ATOM 0 HD11 LEU A 101 -15.720 15.790 -25.756 1.00 0.14 H new ATOM 0 HD12 LEU A 101 -16.988 17.035 -25.659 1.00 0.14 H new ATOM 0 HD13 LEU A 101 -15.499 17.352 -26.580 1.00 0.14 H new ATOM 0 HD21 LEU A 101 -13.603 16.065 -24.522 1.00 20.24 H new ATOM 0 HD22 LEU A 101 -13.299 17.638 -25.297 1.00 20.24 H new ATOM 0 HD23 LEU A 101 -13.325 17.511 -23.522 1.00 20.24 H new ATOM 1613 N ASP A 102 -17.040 21.407 -23.022 1.00 53.41 N ATOM 1614 CA ASP A 102 -17.408 22.818 -23.076 1.00 74.31 C ATOM 1615 C ASP A 102 -17.027 23.529 -21.781 1.00 1.22 C ATOM 1616 O ASP A 102 -16.530 24.655 -21.801 1.00 72.13 O ATOM 1617 CB ASP A 102 -18.908 22.966 -23.332 1.00 23.32 C ATOM 1618 CG ASP A 102 -19.217 24.034 -24.362 1.00 54.54 C ATOM 1619 OD1 ASP A 102 -18.520 25.070 -24.370 1.00 63.14 O1- ATOM 1620 OD2 ASP A 102 -20.156 23.835 -25.161 1.00 22.04 O ATOM 0 H ASP A 102 -17.832 20.765 -23.012 1.00 53.41 H new ATOM 0 HA ASP A 102 -16.860 23.280 -23.897 1.00 74.31 H new ATOM 0 HB2 ASP A 102 -19.312 22.012 -23.670 1.00 23.32 H new ATOM 0 HB3 ASP A 102 -19.411 23.211 -22.397 1.00 23.32 H new ATOM 1625 N LYS A 103 -17.264 22.864 -20.656 1.00 42.52 N ATOM 1626 CA LYS A 103 -16.947 23.432 -19.350 1.00 65.12 C ATOM 1627 C LYS A 103 -15.460 23.757 -19.245 1.00 33.20 C ATOM 1628 O LYS A 103 -15.079 24.789 -18.693 1.00 51.02 O ATOM 1629 CB LYS A 103 -17.346 22.459 -18.239 1.00 44.43 C ATOM 1630 CG LYS A 103 -18.845 22.392 -17.999 1.00 44.53 C ATOM 1631 CD LYS A 103 -19.254 23.215 -16.789 1.00 44.35 C ATOM 1632 CE LYS A 103 -20.295 24.261 -17.152 1.00 35.53 C ATOM 1633 NZ LYS A 103 -20.128 25.511 -16.360 1.00 71.34 N1+ ATOM 0 H LYS A 103 -17.675 21.931 -20.622 1.00 42.52 H new ATOM 0 HA LYS A 103 -17.512 24.357 -19.236 1.00 65.12 H new ATOM 0 HB2 LYS A 103 -16.982 21.463 -18.492 1.00 44.43 H new ATOM 0 HB3 LYS A 103 -16.851 22.754 -17.314 1.00 44.43 H new ATOM 0 HG2 LYS A 103 -19.372 22.754 -18.882 1.00 44.53 H new ATOM 0 HG3 LYS A 103 -19.145 21.354 -17.852 1.00 44.53 H new ATOM 0 HD2 LYS A 103 -19.653 22.556 -16.018 1.00 44.35 H new ATOM 0 HD3 LYS A 103 -18.376 23.705 -16.367 1.00 44.35 H new ATOM 0 HE2 LYS A 103 -20.222 24.492 -18.215 1.00 35.53 H new ATOM 0 HE3 LYS A 103 -21.292 23.855 -16.982 1.00 35.53 H new ATOM 0 HZ1 LYS A 103 -20.857 26.198 -16.638 1.00 71.34 H new ATOM 0 HZ2 LYS A 103 -20.223 25.296 -15.347 1.00 71.34 H new ATOM 0 HZ3 LYS A 103 -19.186 25.913 -16.541 1.00 71.34 H new ATOM 1647 N ILE A 104 -14.626 22.871 -19.780 1.00 1.10 N ATOM 1648 CA ILE A 104 -13.182 23.066 -19.747 1.00 33.35 C ATOM 1649 C ILE A 104 -12.756 24.173 -20.707 1.00 64.21 C ATOM 1650 O ILE A 104 -11.922 25.012 -20.370 1.00 11.43 O ATOM 1651 CB ILE A 104 -12.431 21.771 -20.109 1.00 54.14 C ATOM 1652 CG1 ILE A 104 -12.820 20.646 -19.149 1.00 63.52 C ATOM 1653 CG2 ILE A 104 -10.928 22.005 -20.079 1.00 45.11 C ATOM 1654 CD1 ILE A 104 -12.417 19.271 -19.634 1.00 75.51 C ATOM 0 H ILE A 104 -14.926 22.012 -20.241 1.00 1.10 H new ATOM 0 HA ILE A 104 -12.924 23.352 -18.727 1.00 33.35 H new ATOM 0 HB ILE A 104 -12.713 21.475 -21.119 1.00 54.14 H new ATOM 0 HG12 ILE A 104 -12.357 20.830 -18.180 1.00 63.52 H new ATOM 0 HG13 ILE A 104 -13.899 20.667 -18.996 1.00 63.52 H new ATOM 0 HG21 ILE A 104 -10.411 21.081 -20.337 1.00 45.11 H new ATOM 0 HG22 ILE A 104 -10.666 22.781 -20.799 1.00 45.11 H new ATOM 0 HG23 ILE A 104 -10.629 22.321 -19.080 1.00 45.11 H new ATOM 0 HD11 ILE A 104 -12.725 18.523 -18.903 1.00 75.51 H new ATOM 0 HD12 ILE A 104 -12.901 19.066 -20.589 1.00 75.51 H new ATOM 0 HD13 ILE A 104 -11.335 19.232 -19.760 1.00 75.51 H new ATOM 1666 N GLU A 105 -13.336 24.166 -21.903 1.00 54.11 N ATOM 1667 CA GLU A 105 -13.016 25.171 -22.911 1.00 75.42 C ATOM 1668 C GLU A 105 -13.279 26.578 -22.380 1.00 21.43 C ATOM 1669 O GLU A 105 -12.446 27.472 -22.525 1.00 22.13 O ATOM 1670 CB GLU A 105 -13.835 24.931 -24.181 1.00 23.24 C ATOM 1671 CG GLU A 105 -13.379 25.764 -25.367 1.00 1.32 C ATOM 1672 CD GLU A 105 -13.516 25.027 -26.685 1.00 45.04 C ATOM 1673 OE1 GLU A 105 -12.613 24.231 -27.015 1.00 61.43 O1- ATOM 1674 OE2 GLU A 105 -14.527 25.246 -27.385 1.00 70.05 O ATOM 0 H GLU A 105 -14.028 23.477 -22.198 1.00 54.11 