USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1061 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.275 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.38) USER MOD Single : A 31 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.86) USER MOD Single : A 33 GLN : amide:sc= -4! K(o=-4!,f=-1.9) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 45 HIS : no HD1:sc= 0.122 K(o=0.12,f=-3.2!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -171:sc= 0.356 USER MOD Single : A 78 THR OG1 : rot 100:sc= 1.06 USER MOD Single : A 79 MET CE :methyl -145:sc= 0 (180deg=-1.26) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.39) USER MOD Single : A 89 HIS : no HD1:sc= -1.96 K(o=-2,f=-6.8!) USER MOD Single : A 102 HIS : no HE2:sc= 0.25 K(o=0.25,f=-1.5!) USER MOD Single : A 103 CYS SG : rot -90:sc= -4.57! USER MOD Single : A 104 THR OG1 : rot -170:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -119:sc= 0 (180deg=-0.401) USER MOD Single : A 113 CYS SG : rot -63:sc= -2.3 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc=-0.00333 K(o=-0.0033,f=-0.57) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.389 13.400 9.690 1.00 64.11 N ATOM 21 CA ALA A 2 -2.420 13.234 8.574 1.00 13.11 C ATOM 22 C ALA A 2 -2.224 11.726 8.237 1.00 25.32 C ATOM 23 O ALA A 2 -1.298 11.356 7.502 1.00 35.53 O ATOM 24 CB ALA A 2 -1.081 13.914 8.935 1.00 23.02 C ATOM 0 HA ALA A 2 -2.817 13.718 7.682 1.00 13.11 H new ATOM 0 HB1 ALA A 2 -0.376 13.788 8.113 1.00 23.02 H new ATOM 0 HB2 ALA A 2 -1.248 14.977 9.110 1.00 23.02 H new ATOM 0 HB3 ALA A 2 -0.672 13.457 9.836 1.00 23.02 H new ATOM 30 N THR A 3 -3.131 10.867 8.766 1.00 41.42 N ATOM 31 CA THR A 3 -3.106 9.400 8.544 1.00 72.53 C ATOM 32 C THR A 3 -4.231 8.989 7.563 1.00 74.33 C ATOM 33 O THR A 3 -5.416 9.140 7.859 1.00 62.22 O ATOM 34 CB THR A 3 -3.249 8.598 9.888 1.00 15.22 C ATOM 35 OG1 THR A 3 -2.197 8.983 10.793 1.00 0.34 O ATOM 36 CG2 THR A 3 -3.197 7.066 9.676 1.00 1.41 C ATOM 0 H THR A 3 -3.902 11.173 9.360 1.00 41.42 H new ATOM 0 HA THR A 3 -2.136 9.153 8.113 1.00 72.53 H new ATOM 0 HB THR A 3 -4.227 8.841 10.304 1.00 15.22 H new ATOM 0 HG1 THR A 3 -2.288 8.484 11.631 1.00 0.34 H new ATOM 0 HG21 THR A 3 -3.300 6.562 10.637 1.00 1.41 H new ATOM 0 HG22 THR A 3 -4.011 6.762 9.017 1.00 1.41 H new ATOM 0 HG23 THR A 3 -2.243 6.793 9.224 1.00 1.41 H new ATOM 44 N LEU A 4 -3.824 8.497 6.388 1.00 61.21 N ATOM 45 CA LEU A 4 -4.722 8.049 5.302 1.00 32.33 C ATOM 46 C LEU A 4 -4.920 6.514 5.383 1.00 12.15 C ATOM 47 O LEU A 4 -3.972 5.759 5.180 1.00 54.24 O ATOM 48 CB LEU A 4 -4.108 8.438 3.919 1.00 53.24 C ATOM 49 CG LEU A 4 -4.131 9.955 3.514 1.00 63.41 C ATOM 50 CD1 LEU A 4 -3.379 10.865 4.510 1.00 65.52 C ATOM 51 CD2 LEU A 4 -3.561 10.135 2.098 1.00 75.20 C ATOM 0 H LEU A 4 -2.837 8.394 6.153 1.00 61.21 H new ATOM 0 HA LEU A 4 -5.691 8.536 5.411 1.00 32.33 H new ATOM 0 HB2 LEU A 4 -3.071 8.102 3.906 1.00 53.24 H new ATOM 0 HB3 LEU A 4 -4.635 7.876 3.148 1.00 53.24 H new ATOM 0 HG LEU A 4 -5.175 10.266 3.536 1.00 63.41 H new ATOM 0 HD11 LEU A 4 -3.434 11.899 4.171 1.00 65.52 H new ATOM 0 HD12 LEU A 4 -3.837 10.782 5.496 1.00 65.52 H new ATOM 0 HD13 LEU A 4 -2.335 10.557 4.568 1.00 65.52 H new ATOM 0 HD21 LEU A 4 -3.582 11.191 1.829 1.00 75.20 H new ATOM 0 HD22 LEU A 4 -2.533 9.774 2.071 1.00 75.20 H new ATOM 0 HD23 LEU A 4 -4.163 9.567 1.389 1.00 75.20 H new ATOM 63 N ARG A 5 -6.156 6.062 5.666 1.00 62.12 N ATOM 64 CA ARG A 5 -6.466 4.618 5.850 1.00 64.22 C ATOM 65 C ARG A 5 -7.562 4.130 4.867 1.00 32.11 C ATOM 66 O ARG A 5 -8.561 4.815 4.638 1.00 24.14 O ATOM 67 CB ARG A 5 -6.910 4.345 7.316 1.00 63.31 C ATOM 68 CG ARG A 5 -7.334 2.880 7.597 1.00 0.50 C ATOM 69 CD ARG A 5 -7.825 2.648 9.032 1.00 3.42 C ATOM 70 NE ARG A 5 -8.420 1.302 9.178 1.00 72.13 N ATOM 71 CZ ARG A 5 -8.069 0.387 10.051 1.00 3.22 C ATOM 72 NH1 ARG A 5 -7.080 0.574 10.872 1.00 14.52 N ATOM 73 NH2 ARG A 5 -8.712 -0.730 10.085 1.00 44.25 N ATOM 0 H ARG A 5 -6.965 6.674 5.774 1.00 62.12 H new ATOM 0 HA ARG A 5 -5.555 4.060 5.635 1.00 64.22 H new ATOM 0 HB2 ARG A 5 -6.091 4.608 7.985 1.00 63.31 H new ATOM 0 HB3 ARG A 5 -7.744 5.004 7.559 1.00 63.31 H new ATOM 0 HG2 ARG A 5 -8.125 2.600 6.901 1.00 0.50 H new ATOM 0 HG3 ARG A 5 -6.488 2.221 7.400 1.00 0.50 H new ATOM 0 HD2 ARG A 5 -6.993 2.759 9.727 1.00 3.42 H new ATOM 0 HD3 ARG A 5 -8.563 3.406 9.295 1.00 3.42 H new ATOM 0 HE ARG A 5 -9.177 1.061 8.538 1.00 72.13 H new ATOM 0 HH11 ARG A 5 -6.556 1.449 10.848 1.00 14.52 H new ATOM 0 HH12 ARG A 5 -6.828 -0.154 11.541 1.00 14.52 H new ATOM 0 HH21 ARG A 5 -9.483 -0.894 9.438 1.00 44.25 H new ATOM 0 HH22 ARG A 5 -8.449 -1.449 10.759 1.00 44.25 H new ATOM 87 N ARG A 6 -7.352 2.925 4.308 1.00 5.24 N ATOM 88 CA ARG A 6 -8.343 2.184 3.488 1.00 14.12 C ATOM 89 C ARG A 6 -8.302 0.683 3.858 1.00 73.01 C ATOM 90 O ARG A 6 -7.289 0.190 4.357 1.00 72.31 O ATOM 91 CB ARG A 6 -8.063 2.364 1.962 1.00 21.34 C ATOM 92 CG ARG A 6 -8.463 3.733 1.375 1.00 4.24 C ATOM 93 CD ARG A 6 -9.978 3.996 1.443 1.00 13.33 C ATOM 94 NE ARG A 6 -10.339 5.316 0.894 1.00 4.21 N ATOM 95 CZ ARG A 6 -10.315 6.455 1.559 1.00 43.22 C ATOM 96 NH1 ARG A 6 -9.952 6.502 2.804 1.00 14.43 N ATOM 97 NH2 ARG A 6 -10.664 7.547 0.964 1.00 24.21 N ATOM 0 H ARG A 6 -6.470 2.423 4.413 1.00 5.24 H new ATOM 0 HA ARG A 6 -9.333 2.588 3.698 1.00 14.12 H new ATOM 0 HB2 ARG A 6 -6.999 2.208 1.784 1.00 21.34 H new ATOM 0 HB3 ARG A 6 -8.595 1.584 1.417 1.00 21.34 H new ATOM 0 HG2 ARG A 6 -7.938 4.521 1.915 1.00 4.24 H new ATOM 0 HG3 ARG A 6 -8.137 3.786 0.336 1.00 4.24 H new ATOM 0 HD2 ARG A 6 -10.505 3.218 0.891 1.00 13.33 H new ATOM 0 HD3 ARG A 6 -10.310 3.932 2.479 1.00 13.33 H new ATOM 0 HE ARG A 6 -10.632 5.351 -0.082 1.00 4.21 H new ATOM 0 HH11 ARG A 6 -9.678 5.647 3.288 1.00 14.43 H new ATOM 0 HH12 ARG A 6 -9.941 7.394 3.299 1.00 14.43 H new ATOM 0 HH21 ARG A 6 -10.955 7.525 -0.013 1.00 24.21 H new ATOM 0 HH22 ARG A 6 -10.648 8.432 1.471 1.00 24.21 H new ATOM 111 N SER A 7 -9.421 -0.022 3.625 1.00 12.13 N ATOM 112 CA SER A 7 -9.504 -1.499 3.779 1.00 61.20 C ATOM 113 C SER A 7 -10.540 -2.085 2.793 1.00 43.30 C ATOM 114 O SER A 7 -11.439 -1.368 2.334 1.00 31.04 O ATOM 115 CB SER A 7 -9.851 -1.888 5.240 1.00 72.11 C ATOM 116 OG SER A 7 -11.126 -1.403 5.639 1.00 50.30 O ATOM 0 H SER A 7 -10.296 0.407 3.325 1.00 12.13 H new ATOM 0 HA SER A 7 -8.527 -1.922 3.545 1.00 61.20 H new ATOM 0 HB2 SER A 7 -9.830 -2.973 5.339 1.00 72.11 H new ATOM 0 HB3 SER A 7 -9.088 -1.492 5.910 1.00 72.11 H new ATOM 0 HG SER A 7 -11.304 -1.673 6.564 1.00 50.30 H new ATOM 122 N VAL A 8 -10.409 -3.388 2.459 1.00 73.31 N ATOM 123 CA VAL A 8 -11.275 -4.042 1.443 1.00 34.14 C ATOM 124 C VAL A 8 -11.571 -5.528 1.796 1.00 55.21 C ATOM 125 O VAL A 8 -10.726 -6.213 2.381 1.00 11.42 O ATOM 126 CB VAL A 8 -10.616 -3.934 0.012 1.00 73.04 C ATOM 127 CG1 VAL A 8 -9.304 -4.765 -0.092 1.00 74.04 C ATOM 128 CG2 VAL A 8 -11.621 -4.304 -1.103 1.00 3.51 C ATOM 0 H VAL A 8 -9.715 -4.009 2.875 1.00 73.31 H new ATOM 0 HA VAL A 8 -12.229 -3.515 1.438 1.00 34.14 H new ATOM 0 HB VAL A 8 -10.338 -2.890 -0.135 1.00 73.04 H new ATOM 0 HG11 VAL A 8 -8.886 -4.661 -1.093 1.00 74.04 H new ATOM 0 HG12 VAL A 8 -8.584 -4.402 0.641 1.00 74.04 H new ATOM 0 HG13 VAL A 8 -9.522 -5.815 0.103 1.00 74.04 H new ATOM 0 HG21 VAL A 8 -11.134 -4.219 -2.075 1.00 3.51 H new ATOM 0 HG22 VAL A 8 -11.965 -5.328 -0.958 1.00 3.51 H new ATOM 0 HG23 VAL A 8 -12.474 -3.626 -1.064 1.00 3.51 H new ATOM 138 N GLU A 9 -12.789 -6.005 1.445 1.00 33.42 N ATOM 139 CA GLU A 9 -13.221 -7.404 1.663 1.00 33.30 C ATOM 140 C GLU A 9 -12.884 -8.257 0.411 1.00 42.10 C ATOM 141 O GLU A 9 -13.458 -8.055 -0.664 1.00 1.51 O ATOM 142 CB GLU A 9 -14.752 -7.480 1.975 1.00 62.40 C ATOM 143 CG GLU A 9 -15.233 -6.659 3.203 1.00 24.33 C ATOM 144 CD GLU A 9 -15.267 -5.133 2.970 1.00 14.42 C ATOM 145 OE1 GLU A 9 -16.176 -4.650 2.267 1.00 62.31 O ATOM 146 OE2 GLU A 9 -14.375 -4.413 3.468 1.00 62.35 O ATOM 0 H GLU A 9 -13.502 -5.426 1.001 1.00 33.42 H new ATOM 0 HA GLU A 9 -12.684 -7.800 2.525 1.00 33.30 H new ATOM 0 HB2 GLU A 9 -15.300 -7.139 1.097 1.00 62.40 H new ATOM 0 HB3 GLU A 9 -15.020 -8.525 2.132 1.00 62.40 H new ATOM 0 HG2 GLU A 9 -16.232 -6.995 3.482 1.00 24.33 H new ATOM 0 HG3 GLU A 9 -14.578 -6.872 4.048 1.00 24.33 H new ATOM 153 N VAL A 10 -11.929 -9.185 0.565 1.00 61.34 N ATOM 154 CA VAL A 10 -11.410 -10.035 -0.531 1.00 31.45 C ATOM 155 C VAL A 10 -11.976 -11.475 -0.427 1.00 62.44 C ATOM 156 O VAL A 10 -11.932 -12.070 0.648 1.00 61.00 O ATOM 157 CB VAL A 10 -9.841 -10.080 -0.449 1.00 13.31 C ATOM 158 CG1 VAL A 10 -9.224 -10.948 -1.568 1.00 35.02 C ATOM 159 CG2 VAL A 10 -9.251 -8.651 -0.464 1.00 20.32 C ATOM 0 H VAL A 10 -11.485 -9.374 1.464 1.00 61.34 H new ATOM 0 HA VAL A 10 -11.724 -9.610 -1.484 1.00 31.45 H new ATOM 0 HB VAL A 10 -9.579 -10.551 0.498 1.00 13.31 H new ATOM 0 HG11 VAL A 10 -8.138 -10.949 -1.471 1.00 35.02 H new ATOM 0 HG12 VAL A 10 -9.597 -11.969 -1.484 1.00 35.02 H new ATOM 0 HG13 VAL A 10 -9.501 -10.539 -2.540 1.00 35.02 H new ATOM 0 HG21 VAL A 10 -8.164 -8.706 -0.406 1.00 20.32 H new ATOM 0 HG22 VAL A 10 -9.541 -8.147 -1.386 1.00 20.32 H new ATOM 0 HG23 VAL A 10 -9.632 -8.091 0.390 1.00 20.32 H new ATOM 169 N ALA A 11 -12.508 -12.025 -1.540 1.00 3.53 N ATOM 170 CA ALA A 11 -12.955 -13.436 -1.605 1.00 60.22 C ATOM 171 C ALA A 11 -11.749 -14.397 -1.817 1.00 3.44 C ATOM 172 O ALA A 11 -11.555 -14.949 -2.908 1.00 21.40 O ATOM 173 CB ALA A 11 -14.031 -13.593 -2.705 1.00 3.53 C ATOM 0 H ALA A 11 -12.639 -11.511 -2.411 1.00 3.53 H new ATOM 0 HA ALA A 11 -13.407 -13.713 -0.652 1.00 60.22 H new ATOM 0 HB1 ALA A 11 -14.357 -14.632 -2.749 1.00 3.53 H new ATOM 0 HB2 ALA A 11 -14.884 -12.955 -2.474 1.00 3.53 H new ATOM 0 HB3 ALA A 11 -13.612 -13.303 -3.668 1.00 3.53 H new ATOM 179 N ALA A 12 -10.929 -14.549 -0.754 1.00 42.42 N ATOM 180 CA ALA A 12 -9.696 -15.375 -0.765 1.00 73.42 C ATOM 181 C ALA A 12 -9.100 -15.513 0.662 1.00 62.21 C ATOM 182 O ALA A 12 -9.331 -14.641 1.517 1.00 1.40 O ATOM 183 CB ALA A 12 -8.639 -14.764 -1.704 1.00 31.20 C ATOM 0 H ALA A 12 -11.104 -14.099 0.145 1.00 42.42 H new ATOM 0 HA ALA A 12 -9.970 -16.365 -1.128 1.00 73.42 H new ATOM 0 HB1 ALA A 12 -7.743 -15.385 -1.697 1.00 31.20 H new ATOM 0 HB2 ALA A 12 -9.038 -14.714 -2.717 1.00 31.20 H new ATOM 0 HB3 ALA A 12 -8.387 -13.760 -1.363 1.00 31.20 H new ATOM 189 N PRO A 13 -8.332 -16.619 0.941 1.00 30.33 N ATOM 190 CA PRO A 13 -7.508 -16.739 2.172 1.00 34.32 C ATOM 191 C PRO A 13 -6.366 -15.680 2.215 1.00 22.23 C ATOM 192 O PRO A 13 -5.695 -15.443 1.199 1.00 23.53 O ATOM 193 CB PRO A 13 -6.939 -18.190 2.099 1.00 33.24 C ATOM 194 CG PRO A 13 -7.805 -18.900 1.096 1.00 23.33 C ATOM 195 CD PRO A 13 -8.231 -17.845 0.109 1.00 32.31 C ATOM 0 HA PRO A 13 -8.088 -16.558 3.077 1.00 34.32 H new ATOM 0 HB2 PRO A 13 -5.895 -18.189 1.787 1.00 33.24 H new ATOM 0 HB3 PRO A 13 -6.981 -18.679 3.072 1.00 33.24 H new ATOM 0 HG2 PRO A 13 -7.255 -19.701 0.601 1.00 23.33 H new ATOM 0 HG3 PRO A 13 -8.669 -19.357 1.578 1.00 23.33 H new ATOM 0 HD2 PRO A 13 -7.503 -17.728 -0.694 1.00 32.31 H new ATOM 0 HD3 PRO A 13 -9.184 -18.093 -0.359 1.00 32.31 H new ATOM 203 N ALA A 14 -6.175 -15.053 3.399 1.00 30.52 N ATOM 204 CA ALA A 14 -5.167 -13.976 3.639 1.00 71.11 C ATOM 205 C ALA A 14 -3.730 -14.317 3.156 1.00 21.41 C ATOM 206 O ALA A 14 -2.983 -13.424 2.752 1.00 42.12 O ATOM 207 CB ALA A 14 -5.152 -13.618 5.138 1.00 4.04 C ATOM 0 H ALA A 14 -6.721 -15.279 4.231 1.00 30.52 H new ATOM 0 HA ALA A 14 -5.480 -13.124 3.036 1.00 71.11 H new ATOM 0 HB1 ALA A 14 -4.418 -12.833 5.317 1.00 4.04 H new ATOM 0 HB2 ALA A 14 -6.139 -13.267 5.438 1.00 4.04 H new ATOM 0 HB3 ALA A 14 -4.888 -14.501 5.720 1.00 4.04 H new ATOM 213 N ALA A 15 -3.353 -15.601 3.236 1.00 14.34 N ATOM 214 CA ALA A 15 -2.021 -16.085 2.798 1.00 62.13 C ATOM 215 C ALA A 15 -1.783 -15.880 1.279 1.00 72.24 C ATOM 216 O ALA A 15 -0.710 -15.411 0.869 1.00 14.44 O ATOM 217 CB ALA A 15 -1.857 -17.563 3.177 1.00 12.43 C ATOM 0 H ALA A 15 -3.955 -16.337 3.604 1.00 14.34 H new ATOM 0 HA ALA A 15 -1.268 -15.489 3.314 1.00 62.13 H new ATOM 0 HB1 ALA A 15 -0.877 -17.915 2.854 1.00 12.43 H new ATOM 0 HB2 ALA A 15 -1.944 -17.673 4.258 1.00 12.43 H new ATOM 0 HB3 ALA A 15 -2.633 -18.152 2.689 1.00 12.43 H new ATOM 223 N ASP A 16 -2.776 -16.275 0.454 1.00 12.34 N ATOM 224 CA ASP A 16 -2.751 -16.051 -1.016 1.00 71.53 C ATOM 225 C ASP A 16 -2.581 -14.557 -1.365 1.00 24.45 C ATOM 226 O ASP A 16 -1.803 -14.190 -2.250 1.00 41.32 O ATOM 227 CB ASP A 16 -4.055 -16.588 -1.649 1.00 71.23 C ATOM 228 CG ASP A 16 -4.191 -18.106 -1.490 1.00 13.15 C ATOM 229 OD1 ASP A 16 -4.699 -18.561 -0.448 1.00 2.12 O ATOM 230 OD2 ASP A 16 -3.770 -18.856 -2.400 1.00 72.15 O ATOM 0 H ASP A 16 -3.614 -16.755 0.781 1.00 12.34 H new ATOM 0 HA ASP A 16 -1.893 -16.588 -1.420 1.00 71.53 H new ATOM 0 HB2 ASP A 16 -4.911 -16.097 -1.186 1.00 71.23 H new ATOM 0 HB3 ASP A 16 -4.075 -16.332 -2.708 1.00 71.23 H new ATOM 235 N VAL A 17 -3.311 -13.713 -0.637 1.00 15.24 N ATOM 236 CA VAL A 17 -3.289 -12.249 -0.814 1.00 51.43 C ATOM 237 C VAL A 17 -1.929 -11.648 -0.360 1.00 40.32 C ATOM 238 O VAL A 17 -1.456 -10.657 -0.924 1.00 23.34 O ATOM 239 CB VAL A 17 -4.484 -11.583 -0.049 1.00 12.35 C ATOM 240 CG1 VAL A 17 -4.535 -10.061 -0.313 1.00 21.45 C ATOM 241 CG2 VAL A 17 -5.829 -12.268 -0.425 1.00 50.02 C ATOM 0 H VAL A 17 -3.943 -14.023 0.101 1.00 15.24 H new ATOM 0 HA VAL A 17 -3.404 -12.035 -1.877 1.00 51.43 H new ATOM 0 HB VAL A 17 -4.323 -11.725 1.020 1.00 12.35 H new ATOM 0 HG11 VAL A 17 -5.374 -9.625 0.230 1.00 21.45 H new ATOM 0 HG12 VAL A 17 -3.606 -9.602 0.025 1.00 21.45 H new ATOM 0 HG13 VAL A 17 -4.661 -9.881 -1.381 1.00 21.45 H new ATOM 0 HG21 VAL A 17 -6.645 -11.790 0.117 1.00 50.02 H new ATOM 0 HG22 VAL A 17 -6.000 -12.170 -1.497 1.00 50.02 H new ATOM 0 HG23 VAL A 17 -5.786 -13.324 -0.159 1.00 50.02 H new ATOM 251 N TRP A 18 -1.313 -12.248 0.679 1.00 2.40 N ATOM 252 CA TRP A 18 0.034 -11.842 1.141 1.00 51.04 C ATOM 253 C TRP A 18 1.137 -12.225 0.111 1.00 45.54 C ATOM 254 O TRP A 18 2.144 -11.537 0.000 1.00 71.41 O ATOM 255 CB TRP A 18 0.370 -12.421 2.547 1.00 45.42 C ATOM 256 CG TRP A 18 1.752 -12.006 3.030 1.00 45.52 C ATOM 257 CD1 TRP A 18 2.842 -12.805 3.243 1.00 3.10 C ATOM 258 CD2 TRP A 18 2.197 -10.658 3.285 1.00 12.03 C ATOM 259 NE1 TRP A 18 3.917 -12.039 3.616 1.00 33.32 N ATOM 260 CE2 TRP A 18 3.548 -10.726 3.653 1.00 62.21 C ATOM 261 CE3 TRP A 18 1.576 -9.408 3.240 1.00 23.14 C ATOM 262 CZ2 TRP A 18 4.293 -9.594 3.973 1.00 63.13 C ATOM 263 CZ3 TRP A 18 2.314 -8.279 3.554 1.00 34.30 C ATOM 264 CH2 TRP A 18 3.666 -8.383 3.916 1.00 0.43 C ATOM 0 H TRP A 18 -1.724 -13.013 1.214 1.00 2.40 H new ATOM 0 HA TRP A 18 0.016 -10.756 1.227 