USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 HIS : no HE2:sc= 1.16 K(o=2.1,f=-6.7!) USER MOD Set 1.2: A 93 SER OG : rot 153:sc= 0.992 USER MOD Set 2.1: A 49 HIS : no HD1:sc= -3.92! C(o=-2.4!,f=-5.1!) USER MOD Set 2.2: A 70 THR OG1 : rot 95:sc= 1.5 USER MOD Set 3.1: A 46 SER OG : rot -150:sc= 0.344 USER MOD Set 3.2: A 65 ASN : amide:sc= 0.911 K(o=1.3,f=-4.8!) USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 28 ASN : amide:sc= 1.42 K(o=1.4,f=-3.3!) USER MOD Set 5.1: A 10 THR OG1 : rot 153:sc= 1.16 USER MOD Set 5.2: A 100 HIS : no HE2:sc= 0.735 K(o=1.9,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.31) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.082 K(o=-0.082,f=-0.73) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 37 GLN : amide:sc= -0.441! C(o=-0.44!,f=-3.6!) USER MOD Single : A 43 THR OG1 : rot 134:sc= 0.581 USER MOD Single : A 57 GLN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.76! C(o=-1.8!,f=-6!) USER MOD Single : A 71 THR OG1 : rot -110:sc= 0.00283 USER MOD Single : A 73 ASN : amide:sc= 1.14 K(o=1.1,f=-0.66) USER MOD Single : A 74 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1.2) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.491 -10.829 -10.029 1.00 11.00 N ATOM 2 CA GLY A 1 -0.901 -12.031 -10.742 1.00 43.05 C ATOM 3 C GLY A 1 -2.384 -12.032 -10.957 1.00 45.13 C ATOM 4 O GLY A 1 -2.861 -11.785 -12.064 1.00 40.15 O ATOM 0 H1 GLY A 1 0.539 -10.843 -9.888 1.00 11.00 H new ATOM 0 H2 GLY A 1 -0.753 -9.990 -10.584 1.00 11.00 H new ATOM 0 H3 GLY A 1 -0.967 -10.794 -9.105 1.00 11.00 H new ATOM 0 HA2 GLY A 1 -0.388 -12.084 -11.702 1.00 43.05 H new ATOM 0 HA3 GLY A 1 -0.609 -12.915 -10.175 1.00 43.05 H new ATOM 10 N HIS A 2 -3.118 -12.292 -9.904 1.00 3.14 N ATOM 11 CA HIS A 2 -4.557 -12.262 -9.948 1.00 1.15 C ATOM 12 C HIS A 2 -5.050 -11.211 -8.998 1.00 71.45 C ATOM 13 O HIS A 2 -4.426 -10.974 -7.956 1.00 54.02 O ATOM 14 CB HIS A 2 -5.177 -13.634 -9.614 1.00 23.34 C ATOM 15 CG HIS A 2 -5.056 -14.653 -10.714 1.00 71.32 C ATOM 16 ND1 HIS A 2 -6.125 -15.348 -11.234 1.00 5.52 N ATOM 17 CD2 HIS A 2 -3.967 -15.088 -11.396 1.00 61.44 C ATOM 18 CE1 HIS A 2 -5.670 -16.158 -12.189 1.00 42.54 C ATOM 19 NE2 HIS A 2 -4.361 -16.039 -12.331 1.00 54.24 N ATOM 0 H HIS A 2 -2.733 -12.531 -8.990 1.00 3.14 H new ATOM 0 HA HIS A 2 -4.867 -12.020 -10.964 1.00 1.15 H new ATOM 0 HB2 HIS A 2 -4.699 -14.027 -8.717 1.00 23.34 H new ATOM 0 HB3 HIS A 2 -6.232 -13.495 -9.378 1.00 23.34 H new ATOM 0 HD2 HIS A 2 -2.954 -14.749 -11.238 1.00 61.44 H new ATOM 0 HE1 HIS A 2 -6.289 -16.824 -12.771 1.00 42.54 H new ATOM 0 HE2 HIS A 2 -3.764 -16.540 -12.989 1.00 54.24 H new ATOM 27 N GLY A 3 -6.161 -10.594 -9.332 1.00 1.22 N ATOM 28 CA GLY A 3 -6.711 -9.526 -8.525 1.00 2.30 C ATOM 29 C GLY A 3 -7.465 -10.029 -7.311 1.00 52.35 C ATOM 30 O GLY A 3 -8.620 -9.676 -7.094 1.00 75.41 O ATOM 0 H GLY A 3 -6.706 -10.816 -10.165 1.00 1.22 H new ATOM 0 HA2 GLY A 3 -5.903 -8.872 -8.198 1.00 2.30 H new ATOM 0 HA3 GLY A 3 -7.381 -8.923 -9.138 1.00 2.30 H new ATOM 34 N SER A 4 -6.824 -10.842 -6.528 1.00 33.44 N ATOM 35 CA SER A 4 -7.408 -11.363 -5.337 1.00 13.54 C ATOM 36 C SER A 4 -7.118 -10.395 -4.195 1.00 45.24 C ATOM 37 O SER A 4 -5.999 -9.859 -4.091 1.00 72.43 O ATOM 38 CB SER A 4 -6.811 -12.729 -5.043 1.00 54.53 C ATOM 39 OG SER A 4 -6.882 -13.566 -6.197 1.00 71.41 O ATOM 0 H SER A 4 -5.872 -11.164 -6.702 1.00 33.44 H new ATOM 0 HA SER A 4 -8.486 -11.473 -5.453 1.00 13.54 H new ATOM 0 HB2 SER A 4 -5.773 -12.619 -4.730 1.00 54.53 H new ATOM 0 HB3 SER A 4 -7.345 -13.195 -4.215 1.00 54.53 H new ATOM 0 HG SER A 4 -6.492 -14.441 -5.991 1.00 71.41 H new ATOM 45 N ALA A 5 -8.096 -10.148 -3.367 1.00 14.23 N ATOM 46 CA ALA A 5 -7.931 -9.230 -2.279 1.00 23.23 C ATOM 47 C ALA A 5 -7.323 -9.934 -1.085 1.00 50.14 C ATOM 48 O ALA A 5 -8.016 -10.640 -0.343 1.00 64.35 O ATOM 49 CB ALA A 5 -9.256 -8.579 -1.914 1.00 1.11 C ATOM 0 H ALA A 5 -9.021 -10.574 -3.428 1.00 14.23 H new ATOM 0 HA ALA A 5 -7.249 -8.440 -2.593 1.00 23.23 H new ATOM 0 HB1 ALA A 5 -9.105 -7.887 -1.086 1.00 1.11 H new ATOM 0 HB2 ALA A 5 -9.644 -8.035 -2.776 1.00 1.11 H new ATOM 0 HB3 ALA A 5 -9.970 -9.348 -1.619 1.00 1.11 H new ATOM 55 N GLY A 6 -6.024 -9.843 -0.967 1.00 12.53 N ATOM 56 CA GLY A 6 -5.356 -10.403 0.175 1.00 42.33 C ATOM 57 C GLY A 6 -5.329 -9.391 1.272 1.00 2.43 C ATOM 58 O GLY A 6 -6.125 -9.452 2.206 1.00 45.43 O ATOM 0 H GLY A 6 -5.412 -9.389 -1.645 1.00 12.53 H new ATOM 0 HA2 GLY A 6 -5.872 -11.304 0.508 1.00 42.33 H new ATOM 0 HA3 GLY A 6 -4.340 -10.697 -0.090 1.00 42.33 H new ATOM 62 N THR A 7 -4.453 -8.449 1.139 1.00 65.25 N ATOM 63 CA THR A 7 -4.350 -7.350 2.043 1.00 30.23 C ATOM 64 C THR A 7 -4.494 -6.075 1.236 1.00 50.11 C ATOM 65 O THR A 7 -3.717 -5.821 0.309 1.00 12.14 O ATOM 66 CB THR A 7 -2.995 -7.372 2.787 1.00 45.31 C ATOM 67 OG1 THR A 7 -2.865 -8.622 3.502 1.00 33.02 O ATOM 68 CG2 THR A 7 -2.886 -6.212 3.773 1.00 45.42 C ATOM 0 H THR A 7 -3.772 -8.422 0.380 1.00 65.25 H new ATOM 0 HA THR A 7 -5.133 -7.413 2.799 1.00 30.23 H new ATOM 0 HB THR A 7 -2.197 -7.271 2.051 1.00 45.31 H new ATOM 0 HG1 THR A 7 -2.006 -8.641 3.974 1.00 33.02 H new ATOM 0 HG21 THR A 7 -1.922 -6.255 4.280 1.00 45.42 H new ATOM 0 HG22 THR A 7 -2.971 -5.268 3.235 1.00 45.42 H new ATOM 0 HG23 THR A 7 -3.687 -6.284 4.509 1.00 45.42 H new ATOM 76 N SER A 8 -5.512 -5.327 1.507 1.00 10.24 N ATOM 77 CA SER A 8 -5.726 -4.108 0.784 1.00 11.05 C ATOM 78 C SER A 8 -5.275 -2.929 1.627 1.00 61.11 C ATOM 79 O SER A 8 -5.694 -2.781 2.763 1.00 33.44 O ATOM 80 CB SER A 8 -7.193 -3.988 0.384 1.00 74.41 C ATOM 81 OG SER A 8 -7.607 -5.148 -0.342 1.00 15.54 O ATOM 0 H SER A 8 -6.210 -5.534 2.221 1.00 10.24 H new ATOM 0 HA SER A 8 -5.134 -4.114 -0.131 1.00 11.05 H new ATOM 0 HB2 SER A 8 -7.811 -3.868 1.274 1.00 74.41 H new ATOM 0 HB3 SER A 8 -7.338 -3.097 -0.227 1.00 74.41 H new ATOM 0 HG SER A 8 -8.551 -5.059 -0.591 1.00 15.54 H new ATOM 87 N VAL A 9 -4.393 -2.129 1.098 1.00 51.42 N ATOM 88 CA VAL A 9 -3.896 -0.990 1.830 1.00 74.53 C ATOM 89 C VAL A 9 -4.603 0.253 1.345 1.00 60.35 C ATOM 90 O VAL A 9 -4.464 0.642 0.179 1.00 22.12 O ATOM 91 CB VAL A 9 -2.372 -0.807 1.656 1.00 63.52 C ATOM 92 CG1 VAL A 9 -1.858 0.284 2.580 1.00 42.21 C ATOM 93 CG2 VAL A 9 -1.632 -2.112 1.894 1.00 5.13 C ATOM 0 H VAL A 9 -4.001 -2.241 0.163 1.00 51.42 H new ATOM 0 HA VAL A 9 -4.091 -1.161 2.889 1.00 74.53 H new ATOM 0 HB VAL A 9 -2.183 -0.503 0.627 1.00 63.52 H new ATOM 0 HG11 VAL A 9 -0.783 0.399 2.444 1.00 42.21 H new ATOM 0 HG12 VAL A 9 -2.356 1.224 2.345 1.00 42.21 H new ATOM 0 HG13 VAL A 9 -2.066 0.012 3.615 1.00 42.21 H new ATOM 0 HG21 VAL A 9 -0.562 -1.952 1.765 1.00 5.13 H new ATOM 0 HG22 VAL A 9 -1.827 -2.461 2.908 1.00 5.13 H new ATOM 0 HG23 VAL A 9 -1.976 -2.861 1.180 1.00 5.13 H new ATOM 103 N THR A 10 -5.344 0.855 2.217 1.00 14.21 N ATOM 104 CA THR A 10 -6.091 2.021 1.907 1.00 34.34 C ATOM 105 C THR A 10 -5.493 3.187 2.672 1.00 55.13 C ATOM 106 O THR A 10 -5.325 3.129 3.903 1.00 3.44 O ATOM 107 CB THR A 10 -7.578 1.831 2.285 1.00 72.03 C ATOM 108 OG1 THR A 10 -8.074 0.622 1.675 1.00 63.42 O ATOM 109 CG2 THR A 10 -8.421 3.009 1.804 1.00 50.13 C ATOM 0 H THR A 10 -5.446 0.541 3.182 1.00 14.21 H new ATOM 0 HA THR A 10 -6.045 2.216 0.836 1.00 34.34 H new ATOM 0 HB THR A 10 -7.650 1.769 3.371 1.00 72.03 H new ATOM 0 HG1 THR A 10 -8.806 0.259 2.216 1.00 63.42 H new ATOM 0 HG21 THR A 10 -9.462 2.849 2.083 1.00 50.13 H new ATOM 0 HG22 THR A 10 -8.059 3.928 2.265 1.00 50.13 H new ATOM 0 HG23 THR A 10 -8.345 3.092 0.720 1.00 50.13 H new ATOM 117 N LEU A 11 -5.122 4.191 1.952 1.00 33.30 N ATOM 118 CA LEU A 11 -4.533 5.360 2.512 1.00 35.01 C ATOM 119 C LEU A 11 -5.610 6.379 2.746 1.00 1.52 C ATOM 120 O LEU A 11 -6.403 6.670 1.844 1.00 43.24 O ATOM 121 CB LEU A 11 -3.509 5.929 1.559 1.00 50.00 C ATOM 122 CG LEU A 11 -2.459 4.976 1.047 1.00 63.54 C ATOM 123 CD1 LEU A 11 -1.543 5.691 0.072 1.00 52.31 C ATOM 124 CD2 LEU A 11 -1.656 4.366 2.185 1.00 34.52 C ATOM 0 H LEU A 11 -5.222 4.223 0.937 1.00 33.30 H new ATOM 0 HA LEU A 11 -4.043 5.106 3.452 1.00 35.01 H new ATOM 0 HB2 LEU A 11 -4.037 6.347 0.702 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -3.004 6.757 2.057 1.00 50.00 H new ATOM 0 HG LEU A 11 -2.965 4.161 0.530 1.00 63.54 H new ATOM 0 HD11 LEU A 11 -0.787 4.996 -0.294 1.00 52.31 H new ATOM 0 HD12 LEU A 11 -2.128 6.066 -0.768 1.00 52.31 H new ATOM 0 HD13 LEU A 11 -1.055 6.525 0.576 1.00 52.31 H new ATOM 0 HD21 LEU A 11 -0.909 3.684 1.779 1.00 34.52 H new ATOM 0 HD22 LEU A 11 -1.158 5.158 2.745 1.00 34.52 H new ATOM 0 HD23 LEU A 11 -2.324 3.818 2.849 1.00 34.52 H new ATOM 136 N GLN A 12 -5.645 6.888 3.927 1.00 24.42 N ATOM 137 CA GLN A 12 -6.635 7.869 4.333 1.00 13.44 C ATOM 138 C GLN A 12 -5.911 9.223 4.527 1.00 71.50 C ATOM 139 O GLN A 12 -5.112 9.381 5.451 1.00 55.42 O ATOM 140 CB GLN A 12 -7.281 7.383 5.647 1.00 45.44 C ATOM 141 CG GLN A 12 -8.667 7.947 5.982 1.00 61.13 C ATOM 142 CD GLN A 12 -8.719 9.448 6.104 1.00 31.12 C ATOM 143 OE1 GLN A 12 -8.994 10.153 5.140 1.00 10.11 O ATOM 144 NE2 GLN A 12 -8.466 9.952 7.274 1.00 55.02 N ATOM 0 H GLN A 12 -4.983 6.642 4.663 1.00 24.42 H new ATOM 0 HA GLN A 12 -7.419 7.993 3.586 1.00 13.44 H new ATOM 0 HB2 GLN A 12 -7.356 6.296 5.608 1.00 45.44 H new ATOM 0 HB3 GLN A 12 -6.607 7.626 6.468 1.00 45.44 H new ATOM 0 HG2 GLN A 12 -9.369 7.634 5.209 1.00 61.13 H new ATOM 0 HG3 GLN A 12 -9.007 7.507 6.919 1.00 61.13 H new ATOM 0 HE21 GLN A 12 -8.240 9.337 8.056 1.00 55.02 H new ATOM 0 HE22 GLN A 12 -8.493 10.962 7.411 1.00 55.02 H new ATOM 153 N LEU A 13 -6.179 10.159 3.650 1.00 42.13 N ATOM 154 CA LEU A 13 -5.527 11.449 3.625 1.00 35.10 C ATOM 155 C LEU A 13 -6.438 12.514 4.165 1.00 55.42 C ATOM 156 O LEU A 13 -7.599 12.630 3.729 1.00 11.21 O ATOM 157 CB LEU A 13 -5.183 11.813 2.174 1.00 34.24 C ATOM 158 CG LEU A 13 -4.578 13.196 1.945 1.00 73.23 C ATOM 159 CD1 LEU A 13 -3.201 13.319 2.580 1.00 20.20 C ATOM 160 CD2 LEU A 13 -4.532 13.539 0.467 1.00 40.13 C ATOM 0 H LEU A 13 -6.875 10.043 2.913 1.00 42.13 H new ATOM 0 HA LEU A 13 -4.628 11.391 4.238 1.00 35.10 H new ATOM 0 HB2 LEU A 13 -4.486 11.068 1.791 1.00 34.24 H new ATOM 0 HB3 LEU A 13 -6.092 11.735 1.578 1.00 34.24 H new ATOM 0 HG LEU A 13 -5.229 13.919 2.436 1.00 73.23 H new ATOM 0 HD11 LEU A 13 -2.803 14.317 2.396 1.00 20.20 H new ATOM 0 HD12 LEU A 13 -3.280 13.152 3.654 1.00 20.20 H new ATOM 0 HD13 LEU A 13 -2.532 12.576 2.146 1.00 20.20 H new ATOM 0 HD21 LEU A 13 -4.096 14.530 0.337 1.00 40.13 H new ATOM 0 HD22 LEU A 13 -3.924 12.803 -0.059 1.00 40.13 H new ATOM 0 HD23 LEU A 13 -5.543 13.531 0.060 1.00 40.13 H