H new ATOM 0 HA GLU A 105 -11.956 25.084 -23.150 1.00 75.42 H new ATOM 0 HB2 GLU A 105 -13.777 23.875 -24.446 1.00 23.24 H new ATOM 0 HB3 GLU A 105 -14.882 25.151 -23.975 1.00 23.24 H new ATOM 0 HG2 GLU A 105 -13.963 26.683 -25.407 1.00 1.32 H new ATOM 0 HG3 GLU A 105 -12.338 26.054 -25.224 1.00 1.32 H new ATOM 1681 N GLU A 106 -14.444 26.764 -21.767 1.00 72.44 N ATOM 1682 CA GLU A 106 -14.817 28.060 -21.217 1.00 15.43 C ATOM 1683 C GLU A 106 -13.844 28.489 -20.122 1.00 61.30 C ATOM 1684 O GLU A 106 -13.426 29.644 -20.068 1.00 50.11 O ATOM 1685 CB GLU A 106 -16.241 28.011 -20.657 1.00 12.34 C ATOM 1686 CG GLU A 106 -16.753 29.359 -20.176 1.00 51.03 C ATOM 1687 CD GLU A 106 -17.950 29.233 -19.255 1.00 3.15 C ATOM 1688 OE1 GLU A 106 -18.074 28.189 -18.581 1.00 3.31 O1- ATOM 1689 OE2 GLU A 106 -18.764 30.178 -19.208 1.00 11.53 O ATOM 0 H GLU A 106 -15.144 26.034 -21.639 1.00 72.44 H new ATOM 0 HA GLU A 106 -14.775 28.792 -22.023 1.00 15.43 H new ATOM 0 HB2 GLU A 106 -16.912 27.631 -21.427 1.00 12.34 H new ATOM 0 HB3 GLU A 106 -16.272 27.303 -19.829 1.00 12.34 H new ATOM 0 HG2 GLU A 106 -15.952 29.883 -19.655 1.00 51.03 H new ATOM 0 HG3 GLU A 106 -17.025 29.969 -21.038 1.00 51.03 H new ATOM 1696 N GLU A 107 -13.488 27.547 -19.254 1.00 40.41 N ATOM 1697 CA GLU A 107 -12.565 27.827 -18.160 1.00 70.32 C ATOM 1698 C GLU A 107 -11.209 28.278 -18.695 1.00 25.30 C ATOM 1699 O GLU A 107 -10.503 29.051 -18.050 1.00 54.35 O ATOM 1700 CB GLU A 107 -12.392 26.588 -17.279 1.00 21.03 C ATOM 1701 CG GLU A 107 -12.300 26.905 -15.795 1.00 22.54 C ATOM 1702 CD GLU A 107 -12.733 25.741 -14.923 1.00 15.20 C ATOM 1703 OE1 GLU A 107 -13.803 25.159 -15.199 1.00 44.45 O1- ATOM 1704 OE2 GLU A 107 -12.001 25.415 -13.965 1.00 35.44 O ATOM 0 H GLU A 107 -13.824 26.585 -19.287 1.00 40.41 H new ATOM 0 HA GLU A 107 -12.986 28.634 -17.560 1.00 70.32 H new ATOM 0 HB2 GLU A 107 -13.231 25.913 -17.447 1.00 21.03 H new ATOM 0 HB3 GLU A 107 -11.490 26.058 -17.585 1.00 21.03 H new ATOM 0 HG2 GLU A 107 -11.274 27.177 -15.548 1.00 22.54 H new ATOM 0 HG3 GLU A 107 -12.922 27.772 -15.573 1.00 22.54 H new ATOM 1711 N GLN A 108 -10.853 27.786 -19.877 1.00 72.52 N ATOM 1712 CA GLN A 108 -9.581 28.137 -20.499 1.00 42.12 C ATOM 1713 C GLN A 108 -9.624 29.552 -21.066 1.00 62.51 C ATOM 1714 O GLN A 108 -8.683 30.327 -20.897 1.00 34.44 O ATOM 1715 CB GLN A 108 -9.239 27.140 -21.608 1.00 4.22 C ATOM 1716 CG GLN A 108 -7.823 26.593 -21.519 1.00 22.03 C ATOM 1717 CD GLN A 108 -7.178 26.422 -22.880 1.00 64.04 C ATOM 1718 OE1 GLN A 108 -7.859 26.189 -23.878 1.00 13.33 O ATOM 1719 NE2 GLN A 108 -5.855 26.535 -22.926 1.00 31.34 N ATOM 0 H GLN A 108 -11.427 27.143 -20.423 1.00 72.52 H new ATOM 0 HA GLN A 108 -8.807 28.096 -19.732 1.00 42.12 H new ATOM 0 HB2 GLN A 108 -9.944 26.309 -21.568 1.00 4.22 H new ATOM 0 HB3 GLN A 108 -9.372 27.625 -22.575 1.00 4.22 H new ATOM 0 HG2 GLN A 108 -7.215 27.266 -20.915 1.00 22.03 H new ATOM 0 HG3 GLN A 108 -7.840 25.632 -21.006 1.00 22.03 H new ATOM 0 HE21 GLN A 108 -5.330 26.729 -22.073 1.00 31.34 H new ATOM 0 HE22 GLN A 108 -5.365 26.428 -23.814 1.00 31.34 H new ATOM 1728 N ASN A 109 -10.722 29.881 -21.740 1.00 5.50 N ATOM 1729 CA ASN A 109 -10.887 31.203 -22.333 1.00 1.42 C ATOM 1730 C ASN A 109 -10.938 32.281 -21.253 1.00 34.12 C ATOM 1731 O ASN A 109 -10.292 33.322 -21.370 1.00 13.15 O ATOM 1732 CB ASN A 109 -12.162 31.251 -23.176 1.00 32.50 C ATOM 1733 CG ASN A 109 -12.291 32.544 -23.957 1.00 0.42 C ATOM 1734 OD1 ASN A 109 -11.502 32.819 -24.861 1.00 42.14 O ATOM 1735 ND2 ASN A 109 -13.289 33.348 -23.608 1.00 34.34 N ATOM 0 H ASN A 109 -11.510 29.251 -21.889 1.00 5.50 H new ATOM 0 HA ASN A 109 -10.027 31.396 -22.975 1.00 1.42 H new ATOM 0 HB2 ASN A 109 -12.168 30.409 -23.869 1.00 32.50 H new ATOM 0 HB3 ASN A 109 -13.029 31.135 -22.525 1.00 32.50 H new ATOM 0 HD21 ASN A 109 -13.425 34.233 -24.096 1.00 34.34 H new ATOM 0 HD22 ASN A 109 -13.919 33.080 -22.852 1.00 34.34 H new ATOM 1742 N LYS A 110 -11.710 32.023 -20.203 1.00 54.14 N ATOM 1743 CA LYS A 110 -11.845 32.968 -19.102 1.00 51.43 C ATOM 1744 C LYS A 110 -10.491 33.250 -18.458 1.00 42.41 C ATOM 1745 O LYS A 110 -10.274 