1.00 51.04 H new ATOM 0 HB2 TRP A 18 -0.379 -12.084 3.264 1.00 45.42 H new ATOM 0 HB3 TRP A 18 0.312 -13.509 2.512 1.00 45.42 H new ATOM 0 HD1 TRP A 18 2.854 -13.879 3.134 1.00 3.10 H new ATOM 0 HE1 TRP A 18 4.848 -12.396 3.832 1.00 33.32 H new ATOM 0 HE3 TRP A 18 0.535 -9.323 2.964 1.00 23.14 H new ATOM 0 HZ2 TRP A 18 5.332 -9.672 4.257 1.00 63.13 H new ATOM 0 HZ3 TRP A 18 1.844 -7.307 3.520 1.00 34.30 H new ATOM 0 HH2 TRP A 18 4.221 -7.488 4.154 1.00 0.43 H new ATOM 275 N THR A 19 0.943 -13.332 -0.628 1.00 12.14 N ATOM 276 CA THR A 19 1.856 -13.726 -1.743 1.00 43.10 C ATOM 277 C THR A 19 1.818 -12.667 -2.893 1.00 62.30 C ATOM 278 O THR A 19 2.789 -12.479 -3.634 1.00 1.43 O ATOM 279 CB THR A 19 1.474 -15.147 -2.295 1.00 15.43 C ATOM 280 OG1 THR A 19 1.452 -16.107 -1.223 1.00 11.43 O ATOM 281 CG2 THR A 19 2.445 -15.641 -3.385 1.00 15.01 C ATOM 0 H THR A 19 0.166 -13.976 -0.482 1.00 12.14 H new ATOM 0 HA THR A 19 2.872 -13.768 -1.350 1.00 43.10 H new ATOM 0 HB THR A 19 0.485 -15.051 -2.743 1.00 15.43 H new ATOM 0 HG1 THR A 19 0.738 -15.877 -0.593 1.00 11.43 H new ATOM 0 HG21 THR A 19 2.133 -16.627 -3.730 1.00 15.01 H new ATOM 0 HG22 THR A 19 2.437 -14.944 -4.223 1.00 15.01 H new ATOM 0 HG23 THR A 19 3.453 -15.702 -2.974 1.00 15.01 H new ATOM 289 N LEU A 20 0.677 -11.972 -2.989 1.00 43.21 N ATOM 290 CA LEU A 20 0.426 -10.895 -3.968 1.00 51.45 C ATOM 291 C LEU A 20 1.140 -9.562 -3.566 1.00 53.54 C ATOM 292 O LEU A 20 1.937 -9.019 -4.344 1.00 63.22 O ATOM 293 CB LEU A 20 -1.116 -10.721 -4.073 1.00 63.43 C ATOM 294 CG LEU A 20 -1.664 -9.510 -4.885 1.00 14.22 C ATOM 295 CD1 LEU A 20 -1.289 -9.591 -6.373 1.00 2.00 C ATOM 296 CD2 LEU A 20 -3.190 -9.393 -4.700 1.00 51.00 C ATOM 0 H LEU A 20 -0.119 -12.144 -2.375 1.00 43.21 H new ATOM 0 HA LEU A 20 0.842 -11.162 -4.939 1.00 51.45 H new ATOM 0 HB2 LEU A 20 -1.525 -11.630 -4.514 1.00 63.43 H new ATOM 0 HB3 LEU A 20 -1.513 -10.651 -3.060 1.00 63.43 H new ATOM 0 HG LEU A 20 -1.193 -8.608 -4.494 1.00 14.22 H new ATOM 0 HD11 LEU A 20 -1.693 -8.725 -6.898 1.00 2.00 H new ATOM 0 HD12 LEU A 20 -0.204 -9.603 -6.475 1.00 2.00 H new ATOM 0 HD13 LEU A 20 -1.704 -10.502 -6.804 1.00 2.00 H new ATOM 0 HD21 LEU A 20 -3.562 -8.543 -5.272 1.00 51.00 H new ATOM 0 HD22 LEU A 20 -3.670 -10.306 -5.053 1.00 51.00 H new ATOM 0 HD23 LEU A 20 -3.418 -9.247 -3.644 1.00 51.00 H new ATOM 308 N VAL A 21 0.849 -9.058 -2.343 1.00 42.20 N ATOM 309 CA VAL A 21 1.383 -7.747 -1.841 1.00 10.03 C ATOM 310 C VAL A 21 2.748 -7.874 -1.097 1.00 13.54 C ATOM 311 O VAL A 21 3.376 -6.857 -0.787 1.00 22.43 O ATOM 312 CB VAL A 21 0.352 -7.019 -0.890 1.00 62.15 C ATOM 313 CG1 VAL A 21 -0.952 -6.654 -1.637 1.00 64.45 C ATOM 314 CG2 VAL A 21 0.052 -7.868 0.369 1.00 53.45 C ATOM 0 H VAL A 21 0.244 -9.535 -1.674 1.00 42.20 H new ATOM 0 HA VAL A 21 1.543 -7.151 -2.740 1.00 10.03 H new ATOM 0 HB VAL A 21 0.815 -6.088 -0.563 1.00 62.15 H new ATOM 0 HG11 VAL A 21 -1.637 -6.155 -0.951 1.00 64.45 H new ATOM 0 HG12 VAL A 21 -0.721 -5.987 -2.468 1.00 64.45 H new ATOM 0 HG13 VAL A 21 -1.419 -7.562 -2.019 1.00 64.45 H new ATOM 0 HG21 VAL A 21 -0.660 -7.340 1.003 1.00 53.45 H new ATOM 0 HG22 VAL A 21 -0.371 -8.827 0.069 1.00 53.45 H new ATOM 0 HG23 VAL A 21 0.976 -8.036 0.923 1.00 53.45 H new ATOM 324 N GLY A 22 3.185 -9.116 -0.814 1.00 25.43 N ATOM 325 CA GLY A 22 4.434 -9.376 -0.063 1.00 34.25 C ATOM 326 C GLY A 22 5.704 -9.007 -0.832 1.00 34.15 C ATOM 327 O GLY A 22 6.749 -8.714 -0.231 1.00 50.51 O ATOM 0 H GLY A 22 2.689 -9.962 -1.095 1.00 25.43 H new ATOM 0 HA2 GLY A 22 4.409 -8.814 0.871 1.00 34.25 H new ATOM 0 HA3 GLY A 22 4.475 -10.433 0.202 1.00 34.25 H new ATOM 331 N ASP A 23 5.615 -9.070 -2.164 1.00 51.32 N ATOM 332 CA ASP A 23 6.666 -8.588 -3.068 1.00 15.41 C ATOM 333 C ASP A 23 6.565 -7.051 -3.237 1.00 1.52 C ATOM 334 O ASP A 23 5.638 -6.547 -3.890 1.00 1.44 O ATOM 335 CB ASP A 23 6.541 -9.279 -4.449 1.00 71.32 C ATOM 336 CG ASP A 23 6.771 -10.797 -4.406 1.00 3.22 C ATOM 337 OD1 ASP A 23 5.945 -11.518 -3.801 1.00 33.44 O ATOM 338 OD2 ASP A 23 7.786 -11.271 -4.968 1.00 3.13 O ATOM 0 H ASP A 23 4.807 -9.459 -2.649 1.00 51.32 H new ATOM 0 HA ASP A 23 7.636 -8.833 -2.635 1.00 15.41 H new ATOM 0 HB2 ASP A 23 5.548 -9.083 -4.854 1.00 71.32 H new ATOM 0 HB3 ASP A 23 7.260 -8.831 -5.135 1.00 71.32 H new ATOM 343 N PHE A 24 7.531 -6.322 -2.646 1.00 72.22 N ATOM 344 CA PHE A 24 7.649 -4.844 -2.777 1.00 23.33 C ATOM 345 C PHE A 24 7.813 -4.414 -4.273 1.00 71.54 C ATOM 346 O PHE A 24 7.445 -3.306 -4.660 1.00 51.55 O ATOM 347 CB PHE A 24 8.856 -4.376 -1.913 1.00 51.31 C ATOM 348 CG PHE A 24 9.024 -2.866 -1.743 1.00 41.24 C ATOM 349 CD1 PHE A 24 8.019 -2.100 -1.150 1.00 44.41 C ATOM 350 CD2 PHE A 24 10.191 -2.210 -2.150 1.00 12.24 C ATOM 351 CE1 PHE A 24 8.178 -0.742 -0.969 1.00 52.01 C ATOM 352 CE2 PHE A 24 10.344 -0.848 -1.967 1.00 70.51 C ATOM 353 CZ PHE A 24 9.337 -0.114 -1.381 1.00 55.23 C ATOM 0 H PHE A 24 8.257 -6.736 -2.061 1.00 72.22 H new ATOM 0 HA PHE A 24 6.736 -4.368 -2.420 1.00 23.33 H new ATOM 0 HB2 PHE A 24 8.762 -4.823 -0.923 1.00 51.31 H new ATOM 0 HB3 PHE A 24 9.769 -4.774 -2.357 1.00 51.31 H new ATOM 0 HD1 PHE A 24 7.105 -2.577 -0.829 1.00 44.41 H new ATOM 0 HD2 PHE A 24 10.985 -2.776 -2.614 1.00 12.24 H new ATOM 0 HE1 PHE A 24 7.392 -0.167 -0.503 1.00 52.01 H new ATOM 0 HE2 PHE A 24 11.254 -0.360 -2.284 1.00 70.51 H new ATOM 0 HZ PHE A 24 9.453 0.951 -1.244 1.00 55.23 H new ATOM 363 N SER A 25 8.331 -5.338 -5.106 1.00 64.13 N ATOM 364 CA SER A 25 8.546 -5.126 -6.563 1.00 21.42 C ATOM 365 C SER A 25 7.272 -5.370 -7.406 1.00 2.24 C ATOM 366 O SER A 25 7.015 -4.662 -8.393 1.00 31.05 O ATOM 367 CB SER A 25 9.662 -6.078 -7.057 1.00 34.22 C ATOM 368 OG SER A 25 9.909 -5.946 -8.447 1.00 75.22 O ATOM 0 H SER A 25 8.617 -6.264 -4.789 1.00 64.13 H new ATOM 0 HA SER A 25 8.828 -4.081 -6.694 1.00 21.42 H new ATOM 0 HB2 SER A 25 10.580 -5.873 -6.507 1.00 34.22 H new ATOM 0 HB3 SER A 25 9.381 -7.108 -6.837 1.00 34.22 H new ATOM 0 HG SER A 25 10.621 -6.564 -8.713 1.00 75.22 H new ATOM 374 N ALA A 26 6.438 -6.338 -6.980 1.00 15.54 N ATOM 375 CA ALA A 26 5.379 -6.934 -7.838 1.00 22.43 C ATOM 376 C ALA A 26 3.990 -6.354 -7.504 1.00 63.51 C ATOM 377 O ALA A 26 2.951 -6.955 -7.798 1.00 5.24 O ATOM 378 CB ALA A 26 5.406 -8.464 -7.703 1.00 13.03 C ATOM 0 H ALA A 26 6.473 -6.731 -6.039 1.00 15.54 H new ATOM 0 HA ALA A 26 5.581 -6.676 -8.877 1.00 22.43 H new ATOM 0 HB1 ALA A 26 4.629 -8.899 -8.332 1.00 13.03 H new ATOM 0 HB2 ALA A 26 6.380 -8.840 -8.017 1.00 13.03 H new ATOM 0 HB3 ALA A 26 5.228 -8.741 -6.664 1.00 13.03 H new ATOM 384 N ILE A 27 4.007 -5.145 -6.928 1.00 65.30 N ATOM 385 CA ILE A 27 2.806 -4.340 -6.631 1.00 54.22 C ATOM 386 C ILE A 27 1.946 -4.055 -7.908 1.00 64.31 C ATOM 387 O ILE A 27 0.731 -3.884 -7.820 1.00 12.34 O ATOM 388 CB ILE A 27 3.238 -3.005 -5.904 1.00 54.30 C ATOM 389 CG1 ILE A 27 2.000 -2.103 -5.606 1.00 32.20 C ATOM 390 CG2 ILE A 27 4.314 -2.244 -6.719 1.00 64.33 C ATOM 391 CD1 ILE A 27 2.242 -0.923 -4.680 1.00 34.02 C ATOM 0 H ILE A 27 4.873 -4.686 -6.648 1.00 65.30 H new ATOM 0 HA ILE A 27 2.163 -4.916 -5.965 1.00 54.22 H new ATOM 0 HB ILE A 27 3.686 -3.275 -4.948 1.00 54.30 H new ATOM 0 HG12 ILE A 27 1.616 -1.723 -6.553 1.00 32.20 H new ATOM 0 HG13 ILE A 27 1.218 -2.726 -5.172 1.00 32.20 H new ATOM 0 HG21 ILE A 27 4.590 -1.330 -6.193 1.00 64.33 H new ATOM 0 HG22 ILE A 27 5.195 -2.875 -6.837 1.00 64.33 H new ATOM 0 HG23 ILE A 27 3.915 -1.990 -7.701 1.00 64.33 H new ATOM 0 HD11 ILE A 27 1.313 -0.369 -4.546 1.00 34.02 H new ATOM 0 HD12 ILE A 27 2.592 -1.285 -3.713 1.00 34.02 H new ATOM 0 HD13 ILE A 27 2.996 -0.267 -5.116 1.00 34.02 H new ATOM 403 N HIS A 28 2.589 -4.084 -9.095 1.00 12.42 N ATOM 404 CA HIS A 28 1.911 -3.895 -10.412 1.00 21.15 C ATOM 405 C HIS A 28 0.895 -5.034 -10.781 1.00 35.24 C ATOM 406 O HIS A 28 0.211 -4.935 -11.800 1.00 53.31 O ATOM 407 CB HIS A 28 2.985 -3.720 -11.528 1.00 1.43 C ATOM 408 CG HIS A 28 4.034 -4.813 -11.600 1.00 71.21 C ATOM 409 ND1 HIS A 28 5.336 -4.639 -11.164 1.00 21.00 N ATOM 410 CD2 HIS A 28 3.981 -6.081 -12.084 1.00 52.13 C ATOM 411 CE1 HIS A 28 6.027 -5.742 -11.379 1.00 12.51 C ATOM 412 NE2 HIS A 28 5.230 -6.631 -11.933 1.00 61.01 N ATOM 0 H HIS A 28 3.594 -4.239 -9.176 1.00 12.42 H new ATOM 0 HA HIS A 28 1.306 -2.992 -10.328 1.00 21.15 H new ATOM 0 HB2 HIS A 28 2.478 -3.663 -12.491 1.00 1.43 H new ATOM 0 HB3 HIS A 28 3.489 -2.766 -11.377 1.00 1.43 H new ATOM 0 HD2 HIS A 28 3.116 -6.567 -12.509 1.00 52.13 H new ATOM 0 HE1 HIS A 28 7.070 -5.890 -11.141 1.00 12.51 H new ATOM 0 HE2 HIS A 28 5.497 -7.577 -12.206 1.00 61.01 H new ATOM 421 N ARG A 29 0.818 -6.104 -9.959 1.00 34.04 N ATOM 422 CA ARG A 29 -0.138 -7.235 -10.160 1.00 12.13 C ATOM 423 C ARG A 29 -1.574 -6.887 -9.687 1.00 32.05 C ATOM 424 O ARG A 29 -2.556 -7.457 -10.186 1.00 61.11 O ATOM 425 CB ARG A 29 0.371 -8.493 -9.399 1.00 32.12 C ATOM 426 CG ARG A 29 1.664 -9.120 -9.969 1.00 54.05 C ATOM 427 CD ARG A 29 2.384 -10.046 -8.959 1.00 72.03 C ATOM 428 NE ARG A 29 1.545 -11.143 -8.444 1.00 31.21 N ATOM 429 CZ ARG A 29 1.811 -11.863 -7.366 1.00 10.13 C ATOM 430 NH1 ARG A 29 2.809 -11.574 -6.577 1.00 33.40 N ATOM 431 NH2 ARG A 29 1.047 -12.855 -7.062 1.00 33.14 N ATOM 0 H ARG A 29 1.412 -6.215 -9.137 1.00 34.04 H new ATOM 0 HA ARG A 29 -0.186 -7.434 -11.231 1.00 12.13 H new ATOM 0 HB2 ARG A 29 0.544 -8.224 -8.357 1.00 32.12 H new ATOM 0 HB3 ARG A 29 -0.416 -9.248 -9.407 1.00 32.12 H new ATOM 0 HG2 ARG A 29 1.420 -9.690 -10.866 1.00 54.05 H new ATOM 0 HG3 ARG A 29 2.344 -8.324 -10.272 1.00 54.05 H new ATOM 0 HD2 ARG A 29 3.266 -10.472 -9.438 1.00 72.03 H new ATOM 0 HD3 ARG A 29 2.735 -9.446 -8.119 1.00 72.03 H new ATOM 0 HE ARG A 29 0.693 -11.365 -8.959 1.00 31.21 H new ATOM 0 HH11 ARG A 29 3.408 -10.775 -6.784 1.00 33.40 H new ATOM 0 HH12 ARG A 29 2.990 -12.147 -5.753 1.00 33.40 H new ATOM 0 HH21 ARG A 29 0.245 -13.080 -7.650 1.00 33.14 H new ATOM 0 HH22 ARG A 29 1.244 -13.415 -6.233 1.00 33.14 H new ATOM 445 N TRP A 30 -1.686 -5.965 -8.708 1.00 30.13 N ATOM 446 CA TRP A 30 -2.987 -5.560 -8.110 1.00 50.35 C ATOM 447 C TRP A 30 -3.225 -4.042 -8.256 1.00 34.41 C ATOM 448 O TRP A 30 -4.372 -3.588 -8.333 1.00 45.31 O ATOM 449 CB TRP A 30 -3.054 -5.980 -6.616 1.00 70.12 C ATOM 450 CG TRP A 30 -1.988 -5.367 -5.727 1.00 53.12 C ATOM 451 CD1 TRP A 30 -0.689 -5.774 -5.594 1.00 4.04 C ATOM 452 CD2 TRP A 30 -2.144 -4.246 -4.837 1.00 31.10 C ATOM 453 NE1 TRP A 30 -0.037 -4.972 -4.696 1.00 4.43 N ATOM 454 CE2 TRP A 30 -0.908 -4.038 -4.211 1.00 74.35 C ATOM 455 CE3 TRP A 30 -3.211 -3.411 -4.506 1.00 61.35 C ATOM 456 CZ2 TRP A 30 -0.702 -3.019 -3.283 1.00 45.02 C ATOM 457 CZ3 TRP A 30 -3.010 -2.402 -3.584 1.00 32.14 C ATOM 458 CH2 TRP A 30 -1.763 -2.220 -2.976 1.00 44.25 C ATOM 0 H TRP A 30 -0.884 -5.479 -8.307 1.00 30.13 H new ATOM 0 HA TRP A 30 -3.778 -6.076 -8.654 1.00 50.35 H new ATOM 0 HB2 TRP A 30 -4.034 -5.709 -6.222 1.00 70.12 H new ATOM 0 HB3 TRP A 30 -2.975 -7.065 -6.556 1.00 70.12 H new ATOM 0 HD1 TRP A 30 -0.243 -6.605 -6.120 1.00 4.04 H new ATOM 0 HE1 TRP A 30 0.944 -5.058 -4.431 1.00 4.43 H new ATOM 0 HE3 TRP A 30 -4.179 -3.551 -4.963 1.00 61.35 H new ATOM 0 HZ2 TRP A 30 0.264 -2.868 -2.823 1.00 45.02 H new ATOM 0 HZ3 TRP A 30 -3.827 -1.744 -3.329 1.00 32.14 H new ATOM 0 HH2 TRP A 30 -1.639 -1.431 -2.249 1.00 44.25 H new ATOM 469 N HIS A 31 -2.127 -3.262 -8.278 1.00 2.33 N ATOM 470 CA HIS A 31 -2.180 -1.793 -8.365 1.00 61.44 C ATOM 471 C HIS A 31 -2.036 -1.342 -9.850 1.00 13.42 C ATOM 472 O HIS A 31 -0.957 -1.507 -10.437 1.00 12.51 O ATOM 473 CB HIS A 31 -1.082 -1.155 -7.481 1.00 12.40 C ATOM 474 CG HIS A 31 -1.453 0.216 -7.013 1.00 33.34 C ATOM 475 ND1 HIS A 31 -1.244 1.329 -7.784 1.00 11.41 N ATOM 476 CD2 HIS A 31 -2.092 0.576 -5.882 1.00 11.10 C ATOM 477 CE1 HIS A 31 -1.765 2.329 -7.105 1.00 32.04 C ATOM 478 NE2 HIS A 31 -2.286 1.923 -5.948 1.00 1.23 N ATOM 0 H HIS A 31 -1.178 -3.635 -8.236 1.00 2.33 H new ATOM 0 HA HIS A 31 -3.146 -1.452 -7.993 1.00 61.44 H new ATOM 0 HB2 HIS A 31 -0.898 -1.794 -6.617 1.00 12.40 H new ATOM 0 HB3 HIS A 31 -0.150 -1.104 -8.044 1.00 12.40 H new ATOM 0 HD2 HIS A 31 -2.393 -0.078 -5.077 1.00 11.10 H new ATOM 0 HE1 HIS A 31 -1.770 3.354 -7.445 1.00 32.04 H new ATOM 0 HE2 HIS A 31 -2.742 2.507 -5.247 1.00 1.23 H new ATOM 486 N PRO A 32 -3.122 -0.771 -10.477 1.00 12.32 N ATOM 487 CA PRO A 32 -3.136 -0.414 -11.934 1.00 22.55 C ATOM 488 C PRO A 32 -2.156 0.728 -12.328 1.00 71.12 C ATOM 489 O PRO A 32 -1.767 0.843 -13.494 1.00 35.25 O ATOM 490 CB PRO A 32 -4.614 0.021 -12.170 1.00 1.31 C ATOM 491 CG PRO A 32 -5.099 0.463 -10.824 1.00 60.11 C ATOM 492 CD PRO A 32 -4.430 -0.459 -9.833 1.00 53.05 C ATOM 0 HA PRO A 32 -2.802 -1.252 -12.546 1.00 22.55 H new ATOM 0 HB2 PRO A 32 -4.678 0.829 -12.899 1.00 1.31 H new ATOM 0 HB3 PRO A 32 -5.213 -0.804 -12.556 1.00 1.31 H new ATOM 0 HG2 PRO A 32 -4.834 1.503 -10.633 1.00 60.11 H new ATOM 0 HG3 PRO A 32 -6.185 0.393 -10.755 1.00 60.11 H new ATOM 0 HD2 PRO A 32 -4.296 0.022 -8.864 1.00 53.05 H new ATOM 0 HD3 PRO A 32 -5.019 -1.360 -9.662 1.00 53.05 H new ATOM 500 N GLN A 33 -1.765 1.557 -11.351 1.00 3.13 N ATOM 501 CA GLN A 33 -0.997 2.802 -11.602 1.00 60.44 C ATOM 502 C GLN A 33 0.523 2.549 -11.652 1.00 4.35 C ATOM 503 O GLN A 33 1.263 3.326 -12.268 1.00 23.22 O ATOM 504 CB GLN A 33 -1.340 3.824 -10.495 1.00 32.11 C ATOM 505 CG GLN A 33 -2.860 4.099 -10.366 1.00 13.34 C ATOM 506 CD GLN A 33 -3.270 4.650 -9.005 1.00 62.42 C ATOM 507 OE1 GLN A 33 -2.562 5.431 -8.381 1.00 34.44 O ATOM 508 NE2 GLN A 33 -4.383 4.166 -8.501 1.00 13.03 N ATOM 0 H GLN A 33 -1.967 1.392 -10.365 1.00 3.13 H new ATOM 0 HA GLN A 33 -1.279 3.193 -12.579 1.00 60.44 H new ATOM 0 HB2 GLN A 33 -0.962 3.457 -9.541 1.00 32.11 H new ATOM 0 HB3 GLN A 33 -0.824 4.762 -10.703 1.00 32.11 H new ATOM 0 HG2 GLN A 33 -3.159 4.806 -11.140 1.00 13.34 H new ATOM 0 HG3 GLN A 33 -3.405 3.173 -10.552 1.00 13.34 H new ATOM 0 HE21 GLN A 33 -4.950 3.517 -9.047 1.00 13.03 H new ATOM 0 HE22 GLN A 33 -4.680 4.439 -7.564 1.00 13.03 H new ATOM 517 N VAL A 34 0.980 1.472 -10.984 1.00 53.14 N ATOM 518 CA VAL A 34 2.401 1.084 -10.984 1.00 14.24 C ATOM 519 C VAL A 34 2.851 0.604 -12.392 1.00 34.23 C ATOM 520 O VAL A 34 2.332 -0.380 -12.926 1.00 50.50 O ATOM 521 CB VAL A 34 2.684 -0.023 -9.912 1.00 63.22 C ATOM 522 CG1 VAL A 34 4.167 -0.463 -9.935 1.00 10.02 C ATOM 523 CG2 VAL A 34 2.255 0.461 -8.502 1.00 64.31 C ATOM 0 H VAL A 34 0.382 0.854 -10.436 1.00 53.14 H new ATOM 0 HA VAL A 34 2.982 1.968 -10.723 1.00 14.24 H new ATOM 0 HB VAL A 34 2.086 -0.899 -10.162 1.00 63.22 H new ATOM 0 HG11 VAL A 34 4.330 -1.232 -9.180 1.00 10.02 H new ATOM 0 HG12 VAL A 34 4.413 -0.863 -10.919 1.00 10.02 H new ATOM 0 HG13 VAL A 34 4.805 0.395 -9.723 1.00 