new ATOM 172 N ASP A 14 -5.934 13.313 5.065 1.00 52.44 N ATOM 173 CA ASP A 14 -6.704 14.407 5.547 1.00 12.13 C ATOM 174 C ASP A 14 -6.306 15.657 4.833 1.00 11.15 C ATOM 175 O ASP A 14 -5.253 16.242 5.081 1.00 4.12 O ATOM 176 CB ASP A 14 -6.608 14.612 7.044 1.00 20.31 C ATOM 177 CG ASP A 14 -7.438 15.795 7.483 1.00 0.21 C ATOM 178 OD1 ASP A 14 -8.672 15.683 7.485 1.00 22.44 O ATOM 179 OD2 ASP A 14 -6.877 16.864 7.812 1.00 1.35 O ATOM 0 H ASP A 14 -5.003 13.222 5.471 1.00 52.44 H new ATOM 0 HA ASP A 14 -7.747 14.164 5.342 1.00 12.13 H new ATOM 0 HB2 ASP A 14 -6.947 13.714 7.560 1.00 20.31 H new ATOM 0 HB3 ASP A 14 -5.567 14.768 7.327 1.00 20.31 H new ATOM 184 N ASP A 15 -7.110 16.014 3.899 1.00 70.12 N ATOM 185 CA ASP A 15 -6.944 17.233 3.151 1.00 53.22 C ATOM 186 C ASP A 15 -7.940 18.248 3.691 1.00 32.43 C ATOM 187 O ASP A 15 -8.013 19.395 3.239 1.00 32.34 O ATOM 188 CB ASP A 15 -7.236 16.970 1.662 1.00 71.24 C ATOM 189 CG ASP A 15 -8.695 16.617 1.401 1.00 2.43 C ATOM 190 OD1 ASP A 15 -9.273 15.820 2.169 1.00 14.13 O ATOM 191 OD2 ASP A 15 -9.288 17.159 0.448 1.00 62.45 O ATOM 0 H ASP A 15 -7.922 15.465 3.618 1.00 70.12 H new ATOM 0 HA ASP A 15 -5.924 17.605 3.249 1.00 53.22 H new ATOM 0 HB2 ASP A 15 -6.971 17.855 1.083 1.00 71.24 H new ATOM 0 HB3 ASP A 15 -6.601 16.157 1.310 1.00 71.24 H new ATOM 196 N GLY A 16 -8.704 17.800 4.667 1.00 23.51 N ATOM 197 CA GLY A 16 -9.746 18.589 5.244 1.00 64.35 C ATOM 198 C GLY A 16 -11.096 18.004 4.915 1.00 2.55 C ATOM 199 O GLY A 16 -12.077 18.261 5.604 1.00 13.04 O ATOM 0 H GLY A 16 -8.610 16.871 5.077 1.00 23.51 H new ATOM 0 HA2 GLY A 16 -9.618 18.637 6.325 1.00 64.35 H new ATOM 0 HA3 GLY A 16 -9.685 19.611 4.870 1.00 64.35 H new ATOM 203 N SER A 17 -11.143 17.211 3.861 1.00 62.32 N ATOM 204 CA SER A 17 -12.366 16.581 3.443 1.00 13.45 C ATOM 205 C SER A 17 -12.295 15.074 3.711 1.00 10.42 C ATOM 206 O SER A 17 -13.237 14.470 4.235 1.00 54.44 O ATOM 207 CB SER A 17 -12.583 16.837 1.954 1.00 33.10 C ATOM 208 OG SER A 17 -12.526 18.228 1.664 1.00 11.44 O ATOM 0 H SER A 17 -10.335 16.991 3.278 1.00 62.32 H new ATOM 0 HA SER A 17 -13.200 16.998 4.007 1.00 13.45 H new ATOM 0 HB2 SER A 17 -11.824 16.310 1.376 1.00 33.10 H new ATOM 0 HB3 SER A 17 -13.550 16.437 1.650 1.00 33.10 H new ATOM 0 HG SER A 17 -12.666 18.368 0.704 1.00 11.44 H new ATOM 214 N GLY A 18 -11.183 14.483 3.351 1.00 42.22 N ATOM 215 CA GLY A 18 -10.991 13.078 3.524 1.00 24.44 C ATOM 216 C GLY A 18 -10.850 12.401 2.190 1.00 50.22 C ATOM 217 O GLY A 18 -11.840 12.229 1.455 1.00 71.30 O ATOM 0 H GLY A 18 -10.390 14.968 2.931 1.00 42.22 H new ATOM 0 HA2 GLY A 18 -10.101 12.898 4.127 1.00 24.44 H new ATOM 0 HA3 GLY A 18 -11.835 12.653 4.067 1.00 24.44 H new ATOM 221 N ARG A 19 -9.643 12.078 1.830 1.00 54.02 N ATOM 222 CA ARG A 19 -9.372 11.406 0.572 1.00 53.30 C ATOM 223 C ARG A 19 -8.832 10.049 0.832 1.00 22.55 C ATOM 224 O ARG A 19 -8.202 9.822 1.845 1.00 42.32 O ATOM 225 CB ARG A 19 -8.367 12.167 -0.269 1.00 51.12 C ATOM 226 CG ARG A 19 -8.775 13.571 -0.697 1.00 2.41 C ATOM 227 CD ARG A 19 -9.920 13.602 -1.712 1.00 4.34 C ATOM 228 NE ARG A 19 -11.183 13.058 -1.191 1.00 43.42 N ATOM 229 CZ ARG A 19 -12.288 12.872 -1.908 1.00 51.15 C ATOM 230 NH1 ARG A 19 -12.369 13.345 -3.144 1.00 14.44 N ATOM 231 NH2 ARG A 19 -13.324 12.247 -1.363 1.00 52.55 N ATOM 0 H ARG A 19 -8.813 12.268 2.392 1.00 54.02 H new ATOM 0 HA ARG A 19 -10.314 11.350 0.026 1.00 53.30 H new ATOM 0 HB2 ARG A 19 -7.434 12.237 0.291 1.00 51.12 H new ATOM 0 HB3 ARG A 19 -8.158 11.583 -1.165 1.00 51.12 H new ATOM 0 HG2 ARG A 19 -9.070 14.138 0.186 1.00 2.41 H new ATOM 0 HG3 ARG A 19 -7.909 14.076 -1.125 1.00 2.41 H new ATOM 0 HD2 ARG A 19 -10.082 14.631 -2.033 1.00 4.34 H new ATOM 0 HD3 ARG A 19 -9.627 13.035 -2.596 1.00 4.34 H new ATOM 0 HE ARG A 19 -11.214 12.804 -0.204 1.00 43.42 H new ATOM 0 HH11 ARG A 19 -11.582 13.853 -3.548 1.00 14.44 H new ATOM 0 HH12 ARG A 19 -13.218 13.200 -3.691 1.00 14.44 H new ATOM 0 HH21 ARG A 19 -13.270 11.913 -0.401 1.00 52.55 H new ATOM 0 HH22 ARG A 19 -14.175 12.101 -1.906 1.00 52.55 H new ATOM 245 N THR A 20 -9.064 9.164 -0.071 1.00 52.14 N ATOM 246 CA THR A 20 -8.596 7.815 0.064 1.00 63.43 C ATOM 247 C THR A 20 -7.976 7.321 -1.242 1.00 10.41 C ATOM 248 O THR A 20 -8.428 7.692 -2.337 1.00 43.41 O ATOM 249 CB THR A 20 -9.740 6.872 0.527 1.00 61.15 C ATOM 250 OG1 THR A 20 -10.888 7.028 -0.331 1.00 55.13 O ATOM 251 CG2 THR A 20 -10.139 7.183 1.960 1.00 42.22 C ATOM 0 H THR A 20 -9.584 9.347 -0.929 1.00 52.14 H new ATOM 0 HA THR A 20 -7.822 7.803 0.831 1.00 63.43 H new ATOM 0 HB THR A 20 -9.380 5.845 0.471 1.00 61.15 H new ATOM 0 HG1 THR A 20 -11.603 6.428 -0.032 1.00 55.13 H new ATOM 0 HG21 THR A 20 -10.942 6.513 2.268 1.00 42.22 H new ATOM 0 HG22 THR A 20 -9.279 7.044 2.615 1.00 42.22 H new ATOM 0 HG23 THR A 20 -10.483 8.215 2.026 1.00 42.22 H new ATOM 259 N TYR A 21 -6.919 6.555 -1.125 1.00 60.20 N ATOM 260 CA TYR A 21 -6.245 5.961 -2.263 1.00 61.13 C ATOM 261 C TYR A 21 -5.835 4.564 -1.868 1.00 2.50 C ATOM 262 O TYR A 21 -5.334 4.369 -0.773 1.00 1.12 O ATOM 263 CB TYR A 21 -5.000 6.798 -2.646 1.00 72.50 C ATOM 264 CG TYR A 21 -4.209 6.273 -3.844 1.00 4.41 C ATOM 265 CD1 TYR A 21 -4.668 6.464 -5.139 1.00 32.23 C ATOM 266 CD2 TYR A 21 -2.993 5.608 -3.674 1.00 11.33 C ATOM 267 CE1 TYR A 21 -3.946 6.008 -6.228 1.00 13.12 C ATOM 268 CE2 TYR A 21 -2.268 5.147 -4.762 1.00 32.33 C ATOM 269 CZ TYR A 21 -2.752 5.352 -6.038 1.00 32.53 C ATOM 270 OH TYR A 21 -2.032 4.908 -7.137 1.00 45.34 O ATOM 0 H TYR A 21 -6.494 6.321 -0.228 1.00 60.20 H new ATOM 0 HA TYR A 21 -6.907 5.935 -3.129 1.00 61.13 H new ATOM 0 HB2 TYR A 21 -5.319 7.818 -2.860 1.00 72.50 H new ATOM 0 HB3 TYR A 21 -4.335 6.846 -1.784 1.00 72.50 H new ATOM 0 HD1 TYR A 21 -5.605 6.977 -5.300 1.00 32.23 H new ATOM 0 HD2 TYR A 21 -2.610 5.450 -2.677 1.00 11.33 H new ATOM 0 HE1 TYR A 21 -4.321 6.167 -7.228 1.00 13.12 H new ATOM 0 HE2 TYR A 21 -1.331 4.631 -4.612 1.00 32.33 H new ATOM 0 HH TYR A 21 -1.212 4.466 -6.834 1.00 45.34 H new ATOM 280 N GLN A 22 -6.073 3.602 -2.707 1.00 21.24 N ATOM 281 CA GLN A 22 -5.690 2.253 -2.387 1.00 44.32 C ATOM 282 C GLN A 22 -4.428 1.909 -3.146 1.00 41.04 C ATOM 283 O GLN A 22 -4.285 2.266 -4.321 1.00 2.31 O ATOM 284 CB GLN A 22 -6.819 1.264 -2.703 1.00 11.33 C ATOM 285 CG GLN A 22 -6.531 -0.172 -2.266 1.00 40.24 C ATOM 286 CD GLN A 22 -7.686 -1.110 -2.526 1.00 53.42 C ATOM 287 OE1 GLN A 22 -8.850 -0.704 -2.512 1.00 5.14 O ATOM 288 NE2 GLN A 22 -7.389 -2.360 -2.752 1.00 21.22 N ATOM 0 H GLN A 22 -6.527 3.720 -3.613 1.00 21.24 H new ATOM 0 HA GLN A 22 -5.497 2.178 -1.317 1.00 44.32 H new ATOM 0 HB2 GLN A 22 -7.733 1.604 -2.216 1.00 11.33 H new ATOM 0 HB3 GLN A 22 -7.007 1.275 -3.777 1.00 11.33 H new ATOM 0 HG2 GLN A 22 -5.649 -0.536 -2.792 1.00 40.24 H new ATOM 0 HG3 GLN A 22 -6.294 -0.182 -1.202 1.00 40.24 H new ATOM 0 HE21 GLN A 22 -6.414 -2.660 -2.756 1.00 21.22 H new ATOM 0 HE22 GLN A 22 -8.132 -3.037 -2.925 1.00 21.22 H new ATOM 297 N LEU A 23 -3.508 1.264 -2.475 1.00 70.13 N ATOM 298 CA LEU A 23 -2.260 0.879 -3.084 1.00 55.32 C ATOM 299 C LEU A 23 -2.457 -0.292 -4.009 1.00 43.24 C ATOM 300 O LEU A 23 -3.136 -1.268 -3.667 1.00 12.00 O ATOM 301 CB LEU A 23 -1.204 0.523 -2.038 1.00 13.44 C ATOM 302 CG LEU A 23 -0.742 1.647 -1.114 1.00 23.40 C ATOM 303 CD1 LEU A 23 0.306 1.128 -0.157 1.00 65.03 C ATOM 304 CD2 LEU A 23 -0.187 2.807 -1.920 1.00 34.32 C ATOM 0 H LEU A 23 -3.602 0.992 -1.496 1.00 70.13 H new ATOM 0 HA LEU A 23 -1.906 1.739 -3.653 1.00 55.32 H new ATOM 0 HB2 LEU A 23 -1.597 -0.284 -1.420 1.00 13.44 H new ATOM 0 HB3 LEU A 23 -0.330 0.130 -2.558 1.00 13.44 H new ATOM 0 HG LEU A 23 -1.599 2.004 -0.544 1.00 23.40 H new ATOM 0 HD11 LEU A 23 0.631 1.935 0.499 1.00 65.03 H new ATOM 0 HD12 LEU A 23 -0.116 0.321 0.442 1.00 65.03 H new ATOM 0 HD13 LEU A 23 1.160 0.753 -0.721 1.00 65.03 H new ATOM 0 HD21 LEU A 23 0.137 3.598 -1.244 1.00 34.32 H new ATOM 0 HD22 LEU A 23 0.662 2.465 -2.512 1.00 34.32 H new ATOM 0 HD23 LEU A 23 -0.961 3.192 -2.584 1.00 34.32 H new ATOM 316 N ARG A 24 -1.896 -0.187 -5.169 1.00 41.23 N ATOM 317 CA ARG A 24 -1.942 -1.246 -6.128 1.00 33.04 C ATOM 318 C ARG A 24 -0.610 -1.963 -6.078 1.00 32.33 C ATOM 319 O ARG A 24 0.352 -1.429 -5.503 1.00 1.42 O ATOM 320 CB ARG A 24 -2.200 -0.683 -7.524 1.00 72.00 C ATOM 321 CG ARG A 24 -3.495 0.109 -7.633 1.00 3.52 C ATOM 322 CD ARG A 24 -3.666 0.696 -9.017 1.00 10.32 C ATOM 323 NE ARG A 24 -4.866 1.538 -9.122 1.00 11.14 N ATOM 324 CZ ARG A 24 -4.922 2.705 -9.790 1.00 3.32 C ATOM 325 NH1 ARG A 24 -3.812 3.236 -10.320 1.00 0.11 N ATOM 326 NH2 ARG A 24 -6.079 3.349 -9.906 1.00 30.33 N ATOM 0 H ARG A 24 -1.389 0.641 -5.482 1.00 41.23 H new ATOM 0 HA ARG A 24 -2.752 -1.939 -5.899 1.00 33.04 H new ATOM 0 HB2 ARG A 24 -1.366 -0.040 -7.807 1.00 72.00 H new ATOM 0 HB3 ARG A 24 -2.226 -1.505 -8.239 1.00 72.00 H new ATOM 0 HG2 ARG A 24 -4.341 -0.539 -7.404 1.00 3.52 H new ATOM 0 HG3 ARG A 24 -3.497 0.910 -6.893 1.00 3.52 H new ATOM 0 HD2 ARG A 24 -2.786 1.288 -9.269 1.00 10.32 H new ATOM 0 HD3 ARG A 24 -3.727 -0.111 -9.747 1.00 10.32 H new ATOM 0 HE ARG A 24 -5.715 1.216 -8.657 1.00 11.14 H new ATOM 0 HH11 ARG A 24 -2.918 2.755 -10.218 1.00 0.11 H new ATOM 0 HH12 ARG A 24 -3.861 4.121 -10.825 1.00 0.11 H new ATOM 0 HH21 ARG A 24 -6.924 2.959 -9.489 1.00 30.33 H new ATOM 0 HH22 ARG A 24 -6.122 4.234 -10.412 1.00 30.33 H new ATOM 340 N GLU A 25 -0.550 -3.146 -6.643 1.00 0.41 N ATOM 341 CA GLU A 25 0.670 -3.934 -6.649 1.00 33.33 C ATOM 342 C GLU A 25 1.758 -3.262 -7.490 1.00 22.02 C ATOM 343 O GLU A 25 1.558 -2.960 -8.679 1.00 71.14 O ATOM 344 CB GLU A 25 0.397 -5.356 -7.142 1.00 65.04 C ATOM 345 CG GLU A 25 -0.317 -5.433 -8.476 1.00 1.25 C ATOM 346 CD GLU A 25 -0.296 -6.813 -9.033 1.00 62.50 C ATOM 347 OE1 GLU A 25 0.731 -7.186 -9.647 1.00 24.22 O ATOM 348 OE2 GLU A 25 -1.283 -7.562 -8.853 1.00 25.24 O ATOM 0 H GLU A 25 -1.339 -3.592 -7.111 1.00 0.41 H new ATOM 0 HA GLU A 25 1.034 -3.995 -5.623 1.00 33.33 H new ATOM 0 HB2 GLU A 25 1.345 -5.888 -7.221 1.00 65.04 H new ATOM 0 HB3 GLU A 25 -0.200 -5.878 -6.394 1.00 65.04 H new ATOM 0 HG2 GLU A 25 -1.349 -5.105 -8.356 1.00 1.25 H new ATOM 0 HG3 GLU A 25 0.155 -4.749 -9.181 1.00 1.25 H new ATOM 355 N GLY A 26 2.890 -3.048 -6.890 1.00 53.40 N ATOM 356 CA GLY A 26 3.961 -2.350 -7.545 1.00 14.12 C ATOM 357 C GLY A 26 4.226 -1.068 -6.820 1.00 73.21 C ATOM 358 O GLY A 26 3.764 -0.899 -5.686 1.00 61.44 O ATOM 0 H GLY A 26 3.099 -3.349 -5.938 1.00 53.40 H new ATOM 0 HA2 GLY A 26 4.859 -2.967 -7.558 1.00 14.12 H new ATOM 0 HA3 GLY A 26 3.698 -2.147 -8.583 1.00 14.12 H new ATOM 362 N SER