34.321 -17.890 1.00 40.53 O ATOM 1746 CB LYS A 110 -12.817 32.426 -18.053 1.00 21.04 C ATOM 1747 CG LYS A 110 -14.276 32.527 -18.465 1.00 63.15 C ATOM 1748 CD LYS A 110 -15.172 32.826 -17.276 1.00 11.24 C ATOM 1749 CE LYS A 110 -16.549 33.296 -17.720 1.00 2.21 C ATOM 1750 NZ LYS A 110 -17.498 33.393 -16.575 1.00 74.23 N1+ ATOM 0 H LYS A 110 -12.252 31.166 -20.092 1.00 54.14 H new ATOM 0 HA LYS A 110 -12.238 33.902 -19.504 1.00 51.43 H new ATOM 0 HB2 LYS A 110 -12.576 31.382 -17.852 1.00 21.04 H new ATOM 0 HB3 LYS A 110 -12.673 32.971 -17.120 1.00 21.04 H new ATOM 0 HG2 LYS A 110 -14.390 33.311 -19.214 1.00 63.15 H new ATOM 0 HG3 LYS A 110 -14.589 31.593 -18.931 1.00 63.15 H new ATOM 0 HD2 LYS A 110 -15.272 31.932 -16.661 1.00 11.24 H new ATOM 0 HD3 LYS A 110 -14.709 33.591 -16.653 1.00 11.24 H new ATOM 0 HE2 LYS A 110 -16.462 34.269 -18.203 1.00 2.21 H new ATOM 0 HE3 LYS A 110 -16.946 32.605 -18.464 1.00 2.21 H new ATOM 0 HZ1 LYS A 110 -18.425 33.716 -16.919 1.00 74.23 H new ATOM 0 HZ2 LYS A 110 -17.601 32.459 -16.129 1.00 74.23 H new ATOM 0 HZ3 LYS A 110 -17.132 34.071 -15.877 1.00 74.23 H new ATOM 1764 N SER A 111 -9.584 32.284 -18.550 1.00 65.32 N ATOM 1765 CA SER A 111 -8.253 32.427 -17.974 1.00 53.15 C ATOM 1766 C SER A 111 -7.358 33.273 -18.876 1.00 22.14 C ATOM 1767 O SER A 111 -6.568 34.087 -18.400 1.00 52.24 O ATOM 1768 CB SER A 111 -7.618 31.052 -17.753 1.00 54.03 C ATOM 1769 OG SER A 111 -6.207 31.151 -17.663 1.00 65.50 O ATOM 0 H SER A 111 -9.747 31.393 -19.019 1.00 65.32 H new ATOM 0 HA SER A 111 -8.353 32.932 -17.013 1.00 53.15 H new ATOM 0 HB2 SER A 111 -8.014 30.608 -16.840 1.00 54.03 H new ATOM 0 HB3 SER A 111 -7.888 30.387 -18.574 1.00 54.03 H new ATOM 0 HG SER A 111 -5.825 30.260 -17.520 1.00 65.50 H new ATOM 1775 N LYS A 112 -7.490 33.073 -20.183 1.00 52.20 N ATOM 1776 CA LYS A 112 -6.696 33.817 -21.155 1.00 22.54 C ATOM 1777 C LYS A 112 -7.001 35.309 -21.078 1.00 53.15 C ATOM 1778 O LYS A 112 -6.092 36.139 -21.074 1.00 45.32 O ATOM 1779 CB LYS A 112 -6.971 33.301 -22.570 1.00 54.51 C ATOM 1780 CG LYS A 112 -5.860 33.613 -23.557 1.00 71.33 C ATOM 1781 CD LYS A 112 -5.972 32.760 -24.810 1.00 12.44 C ATOM 1782 CE LYS A 112 -6.544 33.555 -25.974 1.00 74.43 C ATOM 1783 NZ LYS A 112 -7.540 32.765 -26.749 1.00 62.11 N1+ ATOM 0 H LYS A 112 -8.139 32.402 -20.594 1.00 52.20 H new ATOM 0 HA LYS A 112 -5.643 33.667 -20.918 1.00 22.54 H new ATOM 0 HB2 LYS A 112 -7.119 32.222 -22.532 1.00 54.51 H new ATOM 0 HB3 LYS A 112 -7.901 33.738 -22.933 1.00 54.51 H new ATOM 0 HG2 LYS A 112 -5.899 34.668 -23.829 1.00 71.33 H new ATOM 0 HG3 LYS A 112 -4.893 33.441 -23.084 1.00 71.33 H new ATOM 0 HD2 LYS A 112 -4.988 32.375 -25.079 1.00 12.44 H new ATOM 0 HD3 LYS A 112 -6.608 31.898 -24.609 1.00 12.44 H new ATOM 0 HE2 LYS A 112 -7.015 34.463 -25.597 1.00 74.43 H new ATOM 0 HE3 LYS A 112 -5.734 33.866 -26.634 1.00 74.43 H new ATOM 0 HZ1 LYS A 112 -7.906 33.342 -27.533 1.00 62.11 H new ATOM 0 HZ2 LYS A 112 -7.085 31.911 -27.130 1.00 62.11 H new ATOM 0 HZ3 LYS A 112 -8.326 32.490 -26.126 1.00 62.11 H new ATOM 1797 N LYS A 113 -8.285 35.643 -21.016 1.00 12.41 N ATOM 1798 CA LYS A 113 -8.710 37.036 -20.936 1.00 2.14 C ATOM 1799 C LYS A 113 -8.175 37.697 -19.670 1.00 20.15 C ATOM 1800 O LYS A 113 -7.878 38.892 -19.658 1.00 64.22 O ATOM 1801 CB LYS A 113 -10.238 37.127 -20.965 1.00 71.15 C ATOM 1802 CG LYS A 113 -10.766 38.541 -20.800 1.00 1.30 C ATOM 1803 CD LYS A 113 -11.524 38.704 -19.493 1.00 34.02 C ATOM 1804 CE LYS A 113 -11.761 40.170 -19.165 1.00 34.14 C ATOM 1805 NZ LYS A 113 -12.899 40.736 -19.942 1.00 65.13 N1+ ATOM 0 H LYS A 113 -9.050 34.968 -21.020 1.00 12.41 H new ATOM 0 HA LYS A 113 -8.304 37.563 -21.799 1.00 2.14 H new ATOM 0 HB2 LYS A 113 -10.600 36.721 -21.910 1.00 71.15 H new ATOM 0 HB3 LYS A 113 -10.646 36.501 -20.172 1.00 71.15 H new ATOM 0 HG2 LYS A 113 -9.936 39.246 -20.830 1.00 1.30 H new ATOM 0 HG3 LYS A 113 -11.422 38.785 -21.635 1.00 1.30 H new ATOM 0 HD2 LYS A 113 -12.481 38.186 -19.559 1.00 34.02 H new ATOM 0 HD3 LYS A 113 -10.963 38.235 -18.685 1.00 34.02 H new ATOM 0 HE2 LYS A 113 -11.961 40.276 -18.099 1.00 34.14 H new ATOM 0 HE3 LYS A 