10.02 H new ATOM 0 HG21 VAL A 34 2.459 -0.321 -7.771 1.00 64.31 H new ATOM 0 HG22 VAL A 34 2.815 1.358 -8.239 1.00 64.31 H new ATOM 0 HG23 VAL A 34 1.189 0.687 -8.504 1.00 64.31 H new ATOM 533 N SER A 35 3.851 1.307 -12.955 1.00 4.25 N ATOM 534 CA SER A 35 4.328 1.117 -14.353 1.00 64.10 C ATOM 535 C SER A 35 5.438 0.038 -14.476 1.00 53.13 C ATOM 536 O SER A 35 6.188 0.040 -15.459 1.00 75.35 O ATOM 537 CB SER A 35 4.872 2.474 -14.869 1.00 23.01 C ATOM 538 OG SER A 35 3.910 3.509 -14.727 1.00 53.31 O ATOM 0 H SER A 35 4.362 2.033 -12.453 1.00 4.25 H new ATOM 0 HA SER A 35 3.485 0.768 -14.949 1.00 64.10 H new ATOM 0 HB2 SER A 35 5.775 2.738 -14.319 1.00 23.01 H new ATOM 0 HB3 SER A 35 5.154 2.379 -15.918 1.00 23.01 H new ATOM 0 HG SER A 35 4.284 4.351 -15.060 1.00 53.31 H new ATOM 544 N ALA A 36 5.489 -0.901 -13.500 1.00 71.11 N ATOM 545 CA ALA A 36 6.602 -1.874 -13.324 1.00 51.42 C ATOM 546 C ALA A 36 7.936 -1.124 -12.993 1.00 70.23 C ATOM 547 O ALA A 36 8.627 -0.646 -13.896 1.00 72.43 O ATOM 548 CB ALA A 36 6.743 -2.833 -14.534 1.00 3.04 C ATOM 0 H ALA A 36 4.751 -1.008 -12.804 1.00 71.11 H new ATOM 0 HA ALA A 36 6.360 -2.511 -12.473 1.00 51.42 H new ATOM 0 HB1 ALA A 36 7.568 -3.523 -14.357 1.00 3.04 H new ATOM 0 HB2 ALA A 36 5.819 -3.397 -14.661 1.00 3.04 H new ATOM 0 HB3 ALA A 36 6.941 -2.254 -15.436 1.00 3.04 H new ATOM 554 N PRO A 37 8.292 -0.984 -11.670 1.00 54.43 N ATOM 555 CA PRO A 37 9.420 -0.123 -11.212 1.00 54.02 C ATOM 556 C PRO A 37 10.821 -0.804 -11.231 1.00 74.42 C ATOM 557 O PRO A 37 10.965 -1.983 -11.576 1.00 32.14 O ATOM 558 CB PRO A 37 8.978 0.207 -9.771 1.00 15.13 C ATOM 559 CG PRO A 37 8.313 -1.057 -9.298 1.00 52.22 C ATOM 560 CD PRO A 37 7.624 -1.649 -10.516 1.00 22.42 C ATOM 0 HA PRO A 37 9.574 0.733 -11.869 1.00 54.02 H new ATOM 0 HB2 PRO A 37 9.829 0.470 -9.143 1.00 15.13 H new ATOM 0 HB3 PRO A 37 8.291 1.053 -9.748 1.00 15.13 H new ATOM 0 HG2 PRO A 37 9.045 -1.753 -8.887 1.00 52.22 H new ATOM 0 HG3 PRO A 37 7.594 -0.847 -8.507 1.00 52.22 H new ATOM 0 HD2 PRO A 37 7.745 -2.732 -10.555 1.00 22.42 H new ATOM 0 HD3 PRO A 37 6.553 -1.448 -10.505 1.00 22.42 H new ATOM 568 N THR A 38 11.841 -0.019 -10.842 1.00 25.23 N ATOM 569 CA THR A 38 13.246 -0.475 -10.714 1.00 22.22 C ATOM 570 C THR A 38 13.590 -0.723 -9.228 1.00 30.44 C ATOM 571 O THR A 38 13.441 0.171 -8.394 1.00 4.21 O ATOM 572 CB THR A 38 14.238 0.587 -11.313 1.00 40.40 C ATOM 573 OG1 THR A 38 13.969 0.760 -12.715 1.00 72.44 O ATOM 574 CG2 THR A 38 15.723 0.202 -11.119 1.00 1.32 C ATOM 0 H THR A 38 11.716 0.965 -10.603 1.00 25.23 H new ATOM 0 HA THR A 38 13.352 -1.405 -11.273 1.00 22.22 H new ATOM 0 HB THR A 38 14.073 1.518 -10.771 1.00 40.40 H new ATOM 0 HG1 THR A 38 14.587 1.424 -13.087 1.00 72.44 H new ATOM 0 HG21 THR A 38 16.359 0.974 -11.553 1.00 1.32 H new ATOM 0 HG22 THR A 38 15.939 0.110 -10.055 1.00 1.32 H new ATOM 0 HG23 THR A 38 15.920 -0.750 -11.612 1.00 1.32 H new ATOM 582 N LEU A 39 14.054 -1.943 -8.910 1.00 13.14 N ATOM 583 CA LEU A 39 14.462 -2.333 -7.534 1.00 71.54 C ATOM 584 C LEU A 39 15.997 -2.459 -7.446 1.00 54.11 C ATOM 585 O LEU A 39 16.635 -3.033 -8.331 1.00 2.45 O ATOM 586 CB LEU A 39 13.757 -3.662 -7.088 1.00 63.32 C ATOM 587 CG LEU A 39 12.359 -3.516 -6.394 1.00 71.52 C ATOM 588 CD1 LEU A 39 12.479 -2.833 -5.020 1.00 12.23 C ATOM 589 CD2 LEU A 39 11.338 -2.786 -7.294 1.00 20.15 C ATOM 0 H LEU A 39 14.160 -2.692 -9.594 1.00 13.14 H new ATOM 0 HA LEU A 39 14.143 -1.549 -6.847 1.00 71.54 H new ATOM 0 HB2 LEU A 39 13.637 -4.295 -7.967 1.00 63.32 H new ATOM 0 HB3 LEU A 39 14.423 -4.188 -6.405 1.00 63.32 H new ATOM 0 HG LEU A 39 11.981 -4.525 -6.231 1.00 71.52 H new ATOM 0 HD11 LEU A 39 11.491 -2.749 -4.568 1.00 12.23 H new ATOM 0 HD12 LEU A 39 13.124 -3.428 -4.373 1.00 12.23 H new ATOM 0 HD13 LEU A 39 12.907 -1.838 -5.144 1.00 12.23 H new ATOM 0 HD21 LEU A 39 10.384 -2.708 -6.773 1.00 20.15 H new ATOM 0 HD22 LEU A 39 11.707 -1.787 -7.527 1.00 20.15 H new ATOM 0 HD23 LEU A 39 11.201 -3.347 -8.218 1.00 20.15 H new ATOM 601 N ARG A 40 16.579 -1.911 -6.367 1.00 43.23 N ATOM 602 CA ARG A 40 18.039 -1.978 -6.100 1.00 24.33 C ATOM 603 C ARG A 40 18.307 -2.311 -4.611 1.00 54.52 C ATOM 604 O ARG A 40 17.497 -1.978 -3.738 1.00 24.31 O ATOM 605 CB ARG A 40 18.752 -0.642 -6.489 1.00 13.32 C ATOM 606 CG ARG A 40 18.168 0.632 -5.812 1.00 22.03 C ATOM 607 CD ARG A 40 17.026 1.300 -6.617 1.00 63.25 C ATOM 608 NE ARG A 40 17.538 2.140 -7.711 1.00 31.04 N ATOM 609 CZ ARG A 40 17.761 3.439 -7.634 1.00 1.23 C ATOM 610 NH1 ARG A 40 17.587 4.097 -6.519 1.00 52.41 N ATOM 611 NH2 ARG A 40 18.179 4.076 -8.674 1.00 32.13 N ATOM 0 H ARG A 40 16.057 -1.407 -5.650 1.00 43.23 H new ATOM 0 HA ARG A 40 18.451 -2.775 -6.720 1.00 24.33 H new ATOM 0 HB2 ARG A 40 19.808 -0.722 -6.231 1.00 13.32 H new ATOM 0 HB3 ARG A 40 18.697 -0.519 -7.571 1.00 13.32 H new ATOM 0 HG2 ARG A 40 17.796 0.368 -4.822 1.00 22.03 H new ATOM 0 HG3 ARG A 40 18.970 1.356 -5.668 1.00 22.03 H new ATOM 0 HD2 ARG A 40 16.373 0.529 -7.027 1.00 63.25 H new ATOM 0 HD3 ARG A 40 16.419 1.909 -5.947 1.00 63.25 H new ATOM 0 HE ARG A 40 17.737 1.682 -8.600 1.00 31.04 H new ATOM 0 HH11 ARG A 40 17.272 3.607 -5.682 1.00 52.41 H new ATOM 0 HH12 ARG A 40 17.766 5.101 -6.486 1.00 52.41 H new ATOM 0 HH21 ARG A 40 18.335 3.576 -9.549 1.00 32.13 H new ATOM 0 HH22 ARG A 40 18.353 5.080 -8.621 1.00 32.13 H new ATOM 625 N GLY A 41 19.507 -2.864 -4.342 1.00 24.52 N ATOM 626 CA GLY A 41 19.903 -3.442 -3.034 1.00 60.50 C ATOM 627 C GLY A 41 18.915 -4.421 -2.347 1.00 14.13 C ATOM 628 O GLY A 41 17.713 -4.441 -2.629 1.00 53.40 O ATOM 0 H GLY A 41 20.247 -2.924 -5.041 1.00 24.52 H new ATOM 0 HA2 GLY A 41 20.850 -3.964 -3.171 1.00 60.50 H new ATOM 0 HA3 GLY A 41 20.090 -2.617 -2.346 1.00 60.50 H new ATOM 632 N ALA A 42 19.475 -5.261 -1.440 1.00 45.14 N ATOM 633 CA ALA A 42 18.725 -6.254 -0.631 1.00 11.42 C ATOM 634 C ALA A 42 17.875 -7.243 -1.495 1.00 2.54 C ATOM 635 O ALA A 42 18.434 -8.185 -2.071 1.00 51.24 O ATOM 636 CB ALA A 42 17.893 -5.542 0.462 1.00 71.21 C ATOM 0 H ALA A 42 20.477 -5.267 -1.248 1.00 45.14 H new ATOM 0 HA ALA A 42 19.459 -6.887 -0.133 1.00 11.42 H new ATOM 0 HB1 ALA A 42 17.349 -6.284 1.046 1.00 71.21 H new ATOM 0 HB2 ALA A 42 18.558 -4.980 1.118 1.00 71.21 H new ATOM 0 HB3 ALA A 42 17.185 -4.859 -0.007 1.00 71.21 H new ATOM 642 N SER A 43 16.550 -6.968 -1.622 1.00 13.22 N ATOM 643 CA SER A 43 15.543 -7.844 -2.296 1.00 61.13 C ATOM 644 C SER A 43 14.115 -7.281 -2.035 1.00 71.50 C ATOM 645 O SER A 43 13.890 -6.682 -0.984 1.00 62.20 O ATOM 646 CB SER A 43 15.612 -9.320 -1.787 1.00 2.22 C ATOM 647 OG SER A 43 14.537 -10.113 -2.276 1.00 55.30 O ATOM 0 H SER A 43 16.138 -6.112 -1.251 1.00 13.22 H new ATOM 0 HA SER A 43 15.768 -7.847 -3.362 1.00 61.13 H new ATOM 0 HB2 SER A 43 16.558 -9.764 -2.097 1.00 2.22 H new ATOM 0 HB3 SER A 43 15.598 -9.327 -0.697 1.00 2.22 H new ATOM 0 HG SER A 43 14.623 -11.027 -1.933 1.00 55.30 H new ATOM 653 N PRO A 44 13.114 -7.459 -2.973 1.00 43.11 N ATOM 654 CA PRO A 44 11.685 -7.054 -2.735 1.00 3.12 C ATOM 655 C PRO A 44 11.055 -7.662 -1.439 1.00 63.33 C ATOM 656 O PRO A 44 10.038 -7.171 -0.939 1.00 34.40 O ATOM 657 CB PRO A 44 10.949 -7.567 -4.009 1.00 32.41 C ATOM 658 CG PRO A 44 11.904 -8.530 -4.659 1.00 33.24 C ATOM 659 CD PRO A 44 13.284 -8.004 -4.346 1.00 4.32 C ATOM 0 HA PRO A 44 11.604 -5.979 -2.575 1.00 3.12 H new ATOM 0 HB2 PRO A 44 10.011 -8.058 -3.750 1.00 32.41 H new ATOM 0 HB3 PRO A 44 10.704 -6.744 -4.680 1.00 32.41 H new ATOM 0 HG2 PRO A 44 11.771 -9.539 -4.268 1.00 33.24 H new ATOM 0 HG3 PRO A 44 11.738 -8.581 -5.735 1.00 33.24 H new ATOM 0 HD2 PRO A 44 14.036 -8.792 -4.380 1.00 4.32 H new ATOM 0 HD3 PRO A 44 13.596 -7.235 -5.053 1.00 4.32 H new ATOM 667 N HIS A 45 11.657 -8.750 -0.925 1.00 2.22 N ATOM 668 CA HIS A 45 11.246 -9.388 0.348 1.00 72.32 C ATOM 669 C HIS A 45 12.159 -8.952 1.522 1.00 23.53 C ATOM 670 O HIS A 45 11.710 -8.906 2.673 1.00 11.33 O ATOM 671 CB HIS A 45 11.266 -10.925 0.196 1.00 31.12 C ATOM 672 CG HIS A 45 10.200 -11.462 -0.726 1.00 72.01 C ATOM 673 ND1 HIS A 45 9.070 -12.103 -0.268 1.00 74.13 N ATOM 674 CD2 HIS A 45 10.088 -11.437 -2.075 1.00 2.21 C ATOM 675 CE1 HIS A 45 8.312 -12.445 -1.282 1.00 1.21 C ATOM 676 NE2 HIS A 45 8.905 -12.056 -2.389 1.00 51.41 N ATOM 0 H HIS A 45 12.444 -9.215 -1.378 1.00 2.22 H new ATOM 0 HA HIS A 45 10.232 -9.061 0.578 1.00 72.32 H new ATOM 0 HB2 HIS A 45 12.243 -11.231 -0.178 1.00 31.12 H new ATOM 0 HB3 HIS A 45 11.144 -11.379 1.179 1.00 31.12 H new ATOM 0 HD2 HIS A 45 10.795 -11.011 -2.771 1.00 2.21 H new ATOM 0 HE1 HIS A 45 7.364 -12.958 -1.219 1.00 1.21 H new ATOM 0 HE2 HIS A 45 8.543 -12.193 -3.333 1.00 51.41 H new ATOM 685 N THR A 46 13.440 -8.649 1.232 1.00 62.02 N ATOM 686 CA THR A 46 14.435 -8.245 2.265 1.00 0.13 C ATOM 687 C THR A 46 14.413 -6.699 2.492 1.00 32.35 C ATOM 688 O THR A 46 14.623 -5.939 1.540 1.00 42.03 O ATOM 689 CB THR A 46 15.890 -8.687 1.868 1.00 13.42 C ATOM 690 OG1 THR A 46 15.925 -10.100 1.593 1.00 24.52 O ATOM 691 CG2 THR A 46 16.928 -8.366 2.966 1.00 34.51 C ATOM 0 H THR A 46 13.819 -8.675 0.285 1.00 62.02 H new ATOM 0 HA THR A 46 14.153 -8.749 3.189 1.00 0.13 H new ATOM 0 HB THR A 46 16.155 -8.119 0.976 1.00 13.42 H new ATOM 0 HG1 THR A 46 16.836 -10.363 1.345 1.00 24.52 H new ATOM 0 HG21 THR A 46 17.916 -8.692 2.640 1.00 34.51 H new ATOM 0 HG22 THR A 46 16.943 -7.292 3.150 1.00 34.51 H new ATOM 0 HG23 THR A 46 16.659 -8.887 3.885 1.00 34.51 H new ATOM 699 N PRO A 47 14.127 -6.216 3.753 1.00 13.42 N ATOM 700 CA PRO A 47 14.179 -4.767 4.125 1.00 73.00 C ATOM 701 C PRO A 47 15.445 -4.009 3.626 1.00 21.41 C ATOM 702 O PRO A 47 16.574 -4.473 3.819 1.00 62.15 O ATOM 703 CB PRO A 47 14.138 -4.811 5.670 1.00 13.22 C ATOM 704 CG PRO A 47 13.340 -6.041 5.984 1.00 3.23 C ATOM 705 CD PRO A 47 13.678 -7.047 4.905 1.00 65.11 C ATOM 0 HA PRO A 47 13.364 -4.214 3.658 1.00 73.00 H new ATOM 0 HB2 PRO A 47 15.141 -4.869 6.093 1.00 13.22 H new ATOM 0 HB3 PRO A 47 13.669 -3.917 6.081 1.00 13.22 H new ATOM 0 HG2 PRO A 47 13.593 -6.428 6.971 1.00 3.23 H new ATOM 0 HG3 PRO A 47 12.272 -5.822 5.992 1.00 3.23 H new ATOM 0 HD2 PRO A 47 14.461 -7.731 5.231 1.00 65.11 H new ATOM 0 HD3 PRO A 47 12.812 -7.655 4.643 1.00 65.11 H new ATOM 713 N GLY A 48 15.231 -2.843 2.979 1.00 3.33 N ATOM 714 CA GLY A 48 16.328 -2.009 2.453 1.00 52.51 C ATOM 715 C GLY A 48 16.199 -1.705 0.959 1.00 44.15 C ATOM 716 O GLY A 48 16.744 -0.700 0.481 1.00 52.22 O ATOM 0 H GLY A 48 14.302 -2.458 2.809 1.00 3.33 H new ATOM 0 HA2 GLY A 48 16.358 -1.070 3.006 1.00 52.51 H new ATOM 0 HA3 GLY A 48 17.277 -2.515 2.633 1.00 52.51 H new ATOM 720 N ALA A 49 15.475 -2.576 0.224 1.00 1.44 N ATOM 721 CA ALA A 49 15.282 -2.448 -1.244 1.00 31.43 C ATOM 722 C ALA A 49 14.544 -1.144 -1.642 1.00 73.43 C ATOM 723 O ALA A 49 13.498 -0.826 -1.088 1.00 73.21 O ATOM 724 CB ALA A 49 14.518 -3.663 -1.777 1.00 71.33 C ATOM 0 H ALA A 49 15.007 -3.388 0.627 1.00 1.44 H new ATOM 0 HA ALA A 49 16.274 -2.403 -1.693 1.00 31.43 H new ATOM 0 HB1 ALA A 49 14.380 -3.562 -2.854 1.00 71.33 H new ATOM 0 HB2 ALA A 49 15.085 -4.570 -1.567 1.00 71.33 H new ATOM 0 HB3 ALA A 49 13.544 -3.723 -1.291 1.00 71.33 H new ATOM 730 N GLU A 50 15.092 -0.416 -2.630 1.00 24.32 N ATOM 731 CA GLU A 50 14.558 0.900 -3.071 1.00 44.22 C ATOM 732 C GLU A 50 13.774 0.756 -4.402 1.00 60.43 C ATOM 733 O GLU A 50 14.238 0.084 -5.325 1.00 51.11 O ATOM 734 CB GLU A 50 15.721 1.912 -3.234 1.00 71.51 C ATOM 735 CG GLU A 50 16.578 2.120 -1.970 1.00 65.30 C ATOM 736 CD GLU A 50 17.812 3.004 -2.221 1.00 43.43 C ATOM 737 OE1 GLU A 50 18.885 2.461 -2.575 1.00 74.42 O ATOM 738 OE2 GLU A 50 17.715 4.245 -2.081 1.00 54.13 O ATOM 0 H GLU A 50 15.917 -0.716 -3.150 1.00 24.32 H new ATOM 0 HA GLU A 50 13.870 1.270 -2.311 1.00 44.22 H new ATOM 0 HB2 GLU A 50 16.368 1.573 -4.043 1.00 71.51 H new ATOM 0 HB3 GLU A 50 15.307 2.874 -3.538 1.00 71.51 H new ATOM 0 HG2 GLU A 50 15.964 2.574 -1.192 1.00 65.30 H new ATOM 0 HG3 GLU A 50 16.903 1.150 -1.594 1.00 65.30 H new ATOM 745 N ARG A 51 12.597 1.408 -4.489 1.00 11.32 N ATOM 746 CA ARG A 51 11.648 1.270 -5.623 1.00 53.51 C ATOM 747 C ARG A 51 11.492 2.603 -6.400 1.00 0.31 C ATOM 748 O ARG A 51 10.889 3.552 -5.898 1.00 11.32 O ATOM 749 CB ARG A 51 10.283 0.793 -5.054 1.00 4.53 C ATOM 750 CG ARG A 51 9.205 0.473 -6.103 1.00 4.52 C ATOM 751 CD ARG A 51 7.987 -0.275 -5.517 1.00 4.05 C ATOM 752 NE ARG A 51 7.130 0.556 -4.647 1.00 41.50 N ATOM 753 CZ ARG A 51 6.027 0.136 -4.056 1.00 44.13 C ATOM 754 NH1 ARG A 51 5.747 -1.130 -3.956 1.00 20.24 N ATOM 755 NH2 ARG A 51 5.238 0.991 -3.499 1.00 12.44 N ATOM 0 H ARG A 51 12.271 2.053 -3.769 1.00 11.32 H new ATOM 0 HA ARG A 51 12.033 0.539 -6.335 1.00 53.51 H new ATOM 0 HB2 ARG A 51 10.452 -0.098 -4.449 1.00 4.53 H new ATOM 0 HB3 ARG A 51 9.898 1.564 -4.386 1.00 4.53 H new ATOM 0 HG2 ARG A 51 8.866 1.402 -6.561 1.00 4.52 H new ATOM 0 HG3 ARG A 51 9.647 -0.131 -6.896 1.00 4.52 H new ATOM 0 HD2 ARG A 51 7.384 -0.664 -6.337 1.00 4.05 H new ATOM 0 HD3 ARG A 51 8.341 -1.133 -4.946 1.00 4.05 H new ATOM 0 HE ARG A 51 7.411 1.524 -4.492 1.00 41.50 H new ATOM 0 HH11 ARG A 51 6.387 -1.826 -4.339 1.00 20.24 H new ATOM 0 HH12 ARG A 51 4.888 -1.427 -3.494 1.00 20.24 H new ATOM 0 HH21 ARG A 51 5.468 1.985 -3.517 1.00 12.44 H new ATOM 0 HH22 ARG A 51 4.384 0.674 -3.041 1.00 12.44 H new ATOM 769 N VAL A 52 12.041 2.676 -7.636 1.00 54.34 N ATOM 770 CA VAL A 52 11.966 3.893 -8.487 1.00 71.15 C ATOM 771 C VAL A 52 11.095 3.620 -9.743 1.00 20.51 C ATOM 772 O VAL A 52 11.517 2.917 -10.662 1.00 2.43 O ATOM 773 CB VAL A 52 13.394 4.423 -8.894 1.00 31.10 C ATOM 774 CG1 VAL A 52 13.301 5.812 -9.582 1.00 51.35 C ATOM 775 CG2 VAL A 52 14.334 4.481 -7.666 1.00 31.45 C ATOM 0 H VAL A 52 12.544 1.902 -8.070 1.00 54.34 H new ATOM 0 HA VAL A 52 11.494 4.678 -7.897 1.00 71.15 H new ATOM 0 HB VAL A 52 13.817 3.720 -9.612 1.00 31.10 H new ATOM 0 HG11 VAL A 52 14.301 6.152 -9.851 1.00 51.35 H new ATOM 0 HG12 VAL A 52 12.690 5.732 -10.481 1.00 51.35 H new ATOM 0 HG13 VAL A 52 12.847 6.528 -8.897 1.00 51.35 H new ATOM 0 HG21 VAL A 52 15.312 4.850 -7.974 1.00 31.45 H new ATOM 0 HG22 VAL A 52 13.913 5.151 -6.917 1.00 31.45 H new ATOM 0 HG23 VAL A 52 14.440 3.483 -7.241 1.00 31.45 H new ATOM 785 N PHE A 53 9.886 4.212 -9.762 1.00 52.13 N ATOM 786 CA PHE A 53 8.815 3.898 -10.750 1.00 5.15 C ATOM 787 C PHE A 53 9.151 4.347 -12.195 1.00 63.33 C ATOM 788 O PHE A 53 9.172 3.521 -13.114 1.00 51.21 O ATOM 789 CB PHE A 53 7.479 4.521 -10.278 1.00 73.40 C ATOM 790 CG PHE A 53 6.932 3.885 -8.998 1.00 61.43 C ATOM 791 CD1 PHE A 53 7.371 4.299 -7.740 1.00 3.10 C ATOM 792 CD2 PHE A 53 5.983 2.867 -9.058 1.00 23.30 C ATOM 793 CE1 PHE A 53 6.875 3.713 -6.592 1.00 14.54 C ATOM 794 CE2 PHE A 