A 27 4.936 -0.164 -7.415 1.00 72.11 N ATOM 363 CA SER A 27 5.201 1.060 -6.750 1.00 50.44 C ATOM 364 C SER A 27 4.160 2.116 -7.086 1.00 73.31 C ATOM 365 O SER A 27 3.742 2.269 -8.238 1.00 31.15 O ATOM 366 CB SER A 27 6.631 1.531 -6.982 1.00 0.43 C ATOM 367 OG SER A 27 6.935 1.670 -8.364 1.00 44.42 O ATOM 0 H SER A 27 5.336 -0.252 -8.349 1.00 72.11 H new ATOM 0 HA SER A 27 5.116 0.881 -5.678 1.00 50.44 H new ATOM 0 HB2 SER A 27 6.782 2.487 -6.481 1.00 0.43 H new ATOM 0 HB3 SER A 27 7.323 0.821 -6.529 1.00 0.43 H new ATOM 0 HG SER A 27 7.861 1.975 -8.466 1.00 44.42 H new ATOM 373 N ASN A 28 3.722 2.797 -6.069 1.00 60.21 N ATOM 374 CA ASN A 28 2.718 3.827 -6.155 1.00 32.10 C ATOM 375 C ASN A 28 3.397 5.119 -5.792 1.00 30.33 C ATOM 376 O ASN A 28 3.957 5.231 -4.704 1.00 65.42 O ATOM 377 CB ASN A 28 1.571 3.536 -5.159 1.00 1.43 C ATOM 378 CG ASN A 28 0.866 2.196 -5.404 1.00 5.40 C ATOM 379 OD1 ASN A 28 -0.144 2.120 -6.118 1.00 44.02 O ATOM 380 ND2 ASN A 28 1.386 1.138 -4.817 1.00 35.15 N ATOM 0 H ASN A 28 4.064 2.648 -5.120 1.00 60.21 H new ATOM 0 HA ASN A 28 2.288 3.873 -7.155 1.00 32.10 H new ATOM 0 HB2 ASN A 28 1.971 3.546 -4.145 1.00 1.43 H new ATOM 0 HB3 ASN A 28 0.837 4.339 -5.220 1.00 1.43 H new ATOM 0 HD21 ASN A 28 0.956 0.222 -4.944 1.00 35.15 H new ATOM 0 HD22 ASN A 28 2.218 1.235 -4.235 1.00 35.15 H new ATOM 387 N ILE A 29 3.397 6.065 -6.693 1.00 31.42 N ATOM 388 CA ILE A 29 4.118 7.315 -6.479 1.00 44.33 C ATOM 389 C ILE A 29 3.149 8.490 -6.328 1.00 70.35 C ATOM 390 O ILE A 29 2.202 8.634 -7.123 1.00 35.14 O ATOM 391 CB ILE A 29 5.111 7.591 -7.653 1.00 72.32 C ATOM 392 CG1 ILE A 29 6.041 6.376 -7.850 1.00 32.03 C ATOM 393 CG2 ILE A 29 5.934 8.858 -7.384 1.00 35.12 C ATOM 394 CD1 ILE A 29 7.010 6.503 -9.008 1.00 23.24 C ATOM 0 H ILE A 29 2.909 6.004 -7.586 1.00 31.42 H new ATOM 0 HA ILE A 29 4.687 7.214 -5.555 1.00 44.33 H new ATOM 0 HB ILE A 29 4.536 7.749 -8.565 1.00 72.32 H new ATOM 0 HG12 ILE A 29 6.610 6.218 -6.934 1.00 32.03 H new ATOM 0 HG13 ILE A 29 5.428 5.487 -8.002 1.00 32.03 H new ATOM 0 HG21 ILE A 29 6.618 9.030 -8.215 1.00 35.12 H new ATOM 0 HG22 ILE A 29 5.264 9.712 -7.282 1.00 35.12 H new ATOM 0 HG23 ILE A 29 6.505 8.733 -6.464 1.00 35.12 H new ATOM 0 HD11 ILE A 29 7.623 5.604 -9.070 1.00 23.24 H new ATOM 0 HD12 ILE A 29 6.453 6.627 -9.937 1.00 23.24 H new ATOM 0 HD13 ILE A 29 7.652 7.370 -8.851 1.00 23.24 H new ATOM 406 N ILE A 30 3.384 9.306 -5.316 1.00 22.32 N ATOM 407 CA ILE A 30 2.574 10.479 -5.032 1.00 52.14 C ATOM 408 C ILE A 30 3.401 11.743 -5.311 1.00 30.13 C ATOM 409 O ILE A 30 4.603 11.794 -4.987 1.00 30.34 O ATOM 410 CB ILE A 30 2.078 10.483 -3.543 1.00 42.32 C ATOM 411 CG1 ILE A 30 1.252 9.214 -3.246 1.00 43.10 C ATOM 412 CG2 ILE A 30 1.280 11.752 -3.225 1.00 64.02 C ATOM 413 CD1 ILE A 30 0.775 9.097 -1.810 1.00 65.11 C ATOM 0 H ILE A 30 4.153 9.172 -4.659 1.00 22.32 H new ATOM 0 HA ILE A 30 1.695 10.458 -5.676 1.00 52.14 H new ATOM 0 HB ILE A 30 2.954 10.479 -2.894 1.00 42.32 H new ATOM 0 HG12 ILE A 30 0.385 9.197 -3.906 1.00 43.10 H new ATOM 0 HG13 ILE A 30 1.854 8.338 -3.488 1.00 43.10 H new ATOM 0 HG21 ILE A 30 0.951 11.724 -2.186 1.00 64.02 H new ATOM 0 HG22 ILE A 30 1.910 12.627 -3.382 1.00 64.02 H new ATOM 0 HG23 ILE A 30 0.410 11.809 -3.880 1.00 64.02 H new ATOM 0 HD11 ILE A 30 0.203 8.177 -1.690 1.00 65.11 H new ATOM 0 HD12 ILE A 30 1.635 9.079 -1.141 1.00 65.11 H new ATOM 0 HD13 ILE A 30 0.143 9.951 -1.566 1.00 65.11 H new ATOM 425 N GLY A 31 2.773 12.718 -5.930 1.00 34.31 N ATOM 426 CA GLY A 31 3.406 13.976 -6.264 1.00 20.12 C ATOM 427 C GLY A 31 2.622 14.618 -7.350 1.00 13.13 C ATOM 428 O GLY A 31 1.430 14.419 -7.397 1.00 62.24 O ATOM 0 H GLY A 31 1.797 12.660 -6.219 1.00 34.31 H new ATOM 0 HA2 GLY A 31 3.446 14.625 -5.389 1.00 20.12 H new ATOM 0 HA3 GLY A 31 4.434 13.810 -6.585 1.00 20.12 H new ATOM 432 N ARG A 32 3.236 15.414 -8.179 1.00 11.52 N ATOM 433 CA ARG A 32 2.556 15.937 -9.365 1.00 54.13 C ATOM 434 C ARG A 32 3.532 15.872 -10.507 1.00 11.14 C ATOM 435 O ARG A 32 4.477 16.670 -10.563 1.00 63.33 O ATOM 436 CB ARG A 32 2.183 17.400 -9.215 1.00 22.13 C ATOM 437 CG ARG A 32 1.406 17.782 -7.992 1.00 2.03 C ATOM 438 CD ARG A 32 1.087 19.268 -8.042 1.00 24.41 C ATOM 439 NE ARG A 32 2.308 20.071 -8.265 1.00 71.41 N ATOM 440 CZ ARG A 32 2.458 21.371 -8.019 1.00 62.22 C ATOM 441 NH1 ARG A 32 1.475 22.077 -7.470 1.00 50.12 N ATOM 442 NH2 ARG A 32 3.603 21.958 -8.334 1.00 71.23 N ATOM 0 H ARG A 32 4.202 15.723 -8.070 1.00 11.52 H new ATOM 0 HA ARG A 32 1.651 15.349 -9.521 1.00 54.13 H new ATOM 0 HB2 ARG A 32 3.101 17.987 -9.230 1.00 22.13 H new ATOM 0 HB3 ARG A 32 1.603 17.693 -10.090 1.00 22.13 H new ATOM 0 HG2 ARG A 32 0.485 17.202 -7.937 1.00 2.03 H new ATOM 0 HG3 ARG A 32 1.981 17.552 -7.095 1.00 2.03 H new ATOM 0 HD2 ARG A 32 0.371 19.462 -8.840 1.00 24.41 H new ATOM 0 HD3 ARG A 32 0.614 19.572 -7.108 1.00 24.41 H new ATOM 0 HE ARG A 32 3.117 19.580 -8.646 1.00 71.41 H new ATOM 0 HH11 ARG A 32 0.593 21.624 -7.232 1.00 50.12 H new ATOM 0 HH12 ARG A 32 1.603 23.072 -7.287 1.00 50.12 H new ATOM 0 HH21 ARG A 32 4.355 21.415 -8.759 1.00 71.23 H new ATOM 0 HH22 ARG A 32 3.733 22.953 -8.152 1.00 71.23 H new ATOM 456 N GLY A 33 3.328 14.953 -11.386 1.00 73.34 N ATOM 457 CA GLY A 33 4.191 14.792 -12.510 1.00 72.44 C ATOM 458 C GLY A 33 3.767 13.599 -13.300 1.00 53.02 C ATOM 459 O GLY A 33 2.787 12.943 -12.938 1.00 13.13 O ATOM 0 H GLY A 33 2.556 14.288 -11.348 1.00 73.34 H new ATOM 0 HA2 GLY A 33 4.161 15.684 -13.135 1.00 72.44 H new ATOM 0 HA3 GLY A 33 5.222 14.672 -12.176 1.00 72.44 H new ATOM 463 N GLN A 34 4.496 13.282 -14.337 1.00 1.34 N ATOM 464 CA GLN A 34 4.188 12.123 -15.157 1.00 10.24 C ATOM 465 C GLN A 34 4.657 10.828 -14.497 1.00 33.10 C ATOM 466 O GLN A 34 4.199 9.737 -14.845 1.00 11.10 O ATOM 467 CB GLN A 34 4.739 12.276 -16.568 1.00 11.22 C ATOM 468 CG GLN A 34 4.014 13.342 -17.375 1.00 15.44 C ATOM 469 CD GLN A 34 4.570 13.516 -18.768 1.00 60.10 C ATOM 470 OE1 GLN A 34 5.109 12.584 -19.364 1.00 23.10 O ATOM 471 NE2 GLN A 34 4.407 14.690 -19.315 1.00 33.44 N ATOM 0 H GLN A 34 5.314 13.809 -14.642 1.00 1.34 H new ATOM 0 HA GLN A 34 3.103 12.061 -15.243 1.00 10.24 H new ATOM 0 HB2 GLN A 34 5.798 12.527 -16.514 1.00 11.22 H new ATOM 0 HB3 GLN A 34 4.664 11.321 -17.087 1.00 11.22 H new ATOM 0 HG2 GLN A 34 2.958 13.081 -17.443 1.00 15.44 H new ATOM 0 HG3 GLN A 34 4.074 14.293 -16.846 1.00 15.44 H new ATOM 0 HE21 GLN A 34 3.956 15.439 -18.790 1.00 33.44 H new ATOM 0 HE22 GLN A 34 4.731 14.858 -20.267 1.00 33.44 H new ATOM 480 N ASP A 35 5.567 10.942 -13.542 1.00 30.55 N ATOM 481 CA ASP A 35 5.980 9.773 -12.755 1.00 61.41 C ATOM 482 C ASP A 35 5.115 9.619 -11.544 1.00 44.31 C ATOM 483 O ASP A 35 5.211 8.634 -10.819 1.00 23.21 O ATOM 484 CB ASP A 35 7.457 9.784 -12.339 1.00 70.12 C ATOM 485 CG ASP A 35 8.365 9.175 -13.373 1.00 14.12 C ATOM 486 OD1 ASP A 35 8.366 7.931 -13.530 1.00 4.41 O ATOM 487 OD2 ASP A 35 9.122 9.913 -14.030 1.00 42.24 O ATOM 0 H ASP A 35 6.032 11.814 -13.290 1.00 30.55 H new ATOM 0 HA ASP A 35 5.854 8.918 -13.420 1.00 61.41 H new ATOM 0 HB2 ASP A 35 7.768 10.812 -12.151 1.00 70.12 H new ATOM 0 HB3 ASP A 35 7.568 9.241 -11.401 1.00 70.12 H new ATOM 492 N ALA A 36 4.263 10.584 -11.325 1.00 50.00 N ATOM 493 CA ALA A 36 3.344 10.527 -10.237 1.00 0.45 C ATOM 494 C ALA A 36 2.104 9.808 -10.699 1.00 64.32 C ATOM 495 O ALA A 36 1.680 9.955 -11.850 1.00 51.42 O ATOM 496 CB ALA A 36 3.001 11.915 -9.736 1.00 53.52 C ATOM 0 H ALA A 36 4.192 11.426 -11.897 1.00 50.00 H new ATOM 0 HA ALA A 36 3.799 9.989 -9.406 1.00 0.45 H new ATOM 0 HB1 ALA A 36 2.298 11.839 -8.906 1.00 53.52 H new ATOM 0 HB2 ALA A 36 3.909 12.414 -9.398 1.00 53.52 H new ATOM 0 HB3 ALA A 36 2.549 12.492 -10.543 1.00 53.52 H new ATOM 502 N GLN A 37 1.571 9.005 -9.851 1.00 15.34 N ATOM 503 CA GLN A 37 0.389 8.256 -10.143 1.00 44.13 C ATOM 504 C GLN A 37 -0.767 8.933 -9.472 1.00 74.25 C ATOM 505 O GLN A 37 -1.773 9.265 -10.102 1.00 12.25 O ATOM 506 CB GLN A 37 0.575 6.845 -9.644 1.00 54.33 C ATOM 507 CG GLN A 37 1.659 6.101 -10.389 1.00 0.15 C ATOM 508 CD GLN A 37 2.053 4.830 -9.709 1.00 44.03 C ATOM 509 OE1 GLN A 37 1.260 4.213 -9.019 1.00 14.35 O ATOM 510 NE2 GLN A 37 3.276 4.434 -9.887 1.00 63.31 N ATOM 0 H GLN A 37 1.946 8.842 -8.916 1.00 15.34 H new ATOM 0 HA GLN A 37 0.194 8.212 -11.215 1.00 44.13 H new ATOM 0 HB2 GLN A 37 0.820 6.869 -8.582 1.00 54.33 H new ATOM 0 HB3 GLN A 37 -0.365 6.302 -9.742 1.00 54.33 H new ATOM 0 HG2 GLN A 37 1.313 5.877 -11.398 1.00 0.15 H new ATOM 0 HG3 GLN A 37 2.534 6.743 -10.487 1.00 0.15 H new ATOM 0 HE21 GLN A 37 3.909 4.979 -10.472 1.00 63.31 H new ATOM 0 HE22 GLN A 37 3.605 3.577 -9.441 1.00 63.31 H new ATOM 519 N PHE A 38 -0.607 9.164 -8.205 1.00 62.15 N ATOM 520 CA PHE A 38 -1.552 9.907 -7.459 1.00 23.25 C ATOM 521 C PHE A 38 -1.019 11.300 -7.355 1.00 44.35 C ATOM 522 O PHE A 38 -0.008 11.547 -6.682 1.00 62.35 O ATOM 523 CB PHE A 38 -1.765 9.288 -6.073 1.00 12.13 C ATOM 524 CG PHE A 38 -2.662 10.087 -5.158 1.00 61.42 C ATOM 525 CD1 PHE A 38 -4.021 10.186 -5.396 1.00 1.20 C ATOM 526 CD2 PHE A 38 -2.137 10.732 -4.056 1.00 62.51 C ATOM 527 CE1 PHE A 38 -4.835 10.915 -4.549 1.00 44.54 C ATOM 528 CE2 PHE A 38 -2.932 11.453 -3.210 1.00 25.24 C ATOM 529 CZ PHE A 38 -4.289 11.550 -3.450 1.00 45.43 C ATOM 0 H PHE A 38 0.193 8.836 -7.663 1.00 62.15 H new ATOM 0 HA PHE A 38 -2.525 9.904 -7.950 1.00 23.25 H new ATOM 0 HB2 PHE A 38 -2.189 8.291 -6.196 1.00 12.13 H new ATOM 0 HB3 PHE A 38 -0.795 9.165 -5.592 1.00 12.13 H new ATOM 0 HD1 PHE A 38 -4.451 9.688 -6.253 1.00 1.20 H new ATOM 0 HD2 PHE A 38 -1.077 10.665 -3.859 1.00 62.51 H new ATOM 0 HE1 PHE A 38 -5.894 10.988 -4.746 1.00 44.54 H new ATOM 0 HE2 PHE A 38 -2.499 11.947 -2.353 1.00 25.24 H new ATOM 0 HZ PHE A 38 -4.919 12.119 -2.783 1.00 45.43 H new ATOM 539 N ARG A 39 -1.636 12.197 -8.052 1.00 3.41 N ATOM 540 CA ARG A 39 -1.188 13.534 -8.032 1.00 15.31 C ATOM 541 C ARG A 39 -1.982 14.342 -7.059 1.00 11.43 C ATOM 542 O ARG A 39 -3.214 14.294 -7.058 1.00 62.43 O ATOM 543 CB ARG A 39 -1.160 14.179 -9.423 1.00 2.03 C ATOM 544 CG ARG A 39 -2.487 14.236 -10.138 1.00 12.23 C ATOM 545 CD ARG A 39 -2.368 15.025 -11.418 1.00 23.10 C ATOM 546 NE ARG A 39 -3.624 15.086 -12.164 1.00 33.33 N ATOM 547 CZ ARG A 39 -4.277 16.209 -12.474 1.00 24.52 C ATOM 548 NH1 ARG A 39 -3.951 17.356 -11.889 1.00 43.44 N ATOM 549 NH2 ARG A 39 -5.287 16.172 -13.334 1.00 40.32 N ATOM 0 H ARG A 39 -2.451 12.020 -8.640 1.00 3.41 H new ATOM 0 HA ARG A 39 -0.151 13.517 -7.696 1.00 15.31 H new ATOM 0 HB2 ARG A 39 -0.775 15.194 -9.326 1.00 2.03 H new ATOM 0 HB3 ARG A 39 -0.455 