113 -10.857 40.740 -19.378 1.00 34.14 H new ATOM 0 HZ1 LYS A 113 -13.028 41.737 -19.690 1.00 65.13 H new ATOM 0 HZ2 LYS A 113 -12.697 40.659 -20.959 1.00 65.13 H new ATOM 0 HZ3 LYS A 113 -13.767 40.208 -19.720 1.00 65.13 H new ATOM 1819 N LYS A 114 -8.053 36.912 -18.604 1.00 72.20 N ATOM 1820 CA LYS A 114 -7.551 37.419 -17.333 1.00 73.52 C ATOM 1821 C LYS A 114 -6.053 37.696 -17.411 1.00 13.14 C ATOM 1822 O LYS A 114 -5.530 38.540 -16.684 1.00 33.25 O ATOM 1823 CB LYS A 114 -7.836 36.417 -16.212 1.00 23.23 C ATOM 1824 CG LYS A 114 -8.314 37.065 -14.924 1.00 52.42 C ATOM 1825 CD LYS A 114 -7.153 37.625 -14.119 1.00 73.20 C ATOM 1826 CE LYS A 114 -7.392 39.077 -13.733 1.00 73.11 C ATOM 1827 NZ LYS A 114 -6.342 39.585 -12.807 1.00 45.01 N1+ ATOM 0 H LYS A 114 -8.295 35.921 -18.596 1.00 72.20 H new ATOM 0 HA LYS A 114 -8.066 38.355 -17.116 1.00 73.52 H new ATOM 0 HB2 LYS A 114 -8.590 35.707 -16.553 1.00 23.23 H new ATOM 0 HB3 LYS A 114 -6.930 35.846 -16.007 1.00 23.23 H new ATOM 0 HG2 LYS A 114 -9.016 37.865 -15.157 1.00 52.42 H new ATOM 0 HG3 LYS A 114 -8.854 36.332 -14.325 1.00 52.42 H new ATOM 0 HD2 LYS A 114 -7.011 37.027 -13.219 1.00 73.20 H new ATOM 0 HD3 LYS A 114 -6.235 37.548 -14.701 1.00 73.20 H new ATOM 0 HE2 LYS A 114 -7.412 39.693 -14.632 1.00 73.11 H new ATOM 0 HE3 LYS A 114 -8.370 39.171 -13.260 1.00 73.11 H new ATOM 0 HZ1 LYS A 114 -6.541 40.577 -12.568 1.00 45.01 H new ATOM 0 HZ2 LYS A 114 -6.339 39.013 -11.938 1.00 45.01 H new ATOM 0 HZ3 LYS A 114 -5.412 39.519 -13.267 1.00 45.01 H new ATOM 1841 N ALA A 115 -5.370 36.983 -18.300 1.00 62.25 N ATOM 1842 CA ALA A 115 -3.932 37.155 -18.475 1.00 11.45 C ATOM 1843 C ALA A 115 -3.628 38.011 -19.700 1.00 0.43 C ATOM 1844 O ALA A 115 -2.599 37.834 -20.352 1.00 4.53 O ATOM 1845 CB ALA A 115 -3.249 35.801 -18.593 1.00 44.00 C ATOM 0 H ALA A 115 -5.788 36.281 -18.910 1.00 62.25 H new ATOM 0 HA ALA A 115 -3.543 37.671 -17.597 1.00 11.45 H new ATOM 0 HB1 ALA A 115 -2.176 35.945 -18.723 1.00 44.00 H new ATOM 0 HB2 ALA A 115 -3.430 35.222 -17.688 1.00 44.00 H new ATOM 0 HB3 ALA A 115 -3.650 35.265 -19.453 1.00 44.00 H new ATOM 1851 N GLN A 116 -4.530 38.939 -20.007 1.00 44.43 N ATOM 1852 CA GLN A 116 -4.357 39.821 -21.154 1.00 42.21 C ATOM 1853 C GLN A 116 -3.753 41.156 -20.729 1.00 25.42 C ATOM 1854 O GLN A 116 -3.957 42.176 -21.385 1.00 41.11 O ATOM 1855 CB GLN A 116 -5.698 40.054 -21.852 1.00 5.20 C ATOM 1856 CG GLN A 116 -5.596 40.093 -23.368 1.00 33.13 C ATOM 1857 CD GLN A 116 -6.154 38.845 -24.023 1.00 43.41 C ATOM 1858 OE1 GLN A 116 -6.105 37.755 -23.451 1.00 30.15 O ATOM 1859 NE2 GLN A 116 -6.688 38.998 -25.229 1.00 65.22 N ATOM 0 H GLN A 116 -5.387 39.099 -19.477 1.00 44.43 H new ATOM 0 HA GLN A 116 -3.672 39.338 -21.851 1.00 42.21 H new ATOM 0 HB2 GLN A 116 -6.391 39.264 -21.563 1.00 5.20 H new ATOM 0 HB3 GLN A 116 -6.123 40.994 -21.500 1.00 5.20 H new ATOM 0 HG2 GLN A 116 -6.132 40.965 -23.742 1.00 33.13 H new ATOM 0 HG3 GLN A 116 -4.551 40.213 -23.655 1.00 33.13 H new ATOM 0 HE21 GLN A 116 -6.707 39.920 -25.665 1.00 65.22 H new ATOM 0 HE22 GLN A 116 -7.079 38.194 -25.719 1.00 65.22 H new ATOM 1868 N GLN A 117 -3.010 41.139 -19.627 1.00 2.51 N ATOM 1869 CA GLN A 117 -2.378 42.348 -19.113 1.00 72.01 C ATOM 1870 C GLN A 117 -1.005 42.555 -19.744 1.00 43.24 C ATOM 1871 O GLN A 117 -0.578 43.687 -19.967 1.00 61.15 O ATOM 1872 CB GLN A 117 -2.248 42.275 -17.591 1.00 74.11 C ATOM 1873 CG GLN A 117 -1.584 43.497 -16.977 1.00 1.02 C ATOM 1874 CD GLN A 117 -2.355 44.776 -17.245 1.00 21.53 C ATOM 1875 OE1 GLN A 117 -3.478 44.947 -16.770 1.00 50.21 O ATOM 1876 NE2 GLN A 117 -1.754 45.680 -18.008 1.00 53.14 N ATOM 0 H GLN A 117 -2.831 40.301 -19.073 1.00 2.51 H new ATOM 0 HA GLN A 117 -3.010 43.197 -19.375 1.00 72.01 H new ATOM 0 HB2 GLN A 117 -3.240 42.154 -17.156 1.00 74.11 H new ATOM 0 HB3 GLN A 117 -1.673 41.388 -17.326 1.00 74.11 H new ATOM 0 HG2 GLN A 117 -1.490 43.353 -15.901 1.00 1.02 H new ATOM 0 HG3 GLN A 117 -0.574 43.596 -17.375 1.00 1.02 H new ATOM 0 HE21 GLN A 117 -0.822 45.495 -18.380 1.00 53.14 H new ATOM 0 HE22 GLN A 117 -2.224 46.560 -18.222 1.00 53.14 H new ATOM 1885 N ALA A 118 -0.319 