53 5.492 2.288 -7.910 1.00 21.54 C ATOM 795 CZ PHE A 53 5.931 2.710 -6.680 1.00 42.22 C ATOM 0 H PHE A 53 9.614 4.929 -9.090 1.00 52.13 H new ATOM 0 HA PHE A 53 8.728 2.812 -10.793 1.00 5.15 H new ATOM 0 HB2 PHE A 53 7.623 5.589 -10.112 1.00 73.40 H new ATOM 0 HB3 PHE A 53 6.738 4.419 -11.071 1.00 73.40 H new ATOM 0 HD1 PHE A 53 8.107 5.086 -7.663 1.00 3.10 H new ATOM 0 HD2 PHE A 53 5.627 2.527 -10.019 1.00 23.30 H new ATOM 0 HE1 PHE A 53 7.226 4.040 -5.624 1.00 14.54 H new ATOM 0 HE2 PHE A 53 4.758 1.498 -7.977 1.00 21.54 H new ATOM 0 HZ PHE A 53 5.538 2.258 -5.782 1.00 42.22 H new ATOM 805 N GLY A 54 9.390 5.658 -12.391 1.00 51.42 N ATOM 806 CA GLY A 54 9.770 6.193 -13.714 1.00 4.40 C ATOM 807 C GLY A 54 11.240 5.932 -14.081 1.00 54.05 C ATOM 808 O GLY A 54 11.632 6.145 -15.230 1.00 2.13 O ATOM 0 H GLY A 54 9.327 6.362 -11.656 1.00 51.42 H new ATOM 0 HA2 GLY A 54 9.129 5.748 -14.475 1.00 4.40 H new ATOM 0 HA3 GLY A 54 9.585 7.267 -13.730 1.00 4.40 H new ATOM 812 N ALA A 55 12.039 5.498 -13.071 1.00 51.44 N ATOM 813 CA ALA A 55 13.480 5.138 -13.200 1.00 22.11 C ATOM 814 C ALA A 55 14.389 6.353 -13.537 1.00 63.44 C ATOM 815 O ALA A 55 15.123 6.839 -12.669 1.00 51.35 O ATOM 816 CB ALA A 55 13.683 3.965 -14.179 1.00 63.43 C ATOM 0 H ALA A 55 11.691 5.385 -12.119 1.00 51.44 H new ATOM 0 HA ALA A 55 13.802 4.801 -12.215 1.00 22.11 H new ATOM 0 HB1 ALA A 55 14.745 3.729 -14.249 1.00 63.43 H new ATOM 0 HB2 ALA A 55 13.140 3.091 -13.818 1.00 63.43 H new ATOM 0 HB3 ALA A 55 13.308 4.244 -15.164 1.00 63.43 H new ATOM 822 N GLY A 56 14.332 6.837 -14.793 1.00 65.11 N ATOM 823 CA GLY A 56 15.189 7.950 -15.248 1.00 3.52 C ATOM 824 C GLY A 56 14.546 8.808 -16.340 1.00 33.31 C ATOM 825 O GLY A 56 15.199 9.170 -17.330 1.00 53.25 O ATOM 0 H GLY A 56 13.703 6.476 -15.510 1.00 65.11 H new ATOM 0 HA2 GLY A 56 15.432 8.584 -14.395 1.00 3.52 H new ATOM 0 HA3 GLY A 56 16.129 7.545 -15.622 1.00 3.52 H new ATOM 829 N THR A 57 13.259 9.144 -16.142 1.00 52.43 N ATOM 830 CA THR A 57 12.493 10.046 -17.035 1.00 72.14 C ATOM 831 C THR A 57 12.564 11.516 -16.495 1.00 51.43 C ATOM 832 O THR A 57 13.663 12.077 -16.415 1.00 23.15 O ATOM 833 CB THR A 57 11.013 9.539 -17.193 1.00 41.25 C ATOM 834 OG1 THR A 57 10.370 9.467 -15.899 1.00 32.33 O ATOM 835 CG2 THR A 57 10.941 8.160 -17.880 1.00 63.32 C ATOM 0 H THR A 57 12.713 8.797 -15.353 1.00 52.43 H new ATOM 0 HA THR A 57 12.939 10.038 -18.030 1.00 72.14 H new ATOM 0 HB THR A 57 10.493 10.257 -17.828 1.00 41.25 H new ATOM 0 HG1 THR A 57 9.449 9.152 -16.009 1.00 32.33 H new ATOM 0 HG21 THR A 57 9.899 7.851 -17.967 1.00 63.32 H new ATOM 0 HG22 THR A 57 11.385 8.225 -18.873 1.00 63.32 H new ATOM 0 HG23 THR A 57 11.488 7.428 -17.285 1.00 63.32 H new ATOM 843 N GLU A 58 11.416 12.143 -16.129 1.00 15.14 N ATOM 844 CA GLU A 58 11.370 13.510 -15.526 1.00 64.24 C ATOM 845 C GLU A 58 10.313 13.577 -14.385 1.00 11.15 C ATOM 846 O GLU A 58 10.016 14.659 -13.863 1.00 71.51 O ATOM 847 CB GLU A 58 11.033 14.560 -16.632 1.00 42.40 C ATOM 848 CG GLU A 58 12.153 14.802 -17.669 1.00 52.22 C ATOM 849 CD GLU A 58 11.735 15.774 -18.788 1.00 63.44 C ATOM 850 OE1 GLU A 58 11.631 16.990 -18.520 1.00 31.00 O ATOM 851 OE2 GLU A 58 11.503 15.327 -19.934 1.00 51.02 O ATOM 0 H GLU A 58 10.495 11.719 -16.242 1.00 15.14 H new ATOM 0 HA GLU A 58 12.347 13.735 -15.098 1.00 64.24 H new ATOM 0 HB2 GLU A 58 10.136 14.235 -17.159 1.00 42.40 H new ATOM 0 HB3 GLU A 58 10.794 15.508 -16.150 1.00 42.40 H new ATOM 0 HG2 GLU A 58 13.032 15.198 -17.161 1.00 52.22 H new ATOM 0 HG3 GLU A 58 12.443 13.849 -18.112 1.00 52.22 H new ATOM 858 N GLU A 59 9.778 12.404 -13.988 1.00 3.02 N ATOM 859 CA GLU A 59 8.586 12.307 -13.096 1.00 41.14 C ATOM 860 C GLU A 59 8.646 11.070 -12.156 1.00 14.40 C ATOM 861 O GLU A 59 7.618 10.637 -11.615 1.00 55.14 O ATOM 862 CB GLU A 59 7.310 12.249 -13.986 1.00 54.53 C ATOM 863 CG GLU A 59 7.298 11.070 -14.989 1.00 41.41 C ATOM 864 CD GLU A 59 6.009 10.990 -15.826 1.00 31.31 C ATOM 865 OE1 GLU A 59 5.908 11.698 -16.848 1.00 55.11 O ATOM 866 OE2 GLU A 59 5.092 10.224 -15.457 1.00 41.51 O ATOM 0 H GLU A 59 10.152 11.498 -14.270 1.00 3.02 H new ATOM 0 HA GLU A 59 8.566 13.185 -12.450 1.00 41.14 H new ATOM 0 HB2 GLU A 59 6.433 12.175 -13.343 1.00 54.53 H new ATOM 0 HB3 GLU A 59 7.222 13.184 -14.539 1.00 54.53 H new ATOM 0 HG2 GLU A 59 8.152 11.165 -15.660 1.00 41.41 H new ATOM 0 HG3 GLU A 59 7.425 10.136 -14.441 1.00 41.41 H new ATOM 873 N GLU A 60 9.858 10.535 -11.948 1.00 41.13 N ATOM 874 CA GLU A 60 10.075 9.298 -11.167 1.00 62.11 C ATOM 875 C GLU A 60 10.019 9.545 -9.636 1.00 12.43 C ATOM 876 O GLU A 60 10.427 10.597 -9.131 1.00 24.42 O ATOM 877 CB GLU A 60 11.414 8.584 -11.559 1.00 2.13 C ATOM 878 CG GLU A 60 12.734 9.368 -11.353 1.00 5.51 C ATOM 879 CD GLU A 60 12.910 10.536 -12.336 1.00 2.42 C ATOM 880 OE1 GLU A 60 13.159 10.272 -13.519 1.00 31.30 O ATOM 881 OE2 GLU A 60 12.725 11.709 -11.945 1.00 72.11 O ATOM 0 H GLU A 60 10.718 10.944 -12.314 1.00 41.13 H new ATOM 0 HA GLU A 60 9.249 8.634 -11.423 1.00 62.11 H new ATOM 0 HB2 GLU A 60 11.481 7.658 -10.987 1.00 2.13 H new ATOM 0 HB3 GLU A 60 11.350 8.305 -12.611 1.00 2.13 H new ATOM 0 HG2 GLU A 60 12.764 9.753 -10.334 1.00 5.51 H new ATOM 0 HG3 GLU A 60 13.575 8.683 -11.460 1.00 5.51 H new ATOM 888 N LEU A 61 9.478 8.547 -8.919 1.00 53.41 N ATOM 889 CA LEU A 61 9.407 8.520 -7.440 1.00 2.33 C ATOM 890 C LEU A 61 10.489 7.567 -6.896 1.00 3.52 C ATOM 891 O LEU A 61 10.530 6.405 -7.299 1.00 44.41 O ATOM 892 CB LEU A 61 7.982 8.050 -6.991 1.00 30.41 C ATOM 893 CG LEU A 61 7.810 7.598 -5.494 1.00 43.12 C ATOM 894 CD1 LEU A 61 8.221 8.694 -4.503 1.00 30.51 C ATOM 895 CD2 LEU A 61 6.366 7.114 -5.209 1.00 14.24 C ATOM 0 H LEU A 61 9.069 7.720 -9.354 1.00 53.41 H new ATOM 0 HA LEU A 61 9.584 9.519 -7.042 1.00 2.33 H new ATOM 0 HB2 LEU A 61 7.283 8.865 -7.180 1.00 30.41 H new ATOM 0 HB3 LEU A 61 7.684 7.219 -7.631 1.00 30.41 H new ATOM 0 HG LEU A 61 8.487 6.757 -5.346 1.00 43.12 H new ATOM 0 HD11 LEU A 61 8.084 8.333 -3.484 1.00 30.51 H new ATOM 0 HD12 LEU A 61 9.269 8.951 -4.659 1.00 30.51 H new ATOM 0 HD13 LEU A 61 7.603 9.578 -4.661 1.00 30.51 H new ATOM 0 HD21 LEU A 61 6.284 6.810 -4.166 1.00 14.24 H new ATOM 0 HD22 LEU A 61 5.665 7.925 -5.407 1.00 14.24 H new ATOM 0 HD23 LEU A 61 6.132 6.267 -5.854 1.00 14.24 H new ATOM 907 N VAL A 62 11.354 8.055 -5.983 1.00 34.25 N ATOM 908 CA VAL A 62 12.342 7.199 -5.286 1.00 13.51 C ATOM 909 C VAL A 62 11.774 6.791 -3.909 1.00 65.14 C ATOM 910 O VAL A 62 11.582 7.635 -3.019 1.00 14.30 O ATOM 911 CB VAL A 62 13.737 7.911 -5.108 1.00 34.03 C ATOM 912 CG1 VAL A 62 14.777 6.978 -4.422 1.00 22.23 C ATOM 913 CG2 VAL A 62 14.269 8.441 -6.461 1.00 12.23 C ATOM 0 H VAL A 62 11.390 9.037 -5.710 1.00 34.25 H new ATOM 0 HA VAL A 62 12.515 6.316 -5.902 1.00 13.51 H new ATOM 0 HB VAL A 62 13.584 8.766 -4.449 1.00 34.03 H new ATOM 0 HG11 VAL A 62 15.725 7.505 -4.317 1.00 22.23 H new ATOM 0 HG12 VAL A 62 14.412 6.689 -3.437 1.00 22.23 H new ATOM 0 HG13 VAL A 62 14.923 6.086 -5.031 1.00 22.23 H new ATOM 0 HG21 VAL A 62 15.232 8.927 -6.308 1.00 12.23 H new ATOM 0 HG22 VAL A 62 14.388 7.610 -7.156 1.00 12.23 H new ATOM 0 HG23 VAL A 62 13.561 9.160 -6.874 1.00 12.23 H new ATOM 923 N GLU A 63 11.516 5.490 -3.753 1.00 74.25 N ATOM 924 CA GLU A 63 10.891 4.906 -2.551 1.00 35.33 C ATOM 925 C GLU A 63 11.865 3.891 -1.900 1.00 15.31 C ATOM 926 O GLU A 63 12.870 3.533 -2.513 1.00 71.53 O ATOM 927 CB GLU A 63 9.550 4.235 -2.968 1.00 15.32 C ATOM 928 CG GLU A 63 8.567 3.974 -1.819 1.00 44.24 C ATOM 929 CD GLU A 63 7.303 3.227 -2.267 1.00 1.31 C ATOM 930 OE1 GLU A 63 6.616 3.688 -3.205 1.00 61.12 O ATOM 931 OE2 GLU A 63 6.996 2.174 -1.691 1.00 61.11 O ATOM 0 H GLU A 63 11.737 4.796 -4.467 1.00 74.25 H new ATOM 0 HA GLU A 63 10.678 5.677 -1.811 1.00 35.33 H new ATOM 0 HB2 GLU A 63 9.060 4.868 -3.708 1.00 15.32 H new ATOM 0 HB3 GLU A 63 9.773 3.287 -3.457 1.00 15.32 H new ATOM 0 HG2 GLU A 63 9.069 3.395 -1.044 1.00 44.24 H new ATOM 0 HG3 GLU A 63 8.280 4.925 -1.371 1.00 44.24 H new ATOM 938 N ARG A 64 11.592 3.452 -0.653 1.00 21.34 N ATOM 939 CA ARG A 64 12.457 2.482 0.068 1.00 14.43 C ATOM 940 C ARG A 64 11.665 1.634 1.096 1.00 20.04 C ATOM 941 O ARG A 64 10.864 2.156 1.868 1.00 64.54 O ATOM 942 CB ARG A 64 13.636 3.201 0.781 1.00 50.23 C ATOM 943 CG ARG A 64 14.698 2.231 1.365 1.00 11.53 C ATOM 944 CD ARG A 64 15.897 2.962 1.987 1.00 60.31 C ATOM 945 NE ARG A 64 16.984 2.033 2.345 1.00 54.23 N ATOM 946 CZ ARG A 64 18.248 2.370 2.491 1.00 20.12 C ATOM 947 NH1 ARG A 64 18.651 3.595 2.317 1.00 4.35 N ATOM 948 NH2 ARG A 64 19.113 1.470 2.806 1.00 53.31 N ATOM 0 H ARG A 64 10.777 3.753 -0.119 1.00 21.34 H new ATOM 0 HA ARG A 64 12.855 1.806 -0.689 1.00 14.43 H new ATOM 0 HB2 ARG A 64 14.121 3.873 0.073 1.00 50.23 H new ATOM 0 HB3 ARG A 64 13.239 3.819 1.587 1.00 50.23 H new ATOM 0 HG2 ARG A 64 14.230 1.601 2.122 1.00 11.53 H new ATOM 0 HG3 ARG A 64 15.052 1.570 0.574 1.00 11.53 H new ATOM 0 HD2 ARG A 64 16.272 3.706 1.284 1.00 60.31 H new ATOM 0 HD3 ARG A 64 15.572 3.500 2.877 1.00 60.31 H new ATOM 0 HE ARG A 64 16.738 1.054 2.491 1.00 54.23 H new ATOM 0 HH11 ARG A 64 17.981 4.321 2.061 1.00 4.35 H new ATOM 0 HH12 ARG A 64 19.636 3.830 2.436 1.00 4.35 H new ATOM 0 HH21 ARG A 64 18.817 0.503 2.941 1.00 53.31 H new ATOM 0 HH22 ARG A 64 20.094 1.724 2.921 1.00 53.31 H new ATOM 962 N LEU A 65 11.961 0.327 1.114 1.00 71.53 N ATOM 963 CA LEU A 65 11.393 -0.655 2.054 1.00 60.42 C ATOM 964 C LEU A 65 12.076 -0.547 3.444 1.00 2.34 C ATOM 965 O LEU A 65 13.285 -0.764 3.557 1.00 53.11 O ATOM 966 CB LEU A 65 11.600 -2.071 1.442 1.00 71.21 C ATOM 967 CG LEU A 65 11.103 -3.294 2.268 1.00 15.22 C ATOM 968 CD1 LEU A 65 9.616 -3.152 2.622 1.00 64.44 C ATOM 969 CD2 LEU A 65 11.375 -4.622 1.511 1.00 10.41 C ATOM 0 H LEU A 65 12.621 -0.090 0.457 1.00 71.53 H new ATOM 0 HA LEU A 65 10.331 -0.463 2.205 1.00 60.42 H new ATOM 0 HB2 LEU A 65 11.100 -2.095 0.474 1.00 71.21 H new ATOM 0 HB3 LEU A 65 12.666 -2.203 1.254 1.00 71.21 H new ATOM 0 HG LEU A 65 11.665 -3.321 3.201 1.00 15.22 H new ATOM 0 HD11 LEU A 65 9.295 -4.019 3.199 1.00 64.44 H new ATOM 0 HD12 LEU A 65 9.467 -2.248 3.213 1.00 64.44 H new ATOM 0 HD13 LEU A 65 9.029 -3.087 1.706 1.00 64.44 H new ATOM 0 HD21 LEU A 65 11.019 -5.461 2.109 1.00 10.41 H new ATOM 0 HD22 LEU A 65 10.852 -4.610 0.555 1.00 10.41 H new ATOM 0 HD23 LEU A 65 12.446 -4.729 1.337 1.00 10.41 H new ATOM 981 N VAL A 66 11.298 -0.190 4.488 1.00 33.31 N ATOM 982 CA VAL A 66 11.811 -0.079 5.882 1.00 24.00 C ATOM 983 C VAL A 66 11.924 -1.480 6.532 1.00 22.23 C ATOM 984 O VAL A 66 12.989 -1.868 7.026 1.00 4.41 O ATOM 985 CB VAL A 66 10.875 0.844 6.761 1.00 14.14 C ATOM 986 CG1 VAL A 66 11.326 0.900 8.247 1.00 31.34 C ATOM 987 CG2 VAL A 66 10.789 2.267 6.166 1.00 20.34 C ATOM 0 H VAL A 66 10.306 0.029 4.397 1.00 33.31 H new ATOM 0 HA VAL A 66 12.801 0.375 5.836 1.00 24.00 H new ATOM 0 HB VAL A 66 9.882 0.395 6.743 1.00 14.14 H new ATOM 0 HG11 VAL A 66 10.651 1.546 8.808 1.00 31.34 H new ATOM 0 HG12 VAL A 66 11.304 -0.104 8.672 1.00 31.34 H new ATOM 0 HG13 VAL A 66 12.340 1.296 8.305 1.00 31.34 H new ATOM 0 HG21 VAL A 66 10.140 2.883 6.788 1.00 20.34 H new ATOM 0 HG22 VAL A 66 11.785 2.708 6.133 1.00 20.34 H new ATOM 0 HG23 VAL A 66 10.382 2.215 5.156 1.00 20.34 H new ATOM 997 N GLU A 67 10.813 -2.231 6.490 1.00 12.13 N ATOM 998 CA GLU A 67 10.715 -3.599 7.037 1.00 54.25 C ATOM 999 C GLU A 67 9.634 -4.390 6.272 1.00 22.40 C ATOM 1000 O GLU A 67 8.627 -3.832 5.872 1.00 3.24 O ATOM 1001 CB GLU A 67 10.405 -3.578 8.569 1.00 72.55 C ATOM 1002 CG GLU A 67 10.281 -4.979 9.218 1.00 23.15 C ATOM 1003 CD GLU A 67 10.044 -4.955 10.743 1.00 3.22 C ATOM 1004 OE1 GLU A 67 8.930 -4.592 11.179 1.00 11.32 O ATOM 1005 OE2 GLU A 67 10.968 -5.310 11.509 1.00 52.24 O ATOM 0 H GLU A 67 9.943 -1.903 6.070 1.00 12.13 H new ATOM 0 HA GLU A 67 11.678 -4.093 6.906 1.00 54.25 H new ATOM 0 HB2 GLU A 67 11.193 -3.024 9.079 1.00 72.55 H new ATOM 0 HB3 GLU A 67 9.475 -3.033 8.731 1.00 72.55 H new ATOM 0 HG2 GLU A 67 9.459 -5.515 8.743 1.00 23.15 H new ATOM 0 HG3 GLU A 67 11.191 -5.543 9.012 1.00 23.15 H new ATOM 1012 N ARG A 68 9.856 -5.688 6.072 1.00 0.53 N ATOM 1013 CA ARG A 68 8.880 -6.588 5.432 1.00 14.02 C ATOM 1014 C ARG A 68 8.763 -7.842 6.313 1.00 33.00 C ATOM 1015 O ARG A 68 9.716 -8.619 6.418 1.00 32.34 O ATOM 1016 CB ARG A 68 9.318 -6.901 3.961 1.00 32.44 C ATOM 1017 CG ARG A 68 8.292 -7.681 3.075 1.00 61.00 C ATOM 1018 CD ARG A 68 8.302 -9.208 3.304 1.00 30.52 C ATOM 1019 NE ARG A 68 7.307 -9.921 2.485 1.00 42.34 N ATOM 1020 CZ ARG A 68 7.242 -11.230 2.364 1.00 0.51 C ATOM 1021 NH1 ARG A 68 8.168 -11.997 2.855 1.00 72.52 N ATOM 1022 NH2 ARG A 68 6.265 -11.776 1.722 1.00 52.33 N ATOM 0 H ARG A 68 10.720 -6.154 6.348 1.00 0.53 H new ATOM 0 HA ARG A 68 7.895 -6.127 5.354 1.00 14.02 H new ATOM 0 HB2 ARG A 68 9.547 -5.957 3.466 1.00 32.44 H new ATOM 0 HB3 ARG A 68 10.244 -7.476 3.996 1.00 32.44 H new ATOM 0 HG2 ARG A 68 7.291 -7.300 3.275 1.00 61.00 H new ATOM 0 HG3 ARG A 68 8.506 -7.479 2.025 1.00 61.00 H new ATOM 0 HD2 ARG A 68 9.295 -9.597 3.079 1.00 30.52 H new ATOM 0 HD3 ARG A 68 8.111 -9.413 4.357 1.00 30.52 H new ATOM 0 HE ARG A 68 6.621 -9.362 1.977 1.00 42.34 H new ATOM 0 HH11 ARG A 68 8.963 -11.587 3.345 1.00 72.52 H new ATOM 0 HH12 ARG A 68 8.100 -13.009 2.751 1.00 72.52 H new ATOM 0 HH21 ARG A 68 5.539 -11.193 1.306 1.00 52.33 H new ATOM 0 HH22 ARG A 68 6.219 -12.791 1.631 1.00 52.33 H new ATOM 1036 N ASP A 69 7.588 -8.023 6.948 1.00 30.31 N ATOM 1037 CA ASP A 69 7.335 -9.151 7.862 1.00 21.13 C ATOM 1038 C ASP A 69 6.260 -10.096 7.287 1.00 32.32 C ATOM 1039 O ASP A 69 5.097 -9.724 7.142 1.00 3.32 O ATOM 1040 CB ASP A 69 6.942 -8.661 9.276 1.00 10.10 C ATOM 1041 CG ASP A 69 6.840 -9.816 10.290 1.00 51.32 C ATOM 1042 OD1 ASP A 69 7.746 -10.680 10.311 1.00 44.21 O ATOM 1043 OD2 ASP A 69 5.860 -9.880 11.054 1.00 33.23 O ATOM 0 H ASP A 69 6.792 -7.394 6.842 1.00 30.31 H new ATOM 0 HA ASP A 69 8.265 -9.711 7.956 1.00 21.13 H new ATOM 0 HB2 ASP A 69 7.680 -7.938 9.625 1.00 10.10 H new ATOM 0 HB3 ASP A 69 5.986 -8.141 9.225 1.00 10.10 H new ATOM 1048 N GLU A 70 6.675 -11.331 6.983 1.00 43.00 N ATOM 1049 CA GLU A 70 5.799 -12.375 6.415 1.00 53.04 C ATOM 1050 C GLU A 70 5.005 -13.120 7.520 1.00 41.41 C ATOM 1051 O GLU A 70 3.954 -13.716 7.248 1.00 72.02 O ATOM 1052 CB GLU A 70 6.679 -13.339 5.571 1.00 3.20 C ATOM 1053 CG GLU A 70 5.931 -14.439 4.790 1.00 24.45 C ATOM 1054 CD GLU A 70 6.801 -15.073 3.687 1.00 60.34 C ATOM 1055 OE1 GLU A 70 7.572 -16.008 3.988 1.00 15.02 O ATOM 1056 OE2 GLU A 70 6.752 -14.595 2.527 1.00 1.12 O ATOM 0 H GLU A 70 7.636 -11.642 7.124 1.00 43.00 H new ATOM 0 HA GLU A 70 5.047 -11.918 5.772 1.00 