13.629 -10.046 1.00 2.03 H new ATOM 0 HG2 ARG A 39 -2.831 13.225 -10.358 1.00 12.23 H new ATOM 0 HG3 ARG A 39 -3.235 14.694 -9.491 1.00 12.23 H new ATOM 0 HD2 ARG A 39 -2.039 16.038 -11.186 1.00 23.10 H new ATOM 0 HD3 ARG A 39 -1.599 14.576 -12.046 1.00 23.10 H new ATOM 0 HE ARG A 39 -4.033 14.203 -12.471 1.00 33.33 H new ATOM 0 HH11 ARG A 39 -3.199 17.382 -11.200 1.00 43.44 H new ATOM 0 HH12 ARG A 39 -4.452 18.211 -12.129 1.00 43.44 H new ATOM 0 HH21 ARG A 39 -5.564 15.286 -13.758 1.00 40.32 H new ATOM 0 HH22 ARG A 39 -5.786 17.029 -13.571 1.00 40.32 H new ATOM 563 N LEU A 40 -1.289 15.042 -6.210 1.00 3.43 N ATOM 564 CA LEU A 40 -1.928 15.889 -5.250 1.00 64.23 C ATOM 565 C LEU A 40 -2.445 17.136 -5.939 1.00 74.12 C ATOM 566 O LEU A 40 -1.761 17.696 -6.802 1.00 15.23 O ATOM 567 CB LEU A 40 -0.972 16.271 -4.112 1.00 40.24 C ATOM 568 CG LEU A 40 -0.601 15.172 -3.116 1.00 13.25 C ATOM 569 CD1 LEU A 40 0.380 15.710 -2.095 1.00 0.44 C ATOM 570 CD2 LEU A 40 -1.842 14.655 -2.407 1.00 60.13 C ATOM 0 H LEU A 40 -0.270 15.041 -6.164 1.00 3.43 H new ATOM 0 HA LEU A 40 -2.761 15.340 -4.811 1.00 64.23 H new ATOM 0 HB2 LEU A 40 -0.052 16.650 -4.556 1.00 40.24 H new ATOM 0 HB3 LEU A 40 -1.420 17.094 -3.556 1.00 40.24 H new ATOM 0 HG LEU A 40 -0.140 14.350 -3.664 1.00 13.25 H new ATOM 0 HD11 LEU A 40 0.639 14.921 -1.389 1.00 0.44 H new ATOM 0 HD12 LEU A 40 1.281 16.054 -2.602 1.00 0.44 H new ATOM 0 HD13 LEU A 40 -0.074 16.543 -1.558 1.00 0.44 H new ATOM 0 HD21 LEU A 40 -1.559 13.873 -1.702 1.00 60.13 H new ATOM 0 HD22 LEU A 40 -2.321 15.473 -1.869 1.00 60.13 H new ATOM 0 HD23 LEU A 40 -2.537 14.247 -3.141 1.00 60.13 H new ATOM 582 N PRO A 41 -3.659 17.584 -5.608 1.00 31.41 N ATOM 583 CA PRO A 41 -4.235 18.807 -6.183 1.00 60.24 C ATOM 584 C PRO A 41 -3.610 20.066 -5.574 1.00 63.02 C ATOM 585 O PRO A 41 -3.861 21.181 -6.025 1.00 43.52 O ATOM 586 CB PRO A 41 -5.728 18.729 -5.806 1.00 62.03 C ATOM 587 CG PRO A 41 -5.933 17.359 -5.240 1.00 20.12 C ATOM 588 CD PRO A 41 -4.608 16.933 -4.688 1.00 33.12 C ATOM 0 HA PRO A 41 -4.060 18.871 -7.257 1.00 60.24 H new ATOM 0 HB2 PRO A 41 -5.988 19.496 -5.077 1.00 62.03 H new ATOM 0 HB3 PRO A 41 -6.361 18.891 -6.679 1.00 62.03 H new ATOM 0 HG2 PRO A 41 -6.694 17.370 -4.460 1.00 20.12 H new ATOM 0 HG3 PRO A 41 -6.275 16.667 -6.010 1.00 20.12 H new ATOM 0 HD2 PRO A 41 -4.470 17.266 -3.659 1.00 33.12 H new ATOM 0 HD3 PRO A 41 -4.497 15.849 -4.690 1.00 33.12 H new ATOM 596 N ASP A 42 -2.763 19.870 -4.587 1.00 53.43 N ATOM 597 CA ASP A 42 -2.146 20.959 -3.867 1.00 15.31 C ATOM 598 C ASP A 42 -0.896 21.431 -4.558 1.00 62.34 C ATOM 599 O ASP A 42 -0.570 20.986 -5.677 1.00 2.41 O ATOM 600 CB ASP A 42 -1.826 20.544 -2.433 1.00 61.53 C ATOM 601 CG ASP A 42 -3.053 20.404 -1.576 1.00 13.33 C ATOM 602 OD1 ASP A 42 -3.575 21.436 -1.083 1.00 22.53 O ATOM 603 OD2 ASP A 42 -3.507 19.272 -1.350 1.00 60.35 O ATOM 0 H ASP A 42 -2.483 18.945 -4.261 1.00 53.43 H new ATOM 0 HA ASP A 42 -2.857 21.785 -3.845 1.00 15.31 H new ATOM 0 HB2 ASP A 42 -1.288 19.596 -2.446 1.00 61.53 H new ATOM 0 HB3 ASP A 42 -1.160 21.282 -1.987 1.00 61.53 H new ATOM 608 N THR A 43 -0.196 22.327 -3.922 1.00 61.11 N ATOM 609 CA THR A 43 1.004 22.836 -4.459 1.00 2.04 C ATOM 610 C THR A 43 2.080 22.802 -3.370 1.00 12.34 C ATOM 611 O THR A 43 1.760 22.596 -2.190 1.00 34.13 O ATOM 612 CB THR A 43 0.796 24.257 -5.065 1.00 50.43 C ATOM 613 OG1 THR A 43 1.839 24.538 -6.008 1.00 74.32 O ATOM 614 CG2 THR A 43 0.768 25.344 -3.986 1.00 3.41 C ATOM 0 H THR A 43 -0.454 22.717 -3.015 1.00 61.11 H new ATOM 0 HA THR A 43 1.337 22.213 -5.289 1.00 2.04 H new ATOM 0 HB THR A 43 -0.172 24.264 -5.565 1.00 50.43 H new ATOM 0 HG1 THR A 43 1.449 24.915 -6.824 1.00 74.32 H new ATOM 0 HG21 THR A 43 0.621 26.317 -4.454 1.00 3.41 H new ATOM 0 HG22 THR A 43 -0.050 25.147 -3.293 1.00 3.41 H new ATOM 0 HG23 THR A 43 1.713 25.342 -3.443 1.00 3.41 H new ATOM 622 N GLY A 44 3.332 22.948 -3.763 1.00 32.21 N ATOM 623 CA GLY A 44 4.435 22.830 -2.829 1.00 64.31 C ATOM 624 C GLY A 44 5.064 21.467 -2.972 1.00 71.40 C ATOM 625 O GLY A 44 6.266 21.282 -2.769 1.00 50.13 O ATOM 0 H GLY A 44 3.610 23.149 -4.724 1.00 32.21 H new ATOM 0 HA2 GLY A 44 5.175 23.607 -3.022 1.00 64.31 H new ATOM 0 HA3 GLY A 44 4.080 22.974 -1.809 1.00 64.31 H new ATOM 629 N VAL A 45 4.231 20.531 -3.362 1.00 61.03 N ATOM 630 CA VAL A 45 4.606 19.160 -3.607 1.00 2.32 C ATOM 631 C VAL A 45 5.413 19.061 -4.931 1.00 62.20 C ATOM 632 O VAL A 45 5.159 19.803 -5.897 1.00 33.53 O ATOM 633 CB VAL A 45 3.326 18.246 -3.652 1.00 32.51 C ATOM 634 CG1 VAL A 45 2.351 18.710 -4.713 1.00 3.52 C ATOM 635 CG2 VAL A 45 3.689 16.781 -3.846 1.00 25.10 C ATOM 0 H VAL A 45 3.240 20.710 -3.523 1.00 61.03 H new ATOM 0 HA VAL A 45 5.241 18.810 -2.793 1.00 2.32 H new ATOM 0 HB VAL A 45 2.832 18.337 -2.684 1.00 32.51 H new ATOM 0 HG11 VAL A 45 1.479 18.056 -4.716 1.00 3.52 H new ATOM 0 HG12 VAL A 45 2.038 19.732 -4.498 1.00 3.52 H new ATOM 0 HG13 VAL A 45 2.833 18.677 -5.690 1.00 3.52 H new ATOM 0 HG21 VAL A 45 2.779 16.181 -3.872 1.00 25.10 H new ATOM 0 HG22 VAL A 45 4.230 16.661 -4.785 1.00 25.10 H new ATOM 0 HG23 VAL A 45 4.319 16.450 -3.020 1.00 25.10 H new ATOM 645 N SER A 46 6.395 18.191 -4.947 1.00 22.00 N ATOM 646 CA SER A 46 7.255 17.993 -6.093 1.00 10.01 C ATOM 647 C SER A 46 6.635 16.943 -7.058 1.00 54.34 C ATOM 648 O SER A 46 5.514 16.473 -6.821 1.00 62.14 O ATOM 649 CB SER A 46 8.610 17.539 -5.565 1.00 3.14 C ATOM 650 OG SER A 46 9.057 18.446 -4.549 1.00 23.42 O ATOM 0 H SER A 46 6.623 17.592 -4.154 1.00 22.00 H new ATOM 0 HA SER A 46 7.369 18.914 -6.664 1.00 10.01 H new ATOM 0 HB2 SER A 46 8.534 16.530 -5.159 1.00 3.14 H new ATOM 0 HB3 SER A 46 9.335 17.502 -6.378 1.00 3.14 H new ATOM 0 HG SER A 46 10.037 18.475 -4.544 1.00 23.42 H new ATOM 656 N ARG A 47 7.343 16.593 -8.144 1.00 33.24 N ATOM 657 CA ARG A 47 6.831 15.596 -9.100 1.00 24.44 C ATOM 658 C ARG A 47 6.769 14.225 -8.458 1.00 63.11 C ATOM 659 O ARG A 47 5.828 13.469 -8.664 1.00 1.14 O ATOM 660 CB ARG A 47 7.624 15.565 -10.429 1.00 64.03 C ATOM 661 CG ARG A 47 9.107 15.284 -10.288 1.00 14.02 C ATOM 662 CD ARG A 47 9.811 15.253 -11.625 1.00 2.15 C ATOM 663 NE ARG A 47 11.251 15.025 -11.465 1.00 62.05 N ATOM 664 CZ ARG A 47 12.016 14.320 -12.313 1.00 40.31 C ATOM 665 NH1 ARG A 47 11.486 13.774 -13.399 1.00 11.20 N ATOM 666 NH2 ARG A 47 13.313 14.179 -12.077 1.00 30.42 N ATOM 0 H ARG A 47 8.257 16.978 -8.380 1.00 33.24 H new ATOM 0 HA ARG A 47 5.819 15.903 -9.365 1.00 24.44 H new ATOM 0 HB2 ARG A 47 7.186 14.806 -11.077 1.00 64.03 H new ATOM 0 HB3 ARG A 47 7.498 16.524 -10.931 1.00 64.03 H new ATOM 0 HG2 ARG A 47 9.562 16.048 -9.657 1.00 14.02 H new ATOM 0 HG3 ARG A 47 9.248 14.328 -9.783 1.00 14.02 H new ATOM 0 HD2 ARG A 47 9.383 14.466 -12.245 1.00 2.15 H new ATOM 0 HD3 ARG A 47 9.646 16.195 -12.147 1.00 2.15 H new ATOM 0 HE ARG A 47 11.705 15.433 -10.648 1.00 62.05 H new ATOM 0 HH11 ARG A 47 10.491 13.889 -13.594 1.00 11.20 H new ATOM 0 HH12 ARG A 47 12.073 13.239 -14.039 1.00 11.20 H new ATOM 0 HH21 ARG A 47 13.730 14.607 -11.250 1.00 30.42 H new ATOM 0 HH22 ARG A 47 13.893 13.643 -12.722 1.00 30.42 H new ATOM 680 N ARG A 48 7.762 13.928 -7.675 1.00 70.42 N ATOM 681 CA ARG A 48 7.797 12.733 -6.906 1.00 42.54 C ATOM 682 C ARG A 48 8.060 13.153 -5.502 1.00 75.43 C ATOM 683 O ARG A 48 9.090 13.744 -5.221 1.00 43.01 O ATOM 684 CB ARG A 48 8.900 11.775 -7.367 1.00 44.20 C ATOM 685 CG ARG A 48 8.807 11.335 -8.817 1.00 42.22 C ATOM 686 CD ARG A 48 9.863 10.292 -9.144 1.00 74.22 C ATOM 687 NE ARG A 48 11.231 10.754 -8.845 1.00 32.40 N ATOM 688 CZ ARG A 48 12.349 10.076 -9.167 1.00 61.52 C ATOM 689 NH1 ARG A 48 12.266 8.949 -9.869 1.00 71.44 N ATOM 690 NH2 ARG A 48 13.538 10.528 -8.788 1.00 54.52 N ATOM 0 H ARG A 48 8.582 14.523 -7.555 1.00 70.42 H new ATOM 0 HA ARG A 48 6.855 12.196 -7.015 1.00 42.54 H new ATOM 0 HB2 ARG A 48 9.866 12.256 -7.211 1.00 44.20 H new ATOM 0 HB3 ARG A 48 8.879 10.889 -6.733 1.00 44.20 H new ATOM 0 HG2 ARG A 48 7.816 10.926 -9.013 1.00 42.22 H new ATOM 0 HG3 ARG A 48 8.931 12.199 -9.470 1.00 42.22 H new ATOM 0 HD2 ARG A 48 9.659 9.384 -8.577 1.00 74.22 H new ATOM 0 HD3 ARG A 48 9.795 10.031 -10.200 1.00 74.22 H new ATOM 0 HE ARG A 48 11.337 11.646 -8.362 1.00 32.40 H new ATOM 0 HH11 ARG A 48 11.355 8.598 -10.164 1.00 71.44 H new ATOM 0 HH12 ARG A 48 13.113 8.436 -10.112 1.00 71.44 H new ATOM 0 HH21 ARG A 48 13.607 11.392 -8.251 1.00 54.52 H new ATOM 0 HH22 ARG A 48 14.382 10.011 -9.034 1.00 54.52 H new ATOM 704 N HIS A 49 7.119 12.941 -4.658 1.00 54.44 N ATOM 705 CA HIS A 49 7.272 13.290 -3.273 1.00 52.13 C ATOM 706 C HIS A 49 7.521 12.043 -2.457 1.00 64.41 C ATOM 707 O HIS A 49 8.295 12.046 -1.509 1.00 63.43 O ATOM 708 CB HIS A 49 6.037 14.073 -2.741 1.00 40.41 C ATOM 709 CG HIS A 49 6.093 14.336 -1.260 1.00 71.11 C ATOM 710 ND1 HIS A 49 6.708 15.444 -0.751 1.00 21.01 N ATOM 711 CD2 HIS A 49 5.699 13.540 -0.238 1.00 74.50 C ATOM 712 CE1 HIS A 49 6.690 15.280 0.560 1.00 61.12 C ATOM 713 NE2 HIS A 49 6.092 14.148 0.910 1.00 65.22 N ATOM 0 H HIS A 49 6.219 12.523 -4.895 1.00 54.44 H new ATOM 0 HA HIS A 49 8.133 13.952 -3.177 1.00 52.13 H new ATOM 0 HB2 HIS A 49 5.963 15.023 -3.269 1.00 40.41 H new ATOM 0 HB3 HIS A 49 5.132 13.510 -2.969 1.00 40.41 H new ATOM 0 HD2 HIS A 49 5.173 12.601 -0.321 1.00 74.50 H new ATOM 0 HE1 HIS A 49 7.112 15.983 1.263 1.00 61.12 H new ATOM 0 HE2 HIS A 49 5.954 13.802 1.859 1.00 65.22 H new ATOM 721 N LEU A 50 6.867 10.980 -2.823 1.00 64.33 N ATOM 722 CA LEU A 50 6.973 9.769 -2.076 1.00 11.31 C ATOM 723 C LEU A 50 6.527 8.607 -2.921 1.00 55.14 C ATOM 724 O LEU A 50 5.636 8.752 -3.773 1.00 3.10 O ATOM 725 CB LEU A 50 6.156 9.930 -0.764 1.00 52.15 C ATOM 726 CG LEU A 50 6.036 8.746 0.192 1.00 14.32 C ATOM 727 CD1 LEU A 50 5.783 9.273 1.588 1.00 21.33 C ATOM 728 CD2 LEU A 50 4.861 7.863 -0.210 1.00 4.43 C ATOM 0 H LEU A 50 6.254 10.931 -3.637 1.00 64.33 H new ATOM 0 HA LEU A 50 8.006 9.562 -1.798 1.00 11.31 H new ATOM 0 HB2 LEU A 50 6.592 10.758 -0.206 1.00 52.15 H new ATOM 0 HB3 LEU A 50 5.146 10.230 -1.042 1.00 52.15 H new ATOM 0 HG LEU A 50 6.956 8.163 0.157 1.00 14.32 H new ATOM 0 HD11 LEU A 50 5.695 8.437 2.282 1.00 21.33 H new ATOM 0 HD12 LEU A 50 6.613 9.911 1.892 1.00 21.33 H new ATOM 0 HD13 LEU A 50 4.859 9.851 1.597 1.00 21.33 H new ATOM 0 HD21 LEU A 50 4.785 7.022 0.479 1.00 4.43 H new ATOM 0 HD22 LEU A 50 3.940 8.445 -0.175 1.00 4.43 H new ATOM 0 HD23 LEU A 50 5.016 7.490 -1.222 1.00 4.43 H new ATOM 740 N GLU A 51 7.157 7.487 -2.721 1.00 72.02 N ATOM 741 CA GLU A 51 6.849 6.291 -3.440 1.00 73.12 C ATOM 742 C GLU A 51 6.695 5.131 -2.483 1.00 