41.453 -20.029 1.00 24.11 N ATOM 1886 CA ALA A 118 1.005 41.513 -20.635 1.00 24.31 C ATOM 1887 C ALA A 118 0.913 41.828 -22.124 1.00 61.41 C ATOM 1888 O ALA A 118 1.716 42.593 -22.658 1.00 60.03 O ATOM 1889 CB ALA A 118 1.746 40.202 -20.416 1.00 51.43 C ATOM 0 H ALA A 118 -0.659 40.508 -19.850 1.00 24.11 H new ATOM 0 HA ALA A 118 1.562 42.317 -20.154 1.00 24.31 H new ATOM 0 HB1 ALA A 118 2.733 40.261 -20.874 1.00 51.43 H new ATOM 0 HB2 ALA A 118 1.852 40.018 -19.347 1.00 51.43 H new ATOM 0 HB3 ALA A 118 1.184 39.386 -20.870 1.00 51.43 H new ATOM 1895 N ALA A 119 -0.070 41.233 -22.791 1.00 24.40 N ATOM 1896 CA ALA A 119 -0.268 41.450 -24.219 1.00 50.32 C ATOM 1897 C ALA A 119 -1.271 42.571 -24.469 1.00 50.11 C ATOM 1898 O ALA A 119 -2.445 42.318 -24.738 1.00 53.21 O ATOM 1899 CB ALA A 119 -0.731 40.166 -24.890 1.00 72.25 C ATOM 0 H ALA A 119 -0.743 40.596 -22.365 1.00 24.40 H new ATOM 0 HA ALA A 119 0.687 41.748 -24.652 1.00 50.32 H new ATOM 0 HB1 ALA A 119 -0.875 40.344 -25.956 1.00 72.25 H new ATOM 0 HB2 ALA A 119 0.022 39.390 -24.750 1.00 72.25 H new ATOM 0 HB3 ALA A 119 -1.672 39.843 -24.446 1.00 72.25 H new ATOM 1905 N ALA A 120 -0.802 43.811 -24.378 1.00 42.54 N ATOM 1906 CA ALA A 120 -1.658 44.971 -24.595 1.00 73.54 C ATOM 1907 C ALA A 120 -0.844 46.260 -24.602 1.00 20.12 C ATOM 1908 O ALA A 120 -0.954 47.070 -25.522 1.00 13.02 O ATOM 1909 CB ALA A 120 -2.741 45.034 -23.530 1.00 3.34 C ATOM 0 H ALA A 120 0.167 44.038 -24.155 1.00 42.54 H new ATOM 0 HA ALA A 120 -2.130 44.865 -25.572 1.00 73.54 H new ATOM 0 HB1 ALA A 120 -3.373 45.905 -23.704 1.00 3.34 H new ATOM 0 HB2 ALA A 120 -3.349 44.130 -23.575 1.00 3.34 H new ATOM 0 HB3 ALA A 120 -2.279 45.112 -22.546 1.00 3.34 H new ATOM 1915 N ASP A 121 -0.028 46.445 -23.570 1.00 1.22 N ATOM 1916 CA ASP A 121 0.805 47.636 -23.458 1.00 2.41 C ATOM 1917 C ASP A 121 1.659 47.823 -24.707 1.00 24.23 C ATOM 1918 O ASP A 121 2.021 48.945 -25.064 1.00 70.35 O ATOM 1919 CB ASP A 121 1.701 47.543 -22.221 1.00 34.33 C ATOM 1920 CG ASP A 121 1.576 48.758 -21.322 1.00 23.23 C ATOM 1921 OD1 ASP A 121 0.573 48.848 -20.583 1.00 40.43 O ATOM 1922 OD2 ASP A 121 2.480 49.618 -21.358 1.00 44.24 O1- ATOM 0 H ASP A 121 0.074 45.785 -22.799 1.00 1.22 H new ATOM 0 HA ASP A 121 0.148 48.500 -23.358 1.00 2.41 H new ATOM 0 HB2 ASP A 121 1.442 46.648 -21.655 1.00 34.33 H new ATOM 0 HB3 ASP A 121 2.739 47.433 -22.535 1.00 34.33 H new ATOM 1927 N THR A 122 1.979 46.716 -25.370 1.00 2.30 N ATOM 1928 CA THR A 122 2.793 46.756 -26.578 1.00 10.15 C ATOM 1929 C THR A 122 1.952 47.130 -27.794 1.00 64.55 C ATOM 1930 O THR A 122 1.102 46.357 -28.234 1.00 74.43 O ATOM 1931 CB THR A 122 3.480 45.402 -26.839 1.00 3.32 C ATOM 1932 OG1 THR A 122 2.502 44.356 -26.872 1.00 71.43 O ATOM 1933 CG2 THR A 122 4.512 45.104 -25.763 1.00 73.23 C ATOM 0 H THR A 122 1.686 45.780 -25.090 1.00 2.30 H new ATOM 0 HA THR A 122 3.557 47.517 -26.419 1.00 10.15 H new ATOM 0 HB THR A 122 3.987 45.455 -27.802 1.00 3.32 H new ATOM 0 HG1 THR A 122 1.683 44.687 -27.296 1.00 71.43 H new ATOM 0 HG21 THR A 122 4.984 44.143 -25.968 1.00 73.23 H new ATOM 0 HG22 THR A 122 5.270 45.887 -25.759 1.00 73.23 H new ATOM 0 HG23 THR A 122 4.023 45.068 -24.790 1.00 73.23 H new ATOM 1941 N GLY A 123 2.196 48.320 -28.334 1.00 52.22 N ATOM 1942 CA GLY A 123 1.454 48.774 -29.495 1.00 54.21 C ATOM 1943 C GLY A 123 1.500 47.780 -30.638 1.00 73.42 C ATOM 1944 O GLY A 123 2.395 46.938 -30.702 1.00 73.42 O ATOM 0 H GLY A 123 2.895 48.978 -27.988 1.00 52.22 H new ATOM 0 HA2 GLY A 123 0.416 48.950 -29.213 1.00 54.21 H new ATOM 0 HA3 GLY A 123 1.860 49.728 -29.831 1.00 54.21 H new ATOM 1948 N ASN A 124 0.531 47.875 -31.543 1.00 63.10 N ATOM 1949 CA ASN A 124 0.463 46.975 -32.688 1.00 2.44 C ATOM 1950 C ASN A 124 0.509 47.756 -33.997 1.00 54.21 C ATOM 1951 O ASN A 124 0.278 48.964 -34.020 1.00 24.23 O ATOM 1952 CB ASN A 124 -0.814 46.135 -32.627 1.00 2.03 C ATOM 1953 CG ASN A 124 -0.550 44.713 -32.169 1.00 32.01 C ATOM 1954 OD1 ASN A 124 -0.514 44.433 -30.971 1.00 22.45 O ATOM 1955 ND2 ASN A 124 -0.364 43.809 -33.124 1.00 42.53 N ATOM 0 H ASN A 124 -0.218 48.566 -31.505 1.00 63.10 H new ATOM 0 HA ASN A 