53.04 H new ATOM 0 HB2 GLU A 70 7.253 -12.745 4.860 1.00 3.20 H new ATOM 0 HB3 GLU A 70 7.396 -13.819 6.237 1.00 3.20 H new ATOM 0 HG2 GLU A 70 5.605 -15.215 5.483 1.00 24.45 H new ATOM 0 HG3 GLU A 70 5.033 -14.015 4.341 1.00 24.45 H new ATOM 1063 N SER A 71 5.511 -13.048 8.769 1.00 30.04 N ATOM 1064 CA SER A 71 4.893 -13.716 9.941 1.00 74.34 C ATOM 1065 C SER A 71 3.541 -13.068 10.330 1.00 73.03 C ATOM 1066 O SER A 71 2.539 -13.768 10.515 1.00 73.33 O ATOM 1067 CB SER A 71 5.863 -13.684 11.146 1.00 52.05 C ATOM 1068 OG SER A 71 5.332 -14.396 12.259 1.00 4.34 O ATOM 0 H SER A 71 6.358 -12.527 8.996 1.00 30.04 H new ATOM 0 HA SER A 71 4.695 -14.751 9.662 1.00 74.34 H new ATOM 0 HB2 SER A 71 6.820 -14.119 10.857 1.00 52.05 H new ATOM 0 HB3 SER A 71 6.056 -12.650 11.432 1.00 52.05 H new ATOM 0 HG SER A 71 5.968 -14.359 13.004 1.00 4.34 H new ATOM 1074 N ALA A 72 3.526 -11.724 10.444 1.00 2.13 N ATOM 1075 CA ALA A 72 2.302 -10.951 10.791 1.00 54.52 C ATOM 1076 C ALA A 72 1.590 -10.381 9.540 1.00 52.23 C ATOM 1077 O ALA A 72 0.580 -9.676 9.677 1.00 64.41 O ATOM 1078 CB ALA A 72 2.650 -9.817 11.776 1.00 73.52 C ATOM 0 H ALA A 72 4.352 -11.142 10.301 1.00 2.13 H new ATOM 0 HA ALA A 72 1.606 -11.642 11.267 1.00 54.52 H new ATOM 0 HB1 ALA A 72 1.747 -9.259 12.022 1.00 73.52 H new ATOM 0 HB2 ALA A 72 3.073 -10.243 12.686 1.00 73.52 H new ATOM 0 HB3 ALA A 72 3.377 -9.147 11.317 1.00 73.52 H new ATOM 1084 N ARG A 73 2.122 -10.701 8.335 1.00 13.12 N ATOM 1085 CA ARG A 73 1.602 -10.205 7.033 1.00 3.43 C ATOM 1086 C ARG A 73 1.526 -8.650 6.991 1.00 4.00 C ATOM 1087 O ARG A 73 0.498 -8.059 6.638 1.00 54.32 O ATOM 1088 CB ARG A 73 0.234 -10.874 6.689 1.00 44.52 C ATOM 1089 CG ARG A 73 0.315 -12.409 6.565 1.00 34.13 C ATOM 1090 CD ARG A 73 -1.031 -13.060 6.196 1.00 31.42 C ATOM 1091 NE ARG A 73 -0.892 -14.525 6.066 1.00 0.21 N ATOM 1092 CZ ARG A 73 -1.677 -15.427 6.615 1.00 72.13 C ATOM 1093 NH1 ARG A 73 -2.685 -15.094 7.363 1.00 60.40 N ATOM 1094 NH2 ARG A 73 -1.420 -16.675 6.429 1.00 25.30 N ATOM 0 H ARG A 73 2.930 -11.315 8.237 1.00 13.12 H new ATOM 0 HA ARG A 73 2.311 -10.496 6.258 1.00 3.43 H new ATOM 0 HB2 ARG A 73 -0.491 -10.617 7.461 1.00 44.52 H new ATOM 0 HB3 ARG A 73 -0.138 -10.461 5.752 1.00 44.52 H new ATOM 0 HG2 ARG A 73 1.056 -12.667 5.808 1.00 34.13 H new ATOM 0 HG3 ARG A 73 0.666 -12.825 7.509 1.00 34.13 H new ATOM 0 HD2 ARG A 73 -1.773 -12.828 6.960 1.00 31.42 H new ATOM 0 HD3 ARG A 73 -1.397 -12.641 5.259 1.00 31.42 H new ATOM 0 HE ARG A 73 -0.117 -14.869 5.499 1.00 0.21 H new ATOM 0 HH11 ARG A 73 -2.886 -14.110 7.539 1.00 60.40 H new ATOM 0 HH12 ARG A 73 -3.275 -15.817 7.775 1.00 60.40 H new ATOM 0 HH21 ARG A 73 -0.618 -16.952 5.863 1.00 25.30 H new ATOM 0 HH22 ARG A 73 -2.019 -17.387 6.848 1.00 25.30 H new ATOM 1108 N ARG A 74 2.660 -8.019 7.329 1.00 31.24 N ATOM 1109 CA ARG A 74 2.795 -6.553 7.456 1.00 31.14 C ATOM 1110 C ARG A 74 3.990 -6.023 6.606 1.00 50.33 C ATOM 1111 O ARG A 74 5.136 -6.411 6.827 1.00 24.40 O ATOM 1112 CB ARG A 74 2.975 -6.213 8.961 1.00 2.25 C ATOM 1113 CG ARG A 74 3.273 -4.733 9.264 1.00 22.22 C ATOM 1114 CD ARG A 74 3.441 -4.456 10.765 1.00 13.21 C ATOM 1115 NE ARG A 74 2.162 -4.567 11.489 1.00 44.13 N ATOM 1116 CZ ARG A 74 2.026 -4.680 12.791 1.00 13.21 C ATOM 1117 NH1 ARG A 74 3.053 -4.814 13.577 1.00 55.32 N ATOM 1118 NH2 ARG A 74 0.841 -4.673 13.301 1.00 63.44 N ATOM 0 H ARG A 74 3.527 -8.519 7.526 1.00 31.24 H new ATOM 0 HA ARG A 74 1.900 -6.063 7.074 1.00 31.14 H new ATOM 0 HB2 ARG A 74 2.069 -6.502 9.494 1.00 2.25 H new ATOM 0 HB3 ARG A 74 3.787 -6.820 9.360 1.00 2.25 H new ATOM 0 HG2 ARG A 74 4.181 -4.435 8.740 1.00 22.22 H new ATOM 0 HG3 ARG A 74 2.463 -4.117 8.874 1.00 22.22 H new ATOM 0 HD2 ARG A 74 4.159 -5.159 11.186 1.00 13.21 H new ATOM 0 HD3 ARG A 74 3.853 -3.457 10.906 1.00 13.21 H new ATOM 0 HE ARG A 74 1.308 -4.555 10.931 1.00 44.13 H new ATOM 0 HH11 ARG A 74 3.995 -4.834 13.186 1.00 55.32 H new ATOM 0 HH12 ARG A 74 2.917 -4.900 14.584 1.00 55.32 H new ATOM 0 HH21 ARG A 74 0.026 -4.581 12.695 1.00 63.44 H new ATOM 0 HH22 ARG A 74 0.720 -4.760 14.310 1.00 63.44 H new ATOM 1132 N LEU A 75 3.697 -5.132 5.638 1.00 14.14 N ATOM 1133 CA LEU A 75 4.697 -4.534 4.715 1.00 53.02 C ATOM 1134 C LEU A 75 4.910 -3.034 5.046 1.00 71.01 C ATOM 1135 O LEU A 75 4.076 -2.203 4.727 1.00 74.52 O ATOM 1136 CB LEU A 75 4.191 -4.708 3.246 1.00 64.34 C ATOM 1137 CG LEU A 75 4.989 -3.965 2.123 1.00 55.13 C ATOM 1138 CD1 LEU A 75 6.449 -4.427 2.079 1.00 74.44 C ATOM 1139 CD2 LEU A 75 4.308 -4.131 0.745 1.00 73.52 C ATOM 0 H LEU A 75 2.748 -4.799 5.469 1.00 14.14 H new ATOM 0 HA LEU A 75 5.655 -5.040 4.832 1.00 53.02 H new ATOM 0 HB2 LEU A 75 4.191 -5.773 3.012 1.00 64.34 H new ATOM 0 HB3 LEU A 75 3.155 -4.372 3.203 1.00 64.34 H new ATOM 0 HG LEU A 75 4.986 -2.903 2.367 1.00 55.13 H new ATOM 0 HD11 LEU A 75 6.976 -3.892 1.289 1.00 74.44 H new ATOM 0 HD12 LEU A 75 6.925 -4.220 3.037 1.00 74.44 H new ATOM 0 HD13 LEU A 75 6.486 -5.498 1.880 1.00 74.44 H new ATOM 0 HD21 LEU A 75 4.887 -3.603 -0.013 1.00 73.52 H new ATOM 0 HD22 LEU A 75 4.256 -5.189 0.490 1.00 73.52 H new ATOM 0 HD23 LEU A 75 3.300 -3.717 0.785 1.00 73.52 H new ATOM 1151 N VAL A 76 6.055 -2.694 5.645 1.00 42.14 N ATOM 1152 CA VAL A 76 6.368 -1.313 6.113 1.00 74.11 C ATOM 1153 C VAL A 76 7.399 -0.623 5.180 1.00 24.31 C ATOM 1154 O VAL A 76 8.467 -1.173 4.920 1.00 12.34 O ATOM 1155 CB VAL A 76 6.936 -1.335 7.580 1.00 2.24 C ATOM 1156 CG1 VAL A 76 7.162 0.098 8.124 1.00 74.43 C ATOM 1157 CG2 VAL A 76 6.017 -2.150 8.521 1.00 63.23 C ATOM 0 H VAL A 76 6.804 -3.362 5.826 1.00 42.14 H new ATOM 0 HA VAL A 76 5.437 -0.747 6.093 1.00 74.11 H new ATOM 0 HB VAL A 76 7.907 -1.830 7.548 1.00 2.24 H new ATOM 0 HG11 VAL A 76 7.555 0.044 9.139 1.00 74.43 H new ATOM 0 HG12 VAL A 76 7.875 0.621 7.487 1.00 74.43 H new ATOM 0 HG13 VAL A 76 6.216 0.639 8.129 1.00 74.43 H new ATOM 0 HG21 VAL A 76 6.434 -2.148 9.528 1.00 63.23 H new ATOM 0 HG22 VAL A 76 5.024 -1.701 8.539 1.00 63.23 H new ATOM 0 HG23 VAL A 76 5.945 -3.176 8.160 1.00 63.23 H new ATOM 1167 N TYR A 77 7.092 0.599 4.715 1.00 32.35 N ATOM 1168 CA TYR A 77 7.979 1.365 3.804 1.00 14.42 C ATOM 1169 C TYR A 77 7.828 2.904 3.968 1.00 20.04 C ATOM 1170 O TYR A 77 7.040 3.390 4.784 1.00 1.32 O ATOM 1171 CB TYR A 77 7.738 0.929 2.331 1.00 11.43 C ATOM 1172 CG TYR A 77 6.296 1.111 1.820 1.00 54.32 C ATOM 1173 CD1 TYR A 77 5.884 2.313 1.235 1.00 70.24 C ATOM 1174 CD2 TYR A 77 5.356 0.077 1.911 1.00 23.15 C ATOM 1175 CE1 TYR A 77 4.600 2.475 0.761 1.00 51.40 C ATOM 1176 CE2 TYR A 77 4.065 0.240 1.441 1.00 33.31 C ATOM 1177 CZ TYR A 77 3.694 1.439 0.865 1.00 70.24 C ATOM 1178 OH TYR A 77 2.414 1.604 0.386 1.00 75.44 O ATOM 0 H TYR A 77 6.229 1.087 4.954 1.00 32.35 H new ATOM 0 HA TYR A 77 9.007 1.131 4.080 1.00 14.42 H new ATOM 0 HB2 TYR A 77 8.409 1.497 1.687 1.00 11.43 H new ATOM 0 HB3 TYR A 77 8.012 -0.121 2.230 1.00 11.43 H new ATOM 0 HD1 TYR A 77 6.586 3.130 1.153 1.00 70.24 H new ATOM 0 HD2 TYR A 77 5.644 -0.864 2.356 1.00 23.15 H new ATOM 0 HE1 TYR A 77 4.304 3.410 0.309 1.00 51.40 H new ATOM 0 HE2 TYR A 77 3.351 -0.566 1.524 1.00 33.31 H new ATOM 0 HH TYR A 77 1.861 0.843 0.660 1.00 75.44 H new ATOM 1188 N THR A 78 8.627 3.643 3.175 1.00 22.42 N ATOM 1189 CA THR A 78 8.643 5.127 3.121 1.00 53.35 C ATOM 1190 C THR A 78 9.116 5.586 1.728 1.00 50.11 C ATOM 1191 O THR A 78 9.784 4.831 1.035 1.00 54.23 O ATOM 1192 CB THR A 78 9.609 5.752 4.194 1.00 21.14 C ATOM 1193 OG1 THR A 78 9.603 7.189 4.096 1.00 44.53 O ATOM 1194 CG2 THR A 78 11.060 5.246 4.046 1.00 74.20 C ATOM 0 H THR A 78 9.299 3.218 2.535 1.00 22.42 H new ATOM 0 HA THR A 78 7.628 5.466 3.328 1.00 53.35 H new ATOM 0 HB THR A 78 9.238 5.438 5.170 1.00 21.14 H new ATOM 0 HG1 THR A 78 9.018 7.562 4.788 1.00 44.53 H new ATOM 0 HG21 THR A 78 11.686 5.707 4.810 1.00 74.20 H new ATOM 0 HG22 THR A 78 11.081 4.163 4.165 1.00 74.20 H new ATOM 0 HG23 THR A 78 11.439 5.510 3.059 1.00 74.20 H new ATOM 1202 N MET A 79 8.787 6.820 1.318 1.00 40.40 N ATOM 1203 CA MET A 79 9.376 7.441 0.104 1.00 4.42 C ATOM 1204 C MET A 79 10.299 8.633 0.502 1.00 44.31 C ATOM 1205 O MET A 79 9.811 9.722 0.826 1.00 51.22 O ATOM 1206 CB MET A 79 8.280 7.838 -0.932 1.00 3.23 C ATOM 1207 CG MET A 79 7.091 8.646 -0.409 1.00 52.05 C ATOM 1208 SD MET A 79 5.878 9.000 -1.708 1.00 55.21 S ATOM 1209 CE MET A 79 4.523 9.696 -0.766 1.00 63.42 C ATOM 0 H MET A 79 8.116 7.415 1.804 1.00 40.40 H new ATOM 0 HA MET A 79 10.000 6.702 -0.398 1.00 4.42 H new ATOM 0 HB2 MET A 79 8.757 8.412 -1.726 1.00 3.23 H new ATOM 0 HB3 MET A 79 7.896 6.924 -1.386 1.00 3.23 H new ATOM 0 HG2 MET A 79 6.607 8.095 0.398 1.00 52.05 H new ATOM 0 HG3 MET A 79 7.450 9.584 0.016 1.00 52.05 H new ATOM 0 HE1 MET A 79 3.576 9.398 -1.216 1.00 63.42 H new ATOM 0 HE2 MET A 79 4.568 9.331 0.260 1.00 63.42 H new ATOM 0 HE3 MET A 79 4.599 10.783 -0.768 1.00 63.42 H new ATOM 1219 N PRO A 80 11.667 8.420 0.526 1.00 51.55 N ATOM 1220 CA PRO A 80 12.661 9.481 0.889 1.00 25.31 C ATOM 1221 C PRO A 80 12.708 10.664 -0.121 1.00 53.11 C ATOM 1222 O PRO A 80 13.132 11.769 0.228 1.00 71.30 O ATOM 1223 CB PRO A 80 14.012 8.702 0.912 1.00 44.25 C ATOM 1224 CG PRO A 80 13.786 7.547 -0.018 1.00 73.32 C ATOM 1225 CD PRO A 80 12.356 7.128 0.229 1.00 15.04 C ATOM 0 HA PRO A 80 12.410 9.963 1.834 1.00 25.31 H new ATOM 0 HB2 PRO A 80 14.839 9.328 0.576 1.00 44.25 H new ATOM 0 HB3 PRO A 80 14.258 8.361 1.918 1.00 44.25 H new ATOM 0 HG2 PRO A 80 13.939 7.840 -1.057 1.00 73.32 H new ATOM 0 HG3 PRO A 80 14.479 6.731 0.189 1.00 73.32 H new ATOM 0 HD2 PRO A 80 11.926 6.633 -0.642 1.00 15.04 H new ATOM 0 HD3 PRO A 80 12.279 6.430 1.063 1.00 15.04 H new ATOM 1233 N ASP A 81 12.266 10.416 -1.368 1.00 75.25 N ATOM 1234 CA ASP A 81 12.171 11.452 -2.419 1.00 60.11 C ATOM 1235 C ASP A 81 10.744 11.432 -3.051 1.00 52.00 C ATOM 1236 O ASP A 81 10.526 10.802 -4.091 1.00 72.10 O ATOM 1237 CB ASP A 81 13.298 11.220 -3.467 1.00 42.30 C ATOM 1238 CG ASP A 81 13.317 12.245 -4.615 1.00 70.33 C ATOM 1239 OD1 ASP A 81 13.860 13.356 -4.432 1.00 51.31 O ATOM 1240 OD2 ASP A 81 12.787 11.950 -5.711 1.00 14.31 O ATOM 0 H ASP A 81 11.964 9.492 -1.678 1.00 75.25 H new ATOM 0 HA ASP A 81 12.316 12.446 -1.995 1.00 60.11 H new ATOM 0 HB2 ASP A 81 14.262 11.244 -2.958 1.00 42.30 H new ATOM 0 HB3 ASP A 81 13.185 10.221 -3.889 1.00 42.30 H new ATOM 1245 N PRO A 82 9.730 12.085 -2.380 1.00 22.24 N ATOM 1246 CA PRO A 82 8.318 12.107 -2.860 1.00 30.13 C ATOM 1247 C PRO A 82 8.028 13.216 -3.923 1.00 64.45 C ATOM 1248 O PRO A 82 8.723 14.241 -3.966 1.00 45.23 O ATOM 1249 CB PRO A 82 7.538 12.373 -1.548 1.00 70.24 C ATOM 1250 CG PRO A 82 8.448 13.269 -0.755 1.00 63.41 C ATOM 1251 CD PRO A 82 9.867 12.826 -1.089 1.00 0.53 C ATOM 0 HA PRO A 82 8.045 11.188 -3.378 1.00 30.13 H new ATOM 0 HB2 PRO A 82 6.579 12.852 -1.745 1.00 70.24 H new ATOM 0 HB3 PRO A 82 7.327 11.446 -1.015 1.00 70.24 H new ATOM 0 HG2 PRO A 82 8.293 14.315 -1.019 1.00 63.41 H new ATOM 0 HG3 PRO A 82 8.252 13.178 0.313 1.00 63.41 H new ATOM 0 HD2 PRO A 82 10.537 13.680 -1.190 1.00 0.53 H new ATOM 0 HD3 PRO A 82 10.279 12.189 -0.307 1.00 0.53 H new ATOM 1259 N PRO A 83 6.987 13.026 -4.809 1.00 24.42 N ATOM 1260 CA PRO A 83 6.502 14.098 -5.720 1.00 14.21 C ATOM 1261 C PRO A 83 5.495 15.063 -5.024 1.00 15.04 C ATOM 1262 O PRO A 83 5.056 16.054 -5.614 1.00 3.15 O ATOM 1263 CB PRO A 83 5.837 13.287 -6.854 1.00 70.25 C ATOM 1264 CG PRO A 83 5.271 12.078 -6.162 1.00 51.33 C ATOM 1265 CD PRO A 83 6.228 11.758 -5.021 1.00 4.45 C ATOM 0 HA PRO A 83 7.296 14.761 -6.063 1.00 14.21 H new ATOM 0 HB2 PRO A 83 5.056 13.863 -7.350 1.00 70.25 H new ATOM 0 HB3 PRO A 83 6.561 13.005 -7.619 1.00 70.25 H new ATOM 0 HG2 PRO A 83 4.268 12.279 -5.785 1.00 51.33 H new ATOM 0 HG3 PRO A 83 5.190 11.237 -6.851 1.00 51.33 H new ATOM 0 HD2 PRO A 83 5.689 11.462 -4.121 1.00 4.45 H new ATOM 0 HD3 PRO A 83 6.894 10.934 -5.279 1.00 4.45 H new ATOM 1273 N PHE A 84 5.140 14.745 -3.761 1.00 11.12 N ATOM 1274 CA PHE A 84 4.197 15.539 -2.936 1.00 73.23 C ATOM 1275 C PHE A 84 4.967 16.501 -1.993 1.00 42.11 C ATOM 1276 O PHE A 84 6.128 16.227 -1.652 1.00 31.13 O ATOM 1277 CB PHE A 84 3.294 14.571 -2.117 1.00 33.04 C ATOM 1278 CG PHE A 84 2.520 13.583 -2.992 1.00 74.53 C ATOM 1279 CD1 PHE A 84 1.448 14.010 -3.779 1.00 1.01 C ATOM 1280 CD2 PHE A 84 2.874 12.233 -3.045 1.00 72.10 C ATOM 1281 CE1 PHE A 84 0.757 13.121 -4.584 1.00 63.41 C ATOM 1282 CE2 PHE A 84 2.183 11.345 -3.848 1.00 33.22 C ATOM 1283 CZ PHE A 84 1.124 11.788 -4.620 1.00 21.03 C ATOM 0 H PHE A 84 5.502 13.923 -3.278 1.00 11.12 H new ATOM 0 HA PHE A 84 3.572 16.147 -3.590 1.00 73.23 H new ATOM 0 HB2 PHE A 84 3.913 14.015 -1.413 1.00 33.04 H new ATOM 0 HB3 PHE A 84 2.587 15.155 -1.527 1.00 33.04 H new ATOM 0 HD1 PHE A 84 1.154 15.049 -3.759 1.00 1.01 H new ATOM 0 HD2 PHE A 84 3.701 11.877 -2.449 1.00 72.10 H new ATOM 0 HE1 PHE A 84 -0.070 13.469 -5.185 1.00 63.41 H new ATOM 0 HE2 PHE A 84 2.470 10.304 -3.873 1.00 33.22 H new ATOM 0 HZ PHE A 84 0.585 11.095 -5.249 1.00 21.03 H new ATOM 1293 N PRO A 85 4.345 17.656 -1.562 1.00 41.13 N ATOM 1294 CA PRO A 85 4.992 18.618 -0.624 1.00 55.43 C ATOM 1295 C PRO A 85 4.933 18.147 0.864 1.00 4.22 C ATOM 1296 O PRO A 85 4.347 18.809 1.732 1.00 53.12 O ATOM 1297 CB PRO A 85 4.183 19.918 -0.879 1.00 30.30 C ATOM 1298 CG PRO A 85 2.799 19.435 -1.206 1.00 41.05 C ATOM 1299 CD PRO A 85 2.978 18.128 -1.961 1.00 13.12 C ATOM 0 HA PRO A 85 6.062 18.736 -0.796 1.00 55.43 H new ATOM 0 HB2 PRO A 85 4.182 20.564 -0.001 1.00 30.30 H new ATOM 0 HB3 PRO A 85 4.607 20.496 -1.700 1.00 30.30 H new ATOM 0 HG2 PRO A 85 2.214 19.284 -0.299 1.00 41.05 H new ATOM 0 HG3 PRO A 85 2.264 20.166 -1.813 1.00 41.05 H new ATOM 0 HD2 PRO A 85 2.211 17.403 -1.689 1.00 13.12 H new ATOM 0 HD3 PRO A 85 2.907 18.278 -3.038 1.00 13.12 H new ATOM 1307 N ILE A 86 5.561 16.984 1.134 1.00 73.41 N ATOM 1308 CA ILE A 86 5.638 16.367 2.486 1.00 2.34 C ATOM 1309 C ILE A 86 7.118 16.195 2.916 1.00 60.33 C ATOM 1310 O ILE A 86 8.031 16.347 2.091 1.00 54.31 O ATOM 1311 CB ILE A 86 4.897 14.970 2.527 1.00 12.11 C ATOM 1312 CG1 ILE A 86 5.633 13.905 1.647 1.00 52.14 C ATOM 1313 CG2 ILE A 86 3.424 15.129 2.087 1.00 44.22 C ATOM 1314 CD1 ILE A 86 5.030 12.509 1.687 1.00 72.31 C ATOM 0 H ILE A 86 6.036 16.437 0.416 1.00 73.41 H new ATOM 0 HA ILE A 86 5.137 17.036 3.185 1.00 2.34 H new ATOM 0 HB ILE A 86 4.914 14.610 3.556 1.00 12.11 H new ATOM 0 HG12 ILE A 86 5.640 14.252 0.614 1.00 52.14 H new ATOM 0 HG13 ILE A 86 6.672 13.845 1.970 1.00 52.14 H new ATOM 0 HG21 ILE A 86 2.928 14.159 2.120 1.00 44.22 H new ATOM 0 HG22 ILE A 86 2.916 15.820 2.760 1.00 44.22 H new ATOM 0 HG23 ILE A 86 3.388 15.520 1.070 1.00 44.22 H new ATOM 0 HD11 ILE A 86 5.609 