20.11 C ATOM 743 O GLU A 51 7.407 5.024 -1.483 1.00 52.43 O ATOM 744 CB GLU A 51 7.909 6.001 -4.503 1.00 42.41 C ATOM 745 CG GLU A 51 9.340 6.038 -3.987 1.00 34.43 C ATOM 746 CD GLU A 51 10.343 5.748 -5.066 1.00 25.13 C ATOM 747 OE1 GLU A 51 10.391 6.494 -6.062 1.00 22.14 O ATOM 748 OE2 GLU A 51 11.116 4.765 -4.939 1.00 40.23 O ATOM 0 H GLU A 51 7.911 7.380 -2.042 1.00 72.02 H new ATOM 0 HA GLU A 51 5.901 6.432 -3.958 1.00 73.12 H new ATOM 0 HB2 GLU A 51 7.716 5.018 -4.933 1.00 42.41 H new ATOM 0 HB3 GLU A 51 7.807 6.728 -5.309 1.00 42.41 H new ATOM 0 HG2 GLU A 51 9.544 7.019 -3.559 1.00 34.43 H new ATOM 0 HG3 GLU A 51 9.453 5.310 -3.184 1.00 34.43 H new ATOM 755 N ILE A 52 5.732 4.315 -2.751 1.00 5.30 N ATOM 756 CA ILE A 52 5.482 3.149 -1.961 1.00 73.44 C ATOM 757 C ILE A 52 5.558 1.927 -2.840 1.00 65.31 C ATOM 758 O ILE A 52 4.762 1.784 -3.762 1.00 51.32 O ATOM 759 CB ILE A 52 4.081 3.193 -1.307 1.00 11.13 C ATOM 760 CG1 ILE A 52 3.949 4.404 -0.377 1.00 33.54 C ATOM 761 CG2 ILE A 52 3.830 1.898 -0.550 1.00 22.05 C ATOM 762 CD1 ILE A 52 2.564 4.598 0.209 1.00 43.21 C ATOM 0 H ILE A 52 5.087 4.437 -3.532 1.00 5.30 H new ATOM 0 HA ILE A 52 6.234 3.113 -1.173 1.00 73.44 H new ATOM 0 HB ILE A 52 3.329 3.296 -2.090 1.00 11.13 H new ATOM 0 HG12 ILE A 52 4.664 4.299 0.439 1.00 33.54 H new ATOM 0 HG13 ILE A 52 4.225 5.302 -0.929 1.00 33.54 H new ATOM 0 HG21 ILE A 52 2.842 1.931 -0.090 1.00 22.05 H new ATOM 0 HG22 ILE A 52 3.880 1.057 -1.241 1.00 22.05 H new ATOM 0 HG23 ILE A 52 4.587 1.777 0.225 1.00 22.05 H new ATOM 0 HD11 ILE A 52 2.562 5.477 0.854 1.00 43.21 H new ATOM 0 HD12 ILE A 52 1.844 4.738 -0.597 1.00 43.21 H new ATOM 0 HD13 ILE A 52 2.289 3.719 0.792 1.00 43.21 H new ATOM 774 N ARG A 53 6.494 1.059 -2.577 1.00 1.11 N ATOM 775 CA ARG A 53 6.588 -0.167 -3.332 1.00 3.31 C ATOM 776 C ARG A 53 5.781 -1.216 -2.610 1.00 62.43 C ATOM 777 O ARG A 53 6.166 -1.685 -1.521 1.00 25.31 O ATOM 778 CB ARG A 53 8.034 -0.630 -3.518 1.00 63.02 C ATOM 779 CG ARG A 53 8.945 0.409 -4.150 1.00 31.21 C ATOM 780 CD ARG A 53 10.291 -0.191 -4.520 1.00 13.33 C ATOM 781 NE ARG A 53 10.168 -1.206 -5.581 1.00 60.20 N ATOM 782 CZ ARG A 53 10.498 -2.510 -5.470 1.00 4.31 C ATOM 783 NH1 ARG A 53 10.999 -2.989 -4.326 1.00 60.42 N ATOM 784 NH2 ARG A 53 10.344 -3.320 -6.509 1.00 61.44 N ATOM 0 H ARG A 53 7.201 1.173 -1.851 1.00 1.11 H new ATOM 0 HA ARG A 53 6.195 0.002 -4.335 1.00 3.31 H new ATOM 0 HB2 ARG A 53 8.441 -0.911 -2.547 1.00 63.02 H new ATOM 0 HB3 ARG A 53 8.040 -1.527 -4.138 1.00 63.02 H new ATOM 0 HG2 ARG A 53 8.470 0.819 -5.041 1.00 31.21 H new ATOM 0 HG3 ARG A 53 9.092 1.237 -3.457 1.00 31.21 H new ATOM 0 HD2 ARG A 53 10.963 0.601 -4.852 1.00 13.33 H new ATOM 0 HD3 ARG A 53 10.742 -0.642 -3.636 1.00 13.33 H new ATOM 0 HE ARG A 53 9.800 -0.895 -6.480 1.00 60.20 H new ATOM 0 HH11 ARG A 53 11.134 -2.367 -3.529 1.00 60.42 H new ATOM 0 HH12 ARG A 53 11.246 -3.976 -4.251 1.00 60.42 H new ATOM 0 HH21 ARG A 53 9.977 -2.957 -7.389 1.00 61.44 H new ATOM 0 HH22 ARG A 53 10.593 -4.306 -6.428 1.00 61.44 H new ATOM 798 N TRP A 54 4.667 -1.554 -3.175 1.00 60.44 N ATOM 799 CA TRP A 54 3.751 -2.456 -2.557 1.00 32.11 C ATOM 800 C TRP A 54 3.897 -3.878 -3.062 1.00 4.45 C ATOM 801 O TRP A 54 3.617 -4.200 -4.240 1.00 21.44 O ATOM 802 CB TRP A 54 2.291 -1.950 -2.663 1.00 63.50 C ATOM 803 CG TRP A 54 1.245 -2.948 -2.196 1.00 13.13 C ATOM 804 CD1 TRP A 54 0.229 -3.471 -2.941 1.00 21.15 C ATOM 805 CD2 TRP A 54 1.142 -3.569 -0.901 1.00 65.42 C ATOM 806 NE1 TRP A 54 -0.500 -4.360 -2.195 1.00 74.01 N ATOM 807 CE2 TRP A 54 0.039 -4.443 -0.943 1.00 61.44 C ATOM 808 CE3 TRP A 54 1.871 -3.470 0.279 1.00 25.55 C ATOM 809 CZ2 TRP A 54 -0.347 -5.212 0.155 1.00 70.12 C ATOM 810 CZ3 TRP A 54 1.491 -4.229 1.368 1.00 71.20 C ATOM 811 CH2 TRP A 54 0.392 -5.092 1.301 1.00 43.32 C ATOM 0 H TRP A 54 4.365 -1.209 -4.086 1.00 60.44 H new ATOM 0 HA TRP A 54 4.010 -2.483 -1.499 1.00 32.11 H new ATOM 0 HB2 TRP A 54 2.192 -1.037 -2.076 1.00 63.50 H new ATOM 0 HB3 TRP A 54 2.085 -1.685 -3.700 1.00 63.50 H new ATOM 0 HD1 TRP A 54 0.028 -3.220 -3.972 1.00 21.15 H new ATOM 0 HE1 TRP A 54 -1.316 -4.877 -2.523 1.00 74.01 H new ATOM 0 HE3 TRP A 54 2.722 -2.809 0.343 1.00 25.55 H new ATOM 0 HZ2 TRP A 54 -1.197 -5.877 0.103 1.00 70.12 H new ATOM 0 HZ3 TRP A 54 2.052 -4.155 2.288 1.00 71.20 H new ATOM 0 HH2 TRP A 54 0.122 -5.674 2.169 1.00 43.32 H new ATOM 822 N ASP A 55 4.337 -4.705 -2.163 1.00 42.44 N ATOM 823 CA ASP A 55 4.441 -6.117 -2.353 1.00 63.22 C ATOM 824 C ASP A 55 3.663 -6.742 -1.247 1.00 75.53 C ATOM 825 O ASP A 55 3.565 -6.149 -0.166 1.00 11.45 O ATOM 826 CB ASP A 55 5.897 -6.599 -2.334 1.00 32.33 C ATOM 827 CG ASP A 55 6.662 -6.202 -3.574 1.00 14.53 C ATOM 828 OD1 ASP A 55 6.637 -6.953 -4.556 1.00 72.51 O ATOM 829 OD2 ASP A 55 7.320 -5.131 -3.588 1.00 50.54 O ATOM 0 H ASP A 55 4.646 -4.400 -1.240 1.00 42.44 H new ATOM 0 HA ASP A 55 4.051 -6.398 -3.331 1.00 63.22 H new ATOM 0 HB2 ASP A 55 6.399 -6.190 -1.457 1.00 32.33 H new ATOM 0 HB3 ASP A 55 5.914 -7.684 -2.234 1.00 32.33 H new ATOM 834 N GLY A 56 3.109 -7.901 -1.487 1.00 40.51 N ATOM 835 CA GLY A 56 2.238 -8.554 -0.520 1.00 64.43 C ATOM 836 C GLY A 56 2.965 -9.078 0.704 1.00 14.13 C ATOM 837 O GLY A 56 3.202 -10.286 0.827 1.00 3.30 O ATOM 0 H GLY A 56 3.242 -8.425 -2.352 1.00 40.51 H new ATOM 0 HA2 GLY A 56 1.471 -7.848 -0.201 1.00 64.43 H new ATOM 0 HA3 GLY A 56 1.725 -9.382 -1.009 1.00 64.43 H new ATOM 841 N GLN A 57 3.322 -8.180 1.588 1.00 72.23 N ATOM 842 CA GLN A 57 4.005 -8.497 2.817 1.00 24.21 C ATOM 843 C GLN A 57 3.934 -7.263 3.700 1.00 51.23 C ATOM 844 O GLN A 57 3.222 -7.231 4.696 1.00 12.54 O ATOM 845 CB GLN A 57 5.467 -8.848 2.516 1.00 53.22 C ATOM 846 CG GLN A 57 6.243 -9.401 3.688 1.00 72.31 C ATOM 847 CD GLN A 57 7.666 -9.701 3.309 1.00 3.11 C ATOM 848 OE1 GLN A 57 7.976 -10.790 2.832 1.00 20.32 O ATOM 849 NE2 GLN A 57 8.547 -8.775 3.547 1.00 15.14 N ATOM 0 H GLN A 57 3.141 -7.183 1.470 1.00 72.23 H new ATOM 0 HA GLN A 57 3.545 -9.351 3.314 1.00 24.21 H new ATOM 0 HB2 GLN A 57 5.491 -9.578 1.706 1.00 53.22 H new ATOM 0 HB3 GLN A 57 5.973 -7.953 2.154 1.00 53.22 H new ATOM 0 HG2 GLN A 57 6.227 -8.684 4.509 1.00 72.31 H new ATOM 0 HG3 GLN A 57 5.761 -10.310 4.049 1.00 72.31 H new ATOM 0 HE21 GLN A 57 8.254 -7.882 3.944 1.00 15.14 H new ATOM 0 HE22 GLN A 57 9.531 -8.941 3.337 1.00 15.14 H new ATOM 858 N VAL A 58 4.636 -6.233 3.272 1.00 73.25 N ATOM 859 CA VAL A 58 4.674 -4.943 3.923 1.00 35.52 C ATOM 860 C VAL A 58 4.885 -3.923 2.836 1.00 10.40 C ATOM 861 O VAL A 58 5.484 -4.247 1.790 1.00 24.32 O ATOM 862 CB VAL A 58 5.816 -4.793 5.008 1.00 0.45 C ATOM 863 CG1 VAL A 58 5.589 -5.698 6.211 1.00 35.31 C ATOM 864 CG2 VAL A 58 7.198 -5.045 4.413 1.00 45.53 C ATOM 0 H VAL A 58 5.214 -6.275 2.433 1.00 73.25 H new ATOM 0 HA VAL A 58 3.739 -4.809 4.467 1.00 35.52 H new ATOM 0 HB VAL A 58 5.774 -3.760 5.353 1.00 0.45 H new ATOM 0 HG11 VAL A 58 6.398 -5.560 6.928 1.00 35.31 H new ATOM 0 HG12 VAL A 58 4.639 -5.445 6.682 1.00 35.31 H new ATOM 0 HG13 VAL A 58 5.567 -6.738 5.885 1.00 35.31 H new ATOM 0 HG21 VAL A 58 7.955 -4.932 5.190 1.00 45.53 H new ATOM 0 HG22 VAL A 58 7.241 -6.056 4.008 1.00 45.53 H new ATOM 0 HG23 VAL A 58 7.387 -4.327 3.615 1.00 45.53 H new ATOM 874 N ALA A 59 4.401 -2.739 3.028 1.00 33.11 N ATOM 875 CA ALA A 59 4.557 -1.724 2.028 1.00 44.35 C ATOM 876 C ALA A 59 5.821 -0.946 2.282 1.00 22.42 C ATOM 877 O ALA A 59 6.046 -0.445 3.395 1.00 54.20 O ATOM 878 CB ALA A 59 3.351 -0.818 1.978 1.00 74.41 C ATOM 0 H ALA A 59 3.895 -2.448 3.864 1.00 33.11 H new ATOM 0 HA ALA A 59 4.637 -2.203 1.052 1.00 44.35 H new ATOM 0 HB1 ALA A 59 3.498 -0.058 1.210 1.00 74.41 H new ATOM 0 HB2 ALA A 59 2.464 -1.406 1.741 1.00 74.41 H new ATOM 0 HB3 ALA A 59 3.219 -0.335 2.946 1.00 74.41 H new ATOM 884 N LEU A 60 6.641 -0.870 1.277 1.00 45.41 N ATOM 885 CA LEU A 60 7.904 -0.188 1.360 1.00 32.12 C ATOM 886 C LEU A 60 7.657 1.293 1.131 1.00 53.12 C ATOM 887 O LEU A 60 7.334 1.713 0.022 1.00 51.44 O ATOM 888 CB LEU A 60 8.849 -0.792 0.301 1.00 44.32 C ATOM 889 CG LEU A 60 10.348 -0.423 0.311 1.00 70.20 C ATOM 890 CD1 LEU A 60 11.072 -1.342 -0.644 1.00 65.40 C ATOM 891 CD2 LEU A 60 10.593 1.020 -0.118 1.00 33.44 C ATOM 0 H LEU A 60 6.452 -1.284 0.364 1.00 45.41 H new ATOM 0 HA LEU A 60 8.372 -0.307 2.337 1.00 32.12 H new ATOM 0 HB2 LEU A 60 8.781 -1.877 0.385 1.00 44.32 H new ATOM 0 HB3 LEU A 60 8.454 -0.522 -0.679 1.00 44.32 H new ATOM 0 HG LEU A 60 10.715 -0.532 1.331 1.00 70.20 H new ATOM 0 HD11 LEU A 60 12.134 -1.096 -0.651 1.00 65.40 H new ATOM 0 HD12 LEU A 60 10.941 -2.376 -0.324 1.00 65.40 H new ATOM 0 HD13 LEU A 60 10.665 -1.218 -1.647 1.00 65.40 H new ATOM 0 HD21 LEU A 60 11.662 1.230 -0.094 1.00 33.44 H new ATOM 0 HD22 LEU A 60 10.217 1.168 -1.130 1.00 33.44 H new ATOM 0 HD23 LEU A 60 10.075 1.695 0.564 1.00 33.44 H new ATOM 903 N LEU A 61 7.760 2.046 2.180 1.00 21.44 N ATOM 904 CA LEU A 61 7.542 3.467 2.156 1.00 30.33 C ATOM 905 C LEU A 61 8.880 4.146 1.954 1.00 24.20 C ATOM 906 O LEU A 61 9.806 3.944 2.745 1.00 12.33 O ATOM 907 CB LEU A 61 6.880 3.873 3.514 1.00 13.23 C ATOM 908 CG LEU A 61 6.430 5.343 3.778 1.00 10.10 C ATOM 909 CD1 LEU A 61 7.583 6.343 3.846 1.00 74.31 C ATOM 910 CD2 LEU A 61 5.399 5.769 2.762 1.00 11.10 C ATOM 0 H LEU A 61 8.004 1.686 3.102 1.00 21.44 H new ATOM 0 HA LEU A 61 6.881 3.770 1.344 1.00 30.33 H new ATOM 0 HB2 LEU A 61 6.001 3.242 3.643 1.00 13.23 H new ATOM 0 HB3 LEU A 61 7.582 3.607 4.304 1.00 13.23 H new ATOM 0 HG LEU A 61 5.982 5.350 4.772 1.00 10.10 H new ATOM 0 HD11 LEU A 61 7.188 7.342 4.032 1.00 74.31 H new ATOM 0 HD12 LEU A 61 8.259 6.064 4.654 1.00 74.31 H new ATOM 0 HD13 LEU A 61 8.125 6.338 2.901 1.00 74.31 H new ATOM 0 HD21 LEU A 61 5.096 6.797 2.960 1.00 11.10 H new ATOM 0 HD22 LEU A 61 5.826 5.703 1.761 1.00 11.10 H new ATOM 0 HD23 LEU A 61 4.530 5.115 2.829 1.00 11.10 H new ATOM 922 N ALA A 62 8.994 4.909 0.897 1.00 52.25 N ATOM 923 CA ALA A 62 10.188 5.663 0.633 1.00 62.01 C ATOM 924 C ALA A 62 9.838 7.116 0.333 1.00 73.33 C ATOM 925 O ALA A 62 9.081 7.415 -0.601 1.00 74.33 O ATOM 926 CB ALA A 62 10.977 5.046 -0.516 1.00 11.05 C ATOM 0 H ALA A 62 8.261 5.024 0.197 1.00 52.25 H new ATOM 0 HA ALA A 62 10.818 5.636 1.522 1.00 62.01 H new ATOM 0 HB1 ALA A 62 11.876 5.634 -0.697 1.00 11.05 H new ATOM 0 HB2 ALA A 62 11.257 4.025 -0.258 1.00 11.05 H new ATOM 0 HB3 ALA A 62 10.362 5.037 -1.416 1.00 11.05 H new ATOM 932 N ASP A 63 10.352 7.998 1.148 1.00 75.13 N ATOM 933 CA ASP A 63 10.167 9.432 0.976 1.00 53.53 C ATOM 934 C ASP A 63 11.102 9.917 -0.102 1.00 40.33 C ATOM 935 O ASP A 63 12.279 9.541 -0.120 1.00 