124 1.328 46.313 -32.650 1.00 2.44 H new ATOM 0 HB2 ASN A 124 -1.524 46.607 -31.947 1.00 2.03 H new ATOM 0 HB3 ASN A 124 -1.280 46.116 -33.612 1.00 2.03 H new ATOM 0 HD21 ASN A 124 -0.182 42.836 -32.877 1.00 42.53 H new ATOM 0 HD22 ASN A 124 -0.403 44.088 -34.104 1.00 42.53 H new ATOM 1962 N ASN A 125 0.810 47.057 -35.087 1.00 3.54 N ATOM 1963 CA ASN A 125 0.887 47.685 -36.401 1.00 61.53 C ATOM 1964 C ASN A 125 -0.454 48.300 -36.789 1.00 71.21 C ATOM 1965 O ASN A 125 -1.483 48.009 -36.179 1.00 72.53 O ATOM 1966 CB ASN A 125 1.315 46.660 -37.455 1.00 2.54 C ATOM 1967 CG ASN A 125 2.805 46.701 -37.729 1.00 13.14 C ATOM 1968 OD1 ASN A 125 3.410 47.773 -37.774 1.00 63.31 O ATOM 1969 ND2 ASN A 125 3.405 45.530 -37.914 1.00 13.44 N ATOM 0 H ASN A 125 1.004 46.056 -35.086 1.00 3.54 H new ATOM 0 HA ASN A 125 1.631 48.480 -36.353 1.00 61.53 H new ATOM 0 HB2 ASN A 125 1.037 45.661 -37.120 1.00 2.54 H new ATOM 0 HB3 ASN A 125 0.773 46.848 -38.382 1.00 2.54 H new ATOM 0 HD21 ASN A 125 4.407 45.494 -38.102 1.00 13.44 H new ATOM 0 HD22 ASN A 125 2.864 44.667 -37.868 1.00 13.44 H new ATOM 1976 N SER A 126 -0.434 49.153 -37.808 1.00 34.12 N ATOM 1977 CA SER A 126 -1.648 49.813 -38.277 1.00 63.10 C ATOM 1978 C SER A 126 -2.641 48.795 -38.828 1.00 3.13 C ATOM 1979 O SER A 126 -2.267 47.884 -39.564 1.00 34.52 O ATOM 1980 CB SER A 126 -1.309 50.847 -39.352 1.00 61.33 C ATOM 1981 OG SER A 126 -0.098 50.519 -40.011 1.00 41.24 O ATOM 0 H SER A 126 0.409 49.404 -38.325 1.00 34.12 H new ATOM 0 HA SER A 126 -2.108 50.320 -37.429 1.00 63.10 H new ATOM 0 HB2 SER A 126 -2.120 50.900 -40.079 1.00 61.33 H new ATOM 0 HB3 SER A 126 -1.224 51.834 -38.898 1.00 61.33 H new ATOM 0 HG SER A 126 0.096 51.194 -40.694 1.00 41.24 H new ATOM 1987 N GLN A 127 -3.909 48.958 -38.463 1.00 33.25 N ATOM 1988 CA GLN A 127 -4.958 48.054 -38.921 1.00 63.22 C ATOM 1989 C GLN A 127 -6.337 48.668 -38.710 1.00 42.40 C ATOM 1990 O GLN A 127 -6.660 49.134 -37.617 1.00 51.20 O ATOM 1991 CB GLN A 127 -4.863 46.716 -38.184 1.00 1.23 C ATOM 1992 CG GLN A 127 -5.474 45.555 -38.952 1.00 42.13 C ATOM 1993 CD GLN A 127 -6.700 44.983 -38.267 1.00 71.44 C ATOM 1994 OE1 GLN A 127 -6.674 44.679 -37.075 1.00 44.23 O ATOM 1995 NE2 GLN A 127 -7.783 44.834 -39.020 1.00 71.41 N ATOM 0 H GLN A 127 -4.235 49.707 -37.852 1.00 33.25 H new ATOM 0 HA GLN A 127 -4.817 47.884 -39.988 1.00 63.22 H new ATOM 0 HB2 GLN A 127 -3.815 46.496 -37.981 1.00 1.23 H new ATOM 0 HB3 GLN A 127 -5.362 46.806 -37.219 1.00 1.23 H new ATOM 0 HG2 GLN A 127 -5.745 45.889 -39.954 1.00 42.13 H new ATOM 0 HG3 GLN A 127 -4.728 44.769 -39.069 1.00 42.13 H new ATOM 0 HE21 GLN A 127 -7.760 45.099 -40.005 1.00 71.41 H new ATOM 0 HE22 GLN A 127 -8.638 44.454 -38.614 1.00 71.41 H new ATOM 2004 N VAL A 128 -7.148 48.665 -39.763 1.00 31.12 N ATOM 2005 CA VAL A 128 -8.494 49.222 -39.693 1.00 51.02 C ATOM 2006 C VAL A 128 -9.504 48.164 -39.262 1.00 31.20 C ATOM 2007 O VAL A 128 -9.389 46.995 -39.630 1.00 35.34 O ATOM 2008 CB VAL A 128 -8.930 49.810 -41.048 1.00 21.10 C ATOM 2009 CG1 VAL A 128 -7.983 50.921 -41.477 1.00 23.50 C ATOM 2010 CG2 VAL A 128 -8.997 48.718 -42.105 1.00 34.15 C ATOM 0 H VAL A 128 -6.897 48.283 -40.675 1.00 31.12 H new ATOM 0 HA VAL A 128 -8.468 50.020 -38.951 1.00 51.02 H new ATOM 0 HB VAL A 128 -9.926 50.237 -40.936 1.00 21.10 H new ATOM 0 HG11 VAL A 128 -8.307 51.325 -42.436 1.00 23.50 H new ATOM 0 HG12 VAL A 128 -7.990 51.714 -40.729 1.00 23.50 H new ATOM 0 HG13 VAL A 128 -6.973 50.522 -41.573 1.00 23.50 H new ATOM 0 HG21 VAL A 128 -9.307 49.151 -43.056 1.00 34.15 H new ATOM 0 HG22 VAL A 128 -8.014 48.260 -42.218 1.00 34.15 H new ATOM 0 HG23 VAL A 128 -9.718 47.960 -41.800 1.00 34.15 H new ATOM 2020 N SER A 129 -10.494 48.583 -38.481 1.00 2.31 N ATOM 2021 CA SER A 129 -11.524 47.671 -37.996 1.00 75.31 C ATOM 2022 C SER A 129 -12.400 47.182 -39.146 1.00 24.02 C ATOM 2023 O SER A 129 -12.655 47.915 -40.100 1.00 23.23 O ATOM 2024 CB SER A 129 -12.388 48.359 -36.938 1.00 22.44 C ATOM 2025 OG SER A 129 -13.751 47.997 -37.078 1.00 24.44 O ATOM 0 H SER A 129 -10.605 49.548 -38.170 1.00 2.31 H new ATOM 0 HA SER A 129 -11.030 46.810 -37.546 1.00 75.31 H