11.844 1.046 1.00 72.31 H new ATOM 0 HD12 ILE A 86 5.048 12.134 2.710 1.00 72.31 H new ATOM 0 HD13 ILE A 86 4.000 12.547 1.333 1.00 72.31 H new ATOM 1326 N THR A 87 7.354 15.885 4.206 1.00 12.52 N ATOM 1327 CA THR A 87 8.721 15.653 4.741 1.00 32.12 C ATOM 1328 C THR A 87 8.988 14.135 4.937 1.00 71.44 C ATOM 1329 O THR A 87 9.530 13.482 4.039 1.00 50.42 O ATOM 1330 CB THR A 87 8.953 16.462 6.071 1.00 64.15 C ATOM 1331 OG1 THR A 87 8.731 17.864 5.835 1.00 43.03 O ATOM 1332 CG2 THR A 87 10.371 16.273 6.647 1.00 3.10 C ATOM 0 H THR A 87 6.616 15.788 4.903 1.00 12.52 H new ATOM 0 HA THR A 87 9.440 16.021 4.009 1.00 32.12 H new ATOM 0 HB THR A 87 8.243 16.074 6.801 1.00 64.15 H new ATOM 0 HG1 THR A 87 8.875 18.362 6.666 1.00 43.03 H new ATOM 0 HG21 THR A 87 10.472 16.855 7.563 1.00 3.10 H new ATOM 0 HG22 THR A 87 10.537 15.218 6.866 1.00 3.10 H new ATOM 0 HG23 THR A 87 11.108 16.612 5.919 1.00 3.10 H new ATOM 1340 N ASN A 88 8.582 13.565 6.093 1.00 52.13 N ATOM 1341 CA ASN A 88 8.838 12.139 6.415 1.00 64.54 C ATOM 1342 C ASN A 88 7.573 11.281 6.187 1.00 51.42 C ATOM 1343 O ASN A 88 6.564 11.438 6.877 1.00 40.42 O ATOM 1344 CB ASN A 88 9.389 11.986 7.865 1.00 44.05 C ATOM 1345 CG ASN A 88 8.551 12.692 8.934 1.00 62.11 C ATOM 1346 OD1 ASN A 88 8.794 13.847 9.255 1.00 2.40 O ATOM 1347 ND2 ASN A 88 7.556 12.018 9.487 1.00 73.13 N ATOM 0 H ASN A 88 8.075 14.069 6.821 1.00 52.13 H new ATOM 0 HA ASN A 88 9.605 11.769 5.734 1.00 64.54 H new ATOM 0 HB2 ASN A 88 9.449 10.925 8.109 1.00 44.05 H new ATOM 0 HB3 ASN A 88 10.405 12.379 7.899 1.00 44.05 H new ATOM 0 HD21 ASN A 88 6.973 12.461 10.197 1.00 73.13 H new ATOM 0 HD22 ASN A 88 7.372 11.056 9.203 1.00 73.13 H new ATOM 1354 N HIS A 89 7.633 10.413 5.170 1.00 42.11 N ATOM 1355 CA HIS A 89 6.561 9.441 4.857 1.00 2.42 C ATOM 1356 C HIS A 89 6.699 8.139 5.698 1.00 40.22 C ATOM 1357 O HIS A 89 7.799 7.776 6.128 1.00 61.44 O ATOM 1358 CB HIS A 89 6.590 9.130 3.340 1.00 73.41 C ATOM 1359 CG HIS A 89 5.520 8.175 2.876 1.00 41.34 C ATOM 1360 ND1 HIS A 89 5.835 6.977 2.289 1.00 23.41 N ATOM 1361 CD2 HIS A 89 4.172 8.298 2.926 1.00 74.34 C ATOM 1362 CE1 HIS A 89 4.691 6.400 2.001 1.00 13.31 C ATOM 1363 NE2 HIS A 89 3.650 7.164 2.371 1.00 22.12 N ATOM 0 H HIS A 89 8.428 10.359 4.533 1.00 42.11 H new ATOM 0 HA HIS A 89 5.599 9.882 5.120 1.00 2.42 H new ATOM 0 HB2 HIS A 89 6.489 10.065 2.789 1.00 73.41 H new ATOM 0 HB3 HIS A 89 7.565 8.714 3.086 1.00 73.41 H new ATOM 0 HD2 HIS A 89 3.616 9.133 3.328 1.00 74.34 H new ATOM 0 HE1 HIS A 89 4.599 5.434 1.527 1.00 13.31 H new ATOM 0 HE2 HIS A 89 2.661 6.941 2.259 1.00 22.12 H new ATOM 1371 N ARG A 90 5.554 7.480 5.974 1.00 22.04 N ATOM 1372 CA ARG A 90 5.509 6.146 6.612 1.00 24.51 C ATOM 1373 C ARG A 90 4.189 5.417 6.223 1.00 60.21 C ATOM 1374 O ARG A 90 3.113 5.827 6.649 1.00 32.32 O ATOM 1375 CB ARG A 90 5.603 6.320 8.159 1.00 52.01 C ATOM 1376 CG ARG A 90 5.774 5.017 8.966 1.00 64.13 C ATOM 1377 CD ARG A 90 7.121 4.316 8.710 1.00 53.53 C ATOM 1378 NE ARG A 90 7.324 3.167 9.618 1.00 4.22 N ATOM 1379 CZ ARG A 90 8.466 2.813 10.169 1.00 13.45 C ATOM 1380 NH1 ARG A 90 9.560 3.485 9.958 1.00 53.35 N ATOM 1381 NH2 ARG A 90 8.495 1.782 10.950 1.00 64.51 N ATOM 0 H ARG A 90 4.631 7.859 5.760 1.00 22.04 H new ATOM 0 HA ARG A 90 6.348 5.542 6.267 1.00 24.51 H new ATOM 0 HB2 ARG A 90 6.443 6.978 8.382 1.00 52.01 H new ATOM 0 HB3 ARG A 90 4.702 6.825 8.505 1.00 52.01 H new ATOM 0 HG2 ARG A 90 5.685 5.241 10.029 1.00 64.13 H new ATOM 0 HG3 ARG A 90 4.963 4.333 8.716 1.00 64.13 H new ATOM 0 HD2 ARG A 90 7.162 3.974 7.676 1.00 53.53 H new ATOM 0 HD3 ARG A 90 7.933 5.031 8.841 1.00 53.53 H new ATOM 0 HE ARG A 90 6.506 2.598 9.837 1.00 4.22 H new ATOM 0 HH11 ARG A 90 9.545 4.307 9.354 1.00 53.35 H new ATOM 0 HH12 ARG A 90 10.432 3.190 10.397 1.00 53.35 H new ATOM 0 HH21 ARG A 90 7.640 1.256 11.132 1.00 64.51 H new ATOM 0 HH22 ARG A 90 9.372 1.496 11.384 1.00 64.51 H new ATOM 1395 N ALA A 91 4.269 4.349 5.399 1.00 20.22 N ATOM 1396 CA ALA A 91 3.067 3.580 4.949 1.00 3.43 C ATOM 1397 C ALA A 91 3.239 2.054 5.125 1.00 30.25 C ATOM 1398 O ALA A 91 4.334 1.521 4.972 1.00 43.43 O ATOM 1399 CB ALA A 91 2.730 3.919 3.492 1.00 43.23 C ATOM 0 H ALA A 91 5.149 3.993 5.027 1.00 20.22 H new ATOM 0 HA ALA A 91 2.237 3.881 5.588 1.00 3.43 H new ATOM 0 HB1 ALA A 91 1.853 3.351 3.180 1.00 43.23 H new ATOM 0 HB2 ALA A 91 2.522 4.985 3.405 1.00 43.23 H new ATOM 0 HB3 ALA A 91 3.575 3.661 2.854 1.00 43.23 H new ATOM 1405 N VAL A 92 2.122 1.359 5.437 1.00 4.20 N ATOM 1406 CA VAL A 92 2.107 -0.087 5.773 1.00 53.01 C ATOM 1407 C VAL A 92 0.946 -0.840 5.030 1.00 52.34 C ATOM 1408 O VAL A 92 -0.144 -0.296 4.852 1.00 14.42 O ATOM 1409 CB VAL A 92 1.950 -0.294 7.338 1.00 63.11 C ATOM 1410 CG1 VAL A 92 2.050 -1.782 7.722 1.00 41.11 C ATOM 1411 CG2 VAL A 92 2.971 0.547 8.154 1.00 41.22 C ATOM 0 H VAL A 92 1.197 1.787 5.464 1.00 4.20 H new ATOM 0 HA VAL A 92 3.058 -0.505 5.443 1.00 53.01 H new ATOM 0 HB VAL A 92 0.953 0.064 7.596 1.00 63.11 H new ATOM 0 HG11 VAL A 92 1.938 -1.888 8.801 1.00 41.11 H new ATOM 0 HG12 VAL A 92 1.261 -2.341 7.219 1.00 41.11 H new ATOM 0 HG13 VAL A 92 3.022 -2.172 7.418 1.00 41.11 H new ATOM 0 HG21 VAL A 92 2.821 0.369 9.219 1.00 41.22 H new ATOM 0 HG22 VAL A 92 3.985 0.257 7.877 1.00 41.22 H new ATOM 0 HG23 VAL A 92 2.825 1.606 7.939 1.00 41.22 H new ATOM 1421 N LEU A 93 1.214 -2.105 4.618 1.00 51.01 N ATOM 1422 CA LEU A 93 0.214 -3.041 4.018 1.00 40.31 C ATOM 1423 C LEU A 93 -0.032 -4.223 4.996 1.00 12.45 C ATOM 1424 O LEU A 93 0.844 -5.068 5.161 1.00 73.40 O ATOM 1425 CB LEU A 93 0.723 -3.598 2.624 1.00 13.22 C ATOM 1426 CG LEU A 93 -0.028 -3.128 1.333 1.00 71.12 C ATOM 1427 CD1 LEU A 93 -1.551 -3.303 1.467 1.00 63.13 C ATOM 1428 CD2 LEU A 93 0.352 -1.692 0.940 1.00 0.41 C ATOM 0 H LEU A 93 2.145 -2.515 4.692 1.00 51.01 H new ATOM 0 HA LEU A 93 -0.716 -2.497 3.849 1.00 40.31 H new ATOM 0 HB2 LEU A 93 1.773 -3.327 2.518 1.00 13.22 H new ATOM 0 HB3 LEU A 93 0.677 -4.686 2.661 1.00 13.22 H new ATOM 0 HG LEU A 93 0.298 -3.775 0.518 1.00 71.12 H new ATOM 0 HD11 LEU A 93 -2.038 -2.966 0.552 1.00 63.13 H new ATOM 0 HD12 LEU A 93 -1.783 -4.355 1.636 1.00 63.13 H new ATOM 0 HD13 LEU A 93 -1.912 -2.712 2.309 1.00 63.13 H new ATOM 0 HD21 LEU A 93 -0.191 -1.405 0.040 1.00 0.41 H new ATOM 0 HD22 LEU A 93 0.093 -1.012 1.752 1.00 0.41 H new ATOM 0 HD23 LEU A 93 1.424 -1.638 0.750 1.00 0.41 H new ATOM 1440 N GLU A 94 -1.217 -4.295 5.629 1.00 12.14 N ATOM 1441 CA GLU A 94 -1.540 -5.363 6.618 1.00 31.11 C ATOM 1442 C GLU A 94 -2.727 -6.239 6.151 1.00 55.51 C ATOM 1443 O GLU A 94 -3.868 -5.775 6.086 1.00 60.21 O ATOM 1444 CB GLU A 94 -1.828 -4.722 8.005 1.00 74.12 C ATOM 1445 CG GLU A 94 -0.586 -4.088 8.660 1.00 41.21 C ATOM 1446 CD GLU A 94 -0.885 -3.332 9.964 1.00 60.14 C ATOM 1447 OE1 GLU A 94 -0.903 -3.969 11.044 1.00 53.50 O ATOM 1448 OE2 GLU A 94 -1.082 -2.100 9.915 1.00 13.03 O ATOM 0 H GLU A 94 -1.975 -3.629 5.479 1.00 12.14 H new ATOM 0 HA GLU A 94 -0.677 -6.023 6.704 1.00 31.11 H new ATOM 0 HB2 GLU A 94 -2.598 -3.959 7.891 1.00 74.12 H new ATOM 0 HB3 GLU A 94 -2.231 -5.484 8.672 1.00 74.12 H new ATOM 0 HG2 GLU A 94 0.144 -4.871 8.865 1.00 41.21 H new ATOM 0 HG3 GLU A 94 -0.125 -3.401 7.951 1.00 41.21 H new ATOM 1455 N VAL A 95 -2.443 -7.522 5.842 1.00 15.55 N ATOM 1456 CA VAL A 95 -3.471 -8.497 5.422 1.00 4.54 C ATOM 1457 C VAL A 95 -3.914 -9.357 6.635 1.00 41.23 C ATOM 1458 O VAL A 95 -3.142 -10.173 7.153 1.00 0.03 O ATOM 1459 CB VAL A 95 -2.955 -9.423 4.255 1.00 64.33 C ATOM 1460 CG1 VAL A 95 -4.088 -10.333 3.714 1.00 3.20 C ATOM 1461 CG2 VAL A 95 -2.334 -8.582 3.112 1.00 62.01 C ATOM 0 H VAL A 95 -1.500 -7.909 5.876 1.00 15.55 H new ATOM 0 HA VAL A 95 -4.327 -7.938 5.044 1.00 4.54 H new ATOM 0 HB VAL A 95 -2.177 -10.067 4.665 1.00 64.33 H new ATOM 0 HG11 VAL A 95 -3.700 -10.959 2.911 1.00 3.20 H new ATOM 0 HG12 VAL A 95 -4.462 -10.966 4.519 1.00 3.20 H new ATOM 0 HG13 VAL A 95 -4.900 -9.715 3.332 1.00 3.20 H new ATOM 0 HG21 VAL A 95 -1.986 -9.245 2.320 1.00 62.01 H new ATOM 0 HG22 VAL A 95 -3.085 -7.901 2.711 1.00 62.01 H new ATOM 0 HG23 VAL A 95 -1.493 -8.007 3.499 1.00 62.01 H new ATOM 1471 N VAL A 96 -5.166 -9.159 7.076 1.00 51.20 N ATOM 1472 CA VAL A 96 -5.741 -9.830 8.265 1.00 44.11 C ATOM 1473 C VAL A 96 -6.845 -10.854 7.856 1.00 32.34 C ATOM 1474 O VAL A 96 -7.721 -10.527 7.048 1.00 5.22 O ATOM 1475 CB VAL A 96 -6.323 -8.769 9.294 1.00 52.55 C ATOM 1476 CG1 VAL A 96 -5.180 -7.994 10.001 1.00 52.14 C ATOM 1477 CG2 VAL A 96 -7.306 -7.781 8.616 1.00 54.33 C ATOM 0 H VAL A 96 -5.818 -8.524 6.617 1.00 51.20 H new ATOM 0 HA VAL A 96 -4.935 -10.376 8.755 1.00 44.11 H new ATOM 0 HB VAL A 96 -6.882 -9.328 10.044 1.00 52.55 H new ATOM 0 HG11 VAL A 96 -5.606 -7.274 10.700 1.00 52.14 H new ATOM 0 HG12 VAL A 96 -4.546 -8.695 10.544 1.00 52.14 H new ATOM 0 HG13 VAL A 96 -4.583 -7.467 9.257 1.00 52.14 H new ATOM 0 HG21 VAL A 96 -7.679 -7.074 9.356 1.00 54.33 H new ATOM 0 HG22 VAL A 96 -6.789 -7.239 7.825 1.00 54.33 H new ATOM 0 HG23 VAL A 96 -8.142 -8.335 8.189 1.00 54.33 H new ATOM 1487 N PRO A 97 -6.806 -12.132 8.382 1.00 25.41 N ATOM 1488 CA PRO A 97 -7.877 -13.139 8.148 1.00 74.11 C ATOM 1489 C PRO A 97 -9.182 -12.792 8.923 1.00 22.44 C ATOM 1490 O PRO A 97 -9.427 -13.293 10.029 1.00 63.31 O ATOM 1491 CB PRO A 97 -7.243 -14.486 8.636 1.00 22.35 C ATOM 1492 CG PRO A 97 -5.785 -14.179 8.859 1.00 22.03 C ATOM 1493 CD PRO A 97 -5.722 -12.709 9.210 1.00 71.41 C ATOM 0 HA PRO A 97 -8.186 -13.182 7.104 1.00 74.11 H new ATOM 0 HB2 PRO A 97 -7.717 -14.834 9.554 1.00 22.35 H new ATOM 0 HB3 PRO A 97 -7.370 -15.273 7.893 1.00 22.35 H new ATOM 0 HG2 PRO A 97 -5.375 -14.791 9.663 1.00 22.03 H new ATOM 0 HG3 PRO A 97 -5.199 -14.393 7.965 1.00 22.03 H new ATOM 0 HD2 PRO A 97 -5.890 -12.539 10.273 1.00 71.41 H new ATOM 0 HD3 PRO A 97 -4.752 -12.275 8.967 1.00 71.41 H new ATOM 1501 N ARG A 98 -9.985 -11.881 8.335 1.00 33.50 N ATOM 1502 CA ARG A 98 -11.255 -11.376 8.933 1.00 0.20 C ATOM 1503 C ARG A 98 -12.304 -12.523 9.060 1.00 51.02 C ATOM 1504 O ARG A 98 -13.080 -12.590 10.021 1.00 62.40 O ATOM 1505 CB ARG A 98 -11.792 -10.199 8.041 1.00 73.41 C ATOM 1506 CG ARG A 98 -12.567 -9.064 8.768 1.00 1.22 C ATOM 1507 CD ARG A 98 -13.883 -9.504 9.439 1.00 0.11 C ATOM 1508 NE ARG A 98 -14.806 -10.154 8.491 1.00 53.31 N ATOM 1509 CZ ARG A 98 -15.980 -10.665 8.799 1.00 13.24 C ATOM 1510 NH1 ARG A 98 -16.475 -10.564 9.998 1.00 22.34 N ATOM 1511 NH2 ARG A 98 -16.667 -11.264 7.888 1.00 2.24 N ATOM 0 H ARG A 98 -9.776 -11.468 7.426 1.00 33.50 H new ATOM 0 HA ARG A 98 -11.070 -11.006 9.942 1.00 0.20 H new ATOM 0 HB2 ARG A 98 -10.944 -9.752 7.522 1.00 73.41 H new ATOM 0 HB3 ARG A 98 -12.446 -10.622 7.278 1.00 73.41 H new ATOM 0 HG2 ARG A 98 -11.917 -8.628 9.527 1.00 1.22 H new ATOM 0 HG3 ARG A 98 -12.789 -8.276 8.048 1.00 1.22 H new ATOM 0 HD2 ARG A 98 -13.660 -10.192 10.254 1.00 0.11 H new ATOM 0 HD3 ARG A 98 -14.371 -8.635 9.880 1.00 0.11 H new ATOM 0 HE ARG A 98 -14.511 -10.213 7.516 1.00 53.31 H new ATOM 0 HH11 ARG A 98 -15.951 -10.080 10.727 1.00 22.34 H new ATOM 0 HH12 ARG A 98 -17.387 -10.969 10.209 1.00 22.34 H new ATOM 0 HH21 ARG A 98 -16.300 -11.339 6.939 1.00 2.24 H new ATOM 0 HH22 ARG A 98 -17.577 -11.663 8.116 1.00 2.24 H new ATOM 1525 N ASP A 99 -12.278 -13.418 8.072 1.00 1.13 N ATOM 1526 CA ASP A 99 -13.188 -14.570 7.941 1.00 23.21 C ATOM 1527 C ASP A 99 -12.376 -15.802 7.428 1.00 74.34 C ATOM 1528 O ASP A 99 -11.175 -15.689 7.148 1.00 42.21 O ATOM 1529 CB ASP A 99 -14.343 -14.157 6.973 1.00 32.24 C ATOM 1530 CG ASP A 99 -15.309 -15.291 6.594 1.00 62.31 C ATOM 1531 OD1 ASP A 99 -16.137 -15.695 7.435 1.00 52.33 O ATOM 1532 OD2 ASP A 99 -15.219 -15.800 5.453 1.00 72.22 O ATOM 0 H ASP A 99 -11.601 -13.364 7.311 1.00 1.13 H new ATOM 0 HA ASP A 99 -13.630 -14.856 8.895 1.00 23.21 H new ATOM 0 HB2 ASP A 99 -14.915 -13.352 7.436 1.00 32.24 H new ATOM 0 HB3 ASP A 99 -13.905 -13.753 6.060 1.00 32.24 H new ATOM 1537 N ASP A 100 -13.026 -16.977 7.353 1.00 54.53 N ATOM 1538 CA ASP A 100 -12.447 -18.192 6.741 1.00 73.03 C ATOM 1539 C ASP A 100 -12.107 -17.956 5.246 1.00 43.33 C ATOM 1540 O ASP A 100 -10.934 -17.872 4.868 1.00 51.21 O ATOM 1541 CB ASP A 100 -13.438 -19.372 6.874 1.00 23.03 C ATOM 1542 CG ASP A 100 -13.854 -19.640 8.325 1.00 50.14 C ATOM 1543 OD1 ASP A 100 -14.828 -19.008 8.798 1.00 32.01 O ATOM 1544 OD2 ASP A 100 -13.216 -20.478 8.999 1.00 21.21 O ATOM 0 H ASP A 100 -13.970 -17.114 7.715 1.00 54.53 H new ATOM 0 HA ASP A 100 -11.523 -18.432 7.268 1.00 73.03 H new ATOM 0 HB2 ASP A 100 -14.327 -19.162 6.279 1.00 23.03 H new ATOM 0 HB3 ASP A 100 -12.982 -20.271 6.460 1.00 23.03 H new ATOM 1549 N ARG A 101 -13.157 -17.797 4.415 1.00 64.21 N ATOM 1550 CA ARG A 101 -13.007 -17.644 2.950 1.00 72.11 C ATOM 1551 C ARG A 101 -12.655 -16.186 2.557 1.00 51.53 C ATOM 1552 O ARG A 101 -12.231 -15.924 1.432 1.00 72.01 O ATOM 1553 CB ARG A 101 -14.318 -18.083 2.232 1.00 52.21 C ATOM 1554 CG ARG A 101 -14.178 -18.241 0.697 1.00 3.15 C ATOM 1555 CD ARG A 101 -15.513 -18.492 -0.030 1.00 5.14 C ATOM 1556 NE ARG A 101 -16.193 -19.721 0.421 1.00 62.44 N ATOM 1557 CZ ARG A 101 -16.989 -20.469 -0.319 1.00 35.41 C ATOM 1558 NH1 ARG A 101 -17.152 -20.238 -1.589 1.00 21.41 N ATOM 1559 NH2 ARG A 101 -17.593 -21.475 0.222 1.00 55.15 N ATOM 0 H ARG A 101 -14.125 -17.771 4.735 1.00 64.21 H new ATOM 0 HA ARG A 101 -12.183 -18.283 2.633 1.00 72.11 H new ATOM 0 HB2 ARG A 101 -14.651 -19.031 2.655 1.00 52.21 H new ATOM 0 HB3 ARG A 101 -15.097 -17.350 2.441 1.00 52.21 H new ATOM 0 HG2 ARG A 101 -13.718 -17.341 0.290 1.00 3.15 H new ATOM 0 HG3 ARG A 101 -13.500 -19.069 0.487 1.00 3.15 H new ATOM 0 HD2 ARG A 101 -16.173 -17.639 0.129 1.00 5.14 H new ATOM 0 HD3 ARG A 101 -15.330 -18.558 -1.102 1.00 5.14 H new ATOM 0 HE ARG A 101 -16.035 -20.017 1.384 1.00 62.44 H new ATOM 0 HH11 ARG A 101 -16.659 -19.464 -2.034 1.00 21.41 H new ATOM 0 HH12 ARG A 101 -17.773 -20.831 -2.140 1.00 21.41 H new ATOM 0 HH21 ARG A 101 -17.452 -21.683 1.210 1.00 55.15 H new ATOM 0 HH22 ARG A 101 -18.211 -22.061 -0.339 1.00 55.15 H new ATOM 1573 N HIS A 102 -12.841 -15.232 3.485 1.00 13.15 N ATOM 1574 CA HIS A 102 -12.647 -13.792 3.202 1.00 35.03 C ATOM 1575 C HIS A 102 -11.564 -13.184 4.107 1.00 42.14 C ATOM 1576 O HIS A 102 -11.407 -13.577 5.259 1.00 53.34 O ATOM 1577 CB HIS A 102 -13.983 -13.030 3.369 1.00 32.35 C ATOM 1578 CG HIS A 102 -15.077 -13.555 2.481 1.00 72.15 C ATOM 1579 ND1 HIS A 102 -15.984 -14.512 2.885 1.00 14.43 N ATOM 1580 CD2 HIS A 102 -15.372 -13.291 1.190 1.00 32.41 C ATOM 1581 CE1 HIS A 102 -16.778 -14.812 1.888 1.00 62.24 C ATOM 1582 NE2 HIS A 102 -16.430 -14.090 0.851 1.00 64.04 N ATOM 0 H HIS A 102 -13.127 -15.430 4.444 1.00 13.15 H new ATOM 0 HA HIS A 102 -12.310 -13.694 2.170 1.00 35.03 H new ATOM 0 HB2 HIS A 102 -14.304 -13.096 4.409 1.00 32.35 H new ATOM 0 HB3 HIS A 102 -13.822 -11.974 3.151 1.00 32.35 H new ATOM 0 HD1 HIS A 102 -16.029 -14.923 3.817 1.00 14.43 H new ATOM 0 HD2 HIS A 102 -14.869 -12.584 0.547 1.00 32.41 H new ATOM 0 HE1 HIS A 102 -17.583 -15.532 1.915 1.00 62.24 H new ATOM 1591 N CYS A 103 -10.830 -12.207 3.574 1.00 73.20 N ATOM 1592 CA CYS A 103 -9.786 -11.475 4.321 1.00 51.21 C ATOM 1593 C CYS A 103 -9.959 -9.962 4.112 1.00 30.21 C ATOM 1594 O CYS A 103 -10.834 -9.517 3.359 1.00 63.01 O ATOM 1595 CB CYS A 103 -8.384 -11.929 3.861 1.00 41.04 C ATOM 1596 SG CYS A 103 -8.031 -11.609 2.121 1.00 53.43 S ATOM 0 H CYS A 103 -10.937 -11.894 2.609 1.00 73.20 H new ATOM 0 HA CYS A 103 -9.887 -11.695 5.384 1.00 51.21 H new ATOM 0 HB2 CYS A 103 -7.634 -11.424 4.470 1.00 41.04 H new ATOM 0 HB3 CYS A 103 -8.281 -12.998 4.049 1.00 41.04 H new ATOM 0 HG CYS A 103 -8.405 -12.629 1.408 1.00 53.43 H new ATOM 1602 N THR A 104 -9.127 -9.174 4.801 1.00 52.43 N ATOM 1603 CA THR A 104 -9.137 -7.706 4.697 1.00 30.01 C ATOM 1604 C THR A 104 -7.714 -7.184 4.459 1.00 11.01 C ATOM 1605 O THR A 104 -6.798 -7.490 5.222 1.00 54.30 O ATOM 1606 CB THR A 104 -9.743 -7.040 5.976 1.00 52.30 C ATOM 1607 OG1 THR A 104 -11.122 -7.426 6.126 1.00 34.33 O ATOM 1608 CG2 THR A 104 -9.652 -5.502 5.932 1.00 73.24 C ATOM 0 H THR A 104 -8.426 -9.534 5.448 1.00 52.43 H new ATOM 0 HA THR A 104 -9.769 -7.439 3.850 1.00 30.01 H new ATOM 0 HB THR A 104 -9.157 -7.388 6.826 1.00 52.30 H new ATOM 0 HG1 THR A 104 -11.538 -6.887 6.831 1.00 34.33 H new ATOM 0 HG21 THR A 104 -10.085 -5.086 6.841 1.00 73.24 H new ATOM 0 HG22 THR A 104 -8.607 -5.201 5.858 1.00 73.24 H new ATOM 0 HG23 THR A 104 -10.199 -5.130 5.066 1.00 73.24 H new ATOM 1616 N VAL A 105 -7.537 -6.404 3.384 1.00 0.12 N ATOM 1617 CA VAL A 105 -6.259 -5.744 3.070 1.00 51.14 C ATOM 1618 C VAL A 105 -6.341 -4.270 3.517 1.00 1.32 C ATOM 1619 O VAL A 105 -7.031 -3.460 2.886 1.00 11.25 O ATOM 1620 CB VAL A 105 -5.931 -5.827 1.536 1.00 31.43 C ATOM 1621 CG1 VAL A 105 -4.488 -5.354 1.239 1.00 61.53 C ATOM 1622 CG2 VAL A 105 -6.171 -7.252 1.001 1.00 5.12 C ATOM 0 H VAL A 105 -8.275 -6.212 2.706 1.00 0.12 H new ATOM 0 HA VAL A 105 -5.457 -6.255 3.603 1.00 51.14 H new ATOM 0 HB VAL A 105 -6.609 -5.151 1.014 1.00 31.43 H new ATOM 0 HG11 VAL A 105 -4.295 -5.425 0.169 1.00 61.53 H new ATOM 0 HG12 VAL A 105 -4.371 -4.319 1.561 1.00 61.53 H new ATOM 0 HG13 VAL A 105 -3.780 -5.984 1.778 1.00 61.53 H new ATOM 0 HG21 VAL A 105 -5.937 -7.285 -0.063 1.00 5.12 H new ATOM 0 HG22 VAL A 105 -5.531 -7.954 1.535 1.00 5.12 H new ATOM 0 HG23 VAL A 105 -7.215 -7.526 1.152 1.00 5.12 H new ATOM 1632 N VAL A 106 -5.658 -3.942 4.623 1.00 32.24 N ATOM 1633 CA VAL A 106 -5.659 -2.589 5.201 1.00 13.03 C ATOM 1634 C VAL A 106 -4.421 -1.827 4.696 1.00 53.53 C ATOM 1635 O VAL A 106 -3.287 -2.183 5.040 1.00 31.04 O ATOM 1636 CB VAL A 106 -5.649 -2.611 6.782 1.00 33.44 C ATOM 1637 CG1 VAL A 106 -5.776 -1.179 7.378 1.00 14.45 C ATOM 1638 CG2 VAL A 106 -6.749 -3.548 7.338 1.00 33.41 C ATOM 0 H VAL A 106 -5.088 -4.608 5.144 1.00 32.24 H new ATOM 0 HA VAL A 106 -6.577 -2.093 4.886 1.00 13.03 H new ATOM 0 HB VAL A 106 -4.683 -3.009 7.094 1.00 33.44 H new ATOM 0 HG11 VAL A 106 -5.765 -1.236 8.466 1.00 14.45 H new ATOM 0 HG12 VAL A 106 -4.940 -0.568 7.038 1.00 14.45 H new ATOM 0 HG13 VAL A 106 -6.712 -0.729 7.047 1.00 14.45 H new ATOM 0 HG21 VAL A 106 -6.716 -3.541 8.427 1.00 33.41 H new ATOM 0 HG22 VAL A 106 -7.726 -3.201 7.002 1.00 33.41 H new ATOM 0 HG23 VAL A 106 -6.580 -4.562 6.976 1.00 33.41 H new ATOM 1648 N TRP A 107 -4.635 -0.789 3.876 1.00 30.34 N ATOM 1649 CA TRP A 107 -3.544 0.071 3.396 1.00 44.42 C ATOM 1650 C TRP A 107 -3.557 1.386 4.203 1.00 60.32 C ATOM 1651 O TRP A 107 -4.481 2.199 4.094 1.00 23.43 O ATOM 1652 CB TRP A 107 -3.673 0.347 1.876 1.00 44.42 C ATOM 1653 CG TRP A 107 -2.426 0.923 1.228 1.00 3.40 C ATOM 1654 CD1 TRP A 107 -1.269 1.348 1.842 1.00 75.51 C ATOM 1655 CD2 TRP A 107 -2.224 1.129 -0.168 1.00 62.33 C ATOM 1656 NE1 TRP A 107 -0.375 1.786 0.910 1.00 54.52 N ATOM 1657 CE2 TRP A 107 -0.932 1.663 -0.332 1.00 41.20 C ATOM 1658 CE3 TRP A 107 -3.009 0.902 -1.296 1.00 11.03 C ATOM 1659 CZ2 TRP A 107 -0.412 1.983 -1.581 1.00 72.54 C ATOM 1660 CZ3 TRP A 107 -2.498 1.226 -2.531 1.00 24.24 C ATOM 1661 CH2 TRP A 107 -1.204 1.753 -2.668 1.00 64.02 C ATOM 0 H TRP A 107 -5.557 -0.524 3.530 1.00 30.34 H new ATOM 0 HA TRP A 107 -2.592 -0.437 3.545 1.00 44.42 H new ATOM 0 HB2 TRP A 107 -3.931 -0.584 1.372 1.00 44.42 H new ATOM 0 HB3 TRP A 107 -4.502 1.037 1.715 1.00 44.42 H new ATOM 0 HD1 TRP A 107 -1.095 1.336 2.908 1.00 75.51 H new ATOM 0 HE1 TRP A 107 0.558 2.147 1.108 1.00 54.52 H new ATOM 0 HE3 TRP A 107 -3.999 0.480 -1.203 1.00 11.03 H new ATOM 0 HZ2 TRP A 107 0.580 2.397 -1.687 1.00 72.54 H new ATOM 0 HZ3 TRP A 107 -3.104 1.072 -3.412 1.00 24.24 H new ATOM 0 HH2 TRP A 107 -0.828 1.981 -3.654 1.00 64.02 H new ATOM 1672 N THR A 108 -2.513 1.571 5.009 1.00 73.14 N ATOM 1673 CA THR A 108 -2.359 2.720 5.909 1.00 64.42 C ATOM 1674 C THR A 108 -1.172 3.583 5.440 1.00 73.32 C ATOM 1675 O THR A 108 -0.185 3.060 4.931 1.00 72.44 O ATOM 1676 CB THR A 108 -2.118 2.229 7.380 1.00 44.20 C ATOM 1677 OG1 THR A 108 -3.175 1.332 7.766 1.00 1.32 O ATOM 1678 CG2 THR A 108 -2.042 3.390 8.393 1.00 13.30 C ATOM 0 H THR A 108 -1.733 0.915 5.058 1.00 73.14 H new ATOM 0 HA THR A 108 -3.271 3.316 5.887 1.00 64.42 H new ATOM 0 HB THR A 108 -1.154 1.721 7.394 1.00 44.20 H new ATOM 0 HG1 THR A 108 -3.024 1.024 8.684 1.00 1.32 H new ATOM 0 HG21 THR A 108 -1.874 2.990 9.393 1.00 13.30 H new ATOM 0 HG22 THR A 108 -1.220 4.054 8.125 1.00 13.30 H new ATOM 0 HG23 THR A 108 -2.978 3.948 8.378 1.00 13.30 H new ATOM 1686 N ALA A 109 -1.298 4.900 5.587 1.00 12.15 N ATOM 1687 CA ALA A 109 -0.216 5.860 5.329 1.00 33.24 C ATOM 1688 C ALA A 109 -0.307 7.004 6.338 1.00 51.40 C ATOM 1689 O ALA A 109 -1.378 7.323 6.819 1.00 41.51 O ATOM 1690 CB ALA A 109 -0.281 6.407 3.894 1.00 14.53 C ATOM 0 H ALA A 109 -2.165 5.341 5.893 1.00 12.15 H new ATOM 0 HA ALA A 109 0.739 5.346 5.440 1.00 33.24 H new ATOM 0 HB1 ALA A 109 0.533 7.114 3.737 1.00 14.53 H new ATOM 0 HB2 ALA A 109 -0.188 5.583 3.186 1.00 14.53 H new ATOM 0 HB3 ALA A 109 -1.235 6.912 3.740 1.00 14.53 H new ATOM 1696 N MET A 110 0.841 7.577 6.674 1.00 71.31 N ATOM 1697 CA MET A 110 0.955 8.745 7.560 1.00 74.54 C ATOM 1698 C MET A 110 2.276 9.463 7.255 1.00 13.35 C ATOM 1699 O MET A 110 3.337 8.837 7.192 1.00 55.22 O ATOM 1700 CB MET A 110 0.840 8.369 9.075 1.00 20.34 C ATOM 1701 CG MET A 110 1.603 7.108 9.514 1.00 50.22 C ATOM 1702 SD MET A 110 0.811 5.589 8.926 1.00 14.22 S ATOM 1703 CE MET A 110 1.891 4.313 9.565 1.00 71.14 C ATOM 0 H MET A 110 1.743 7.241 6.335 1.00 71.31 H new ATOM 0 HA MET A 110 0.117 9.414 7.363 1.00 74.54 H new ATOM 0 HB2 MET A 110 1.198 9.211 9.667 1.00 20.34 H new ATOM 0 HB3 MET A 110 -0.214 8.235 9.317 1.00 20.34 H new ATOM 0 HG2 MET A 110 2.624 7.153 9.135 1.00 50.22 H new ATOM 0 HG3 MET A 110 1.667 7.085 10.602 1.00 50.22 H new ATOM 0 HE1 MET A 110 2.309 3.742 8.736 1.00 71.14 H new ATOM 0 HE2 MET A 110 2.700 4.772 10.134 1.00 71.14 H new ATOM 0 HE3 MET A 110 1.323 3.647 10.215 1.00 71.14 H new ATOM 1713 N PHE A 111 2.195 10.778 7.061 1.00 4.03 N ATOM 1714 CA PHE A 111 3.327 11.593 6.586 1.00 52.44 C ATOM 1715 C PHE A 111 3.264 13.015 7.157 1.00 2.11 C ATOM 1716 O PHE A 111 2.181 13.522 7.477 1.00 21.44 O ATOM 1717 CB PHE A 111 3.408 11.584 5.022 1.00 70.43 C ATOM 1718 CG PHE A 111 2.072 11.709 4.276 1.00 42.11 C ATOM 1719 CD1 PHE A 111 1.450 12.941 4.112 1.00 72.22 C ATOM 1720 CD2 PHE A 111 1.450 10.584 3.718 1.00 11.12 C ATOM 1721 CE1 PHE A 111 0.258 13.053 3.420 1.00 23.43 C ATOM 1722 CE2 PHE A 111 0.261 10.697 3.026 1.00 62.32 C ATOM 1723 CZ PHE A 111 -0.334 11.933 2.878 1.00 3.04 C ATOM 0 H PHE A 111 1.344 11.315 7.227 1.00 4.03 H new ATOM 0 HA PHE A 111 4.249 11.145 6.956 1.00 52.44 H new ATOM 0 HB2 PHE A 111 4.055 12.403 4.707 1.00 70.43 H new ATOM 0 HB3 PHE A 111 3.891 10.658 4.709 1.00 70.43 H new ATOM 0 HD1 PHE A 111 1.905 13.826 4.532 1.00 72.22 H new ATOM 0 HD2 PHE A 111 1.908 9.613 3.831 1.00 11.12 H new ATOM 0 HE1 PHE A 111 -0.210 14.020 3.304 1.00 23.43 H new ATOM 0 HE2 PHE A 111 -0.203 9.819 2.601 1.00 62.32 H new ATOM 0 HZ PHE A 111 -1.264 12.023 2.337 1.00 3.04 H new ATOM 1733 N ASP A 112 4.447 13.643 7.299 1.00 52.42 N ATOM 1734 CA ASP A 112 4.563 15.003 7.837 1.00 73.43 C ATOM 1735 C ASP A 112 4.145 16.020 6.754 1.00 62.42 C ATOM 1736 O ASP A 112 4.964 16.476 5.950 1.00 60.00 O ATOM 1737 CB ASP A 112 6.005 15.256 8.336 1.00 61.43 C ATOM 1738 CG ASP A 112 6.141 16.534 9.183 1.00 42.51 C ATOM 1739 OD1 ASP A 112 6.300 17.634 8.612 1.00 13.45 O ATOM 1740 OD2 ASP A 112 6.079 16.450 10.428 1.00 13.30 O ATOM 0 H ASP A 112 5.340 13.222 7.045 1.00 52.42 H new ATOM 0 HA ASP A 112 3.896 15.123 8.691 1.00 73.43 H new ATOM 0 HB2 ASP A 112 6.333 14.401 8.927 1.00 61.43 H new ATOM 0 HB3 ASP A 112 6.672 15.325 7.477 1.00 61.43 H new ATOM 1745 N CYS A 113 2.835 16.270 6.690 1.00 75.12 N ATOM 1746 CA CYS A 113 2.228 17.235 5.750 1.00 73.32 C ATOM 1747 C CYS A 113 1.479 18.341 6.504 1.00 23.30 C ATOM 1748 O CYS A 113 0.916 18.101 7.580 1.00 52.51 O ATOM 1749 CB CYS A 113 1.253 16.511 4.805 1.00 24.42 C ATOM 1750 SG CYS A 113 0.425 17.590 3.616 1.00 21.40 S ATOM 0 H CYS A 113 2.154 15.808 7.292 1.00 75.12 H new ATOM 0 HA CYS A 113 3.031 17.690 5.170 1.00 73.32 H new ATOM 0 HB2 CYS A 113 1.799 15.741 4.260 1.00 24.42 H new ATOM 0 HB3 CYS A 113 0.497 16.002 5.403 1.00 24.42 H new ATOM 0 HG CYS A 113 -0.319 18.446 4.252 1.00 21.40 H new ATOM 1756 N SER A 114 1.475 19.549 5.921 1.00 3.20 N ATOM 1757 CA SER A 114 0.694 20.697 6.427 1.00 21.12 C ATOM 1758 C SER A 114 -0.823 20.366 6.439 1.00 74.32 C ATOM 1759 O SER A 114 -1.312 19.843 5.448 1.00 30.51 O ATOM 1760 CB SER A 114 0.951 21.931 5.533 1.00 40.44 C ATOM 1761 OG SER A 114 2.313 22.313 5.554 1.00 30.03 O ATOM 0 H SER A 114 2.014 19.762 5.082 1.00 3.20 H new ATOM 0 HA SER A 114 1.010 20.911 7.448 1.00 21.12 H new ATOM 0 HB2 SER A 114 0.650 21.709 4.509 1.00 40.44 H new ATOM 0 HB3 SER A 114 0.334 22.763 5.873 1.00 40.44 H new ATOM 0 HG SER A 114 2.442 23.095 4.978 1.00 30.03 H new ATOM 1767 N PRO A 115 -1.574 20.638 7.569 1.00 53.34 N ATOM 1768 CA PRO A 115 -3.056 20.382 7.674 1.00 64.55 C ATOM 1769 C PRO A 115 -3.877 20.834 6.433 1.00 65.14 C ATOM 1770 O PRO A 115 -4.713 20.081 5.909 1.00 40.45 O ATOM 1771 CB PRO A 115 -3.451 21.214 8.918 1.00 75.11 C ATOM 1772 CG PRO A 115 -2.234 21.177 9.792 1.00 22.33 C ATOM 1773 CD PRO A 115 -1.037 21.177 8.856 1.00 71.13 C ATOM 0 HA PRO A 115 -3.270 19.315 7.742 1.00 64.55 H new ATOM 0 HB2 PRO A 115 -3.714 22.236 8.646 1.00 75.11 H new ATOM 0 HB3 PRO A 115 -4.317 20.786 9.424 1.00 75.11 H new ATOM 0 HG2 PRO A 115 -2.207 22.040 10.458 1.00 22.33 H new ATOM 0 HG3 PRO A 115 -2.235 20.288 10.422 1.00 22.33 H new ATOM 0 HD2 PRO A 115 -0.632 22.181 8.729 1.00 71.13 H new ATOM 0 HD3 PRO A 115 -0.230 20.554 9.242 1.00 71.13 H new ATOM 1781 N GLU A 116 -3.579 22.060 5.967 1.00 33.11 N ATOM 1782 CA GLU A 116 -4.243 22.698 4.801 1.00 10.32 C ATOM 1783 C GLU A 116 -4.004 21.913 3.479 1.00 11.33 C ATOM 1784 O GLU A 116 -4.847 21.922 2.577 1.00 2.00 O ATOM 1785 CB GLU A 116 -3.735 24.166 4.668 1.00 11.31 C ATOM 1786 CG GLU A 116 -3.885 24.998 5.961 1.00 0.34 C ATOM 1787 CD GLU A 116 -3.365 26.448 5.847 1.00 0.04 C ATOM 1788 OE1 GLU A 116 -2.133 26.640 5.792 1.00 64.35 O ATOM 1789 OE2 GLU A 116 -4.182 27.396 5.837 1.00 30.41 O ATOM 0 H GLU A 116 -2.862 22.649 6.391 1.00 33.11 H new ATOM 0 HA GLU A 116 -5.319 22.689 4.975 1.00 10.32 H new ATOM 0 HB2 GLU A 116 -2.685 24.152 4.376 1.00 11.31 H new ATOM 0 HB3 GLU A 116 -4.283 24.659 3.865 1.00 11.31 H new ATOM 0 HG2 GLU A 116 -4.938 25.023 6.243 1.00 0.34 H new ATOM 0 HG3 GLU A 116 -3.351 24.495 6.767 1.00 0.34 H new ATOM 1796 N THR A 117 -2.839 21.250 3.379 1.00 20.22 N ATOM 1797 CA THR A 117 -2.468 20.406 2.211 1.00 45.12 C ATOM 1798 C THR A 117 -2.903 18.921 2.394 1.00 61.34 C ATOM 1799 O THR A 117 -3.245 18.243 1.426 1.00 72.40 O ATOM 1800 CB THR A 117 -0.920 20.472 1.960 1.00 72.25 C ATOM 1801 OG1 THR A 117 -0.490 21.843 1.939 1.00 24.54 O ATOM 1802 CG2 THR A 117 -0.501 19.795 0.635 1.00 62.35 C ATOM 0 H THR A 117 -2.121 21.279 4.103 1.00 20.22 H new ATOM 0 HA THR A 117 -3.000 20.806 1.348 1.00 45.12 H new ATOM 0 HB THR A 117 -0.443 19.929 2.776 1.00 72.25 H new ATOM 0 HG1 THR A 117 0.477 21.880 1.784 1.00 24.54 H new ATOM 0 HG21 THR A 117 0.580 19.871 0.513 1.00 62.35 H new ATOM 0 HG22 THR A 117 -0.791 18.745 0.656 1.00 62.35 H new ATOM 0 HG23 THR A 117 -0.996 20.292 -0.200 1.00 62.35 H new ATOM 1810 N ALA A 118 -2.908 18.435 3.655 1.00 22.44 N ATOM 1811 CA ALA A 118 -3.119 16.994 3.988 1.00 23.22 C ATOM 1812 C ALA A 118 -4.559 16.524 3.672 1.00 64.25 C ATOM 1813 O ALA A 118 -4.780 15.360 3.347 1.00 32.35 O ATOM 1814 CB ALA A 118 -2.779 16.738 5.467 1.00 54.43 C ATOM 0 H ALA A 118 -2.767 19.024 4.476 1.00 22.44 H new ATOM 0 HA ALA A 118 -2.448 16.410 3.358 1.00 23.22 H new ATOM 0 HB1 ALA A 118 -2.936 15.685 5.699 1.00 54.43 H new ATOM 0 HB2 ALA A 118 -1.737 16.999 5.651 1.00 54.43 H new ATOM 0 HB3 ALA A 118 -3.423 17.349 6.099 1.00 54.43 H new ATOM 1820 N ARG A 119 -5.520 17.451 3.801 1.00 30.42 N ATOM 1821 CA ARG A 119 -6.936 17.250 3.393 1.00 61.13 C ATOM 1822 C ARG A 119 -7.080 17.034 1.858 1.00 4.13 C ATOM 1823 O ARG A 119 -7.940 16.271 1.406 1.00 63.14 O ATOM 1824 CB ARG A 119 -7.780 18.466 3.860 1.00 42.21 C ATOM 1825 CG ARG A 119 -7.207 19.835 3.417 1.00 33.13 C ATOM 1826 CD ARG A 119 -8.037 21.036 3.905 1.00 61.31 C ATOM 1827 NE ARG A 119 -9.377 21.094 3.285 1.00 1.15 N ATOM 1828 CZ ARG A 119 -10.446 21.641 3.829 1.00 31.04 C ATOM 1829 NH1 ARG A 119 -10.439 22.068 5.057 1.00 31.42 N ATOM 1830 NH2 ARG A 119 -11.535 21.725 3.138 1.00 5.23 N ATOM 0 H ARG A 119 -5.343 18.375 4.195 1.00 30.42 H new ATOM 0 HA ARG A 119 -7.304 16.342 3.871 1.00 61.13 H new ATOM 0 HB2 ARG A 119 -8.793 18.364 3.470 1.00 42.21 H new ATOM 0 HB3 ARG A 119 -7.854 18.449 4.947 1.00 42.21 H new ATOM 0 HG2 ARG A 119 -6.188 19.932 3.792 1.00 33.13 H new ATOM 0 HG3 ARG A 119 -7.150 19.861 2.329 1.00 33.13 H new ATOM 0 HD2 ARG A 119 -8.145 20.982 4.988 1.00 61.31 H new ATOM 0 HD3 ARG A 119 -7.499 21.958 3.684 1.00 61.31 H new ATOM 0 HE ARG A 119 -9.484 20.677 2.360 1.00 1.15 H new ATOM 0 HH11 ARG A 119 -9.594 21.983 5.622 1.00 31.42 H new ATOM 0 HH12 ARG A 119 -11.279 22.488 5.456 1.00 31.42 H new ATOM 0 HH21 ARG A 119 -11.561 21.370 2.182 1.00 5.23 H new ATOM 0 HH22 ARG A 119 -12.368 22.146 3.549 1.00 5.23 H new ATOM 1844 N GLU A 120 -6.222 17.716 1.074 1.00 