35.22 O ATOM 936 CB ASP A 63 10.453 10.161 2.292 1.00 35.45 C ATOM 937 CG ASP A 63 10.534 11.670 2.146 1.00 24.31 C ATOM 938 OD1 ASP A 63 9.492 12.326 2.022 1.00 31.44 O ATOM 939 OD2 ASP A 63 11.656 12.212 2.201 1.00 71.02 O ATOM 0 H ASP A 63 10.917 7.749 1.960 1.00 75.13 H new ATOM 0 HA ASP A 63 9.137 9.638 0.687 1.00 53.53 H new ATOM 0 HB2 ASP A 63 9.671 9.915 3.011 1.00 35.45 H new ATOM 0 HB3 ASP A 63 11.393 9.793 2.705 1.00 35.45 H new ATOM 944 N LEU A 64 10.611 10.721 -0.993 1.00 70.44 N ATOM 945 CA LEU A 64 11.408 11.197 -2.091 1.00 70.01 C ATOM 946 C LEU A 64 11.344 12.731 -2.075 1.00 25.10 C ATOM 947 O LEU A 64 10.613 13.342 -2.865 1.00 53.10 O ATOM 948 CB LEU A 64 10.788 10.627 -3.410 1.00 72.02 C ATOM 949 CG LEU A 64 11.630 10.560 -4.717 1.00 62.45 C ATOM 950 CD1 LEU A 64 12.193 11.903 -5.155 1.00 22.13 C ATOM 951 CD2 LEU A 64 12.718 9.510 -4.621 1.00 74.32 C ATOM 0 H LEU A 64 9.652 11.067 -0.984 1.00 70.44 H new ATOM 0 HA LEU A 64 12.448 10.879 -2.019 1.00 70.01 H new ATOM 0 HB2 LEU A 64 10.449 9.614 -3.194 1.00 72.02 H new ATOM 0 HB3 LEU A 64 9.900 11.220 -3.630 1.00 72.02 H new ATOM 0 HG LEU A 64 10.933 10.263 -5.501 1.00 62.45 H new ATOM 0 HD11 LEU A 64 12.767 11.775 -6.072 1.00 22.13 H new ATOM 0 HD12 LEU A 64 11.374 12.600 -5.334 1.00 22.13 H new ATOM 0 HD13 LEU A 64 12.842 12.298 -4.373 1.00 22.13 H new ATOM 0 HD21 LEU A 64 13.287 9.490 -5.550 1.00 74.32 H new ATOM 0 HD22 LEU A 64 13.384 9.751 -3.793 1.00 74.32 H new ATOM 0 HD23 LEU A 64 12.266 8.533 -4.451 1.00 74.32 H new ATOM 963 N ASN A 65 12.083 13.358 -1.181 1.00 30.31 N ATOM 964 CA ASN A 65 12.085 14.801 -1.117 1.00 33.33 C ATOM 965 C ASN A 65 13.173 15.274 -0.181 1.00 73.25 C ATOM 966 O ASN A 65 13.711 14.495 0.613 1.00 63.03 O ATOM 967 CB ASN A 65 10.730 15.352 -0.633 1.00 43.32 C ATOM 968 CG ASN A 65 10.483 16.744 -1.168 1.00 2.13 C ATOM 969 OD1 ASN A 65 10.902 17.745 -0.579 1.00 13.14 O ATOM 970 ND2 ASN A 65 9.796 16.815 -2.273 1.00 12.42 N ATOM 0 H ASN A 65 12.682 12.895 -0.498 1.00 30.31 H new ATOM 0 HA ASN A 65 12.267 15.173 -2.125 1.00 33.33 H new ATOM 0 HB2 ASN A 65 9.928 14.688 -0.956 1.00 43.32 H new ATOM 0 HB3 ASN A 65 10.710 15.370 0.457 1.00 43.32 H new ATOM 0 HD21 ASN A 65 9.585 17.724 -2.685 1.00 12.42 H new ATOM 0 HD22 ASN A 65 9.469 15.962 -2.726 1.00 12.42 H new ATOM 977 N SER A 66 13.506 16.530 -0.274 1.00 34.22 N ATOM 978 CA SER A 66 14.507 17.105 0.556 1.00 73.14 C ATOM 979 C SER A 66 13.894 18.049 1.611 1.00 14.13 C ATOM 980 O SER A 66 14.058 17.850 2.799 1.00 41.31 O ATOM 981 CB SER A 66 15.483 17.842 -0.356 1.00 41.12 C ATOM 982 OG SER A 66 14.760 18.616 -1.319 1.00 10.01 O ATOM 0 H SER A 66 13.083 17.182 -0.935 1.00 34.22 H new ATOM 0 HA SER A 66 15.027 16.328 1.116 1.00 73.14 H new ATOM 0 HB2 SER A 66 16.127 18.492 0.236 1.00 41.12 H new ATOM 0 HB3 SER A 66 16.131 17.127 -0.863 1.00 41.12 H new ATOM 0 HG SER A 66 15.392 19.088 -1.900 1.00 10.01 H new ATOM 988 N THR A 67 13.129 19.012 1.171 1.00 32.25 N ATOM 989 CA THR A 67 12.578 20.015 2.070 1.00 43.21 C ATOM 990 C THR A 67 11.203 19.604 2.644 1.00 10.52 C ATOM 991 O THR A 67 10.801 20.041 3.726 1.00 52.45 O ATOM 992 CB THR A 67 12.530 21.408 1.362 1.00 21.11 C ATOM 993 OG1 THR A 67 11.933 22.417 2.191 1.00 2.21 O ATOM 994 CG2 THR A 67 11.807 21.324 0.036 1.00 31.14 C ATOM 0 H THR A 67 12.867 19.131 0.192 1.00 32.25 H new ATOM 0 HA THR A 67 13.244 20.094 2.929 1.00 43.21 H new ATOM 0 HB THR A 67 13.564 21.700 1.178 1.00 21.11 H new ATOM 0 HG1 THR A 67 11.924 23.272 1.711 1.00 2.21 H new ATOM 0 HG21 THR A 67 11.790 22.308 -0.432 1.00 31.14 H new ATOM 0 HG22 THR A 67 12.324 20.621 -0.617 1.00 31.14 H new ATOM 0 HG23 THR A 67 10.785 20.983 0.200 1.00 31.14 H new ATOM 1002 N ASN A 68 10.506 18.746 1.948 1.00 5.30 N ATOM 1003 CA ASN A 68 9.167 18.324 2.369 1.00 33.43 C ATOM 1004 C ASN A 68 9.218 16.913 2.933 1.00 11.13 C ATOM 1005 O ASN A 68 8.191 16.239 3.002 1.00 1.22 O ATOM 1006 CB ASN A 68 8.169 18.369 1.180 1.00 44.55 C ATOM 1007 CG ASN A 68 7.903 19.759 0.600 1.00 2.11 C ATOM 1008 OD1 ASN A 68 8.742 20.653 0.644 1.00 62.31 O ATOM 1009 ND2 ASN A 68 6.748 19.935 0.018 1.00 11.54 N ATOM 0 H ASN A 68 10.831 18.316 1.082 1.00 5.30 H new ATOM 0 HA ASN A 68 8.823 19.014 3.139 1.00 33.43 H new ATOM 0 HB2 ASN A 68 8.549 17.728 0.384 1.00 44.55 H new ATOM 0 HB3 ASN A 68 7.221 17.943 1.507 1.00 44.55 H new ATOM 0 HD21 ASN A 68 6.526 20.832 -0.414 1.00 11.54 H new ATOM 0 HD22 ASN A 68 6.068 19.176 -0.005 1.00 11.54 H new ATOM 1016 N GLY A 69 10.422 16.515 3.386 1.00 63.01 N ATOM 1017 CA GLY A 69 10.699 15.161 3.889 1.00 21.41 C ATOM 1018 C GLY A 69 9.643 14.615 4.834 1.00 70.21 C ATOM 1019 O GLY A 69 9.386 15.182 5.898 1.00 73.02 O ATOM 0 H GLY A 69 11.235 17.131 3.412 1.00 63.01 H new ATOM 0 HA2 GLY A 69 10.795 14.484 3.040 1.00 21.41 H new ATOM 0 HA3 GLY A 69 11.661 15.167 4.402 1.00 21.41 H new ATOM 1023 N THR A 70 9.049 13.537 4.429 1.00 40.23 N ATOM 1024 CA THR A 70 7.971 12.880 5.125 1.00 65.54 C ATOM 1025 C THR A 70 8.396 12.290 6.502 1.00 12.23 C ATOM 1026 O THR A 70 9.483 11.722 6.653 1.00 55.24 O ATOM 1027 CB THR A 70 7.418 11.786 4.208 1.00 64.21 C ATOM 1028 OG1 THR A 70 7.064 12.376 2.937 1.00 10.33 O ATOM 1029 CG2 THR A 70 6.216 11.117 4.803 1.00 62.21 C ATOM 0 H THR A 70 9.310 13.063 3.564 1.00 40.23 H new ATOM 0 HA THR A 70 7.205 13.621 5.354 1.00 65.54 H new ATOM 0 HB THR A 70 8.188 11.026 4.077 1.00 64.21 H new ATOM 0 HG1 THR A 70 7.811 12.277 2.311 1.00 10.33 H new ATOM 0 HG21 THR A 70 5.854 10.347 4.122 1.00 62.21 H new ATOM 0 HG22 THR A 70 6.488 10.661 5.755 1.00 62.21 H new ATOM 0 HG23 THR A 70 5.431 11.856 4.966 1.00 62.21 H new ATOM 1037 N THR A 71 7.530 12.461 7.482 1.00 35.21 N ATOM 1038 CA THR A 71 7.735 11.999 8.835 1.00 50.42 C ATOM 1039 C THR A 71 6.812 10.760 9.071 1.00 52.33 C ATOM 1040 O THR A 71 5.680 10.750 8.616 1.00 51.10 O ATOM 1041 CB THR A 71 7.270 13.132 9.781 1.00 4.01 C ATOM 1042 OG1 THR A 71 7.393 14.405 9.121 1.00 71.33 O ATOM 1043 CG2 THR A 71 8.114 13.188 11.019 1.00 30.35 C ATOM 0 H THR A 71 6.639 12.940 7.351 1.00 35.21 H new ATOM 0 HA THR A 71 8.778 11.737 9.011 1.00 50.42 H new ATOM 0 HB THR A 71 6.234 12.925 10.048 1.00 4.01 H new ATOM 0 HG1 THR A 71 8.119 14.919 9.534 1.00 71.33 H new ATOM 0 HG21 THR A 71 7.762 13.994 11.663 1.00 30.35 H new ATOM 0 HG22 THR A 71 8.042 12.240 11.552 1.00 30.35 H new ATOM 0 HG23 THR A 71 9.153 13.371 10.743 1.00 30.35 H new ATOM 1051 N VAL A 72 7.275 9.742 9.776 1.00 44.02 N ATOM 1052 CA VAL A 72 6.433 8.560 10.051 1.00 1.10 C ATOM 1053 C VAL A 72 6.160 8.444 11.548 1.00 70.44 C ATOM 1054 O VAL A 72 7.080 8.401 12.357 1.00 42.23 O ATOM 1055 CB VAL A 72 7.028 7.222 9.495 1.00 70.10 C ATOM 1056 CG1 VAL A 72 7.153 7.284 7.982 1.00 53.33 C ATOM 1057 CG2 VAL A 72 8.377 6.920 10.125 1.00 74.22 C ATOM 0 H VAL A 72 8.215 9.697 10.170 1.00 44.02 H new ATOM 0 HA VAL A 72 5.496 8.718 9.517 1.00 1.10 H new ATOM 0 HB VAL A 72 6.344 6.415 9.757 1.00 70.10 H new ATOM 0 HG11 VAL A 72 7.568 6.346 7.612 1.00 53.33 H new ATOM 0 HG12 VAL A 72 6.169 7.444 7.542 1.00 53.33 H new ATOM 0 HG13 VAL A 72 7.812 8.107 7.705 1.00 53.33 H new ATOM 0 HG21 VAL A 72 8.766 5.986 9.721 1.00 74.22 H new ATOM 0 HG22 VAL A 72 9.072 7.730 9.902 1.00 74.22 H new ATOM 0 HG23 VAL A 72 8.262 6.828 11.205 1.00 74.22 H new ATOM 1067 N ASN A 73 4.885 8.463 11.913 1.00 24.44 N ATOM 1068 CA ASN A 73 4.420 8.408 13.317 1.00 53.11 C ATOM 1069 C ASN A 73 4.982 9.572 14.111 1.00 72.14 C ATOM 1070 O ASN A 73 5.071 9.532 15.347 1.00 33.01 O ATOM 1071 CB ASN A 73 4.740 7.060 13.993 1.00 61.22 C ATOM 1072 CG ASN A 73 4.035 5.895 13.323 1.00 63.35 C ATOM 1073 OD1 ASN A 73 2.880 5.604 13.619 1.00 10.24 O ATOM 1074 ND2 ASN A 73 4.723 5.206 12.451 1.00 13.34 N ATOM 0 H ASN A 73 4.121 8.518 11.239 1.00 24.44 H new ATOM 0 HA ASN A 73 3.333 8.493 13.301 1.00 53.11 H new ATOM 0 HB2 ASN A 73 5.817 6.892 13.970 1.00 61.22 H new ATOM 0 HB3 ASN A 73 4.447 7.104 15.042 1.00 61.22 H new ATOM 0 HD21 ASN A 73 4.302 4.398 11.993 1.00 13.34 H new ATOM 0 HD22 ASN A 73 5.681 5.476 12.229 1.00 13.34 H new ATOM 1081 N ASN A 74 5.276 10.635 13.363 1.00 40.40 N ATOM 1082 CA ASN A 74 5.847 11.889 13.842 1.00 61.34 C ATOM 1083 C ASN A 74 7.352 11.788 14.107 1.00 62.01 C ATOM 1084 O ASN A 74 7.924 12.617 14.793 1.00 40.50 O ATOM 1085 CB ASN A 74 5.081 12.500 15.038 1.00 43.55 C ATOM 1086 CG ASN A 74 3.654 12.880 14.675 1.00 45.30 C ATOM 1087 OD1 ASN A 74 3.356 13.190 13.525 1.00 51.13 O ATOM 1088 ND2 ASN A 74 2.778 12.882 15.642 1.00 63.41 N ATOM 0 H ASN A 74 5.113 10.643 12.356 1.00 40.40 H new ATOM 0 HA ASN A 74 5.720 12.594 13.020 1.00 61.34 H new ATOM 0 HB2 ASN A 74 5.066 11.785 15.861 1.00 43.55 H new ATOM 0 HB3 ASN A 74 5.611 13.384 15.393 1.00 43.55 H new ATOM 0 HD21 ASN A 74 1.811 13.147 15.454 1.00 63.41 H new ATOM 0 HD22 ASN A 74 3.060 12.619 16.586 1.00 63.41 H new ATOM 1095 N ALA A 75 7.989 10.803 13.497 1.00 43.14 N ATOM 1096 CA ALA A 75 9.437 10.623 13.581 1.00 43.02 C ATOM 1097 C ALA A 75 10.022 10.682 12.164 1.00 14.20 C ATOM 1098 O ALA A 75 9.549 9.974 11.275 1.00 64.01 O ATOM 1099 CB ALA A 75 9.765 9.297 14.233 1.00 12.03 C ATOM 0 H ALA A 75 7.519 10.100 12.926 1.00 43.14 H new ATOM 0 HA ALA A 75 9.872 11.415 14.191 1.00 43.02 H new ATOM 0 HB1 ALA A 75 10.847 9.177 14.289 1.00 12.03 H new ATOM 0 HB2 ALA A 75 9.345 9.272 15.238 1.00 12.03 H new ATOM 0 HB3 ALA A 75 9.340 8.486 13.642 1.00 12.03 H new ATOM 1105 N PRO A 76 11.008 11.548 11.916 1.00 72.03 N ATOM 1106 CA PRO A 76 11.568 11.751 10.570 1.00 44.32 C ATOM 1107 C PRO A 76 12.473 10.605 10.095 1.00 22.25 C ATOM 1108 O PRO A 76 13.417 10.191 10.795 1.00 55.11 O ATOM 1109 CB PRO A 76 12.342 13.058 10.714 1.00 14.21 C ATOM 1110 CG PRO A 76 12.769 13.084 12.140 1.00 54.03 C ATOM 1111 CD PRO A 76 11.668 12.414 12.920 1.00 61.42 C ATOM 0 HA PRO A 76 10.789 11.781 9.809 1.00 44.32 H new ATOM 0 HB2 PRO A 76 13.200 13.087 10.042 1.00 14.21 H new ATOM 0 HB3 PRO A 76 11.718 13.918 10.471 1.00 14.21 H new ATOM 0 HG2 PRO A 76 13.715 12.559 12.273 1.00 54.03 H new ATOM 0 HG3 PRO A 76 12.921 14.108 12.482 1.00 54.03 H new ATOM 0 HD2 PRO A 76 12.063 11.833 13.753 1.00 61.42 H new ATOM 0 HD3 PRO A 76 10.974 13.142 13.340 1.00 61.42 H new ATOM 1119 N VAL A 77 12.177 10.100 8.902 1.00 43.35 N ATOM 1120 CA VAL A 77 12.896 8.980 8.299 1.00 44.54 C ATOM 1121 C VAL A 77 12.925 9.186 6.790 1.00 62.31 C ATOM 1122 O VAL A 77 12.377 10.173 6.292 1.00 25.41 O ATOM 1123 CB VAL A 77 12.179 7.610 8.563 1.00 1.34 C ATOM 1124 CG1 VAL A 77 12.027 7.304 10.046 1.00 12.32 C ATOM 1125 CG2 VAL A 77 10.828 7.566 7.863 1.00 70.04 C ATOM 0 H VAL A 77 11.422 10.460 