new ATOM 0 HB2 SER A 129 -12.036 48.086 -35.943 1.00 22.44 H new ATOM 0 HB3 SER A 129 -12.285 49.440 -37.027 1.00 22.44 H new ATOM 0 HG SER A 129 -14.282 48.449 -36.389 1.00 24.44 H new ATOM 2031 N GLN A 130 -12.857 45.937 -39.045 1.00 54.33 N ATOM 2032 CA GLN A 130 -13.703 45.349 -40.075 1.00 34.45 C ATOM 2033 C GLN A 130 -15.128 45.887 -39.983 1.00 52.44 C ATOM 2034 O GLN A 130 -15.455 46.649 -39.074 1.00 21.03 O ATOM 2035 CB GLN A 130 -13.713 43.825 -39.949 1.00 22.33 C ATOM 2036 CG GLN A 130 -13.097 43.111 -41.142 1.00 54.31 C ATOM 2037 CD GLN A 130 -11.936 42.219 -40.751 1.00 75.13 C ATOM 2038 OE1 GLN A 130 -12.100 41.013 -40.563 1.00 40.23 O ATOM 2039 NE2 GLN A 130 -10.751 42.808 -40.629 1.00 21.32 N ATOM 0 H GLN A 130 -12.655 45.317 -38.260 1.00 54.33 H new ATOM 0 HA GLN A 130 -13.292 45.624 -41.046 1.00 34.45 H new ATOM 0 HB2 GLN A 130 -13.172 43.540 -39.047 1.00 22.33 H new ATOM 0 HB3 GLN A 130 -14.741 43.486 -39.825 1.00 22.33 H new ATOM 0 HG2 GLN A 130 -13.861 42.511 -41.636 1.00 54.31 H new ATOM 0 HG3 GLN A 130 -12.755 43.850 -41.866 1.00 54.31 H new ATOM 0 HE21 GLN A 130 -10.660 43.810 -40.794 1.00 21.32 H new ATOM 0 HE22 GLN A 130 -9.932 42.258 -40.370 1.00 21.32 H new ATOM 2048 N ASN A 131 -15.968 45.488 -40.931 1.00 0.24 N ATOM 2049 CA ASN A 131 -17.358 45.931 -40.956 1.00 73.31 C ATOM 2050 C ASN A 131 -18.283 44.854 -40.401 1.00 23.05 C ATOM 2051 O ASN A 131 -18.781 44.005 -41.143 1.00 44.33 O ATOM 2052 CB ASN A 131 -17.774 46.290 -42.385 1.00 0.40 C ATOM 2053 CG ASN A 131 -17.397 47.712 -42.757 1.00 22.50 C ATOM 2054 OD1 ASN A 131 -17.033 48.514 -41.897 1.00 35.02 O ATOM 2055 ND2 ASN A 131 -17.484 48.028 -44.044 1.00 3.44 N ATOM 0 H ASN A 131 -15.712 44.859 -41.692 1.00 0.24 H new ATOM 0 HA ASN A 131 -17.443 46.816 -40.326 1.00 73.31 H new ATOM 0 HB2 ASN A 131 -17.303 45.598 -43.083 1.00 0.40 H new ATOM 0 HB3 ASN A 131 -18.852 46.163 -42.490 1.00 0.40 H new ATOM 0 HD21 ASN A 131 -17.244 48.969 -44.355 1.00 3.44 H new ATOM 0 HD22 ASN A 131 -17.791 47.330 -44.721 1.00 3.44 H new ATOM 2062 N TYR A 132 -18.511 44.893 -39.092 1.00 34.30 N ATOM 2063 CA TYR A 132 -19.375 43.920 -38.438 1.00 44.33 C ATOM 2064 C TYR A 132 -18.930 42.495 -38.755 1.00 2.32 C ATOM 2065 O TYR A 132 -17.777 42.293 -39.131 1.00 73.32 O ATOM 2066 CB TYR A 132 -20.828 44.121 -38.872 1.00 42.13 C ATOM 2067 CG TYR A 132 -21.836 43.578 -37.885 1.00 31.13 C ATOM 2068 CD1 TYR A 132 -22.306 44.364 -36.840 1.00 24.33 C ATOM 2069 CD2 TYR A 132 -22.318 42.280 -37.997 1.00 22.12 C ATOM 2070 CE1 TYR A 132 -23.227 43.872 -35.935 1.00 55.20 C ATOM 2071 CE2 TYR A 132 -23.241 41.780 -37.097 1.00 55.11 C ATOM 2072 CZ TYR A 132 -23.691 42.581 -36.068 1.00 25.21 C ATOM 2073 OH TYR A 132 -24.609 42.086 -35.170 1.00 60.04 O ATOM 0 H TYR A 132 -18.109 45.589 -38.464 1.00 34.30 H new ATOM 0 HA TYR A 132 -19.301 44.074 -37.361 1.00 44.33 H new ATOM 0 HB2 TYR A 132 -21.011 45.186 -39.017 1.00 42.13 H new ATOM 0 HB3 TYR A 132 -20.980 43.637 -39.837 1.00 42.13 H new ATOM 0 HD1 TYR A 132 -21.945 45.376 -36.733 1.00 24.33 H new ATOM 0 HD2 TYR A 132 -21.966 41.651 -38.801 1.00 22.12 H new ATOM 0 HE1 TYR A 132 -23.581 44.496 -35.128 1.00 55.20 H new ATOM 0 HE2 TYR A 132 -23.607 40.769 -37.199 1.00 55.11 H new ATOM 0 HH TYR A 132 -24.833 41.162 -35.407 1.00 60.04 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 7.790 10.010 -29.306 1.00 52.35 O HETATM 2085 O2 PC8 A 300 8.032 8.434 -27.385 1.00 45.41 O HETATM 2086 P1 PC8 A 300 7.902 9.942 -27.847 1.00 12.35 P HETATM 2087 O3 PC8 A 300 9.167 10.746 -27.290 1.00 0.03 O HETATM 2088 C1 PC8 A 300 10.379 10.731 -28.070 1.00 60.32 C HETATM 2089 C2 PC8 A 300 11.584 10.056 -27.356 1.00 34.03 C HETATM 2090 N1 PC8 A 300 12.631 10.956 -26.709 1.00 1.20 N HETATM 2091 C3 PC8 A 300 13.142 12.015 -27.659 1.00 54.31 C HETATM 2092 C4 PC8 A 300 11.962 11.659 -25.550 1.00 45.11 C HETATM 2093 C5 PC8 A 300 13.805 10.161 -26.184 1.00 45.45 C HETATM 2094 O4 PC8 A 300 6.587 10.544 -27.153 1.00 43.42 O HETATM 2095 C6 PC8 A 300 6.539 11.977 -26.944 1.00 2.22 C HETATM 2096 C7 PC8 A 300 5.110 12.534 -26.670 1.00 11.25 C HETATM 2097 C8 PC8 A 300 5.057 14.067 -26.475 1.00 55.45 C HETATM 2098 O5 PC8 A 300 6.256 14.536 -25.848 1.00 45.12 O HETATM 2099 C9 PC8 A 300 7.111 15.480 -26.333 1.00 30.21 C HETATM 2100 O6 PC8 A 300 8.142 15.147 -26.965 1.00 44.14 O HETATM 2101 C10 PC8 A 300 6.781 16.894 -26.059 1.00 13.15 C HETATM 2102 C11 PC8 A 300 5.391 17.363 -26.570 1.00 62.11 C HETATM 2103 C12 PC8 A 300 5.125 18.861 -26.266 1.00 54.02 C HETATM 2104 C13 PC8 A 300 5.382 19.775 -27.494 1.00 43.01 C HETATM 2105 C14 PC8 A 300 4.080 20.098 -28.274 1.00 54.31 C HETATM 2106 C15 PC8 A 300 3.923 19.238 -29.556 1.00 43.30 C HETATM 2107 C16 PC8 A 300 4.154 20.049 -30.850 1.00 1.52 C HETATM 2108 O7 PC8 A 300 4.163 12.204 -27.703 1.00 45.40 O HETATM 2109 C17 PC8 A 300 2.995 11.502 -27.586 1.00 73.04 C HETATM 2110 O8 PC8 A 300 2.910 10.528 -26.798 1.00 41.22 O HETATM 2111 C18 PC8 A 300 1.837 11.947 -28.393 1.00 63.51 C HETATM 2112 C19 PC8 A 300 0.664 12.571 -27.587 1.00 31.33 C HETATM 2113 C20 PC8 A 300 -0.215 11.503 -26.878 1.00 14.51 C HETATM 2114 C21 PC8 A 300 -1.205 12.132 -25.862 1.00 12.44 C HETATM 2115 C22 PC8 A 300 -0.780 11.909 -24.386 1.00 63.11 C HETATM 2116 C23 PC8 A 300 -1.915 12.250 -23.383 1.00 62.12 C HETATM 2117 C24 PC8 A 300 -3.024 11.175 -23.341 1.00 41.42 C HETATM 0 H9 PC8 A 300 11.599 10.919 -24.836 1.00 45.11 H new HETATM 0 H8 PC8 A 300 12.681 12.315 -25.059 1.00 45.11 H new HETATM 0 H7 PC8 A 300 13.597 11.537 -28.526 1.00 54.31 H new HETATM 0 H6 PC8 A 300 12.312 12.642 -27.985 1.00 54.31 H new HETATM 0 H5 PC8 A 300 13.885 12.631 -27.152 1.00 54.31 H new HETATM 0 H48 PC8 A 300 -3.473 11.077 -24.329 1.00 41.42 H new HETATM 0 H47 PC8 A 300 -2.593 10.219 -23.042 1.00 41.42 H new HETATM 0 H46 PC8 A 300 -3.789 11.469 -22.622 1.00 41.42 H new HETATM 0 H45 PC8 A 300 -1.489 12.365 -22.386 1.00 62.12 H new HETATM 0 H44 PC8 A 300 -2.356 13.209 -23.654 1.00 62.12 H new HETATM 0 H43 PC8 A 300 -0.480 10.870 -24.251 1.00 63.11 H new HETATM 0 H42 PC8 A 300 0.092 12.524 -24.165 1.00 63.11 H new HETATM 0 H41 PC8 A 300 -1.284 13.202 -26.054 1.00 12.44 H new HETATM 0 H40 PC8 A 300 -2.196 11.706 -26.017 1.00 12.44 H new HETATM 0 H4 PC8 A 300 11.187 9.397 -26.584 1.00 34.03 H new HETATM 0 H39 PC8 A 300 -0.774 10.942 -27.626 1.00 14.51 H new HETATM 0 H38 PC8 A 300 0.429 10.791 -26.361 1.00 14.51 H new HETATM 0 H37 PC8 A 300 1.066 13.257 -26.842 1.00 31.33 H new HETATM 0 H36 PC8 A 300 0.040 13.160 -28.259 1.00 31.33 H new HETATM 0 H35 PC8 A 300 2.184 12.679 -29.123 1.00 63.51 H new HETATM 0 H34 PC8 A 300 1.457 11.093 -28.954 1.00 63.51 H new HETATM 0 H33 PC8 A 300 3.431 20.863 -30.904 1.00 1.52 H new HETATM 0 H32 PC8 A 300 5.163 20.461 -30.846 1.00 1.52 H new HETATM 0 H31 PC8 A 300 4.031 19.397 -31.715 1.00 1.52 H new HETATM 0 H30 PC8 A 300 4.629 18.409 -29.521 1.00 43.30 H new HETATM 0 H3 PC8 A 300 12.092 9.424 -28.084 1.00 34.03 H new HETATM 0 H29 PC8 A 300 2.923 18.804 -29.577 1.00 43.30 H new HETATM 0 H28 PC8 A 300 3.221 19.934 -27.623 1.00 54.31 H new HETATM 0 H27 PC8 A 300 4.076 21.153 -28.546 1.00 54.31 H new HETATM 0 H26 PC8 A 300 5.843 20.705 -27.161 1.00 43.01 H new HETATM 0 H25 PC8 A 300 6.092 19.289 -28.163 1.00 43.01 H new HETATM 0 H24 PC8 A 300 4.093 18.983 -25.937 1.00 54.02 H new HETATM 0 H23 PC8 A 300 5.763 19.179 -25.441 1.00 54.02 H new HETATM 0 H22 PC8 A 300 5.327 17.196 -27.645 1.00 62.11 H new HETATM 0 H21 PC8 A 300 4.613 16.757 -26.106 1.00 62.11 H new HETATM 0 H20 PC8 A 300 6.828 17.059 -24.983 1.00 13.15 H new HETATM 0 H2 PC8 A 300 10.188 10.210 -29.008 1.00 60.32 H new HETATM 0 H19 PC8 A 300 7.547 17.523 -26.512 1.00 13.15 H new HETATM 0 H18 PC8 A 300 4.929 14.558 -27.440 1.00 55.45 H new HETATM 0 H17 PC8 A 300 4.193 14.332 -25.865 1.00 55.45 H new HETATM 0 H16 PC8 A 300 4.836 12.042 -25.737 1.00 11.25 H new HETATM 0 H15 PC8 A 300 7.184 12.232 -26.103 1.00 2.22 H new HETATM 0 H14 PC8 A 300 6.949 12.475 -27.823 1.00 2.22 H new HETATM 0 H13 PC8 A 300 13.457 9.448 -25.436 1.00 45.45 H new HETATM 0 H12 PC8 A 300 14.277 9.623 -27.006 1.00 45.45 H new HETATM 0 H11 PC8 A 300 14.529 10.838 -25.731 1.00 45.45 H new HETATM 0 H10 PC8 A 300 11.123 12.250 -25.918 1.00 45.11 H new HETATM 0 H1 PC8 A 300 10.648 11.756 -28.323 1.00 60.32 H new