8.318 1.00 43.35 H new ATOM 0 HA VAL A 77 13.893 8.950 8.738 1.00 44.54 H new ATOM 0 HB VAL A 77 12.819 6.833 8.145 1.00 1.34 H new ATOM 0 HG11 VAL A 77 11.525 6.345 10.170 1.00 12.32 H new ATOM 0 HG12 VAL A 77 13.012 7.261 10.511 1.00 12.32 H new ATOM 0 HG13 VAL A 77 11.436 8.087 10.520 1.00 12.32 H new ATOM 0 HG21 VAL A 77 10.348 6.607 8.059 1.00 70.04 H new ATOM 0 HG22 VAL A 77 10.197 8.372 8.239 1.00 70.04 H new ATOM 0 HG23 VAL A 77 10.970 7.687 6.789 1.00 70.04 H new ATOM 1135 N GLN A 78 13.547 8.272 6.076 1.00 65.02 N ATOM 1136 CA GLN A 78 13.485 8.294 4.628 1.00 20.21 C ATOM 1137 C GLN A 78 12.792 7.037 4.111 1.00 53.02 C ATOM 1138 O GLN A 78 12.098 7.076 3.103 1.00 13.54 O ATOM 1139 CB GLN A 78 14.852 8.495 3.965 1.00 61.05 C ATOM 1140 CG GLN A 78 15.894 7.442 4.281 1.00 52.41 C ATOM 1141 CD GLN A 78 17.141 7.647 3.461 1.00 73.43 C ATOM 1142 OE1 GLN A 78 17.273 7.104 2.364 1.00 61.20 O ATOM 1143 NE2 GLN A 78 18.038 8.444 3.951 1.00 12.33 N ATOM 0 H GLN A 78 14.098 7.509 6.470 1.00 65.02 H new ATOM 0 HA GLN A 78 12.893 9.166 4.348 1.00 20.21 H new ATOM 0 HB2 GLN A 78 14.711 8.528 2.885 1.00 61.05 H new ATOM 0 HB3 GLN A 78 15.242 9.468 4.265 1.00 61.05 H new ATOM 0 HG2 GLN A 78 16.143 7.479 5.342 1.00 52.41 H new ATOM 0 HG3 GLN A 78 15.485 6.451 4.084 1.00 52.41 H new ATOM 0 HE21 GLN A 78 17.893 8.875 4.864 1.00 12.33 H new ATOM 0 HE22 GLN A 78 18.889 8.640 3.424 1.00 12.33 H new ATOM 1152 N GLU A 79 12.961 5.933 4.823 1.00 13.44 N ATOM 1153 CA GLU A 79 12.304 4.698 4.468 1.00 62.12 C ATOM 1154 C GLU A 79 11.602 4.136 5.690 1.00 54.02 C ATOM 1155 O GLU A 79 12.040 4.370 6.828 1.00 63.13 O ATOM 1156 CB GLU A 79 13.277 3.668 3.861 1.00 42.21 C ATOM 1157 CG GLU A 79 14.400 3.203 4.781 1.00 1.02 C ATOM 1158 CD GLU A 79 15.227 2.111 4.147 1.00 44.13 C ATOM 1159 OE1 GLU A 79 14.811 0.930 4.187 1.00 54.23 O ATOM 1160 OE2 GLU A 79 16.294 2.408 3.558 1.00 75.21 O ATOM 0 H GLU A 79 13.552 5.874 5.653 1.00 13.44 H new ATOM 0 HA GLU A 79 11.569 4.914 3.693 1.00 62.12 H new ATOM 0 HB2 GLU A 79 12.705 2.796 3.546 1.00 42.21 H new ATOM 0 HB3 GLU A 79 13.721 4.099 2.964 1.00 42.21 H new ATOM 0 HG2 GLU A 79 15.042 4.049 5.027 1.00 1.02 H new ATOM 0 HG3 GLU A 79 13.976 2.841 5.718 1.00 1.02 H new ATOM 1167 N TRP A 80 10.525 3.436 5.469 1.00 23.04 N ATOM 1168 CA TRP A 80 9.727 2.879 6.533 1.00 54.34 C ATOM 1169 C TRP A 80 8.900 1.730 5.984 1.00 40.03 C ATOM 1170 O TRP A 80 8.633 1.671 4.788 1.00 14.50 O ATOM 1171 CB TRP A 80 8.833 3.992 7.132 1.00 64.11 C ATOM 1172 CG TRP A 80 7.937 3.588 8.263 1.00 52.23 C ATOM 1173 CD1 TRP A 80 6.605 3.337 8.189 1.00 43.25 C ATOM 1174 CD2 TRP A 80 8.299 3.422 9.635 1.00 23.34 C ATOM 1175 NE1 TRP A 80 6.115 3.019 9.421 1.00 10.14 N ATOM 1176 CE2 TRP A 80 7.130 3.065 10.328 1.00 72.10 C ATOM 1177 CE3 TRP A 80 9.495 3.539 10.345 1.00 34.20 C ATOM 1178 CZ2 TRP A 80 7.120 2.828 11.694 1.00 54.31 C ATOM 1179 CZ3 TRP A 80 9.480 3.305 11.703 1.00 43.34 C ATOM 1180 CH2 TRP A 80 8.298 2.953 12.363 1.00 61.54 C ATOM 0 H TRP A 80 10.170 3.232 4.535 1.00 23.04 H new ATOM 0 HA TRP A 80 10.362 2.490 7.329 1.00 54.34 H new ATOM 0 HB2 TRP A 80 9.478 4.799 7.478 1.00 64.11 H new ATOM 0 HB3 TRP A 80 8.213 4.400 6.333 1.00 64.11 H new ATOM 0 HD1 TRP A 80 6.018 3.383 7.284 1.00 43.25 H new ATOM 0 HE1 TRP A 80 5.145 2.784 9.630 1.00 10.14 H new ATOM 0 HE3 TRP A 80 10.412 3.807 9.841 1.00 34.20 H new ATOM 0 HZ2 TRP A 80 6.211 2.554 12.208 1.00 54.31 H new ATOM 0 HZ3 TRP A 80 10.396 3.395 12.267 1.00 43.34 H new ATOM 0 HH2 TRP A 80 8.321 2.776 13.428 1.00 61.54 H new ATOM 1191 N GLN A 81 8.562 0.795 6.819 1.00 61.01 N ATOM 1192 CA GLN A 81 7.724 -0.301 6.408 1.00 10.20 C ATOM 1193 C GLN A 81 6.342 -0.089 6.982 1.00 10.31 C ATOM 1194 O GLN A 81 6.154 -0.172 8.200 1.00 33.30 O ATOM 1195 CB GLN A 81 8.290 -1.633 6.873 1.00 22.41 C ATOM 1196 CG GLN A 81 9.699 -1.897 6.397 1.00 11.01 C ATOM 1197 CD GLN A 81 10.198 -3.255 6.813 1.00 41.13 C ATOM 1198 OE1 GLN A 81 9.789 -3.801 7.841 1.00 24.35 O ATOM 1199 NE2 GLN A 81 11.092 -3.795 6.042 1.00 40.14 N ATOM 0 H GLN A 81 8.853 0.765 7.796 1.00 61.01 H new ATOM 0 HA GLN A 81 7.679 -0.329 5.319 1.00 10.20 H new ATOM 0 HB2 GLN A 81 8.273 -1.664 7.962 1.00 22.41 H new ATOM 0 HB3 GLN A 81 7.641 -2.435 6.521 1.00 22.41 H new ATOM 0 HG2 GLN A 81 9.734 -1.817 5.311 1.00 11.01 H new ATOM 0 HG3 GLN A 81 10.364 -1.131 6.795 1.00 11.01 H new ATOM 0 HE21 GLN A 81 11.402 -3.308 5.201 1.00 40.14 H new ATOM 0 HE22 GLN A 81 11.485 -4.706 6.277 1.00 40.14 H new ATOM 1208 N LEU A 82 5.402 0.219 6.121 1.00 61.51 N ATOM 1209 CA LEU A 82 4.026 0.512 6.532 1.00 30.12 C ATOM 1210 C LEU A 82 3.341 -0.691 7.154 1.00 74.35 C ATOM 1211 O LEU A 82 3.487 -1.834 6.675 1.00 44.41 O ATOM 1212 CB LEU A 82 3.172 0.958 5.345 1.00 41.31 C ATOM 1213 CG LEU A 82 3.702 2.113 4.506 1.00 60.04 C ATOM 1214 CD1 LEU A 82 2.757 2.434 3.357 1.00 20.40 C ATOM 1215 CD2 LEU A 82 3.888 3.320 5.362 1.00 2.10 C ATOM 0 H LEU A 82 5.556 0.277 5.114 1.00 61.51 H new ATOM 0 HA LEU A 82 4.107 1.311 7.269 1.00 30.12 H new ATOM 0 HB2 LEU A 82 3.030 0.100 4.688 1.00 41.31 H new ATOM 0 HB3 LEU A 82 2.188 1.237 5.722 1.00 41.31 H new ATOM 0 HG LEU A 82 4.662 1.815 4.085 1.00 60.04 H new ATOM 0 HD11 LEU A 82 3.160 3.262 2.775 1.00 20.40 H new ATOM 0 HD12 LEU A 82 2.652 1.558 2.717 1.00 20.40 H new ATOM 0 HD13 LEU A 82 1.781 2.712 3.755 1.00 20.40 H new ATOM 0 HD21 LEU A 82 4.267 4.142 4.755 1.00 2.10 H new ATOM 0 HD22 LEU A 82 2.932 3.605 5.802 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.601 3.097 6.156 1.00 2.10 H new ATOM 1227 N ALA A 83 2.635 -0.431 8.212 1.00 34.13 N ATOM 1228 CA ALA A 83 1.774 -1.369 8.859 1.00 51.42 C ATOM 1229 C ALA A 83 0.471 -0.646 9.140 1.00 24.53 C ATOM 1230 O ALA A 83 0.415 0.597 9.051 1.00 65.41 O ATOM 1231 CB ALA A 83 2.399 -1.873 10.158 1.00 44.21 C ATOM 0 H ALA A 83 2.645 0.482 8.667 1.00 34.13 H new ATOM 0 HA ALA A 83 1.608 -2.241 8.226 1.00 51.42 H new ATOM 0 HB1 ALA A 83 1.725 -2.586 10.633 1.00 44.21 H new ATOM 0 HB2 ALA A 83 3.349 -2.361 9.939 1.00 44.21 H new ATOM 0 HB3 ALA A 83 2.570 -1.032 10.830 1.00 44.21 H new ATOM 1237 N ASP A 84 -0.569 -1.386 9.427 1.00 4.01 N ATOM 1238 CA ASP A 84 -1.871 -0.798 9.741 1.00 1.12 C ATOM 1239 C ASP A 84 -1.777 0.101 10.972 1.00 52.05 C ATOM 1240 O ASP A 84 -1.342 -0.341 12.045 1.00 1.44 O ATOM 1241 CB ASP A 84 -2.910 -1.893 9.979 1.00 71.15 C ATOM 1242 CG ASP A 84 -4.267 -1.344 10.356 1.00 74.11 C ATOM 1243 OD1 ASP A 84 -5.047 -0.983 9.448 1.00 72.41 O ATOM 1244 OD2 ASP A 84 -4.583 -1.292 11.564 1.00 11.13 O ATOM 0 H ASP A 84 -0.551 -2.406 9.453 1.00 4.01 H new ATOM 0 HA ASP A 84 -2.181 -0.193 8.889 1.00 1.12 H new ATOM 0 HB2 ASP A 84 -3.006 -2.498 9.077 1.00 71.15 H new ATOM 0 HB3 ASP A 84 -2.558 -2.555 10.771 1.00 71.15 H new ATOM 1249 N GLY A 85 -2.136 1.353 10.809 1.00 65.04 N ATOM 1250 CA GLY A 85 -2.117 2.274 11.917 1.00 72.33 C ATOM 1251 C GLY A 85 -1.042 3.331 11.800 1.00 14.23 C ATOM 1252 O GLY A 85 -1.050 4.310 12.557 1.00 12.01 O ATOM 0 H GLY A 85 -2.443 1.754 9.923 1.00 65.04 H new ATOM 0 HA2 GLY A 85 -3.089 2.761 11.992 1.00 72.33 H new ATOM 0 HA3 GLY A 85 -1.969 1.716 12.841 1.00 72.33 H new ATOM 1256 N ASP A 86 -0.126 3.157 10.853 1.00 63.41 N ATOM 1257 CA ASP A 86 0.969 4.121 10.675 1.00 74.12 C ATOM 1258 C ASP A 86 0.498 5.465 10.197 1.00 51.35 C ATOM 1259 O ASP A 86 -0.383 5.566 9.320 1.00 55.32 O ATOM 1260 CB ASP A 86 2.066 3.631 9.729 1.00 34.54 C ATOM 1261 CG ASP A 86 3.028 2.679 10.351 1.00 72.51 C ATOM 1262 OD1 ASP A 86 3.629 3.015 11.373 1.00 10.23 O ATOM 1263 OD2 ASP A 86 3.263 1.614 9.796 1.00 52.45 O ATOM 0 H ASP A 86 -0.113 2.371 10.202 1.00 63.41 H new ATOM 0 HA ASP A 86 1.388 4.221 11.676 1.00 74.12 H new ATOM 0 HB2 ASP A 86 1.600 3.150 8.869 1.00 34.54 H new ATOM 0 HB3 ASP A 86 2.617 4.493 9.352 1.00 34.54 H new ATOM 1268 N VAL A 87 1.077 6.496 10.773 1.00 4.32 N ATOM 1269 CA VAL A 87 0.810 7.859 10.371 1.00 71.40 C ATOM 1270 C VAL A 87 1.967 8.347 9.544 1.00 34.34 C ATOM 1271 O VAL A 87 3.067 8.489 10.041 1.00 62.32 O ATOM 1272 CB VAL A 87 0.651 8.820 11.583 1.00 54.33 C ATOM 1273 CG1 VAL A 87 0.312 10.227 11.111 1.00 22.44 C ATOM 1274 CG2 VAL A 87 -0.405 8.310 12.542 1.00 31.40 C ATOM 0 H VAL A 87 1.749 6.412 11.536 1.00 4.32 H new ATOM 0 HA VAL A 87 -0.126 7.859 9.813 1.00 71.40 H new ATOM 0 HB VAL A 87 1.602 8.855 12.114 1.00 54.33 H new ATOM 0 HG11 VAL A 87 0.205 10.884 11.974 1.00 22.44 H new ATOM 0 HG12 VAL A 87 1.111 10.598 10.469 1.00 22.44 H new ATOM 0 HG13 VAL A 87 -0.623 10.208 10.551 1.00 22.44 H new ATOM 0 HG21 VAL A 87 -0.498 8.999 13.381 1.00 31.40 H new ATOM 0 HG22 VAL A 87 -1.362 8.237 12.025 1.00 31.40 H new ATOM 0 HG23 VAL A 87 -0.117 7.326 12.911 1.00 31.40 H new ATOM 1284 N ILE A 88 1.739 8.588 8.312 1.00 33.15 N ATOM 1285 CA ILE A 88 2.775 9.070 7.458 1.00 53.34 C ATOM 1286 C ILE A 88 2.466 10.513 7.137 1.00 51.43 C ATOM 1287 O ILE A 88 1.537 10.816 6.412 1.00 41.32 O ATOM 1288 CB ILE A 88 2.930 8.202 6.151 1.00 0.20 C ATOM 1289 CG1 ILE A 88 3.419 6.774 6.449 1.00 12.22 C ATOM 1290 CG2 ILE A 88 3.840 8.844 5.139 1.00 72.54 C ATOM 1291 CD1 ILE A 88 2.403 5.878 7.098 1.00 32.43 C ATOM 0 H ILE A 88 0.835 8.460 7.858 1.00 33.15 H new ATOM 0 HA ILE A 88 3.735 8.993 7.969 1.00 53.34 H new ATOM 0 HB ILE A 88 1.928 8.142 5.725 1.00 0.20 H new ATOM 0 HG12 ILE A 88 3.743 6.315 5.515 1.00 12.22 H new ATOM 0 HG13 ILE A 88 4.295 6.833 7.095 1.00 12.22 H new ATOM 0 HG21 ILE A 88 3.912 8.206 4.258 1.00 72.54 H new ATOM 0 HG22 ILE A 88 3.437 9.815 4.851 1.00 72.54 H new ATOM 0 HG23 ILE A 88 4.831 8.977 5.573 1.00 72.54 H new ATOM 0 HD11 ILE A 88 2.841 4.894 7.268 1.00 32.43 H new ATOM 0 HD12 ILE A 88 2.095 6.308 8.051 1.00 32.43 H new ATOM 0 HD13 ILE A 88 1.535 5.781 6.446 1.00 32.43 H new ATOM 1303 N ARG A 89 3.203 11.396 7.717 1.00 23.12 N ATOM 1304 CA ARG A 89 2.951 12.783 7.533 1.00 63.41 C ATOM 1305 C ARG A 89 3.907 13.330 6.527 1.00 32.44 C ATOM 1306 O ARG A 89 5.095 13.482 6.808 1.00 35.03 O ATOM 1307 CB ARG A 89 3.091 13.552 8.844 1.00 43.01 C ATOM 1308 CG ARG A 89 2.692 15.017 8.731 1.00 54.34 C ATOM 1309 CD ARG A 89 3.010 15.776 10.000 1.00 44.31 C ATOM 1310 NE ARG A 89 4.458 15.871 10.228 1.00 72.22 N ATOM 1311 CZ ARG A 89 5.029 16.354 11.338 1.00 11.11 C ATOM 1312 NH1 ARG A 89 4.277 16.702 12.388 1.00 34.32 N ATOM 1313 NH2 ARG A 89 6.355 16.478 11.396 1.00 45.15 N ATOM 0 H ARG A 89 3.991 11.180 8.327 1.00 23.12 H new ATOM 0 HA ARG A 89 1.927 12.901 7.180 1.00 63.41 H new ATOM 0 HB2 ARG A 89 2.475 13.073 9.605 1.00 43.01 H new ATOM 0 HB3 ARG A 89 4.125 13.490 9.185 1.00 43.01 H new ATOM 0 HG2 ARG A 89 3.215 15.474 7.891 1.00 54.34 H new ATOM 0 HG3 ARG A 89 1.625 15.090 8.520 1.00 54.34 H new ATOM 0 HD2 ARG A 89 2.584 16.778 9.941 1.00 44.31 H new ATOM 0 HD3 ARG A 89 2.540 15.279 10.849 1.00 44.31 H new ATOM 0 HE ARG A 89 5.075 15.544 9.484 1.00 72.22 H new ATOM 0 HH11 ARG A 89 3.263 16.600 12.345 1.00 34.32 H new ATOM 0 HH12 ARG A 89 4.718 17.070 13.231 1.00 34.32 H new ATOM 0 HH21 ARG A 89 6.928 16.206 10.597 1.00 45.15 H new ATOM 0 HH22 ARG A 89 6.796 16.845 12.239 1.00 45.15 H new ATOM 1327 N LEU A 90 3.417 13.604 5.363 1.00 62.41 N ATOM 1328 CA LEU A 90 4.226 14.200 4.353 1.00 21.14 C ATOM 1329 C LEU A 90 4.252 15.679 4.619 1.00 32.31 C ATOM 1330 O LEU A 90 3.395 16.174 5.371 1.00 72.34 O ATOM 1331 CB LEU A 90 3.719 13.891 2.919 1.00 15.00 C ATOM 1332 CG LEU A 90 2.252 14.215 2.560 1.00 50.13 C ATOM 1333 CD1 LEU A 90 2.149 14.497 1.073 1.00 44.45 C ATOM 1334 CD2 LEU A 90 1.344 13.024 2.881 1.00 14.42 C ATOM 0 H LEU A 90 2.452 13.423 5.087 1.00 62.41 H new ATOM 0 HA LEU A 90 5.231 13.780 4.397 1.00 21.14 H new ATOM 0 HB2 LEU A 90 4.357 14.433 2.220 1.00 15.00 H new ATOM 0 HB3 LEU A 90 3.876 12.828 2.736 1.00 15.00 H new ATOM 0 HG LEU A 90 1.939 15.082 3.142 1.00 50.13 H new ATOM 0 HD11 LEU A 90 1.115 14.726 0.817 1.00 44.45 H new ATOM 0 HD12 LEU A 90 2.782 15.347 0.819 1.00 44.45 H new ATOM 0 HD13 LEU A 90 2.476 13.621 0.513 1.00 44.45 H new ATOM 0 HD21 LEU A 90 0.315 13.271 2.621 1.00 14.42 H new ATOM 0 HD22 LEU A 90 1.665 12.156 2.305 1.00 14.42 H new ATOM 0 HD23 LEU A 90 1.405 12.796 3.945 1.00 14.42 H new ATOM 1346 N GLY A 91 5.221 16.392 4.080 1.00 42.33 N ATOM 1347 CA GLY A 91 5.251 17.813 4.308 1.00 21.25 C ATOM 1348 C GLY A 91 4.133 18.508 3.569 1.00 11.14 C ATOM 1349 O GLY A 91 4.321 18.953 2.420 1.00 71.31 O ATOM 0 H GLY A 91 5.974 16.021 3.500 1.00 42.33 H new ATOM 0 HA2 GLY A 91 5.165 18.015 5.376 1.00 21.25 H new ATOM 0 HA3 GLY A 91 6.210 18.216 3.984 1.00 21.25 H new ATOM 1353 N HIS A 92 2.967 18.556 4.242 1.00 43.11 N ATOM 1354 CA HIS A 92 1.740 19.202 3.804 1.00 25.24 C ATOM 1355 C HIS A 92 0.569 18.673 4.657 1.00 3.21 C ATOM 1356 O HIS A 92 -0.047 19.406 5.421 1.00 52.32 O ATOM 1357 CB HIS A 92 1.423 18.932 2.325 1.00 24.23 C ATOM 1358 CG HIS A 92 0.393 19.856 1.784 1.00 74.03 C ATOM 1359 ND1 HIS A 92 -0.953 19.722 2.010 1.00 43.02 N ATOM 1360 CD2 HIS A 92 0.542 20.981 1.050 1.00 4.25 C ATOM 1361 CE1 HIS A 92 -1.566 20.736 1.428 1.00 51.31 C ATOM 1362 NE2 HIS A 92 -0.701 21.540 0.827 1.00 20.45 N ATOM 0 H HIS A 92 2.863 18.116 5.156 1.00 43.11 H new ATOM 0 HA HIS A 92 1.876 20.277 3.925 1.00 25.24 H new ATOM 0 HB2 HIS A 92 2.336 19.028 1.738 1.00 24.23 H new ATOM 0 HB3 HIS A 92 1.079 17.904 2.213 1.00 24.23 H new ATOM 0 HD1 HIS A 92 -1.401 18.971 2.535 1.00 43.02 H new ATOM 0 HD2 HIS A 92 1.481 21.379 0.695 1.00 4.25 H new ATOM 0 HE1 HIS A 92 -2.635 20.890 1.440 1.00 51.31 H new ATOM 1370 N SER A 93 0.312 17.388 4.543 1.00 33.14 N ATOM 1371 CA SER A 93 -0.821 16.739 5.208 1.00 63.30 C ATOM 1372 C SER A 93 -0.376 15.342 5.649 1.00 71.13 C ATOM 1373 O SER A 93 0.740 14.934 5.327 1.00 43.04 O ATOM 1374 CB SER A 93 -1.999 16.610 4.212 1.00 71.54 C ATOM 1375 OG SER A 93 -2.337 17.865 3.600 1.00 12.12 O ATOM 0 H SER A 93 0.881 16.751 3.985 1.00 33.14 H new ATOM 0 HA SER A 93 -1.143 17.326 6.068 1.00 63.30 H new ATOM 0 HB2 SER A 93 -1.739 15.889 3.437 1.00 71.54 H new ATOM 0 HB3 SER A 93 -2.871 16.216 4.734 1.00 71.54 H new ATOM 0 HG SER A 93 -2.739 17.703 2.721 1.00 12.12 H new ATOM 1381 N GLU A 94 -1.204 14.611 6.359 1.00 20.31 N ATOM 1382 CA GLU A 94 -0.844 13.266 6.741 1.00 72.33 C ATOM 1383 C GLU A 94 -1.730 12.204 6.110 1.00 70.03 C ATOM 1384 O GLU A 94 -2.905 12.436 5.797 1.00 12.34 O ATOM 1385 CB GLU A 94 -0.667 13.082 8.272 1.00 73.21 C ATOM 1386 CG GLU A 94 -1.626 13.866 9.160 1.00 63.55 C ATOM 1387 CD GLU A 94 -3.069 13.624 8.855 1.00 22.52 C ATOM 1388 OE1 GLU A 94 -3.658 12.657 9.398 1.00 42.01 O ATOM 1389 OE2 GLU A 94 -3.640 14.408 8.098 1.00 65.51 O ATOM 0 H GLU A 94 -2.121 14.921 6.681 1.00 20.31 H new ATOM 0 HA GLU A 94 0.148 13.108 6.317 1.00 72.33 H new ATOM 0 HB2 GLU A 94 -0.774 12.022 8.504 1.00 73.21 H new ATOM 0 HB3 GLU A 94 0.352 13.365 8.535 1.00 73.21 H new ATOM 0 HG2 GLU A 94 -1.436 13.606 10.201 1.00 63.55 H new ATOM 0 HG3 GLU A 94 -1.416 14.930 9.054 1.00 63.55 H new ATOM 1396 N ILE A 95 -1.142 11.067 5.890 1.00 33.44 N ATOM 1397 CA ILE A 95 -1.795 9.951 5.300 1.00 42.35 C ATOM 1398 C ILE A 95 -1.751 8.788 6.318 1.00 23.33 C ATOM 1399 O ILE A 95 -0.695 8.486 6.899 1.00 53.41 O ATOM 1400 CB ILE A 95 -1.095 9.565 3.926 1.00 63.52 C ATOM 1401 CG1 ILE A 95 -1.904 8.582 3.122 1.00 42.55 C ATOM 1402 CG2 ILE A 95 0.313 9.052 4.083 1.00 13.31 C ATOM 1403 CD1 ILE A 95 -3.068 9.218 2.434 1.00 30.34 C ATOM 0 H ILE A 95 -0.165 10.891 6.125 1.00 33.44 H new ATOM 0 HA ILE A 95 -2.833 10.186 5.066 1.00 42.35 H new ATOM 0 HB ILE A 95 -1.041 10.507 3.380 1.00 63.52 H new ATOM 0 HG12 ILE A 95 -1.261 8.111 2.379 1.00 42.55 H new ATOM 0 HG13 ILE A 95 -2.264 7.791 3.779 1.00 42.55 H new ATOM 0 HG21 ILE A 95 0.723 8.810 3.103 1.00 13.31 H new ATOM 0 HG22 ILE A 95 0.929 9.818 4.555 1.00 13.31 H new ATOM 0 HG23 ILE A 95 0.307 8.157 4.705 1.00 13.31 H new ATOM 0 HD11 ILE A 95 -3.615 8.462 1.870 1.00 30.34 H new ATOM 0 HD12 ILE A 95 -3.729 9.666 3.176 1.00 30.34 H new ATOM 0 HD13 ILE A 95 -2.711 9.991 1.753 1.00 30.34 H new ATOM 1415 N ILE A 96 -2.882 8.217 6.605 1.00 41.31 N ATOM 1416 CA ILE A 96 -2.958 7.115 7.538 1.00 23.14 C ATOM 1417 C ILE A 96 -3.128 5.821 6.765 1.00 40.33 C ATOM 1418 O ILE A 96 -3.942 5.747 5.838 1.00 20.22 O ATOM 1419 CB ILE A 96 -4.125 7.298 8.561 1.00 42.11 C ATOM 1420 CG1 ILE A 96 -3.938 8.610 9.347 1.00 50.43 C ATOM 1421 CG2 ILE A 96 -4.202 6.105 9.525 1.00 4.20 C ATOM 1422 CD1 ILE A 96 -5.051 8.910 10.337 1.00 1.24 C ATOM 0 H ILE A 96 -3.778 8.494 6.205 1.00 41.31 H new ATOM 0 HA ILE A 96 -2.032 7.085 8.112 1.00 23.14 H new ATOM 0 HB ILE A 96 -5.063 7.347 8.007 1.00 42.11 H new ATOM 0 HG12 ILE A 96 -2.991 8.566 9.885 1.00 50.43 H new ATOM 0 HG13 ILE A 96 -3.864 9.436 8.640 1.00 50.43 H new ATOM 0 HG21 ILE A 96 -5.022 6.257 10.227 1.00 4.20 H new ATOM 0 HG22 ILE A 96 -4.374 5.190 8.958 1.00 4.20 H new ATOM 0 HG23 ILE A 96 -3.265 6.021 10.075 1.00 4.20 H new ATOM 0 HD11 ILE A 96 -4.841 9.850 10.847 1.00 1.24 H new ATOM 0 HD12 ILE A 96 -5.999 8.990 9.805 1.00 1.24 H new ATOM 0 HD13 ILE A 96 -5.113 8.106 11.070 1.00 1.24 H new ATOM 1434 N VAL A 97 -2.350 4.834 7.117 1.00 4.34 N ATOM 1435 CA VAL A 97 -2.377 3.551 6.458 1.00 2.12 C ATOM 1436 C VAL A 97 -3.311 2.587 7.165 1.00 3.34 C ATOM 1437 O VAL A 97 -3.120 2.268 8.346 1.00 1.42 O ATOM 1438 CB VAL A 97 -0.951 2.949 6.378 1.00 3.30 C ATOM 1439 CG1 VAL A 97 -0.979 1.516 5.871 1.00 33.44 C ATOM 1440 CG2 VAL A 97 -0.116 3.787 5.452 1.00 51.42 C ATOM 0 H VAL A 97 -1.672 4.896 7.876 1.00 4.34 H new ATOM 0 HA VAL A 97 -2.752 3.707 5.447 1.00 2.12 H new ATOM 0 HB VAL A 97 -0.524 2.945 7.381 1.00 3.30 H new ATOM 0 HG11 VAL A 97 0.038 1.125 5.828 1.00 33.44 H new ATOM 0 HG12 VAL A 97 -1.575 0.903 6.547 1.00 33.44 H new ATOM 0 HG13 VAL A 97 -1.420 1.491 4.875 1.00 33.44 H new ATOM 0 HG21 VAL A 97 0.889 3.370 5.390 1.00 51.42 H new ATOM 0 HG22 VAL A 97 -0.568 3.793 4.460 1.00 51.42 H new ATOM 0 HG23 VAL A 97 -0.063 4.807 5.833 1.00 51.42 H new ATOM 1450 N ARG A 98 -4.331 2.158 6.462 1.00 55.14 N ATOM 1451 CA ARG A 98 -5.240 1.170 6.964 1.00 42.31 C ATOM 1452 C ARG A 98 -5.144 -0.041 6.092 1.00 35.41 C ATOM 1453 O ARG A 98 -5.167 0.066 4.863 1.00 74.32 O ATOM 1454 CB ARG A 98 -6.668 1.692 6.979 1.00 2.12 C ATOM 1455 CG ARG A 98 -6.853 2.951 7.796 1.00 2.10 C ATOM 1456 CD ARG A 98 -6.450 2.768 9.255 1.00 61.24 C ATOM 1457 NE ARG A 98 -7.169 1.671 9.904 1.00 54.34 N ATOM 1458 CZ ARG A 98 -6.905 1.198 11.131 1.00 14.34 C ATOM 1459 NH1 ARG A 98 -6.075 1.846 11.941 1.00 32.30 N ATOM 1460 NH2 ARG A 98 -7.529 0.117 11.568 1.00 74.14 N ATOM 0 H ARG A 98 -4.550 2.489 5.522 1.00 55.14 H new ATOM 0 HA ARG A 98 -4.972 0.922 7.991 1.00 42.31 H new ATOM 0 HB2 ARG A 98 -6.984 1.886 5.954 1.00 2.12 H new ATOM 0 HB3 ARG A 98 -7.324 0.916 7.373 1.00 2.12 H new ATOM 0 HG2 ARG A 98 -6.261 3.754 7.358 1.00 2.10 H new ATOM 0 HG3 ARG A 98 -7.897 3.261 7.747 1.00 2.10 H new ATOM 0 HD2 ARG A 98 -5.378 2.578 9.311 1.00 61.24 H new ATOM 0 HD3 ARG A 98 -6.639 3.693 9.799 1.00 61.24 H new ATOM 0 HE ARG A 98 -7.929 1.233 9.384 1.00 54.34 H new ATOM 0 HH11 ARG A 98 -5.632 2.711 11.632 1.00 32.30 H new ATOM 0 HH12 ARG A 98 -5.881 1.478 12.872 1.00 32.30 H new ATOM 0 HH21 ARG A 98 -8.209 -0.355 10.972 1.00 74.14 H new ATOM 0 HH22 ARG A 98 -7.330 -0.245 12.501 1.00 74.14 H new ATOM 1474 N MET A 99 -4.999 -1.162 6.696 1.00 52.42 N ATOM 1475 CA MET A 99 -4.865 -2.398 5.958 1.00 60.34 C ATOM 1476 C MET A 99 -6.034 -3.320 6.193 1.00 33.50 C ATOM 1477 O MET A 99 -6.429 -3.582 7.331 1.00 43.32 O ATOM 1478 CB MET A 99 -3.541 -3.117 6.241 1.00 35.44 C ATOM 1479 CG MET A 99 -2.312 -2.340 5.806 1.00 43.24 C ATOM 1480 SD MET A 99 -0.785 -3.284 5.975 1.00 35.00 S ATOM 1481 CE MET A 99 0.399 -2.125 5.308 1.00 64.41 C ATOM 0 H MET A 99 -4.968 -1.267 7.710 1.00 52.42 H new ATOM 0 HA MET A 99 -4.859 -2.118 4.904 1.00 60.34 H new ATOM 0 HB2 MET A 99 -3.471 -3.320 7.310 1.00 35.44 H new ATOM 0 HB3 MET A 99 -3.547 -4.081 5.733 1.00 35.44 H new ATOM 0 HG2 MET A 99 -2.431 -2.035 4.766 1.00 43.24 H new ATOM 0 HG3 MET A 99 -2.237 -1.428 6.399 1.00 43.24 H new ATOM 0 HE1 MET A 99 1.396 -2.563 5.343 1.00 64.41 H new ATOM 0 HE2 MET A 99 0.140 -1.894 4.275 1.00 64.41 H new ATOM 0 HE3 MET A 99 0.384 -1.209 5.899 1.00 64.41 H new ATOM 1491 N HIS A 100 -6.595 -3.770 5.118 1.00 74.41 N ATOM 1492 CA HIS A 100 -7.693 -4.687 5.127 1.00 24.31 C ATOM 1493 C HIS A 100 -7.123 -6.070 5.007 1.00 42.50 C ATOM 1494 O HIS A 100 -6.706 -6.446 3.901 1.00 53.03 O ATOM 1495 CB HIS A 100 -8.659 -4.427 3.957 1.00 34.22 C ATOM 1496 CG HIS A 100 -9.223 -3.034 3.903 1.00 33.00 C ATOM 1497 ND1 HIS A 100 -10.507 -2.707 4.258 1.00 23.23 N ATOM 1498 CD2 HIS A 100 -8.647 -1.881 3.497 1.00 43.41 C ATOM 1499 CE1 HIS A 100 -10.672 -1.399 4.064 1.00 14.40 C ATOM 1500 NE2 HIS A 100 -9.564 -0.846 3.598 1.00 61.24 N ATOM 1501 OXT HIS A 100 -7.043 -6.785 6.030 1.00 38.64 O ATOM 0 H HIS A 100 -6.294 -3.503 4.181 1.00 74.41 H new ATOM 0 HA HIS A 100 -8.260 -4.565 6.050 1.00 24.31 H new ATOM 0 HB2 HIS A 100 -8.137 -4.629 3.022 1.00 34.22 H new ATOM 0 HB3 HIS A 100 -9.484 -5.136 4.021 1.00 34.22 H new ATOM 0 HD1 HIS A 100 -11.213 -3.353 4.610 1.00 23.23 H new ATOM 0 HD2 HIS A 100 -7.630 -1.781 3.148 1.00 43.41 H new ATOM 0 HE1 HIS A 100 -11.588 -0.862 4.261 1.00 14.40 H new TER 1509 HIS A 100