62.34 N ATOM 1845 CA GLU A 120 -6.171 17.563 -0.398 1.00 41.25 C ATOM 1846 C GLU A 120 -5.500 16.225 -0.781 1.00 21.31 C ATOM 1847 O GLU A 120 -6.005 15.481 -1.630 1.00 64.34 O ATOM 1848 CB GLU A 120 -5.405 18.756 -1.027 1.00 21.11 C ATOM 1849 CG GLU A 120 -5.205 18.662 -2.553 1.00 3.34 C ATOM 1850 CD GLU A 120 -4.576 19.925 -3.159 1.00 4.10 C ATOM 1851 OE1 GLU A 120 -5.331 20.855 -3.522 1.00 32.12 O ATOM 1852 OE2 GLU A 120 -3.333 19.997 -3.272 1.00 72.24 O ATOM 0 H GLU A 120 -5.546 18.387 1.439 1.00 62.34 H new ATOM 0 HA GLU A 120 -7.190 17.556 -0.786 1.00 41.25 H new ATOM 0 HB2 GLU A 120 -5.944 19.676 -0.801 1.00 21.11 H new ATOM 0 HB3 GLU A 120 -4.428 18.834 -0.551 1.00 21.11 H new ATOM 0 HG2 GLU A 120 -4.571 17.804 -2.778 1.00 3.34 H new ATOM 0 HG3 GLU A 120 -6.169 18.480 -3.029 1.00 3.34 H new ATOM 1859 N LEU A 121 -4.381 15.917 -0.101 1.00 2.25 N ATOM 1860 CA LEU A 121 -3.607 14.675 -0.324 1.00 61.44 C ATOM 1861 C LEU A 121 -4.393 13.440 0.174 1.00 2.53 C ATOM 1862 O LEU A 121 -4.156 12.330 -0.275 1.00 0.22 O ATOM 1863 CB LEU A 121 -2.215 14.763 0.352 1.00 24.42 C ATOM 1864 CG LEU A 121 -1.277 15.905 -0.167 1.00 65.00 C ATOM 1865 CD1 LEU A 121 0.093 15.876 0.543 1.00 12.01 C ATOM 1866 CD2 LEU A 121 -1.108 15.853 -1.706 1.00 60.50 C ATOM 0 H LEU A 121 -3.985 16.520 0.620 1.00 2.25 H new ATOM 0 HA LEU A 121 -3.450 14.560 -1.397 1.00 61.44 H new ATOM 0 HB2 LEU A 121 -2.360 14.897 1.424 1.00 24.42 H new ATOM 0 HB3 LEU A 121 -1.705 13.809 0.216 1.00 24.42 H new ATOM 0 HG LEU A 121 -1.759 16.852 0.078 1.00 65.00 H new ATOM 0 HD11 LEU A 121 0.719 16.682 0.159 1.00 12.01 H new ATOM 0 HD12 LEU A 121 -0.050 16.007 1.616 1.00 12.01 H new ATOM 0 HD13 LEU A 121 0.579 14.918 0.357 1.00 12.01 H new ATOM 0 HD21 LEU A 121 -0.451 16.661 -2.027 1.00 60.50 H new ATOM 0 HD22 LEU A 121 -0.673 14.895 -1.992 1.00 60.50 H new ATOM 0 HD23 LEU A 121 -2.082 15.966 -2.183 1.00 60.50 H new ATOM 1878 N GLU A 122 -5.321 13.664 1.116 1.00 61.40 N ATOM 1879 CA GLU A 122 -6.309 12.654 1.558 1.00 44.24 C ATOM 1880 C GLU A 122 -7.150 12.148 0.359 1.00 2.40 C ATOM 1881 O GLU A 122 -7.251 10.941 0.123 1.00 70.41 O ATOM 1882 CB GLU A 122 -7.188 13.299 2.684 1.00 24.31 C ATOM 1883 CG GLU A 122 -8.363 12.466 3.261 1.00 42.41 C ATOM 1884 CD GLU A 122 -9.653 12.490 2.402 1.00 60.10 C ATOM 1885 OE1 GLU A 122 -10.261 13.575 2.266 1.00 44.22 O ATOM 1886 OE2 GLU A 122 -10.041 11.441 1.847 1.00 44.50 O ATOM 0 H GLU A 122 -5.412 14.557 1.600 1.00 61.40 H new ATOM 0 HA GLU A 122 -5.809 11.775 1.964 1.00 44.24 H new ATOM 0 HB2 GLU A 122 -6.529 13.563 3.511 1.00 24.31 H new ATOM 0 HB3 GLU A 122 -7.599 14.230 2.294 1.00 24.31 H new ATOM 0 HG2 GLU A 122 -8.037 11.432 3.375 1.00 42.41 H new ATOM 0 HG3 GLU A 122 -8.599 12.837 4.258 1.00 42.41 H new ATOM 1893 N SER A 123 -7.741 13.090 -0.388 1.00 43.54 N ATOM 1894 CA SER A 123 -8.573 12.784 -1.574 1.00 54.25 C ATOM 1895 C SER A 123 -7.745 12.205 -2.763 1.00 71.35 C ATOM 1896 O SER A 123 -8.179 11.251 -3.418 1.00 65.12 O ATOM 1897 CB SER A 123 -9.324 14.062 -2.012 1.00 11.41 C ATOM 1898 OG SER A 123 -10.102 14.613 -0.947 1.00 53.11 O ATOM 0 H SER A 123 -7.660 14.088 -0.192 1.00 43.54 H new ATOM 0 HA SER A 123 -9.283 12.008 -1.288 1.00 54.25 H new ATOM 0 HB2 SER A 123 -8.606 14.805 -2.359 1.00 11.41 H new ATOM 0 HB3 SER A 123 -9.975 13.830 -2.855 1.00 11.41 H new ATOM 0 HG SER A 123 -10.561 15.420 -1.261 1.00 53.11 H new ATOM 1904 N VAL A 124 -6.559 12.786 -3.034 1.00 22.13 N ATOM 1905 CA VAL A 124 -5.674 12.338 -4.149 1.00 61.22 C ATOM 1906 C VAL A 124 -5.054 10.936 -3.875 1.00 3.33 C ATOM 1907 O VAL A 124 -5.199 10.002 -4.675 1.00 31.10 O ATOM 1908 CB VAL A 124 -4.521 13.390 -4.403 1.00 61.13 C ATOM 1909 CG1 VAL A 124 -3.552 12.923 -5.527 1.00 64.22 C ATOM 1910 CG2 VAL A 124 -5.106 14.794 -4.725 1.00 20.24 C ATOM 0 H VAL A 124 -6.184 13.569 -2.499 1.00 22.13 H new ATOM 0 HA VAL A 124 -6.298 12.262 -5.039 1.00 61.22 H new ATOM 0 HB VAL A 124 -3.943 13.465 -3.482 1.00 61.13 H new ATOM 0 HG11 VAL A 124 -2.774 13.673 -5.671 1.00 64.22 H new ATOM 0 HG12 VAL A 124 -3.094 11.975 -5.242 1.00 64.22 H new ATOM 0 HG13 VAL A 124 -4.108 12.793 -6.456 1.00 64.22 H new ATOM 0 HG21 VAL A 124 -4.291 15.497 -4.895 1.00 20.24 H new ATOM 0 HG22 VAL A 124 -5.726 14.733 -5.620 1.00 20.24 H new ATOM 0 HG23 VAL A 124 -5.712 15.137 -3.886 1.00 20.24 H new ATOM 1920 N ILE A 125 -4.380 10.809 -2.728 1.00 65.45 N ATOM 1921 CA ILE A 125 -3.630 9.589 -2.348 1.00 72.13 C ATOM 1922 C ILE A 125 -4.568 8.522 -1.720 1.00 53.41 C ATOM 1923 O ILE A 125 -4.662 7.402 -2.218 1.00 33.23 O ATOM 1924 CB ILE A 125 -2.462 9.948 -1.351 1.00 74.23 C ATOM 1925 CG1 ILE A 125 -1.519 11.033 -1.965 1.00 13.03 C ATOM 1926 CG2 ILE A 125 -1.664 8.696 -0.910 1.00 55.15 C ATOM 1927 CD1 ILE A 125 -0.441 11.555 -1.019 1.00 43.45 C ATOM 0 H ILE A 125 -4.334 11.549 -2.027 1.00 65.45 H new ATOM 0 HA ILE A 125 -3.200 9.165 -3.256 1.00 72.13 H new ATOM 0 HB ILE A 125 -2.920 10.363 -0.453 1.00 74.23 H new ATOM 0 HG12 ILE A 125 -1.036 10.616 -2.849 1.00 13.03 H new ATOM 0 HG13 ILE A 125 -2.126 11.874 -2.300 1.00 13.03 H new ATOM 0 HG21 ILE A 125 -0.871 8.993 -0.224 1.00 55.15 H new ATOM 0 HG22 ILE A 125 -2.333 7.996 -0.410 1.00 55.15 H new ATOM 0 HG23 ILE A 125 -1.226 8.217 -1.786 1.00 55.15 H new ATOM 0 HD11 ILE A 125 0.163 12.303 -1.533 1.00 43.45 H new ATOM 0 HD12 ILE A 125 -0.911 12.006 -0.145 1.00 43.45 H new ATOM 0 HD13 ILE A 125 0.196 10.729 -0.702 1.00 43.45 H new ATOM 1939 N GLY A 126 -5.276 8.898 -0.636 1.00 52.14 N ATOM 1940 CA GLY A 126 -6.126 7.952 0.124 1.00 50.34 C ATOM 1941 C GLY A 126 -7.300 7.366 -0.678 1.00 32.54 C ATOM 1942 O GLY A 126 -7.692 6.222 -0.465 1.00 44.35 O ATOM 0 H GLY A 126 -5.278 9.848 -0.265 1.00 52.14 H new ATOM 0 HA2 GLY A 126 -5.504 7.133 0.485 1.00 50.34 H new ATOM 0 HA3 GLY A 126 -6.521 8.463 1.002 1.00 50.34 H new ATOM 1946 N ASP A 127 -7.868 8.152 -1.605 1.00 21.23 N ATOM 1947 CA ASP A 127 -8.984 7.694 -2.465 1.00 62.25 C ATOM 1948 C ASP A 127 -8.484 7.318 -3.893 1.00 65.34 C ATOM 1949 O ASP A 127 -8.589 6.152 -4.308 1.00 33.01 O ATOM 1950 CB ASP A 127 -10.083 8.786 -2.509 1.00 10.54 C ATOM 1951 CG ASP A 127 -11.328 8.358 -3.305 1.00 24.14 C ATOM 1952 OD1 ASP A 127 -12.150 7.587 -2.766 1.00 34.32 O ATOM 1953 OD2 ASP A 127 -11.483 8.778 -4.477 1.00 43.02 O ATOM 0 H ASP A 127 -7.575 9.113 -1.783 1.00 21.23 H new ATOM 0 HA ASP A 127 -9.412 6.787 -2.038 1.00 62.25 H new ATOM 0 HB2 ASP A 127 -10.379 9.036 -1.490 1.00 10.54 H new ATOM 0 HB3 ASP A 127 -9.669 9.692 -2.952 1.00 10.54 H new ATOM 1958 N GLY A 128 -7.915 8.306 -4.614 1.00 72.04 N ATOM 1959 CA GLY A 128 -7.521 8.136 -6.030 1.00 23.13 C ATOM 1960 C GLY A 128 -6.383 7.126 -6.288 1.00 54.42 C ATOM 1961 O GLY A 128 -6.219 6.645 -7.418 1.00 32.44 O ATOM 0 H GLY A 128 -7.717 9.233 -4.238 1.00 72.04 H new ATOM 0 HA2 GLY A 128 -8.397 7.822 -6.597 1.00 23.13 H new ATOM 0 HA3 GLY A 128 -7.218 9.106 -6.423 1.00 23.13 H new ATOM 1965 N VAL A 129 -5.581 6.818 -5.252 1.00 51.45 N ATOM 1966 CA VAL A 129 -4.505 5.794 -5.338 1.00 63.24 C ATOM 1967 C VAL A 129 -4.896 4.506 -4.568 1.00 33.35 C ATOM 1968 O VAL A 129 -4.892 3.405 -5.141 1.00 30.23 O ATOM 1969 CB VAL A 129 -3.130 6.348 -4.796 1.00 1.41 C ATOM 1970 CG1 VAL A 129 -2.002 5.282 -4.853 1.00 43.31 C ATOM 1971 CG2 VAL A 129 -2.712 7.636 -5.550 1.00 52.30 C ATOM 0 H VAL A 129 -5.653 7.263 -4.337 1.00 51.45 H new ATOM 0 HA VAL A 129 -4.383 5.549 -6.393 1.00 63.24 H new ATOM 0 HB VAL A 129 -3.281 6.598 -3.746 1.00 1.41 H new ATOM 0 HG11 VAL A 129 -1.076 5.711 -4.470 1.00 43.31 H new ATOM 0 HG12 VAL A 129 -2.283 4.422 -4.245 1.00 43.31 H new ATOM 0 HG13 VAL A 129 -1.854 4.963 -5.885 1.00 43.31 H new ATOM 0 HG21 VAL A 129 -1.761 7.996 -5.156 1.00 52.30 H new ATOM 0 HG22 VAL A 129 -2.605 7.417 -6.612 1.00 52.30 H new ATOM 0 HG23 VAL A 129 -3.475 8.402 -5.412 1.00 52.30 H new ATOM 1981 N PHE A 130 -5.242 4.658 -3.270 1.00 54.04 N ATOM 1982 CA PHE A 130 -5.465 3.511 -2.350 1.00 61.24 C ATOM 1983 C PHE A 130 -6.787 2.779 -2.638 1.00 5.24 C ATOM 1984 O PHE A 130 -6.775 1.579 -2.923 1.00 41.20 O ATOM 1985 CB PHE A 130 -5.445 3.963 -0.854 1.00 64.50 C ATOM 1986 CG PHE A 130 -4.110 4.437 -0.278 1.00 43.53 C ATOM 1987 CD1 PHE A 130 -3.030 4.774 -1.089 1.00 12.21 C ATOM 1988 CD2 PHE A 130 -3.949 4.538 1.106 1.00 5.11 C ATOM 1989 CE1 PHE A 130 -1.836 5.192 -0.541 1.00 13.24 C ATOM 1990 CE2 PHE A 130 -2.755 4.956 1.651 1.00 40.40 C ATOM 1991 CZ PHE A 130 -1.698 5.283 0.828 1.00 50.45 C ATOM 0 H PHE A 130 -5.374 5.569 -2.830 1.00 54.04 H new ATOM 0 HA PHE A 130 -4.641 2.820 -2.529 1.00 61.24 H new ATOM 0 HB2 PHE A 130 -6.168 4.771 -0.737 1.00 64.50 H new ATOM 0 HB3 PHE A 130 -5.797 3.130 -0.246 1.00 64.50 H new ATOM 0 HD1 PHE A 130 -3.129 4.707 -2.162 1.00 12.21 H new ATOM 0 HD2 PHE A 130 -4.772 4.285 1.758 1.00 5.11 H new ATOM 0 HE1 PHE A 130 -1.008 5.449 -1.185 1.00 13.24 H new ATOM 0 HE2 PHE A 130 -2.647 5.028 2.723 1.00 40.40 H new ATOM 0 HZ PHE A 130 -0.762 5.610 1.256 1.00 50.45 H new ATOM 2001 N ALA A 131 -7.918 3.512 -2.551 1.00 21.52 N ATOM 2002 CA ALA A 131 -9.270 2.932 -2.774 1.00 63.15 C ATOM 2003 C ALA A 131 -9.394 2.284 -4.177 1.00 31.51 C ATOM 2004 O ALA A 131 -10.086 1.289 -4.351 1.00 4.32 O ATOM 2005 CB ALA A 131 -10.357 3.999 -2.567 1.00 51.40 C ATOM 0 H ALA A 131 -7.927 4.507 -2.328 1.00 21.52 H new ATOM 0 HA ALA A 131 -9.414 2.141 -2.038 1.00 63.15 H new ATOM 0 HB1 ALA A 131 -11.339 3.556 -2.735 1.00 51.40 H new ATOM 0 HB2 ALA A 131 -10.301 4.382 -1.548 1.00 51.40 H new ATOM 0 HB3 ALA A 131 -10.203 4.817 -3.271 1.00 51.40 H new ATOM 2011 N VAL A 132 -8.686 2.863 -5.156 1.00 60.40 N ATOM 2012 CA VAL A 132 -8.541 2.290 -6.511 1.00 41.15 C ATOM 2013 C VAL A 132 -7.818 0.907 -6.489 1.00 32.14 C ATOM 2014 O VAL A 132 -8.360 -0.094 -6.980 1.00 73.33 O ATOM 2015 CB VAL A 132 -7.770 3.313 -7.432 1.00 21.45 C ATOM 2016 CG1 VAL A 132 -7.187 2.649 -8.698 1.00 33.14 C ATOM 2017 CG2 VAL A 132 -8.679 4.508 -7.808 1.00 13.25 C ATOM 0 H VAL A 132 -8.193 3.748 -5.035 1.00 60.40 H new ATOM 0 HA VAL A 132 -9.538 2.115 -6.916 1.00 41.15 H new ATOM 0 HB VAL A 132 -6.925 3.684 -6.852 1.00 21.45 H new ATOM 0 HG11 VAL A 132 -6.667 3.398 -9.295 1.00 33.14 H new ATOM 0 HG12 VAL A 132 -6.486 1.866 -8.408 1.00 33.14 H new ATOM 0 HG13 VAL A 132 -7.995 2.213 -9.285 1.00 33.14 H new ATOM 0 HG21 VAL A 132 -8.126 5.200 -8.443 1.00 13.25 H new ATOM 0 HG22 VAL A 132 -9.555 4.144 -8.345 1.00 13.25 H new ATOM 0 HG23 VAL A 132 -8.997 5.023 -6.901 1.00 13.25 H new ATOM 2027 N GLY A 133 -6.604 0.879 -5.900 1.00 52.53 N ATOM 2028 CA GLY A 133 -5.748 -0.320 -5.900 1.00 32.00 C ATOM 2029 C GLY A 133 -6.345 -1.511 -5.136 1.00 62.52 C ATOM 2030 O GLY A 133 -6.265 -2.657 -5.591 1.00 34.53 O ATOM 0 H GLY A 133 -6.195 1.679 -5.417 1.00 52.53 H new ATOM 0 HA2 GLY A 133 -5.560 -0.620 -6.931 1.00 32.00 H new ATOM 0 HA3 GLY A 133 -4.783 -0.066 -5.461 1.00 32.00 H new ATOM 2034 N LEU A 134 -6.965 -1.226 -3.976 1.00 75.44 N ATOM 2035 CA LEU A 134 -7.598 -2.253 -3.114 1.00 21.53 C ATOM 2036 C LEU A 134 -8.885 -2.832 -3.742 1.00 1.22 C ATOM 2037 O LEU A 134 -9.180 -4.021 -3.567 1.00 51.23 O ATOM 2038 CB LEU A 134 -7.899 -1.672 -1.712 1.00 11.52 C ATOM 2039 CG LEU A 134 -6.661 -1.250 -0.860 1.00 44.24 C ATOM 2040 CD1 LEU A 134 -7.098 -0.815 0.549 1.00 41.11 C ATOM 2041 CD2 LEU A 134 -5.604 -2.378 -0.797 1.00 13.44 C ATOM 0 H LEU A 134 -7.044 -0.279 -3.606 1.00 75.44 H new ATOM 0 HA LEU A 134 -6.887 -3.073 -3.017 1.00 21.53 H new ATOM 0 HB2 LEU A 134 -8.544 -0.802 -1.833 1.00 11.52 H new ATOM 0 HB3 LEU A 134 -8.466 -2.413 -1.149 1.00 11.52 H new ATOM 0 HG LEU A 134 -6.192 -0.397 -1.349 1.00 44.24 H new ATOM 0 HD11 LEU A 134 -6.222 -0.524 1.128 1.00 41.11 H new ATOM 0 HD12 LEU A 134 -7.780 0.032 0.473 1.00 41.11 H new ATOM 0 HD13 LEU A 134 -7.603 -1.644 1.046 1.00 41.11 H new ATOM 0 HD21 LEU A 134 -4.756 -2.049 -0.196 1.00 13.44 H new ATOM 0 HD22 LEU A 134 -6.046 -3.266 -0.346 1.00 13.44 H new ATOM 0 HD23 LEU A 134 -5.264 -2.615 -1.805 1.00 13.44 H new ATOM 2053 N ASN A 135 -9.648 -1.988 -4.470 1.00 62.44 N ATOM 2054 CA ASN A 135 -10.855 -2.451 -5.199 1.00 70.41 C ATOM 2055 C ASN A 135 -10.457 -3.386 -6.364 1.00 21.31 C ATOM 2056 O ASN A 135 -11.087 -4.416 -6.557 1.00 12.32 O ATOM 2057 CB ASN A 135 -11.718 -1.264 -5.714 1.00 53.31 C ATOM 2058 CG ASN A 135 -12.538 -0.567 -4.620 1.00 70.14 C ATOM 2059 OD1 ASN A 135 -12.162 -0.535 -3.449 1.00 14.02 O ATOM 2060 ND2 ASN A 135 -13.673 0.000 -4.996 1.00 3.23 N ATOM 0 H ASN A 135 -9.455 -0.992 -4.570 1.00 62.44 H new ATOM 0 HA ASN A 135 -11.469 -3.011 -4.493 1.00 70.41 H new ATOM 0 HB2 ASN A 135 -11.064 -0.531 -6.186 1.00 53.31 H new ATOM 0 HB3 ASN A 135 -12.396 -1.629 -6.485 1.00 53.31 H new ATOM 0 HD21 ASN A 135 -14.257 0.477 -4.309 1.00 3.23 H new ATOM 0 HD22 ASN A 135 -13.964 -0.040 -5.973 1.00 3.23 H new ATOM 2067 N ALA A 136 -9.385 -3.027 -7.106 1.00 4.04 N ATOM 2068 CA ALA A 136 -8.824 -3.875 -8.194 1.00 44.23 C ATOM 2069 C ALA A 136 -8.288 -5.227 -7.645 1.00 64.43 C ATOM 2070 O ALA A 136 -8.381 -6.270 -8.310 1.00 5.44 O ATOM 2071 CB ALA A 136 -7.713 -3.111 -8.934 1.00 43.31 C ATOM 0 H ALA A 136 -8.884 -2.149 -6.973 1.00 4.04 H new ATOM 0 HA ALA A 136 -9.627 -4.103 -8.895 1.00 44.23 H new ATOM 0 HB1 ALA A 136 -7.307 -3.738 -9.728 1.00 43.31 H new ATOM 0 HB2 ALA A 136 -8.124 -2.199 -9.366 1.00 43.31 H new ATOM 0 HB3 ALA A 136 -6.919 -2.855 -8.233 1.00 43.31 H new ATOM 2077 N LEU A 137 -7.736 -5.183 -6.416 1.00 22.40 N ATOM 2078 CA LEU A 137 -7.290 -6.385 -5.671 1.00 23.44 C ATOM 2079 C LEU A 137 -8.512 -7.283 -5.324 1.00 70.44 C ATOM 2080 O LEU A 137 -8.424 -8.516 -5.351 1.00 5.14 O ATOM 2081 CB LEU A 137 -6.495 -5.932 -4.397 1.00 24.31 C ATOM 2082 CG LEU A 137 -5.656 -7.023 -3.628 1.00 54.34 C ATOM 2083 CD1 LEU A 137 -4.549 -6.379 -2.759 1.00 33.31 C ATOM 2084 CD2 LEU A 137 -6.531 -7.949 -2.752 1.00 62.12 C ATOM 0 H LEU A 137 -7.585 -4.312 -5.908 1.00 22.40 H new ATOM 0 HA LEU A 137 -6.621 -6.988 -6.286 1.00 23.44 H new ATOM 0 HB2 LEU A 137 -5.815 -5.133 -4.693 1.00 24.31 H new ATOM 0 HB3 LEU A 137 -7.207 -5.500 -3.694 1.00 24.31 H new ATOM 0 HG LEU A 137 -5.194 -7.637 -4.401 1.00 54.34 H new ATOM 0 HD11 LEU A 137 -3.991 -7.160 -2.243 1.00 33.31 H new ATOM 0 HD12 LEU A 137 -3.872 -5.809 -3.396 1.00 33.31 H new ATOM 0 HD13 LEU A 137 -5.004 -5.713 -2.025 1.00 33.31 H new ATOM 0 HD21 LEU A 137 -5.897 -8.679 -2.248 1.00 62.12 H new ATOM 0 HD22 LEU A 137 -7.060 -7.353 -2.008 1.00 62.12 H new ATOM 0 HD23 LEU A 137 -7.253 -8.469 -3.381 1.00 62.12 H new ATOM 2096 N ALA A 138 -9.644 -6.650 -4.993 1.00 1.42 N ATOM 2097 CA ALA A 138 -10.913 -7.365 -4.745 1.00 11.15 C ATOM 2098 C ALA A 138 -11.513 -7.942 -6.058 1.00 62.45 C ATOM 2099 O ALA A 138 -12.123 -9.010 -6.040 1.00 23.14 O ATOM 2100 CB ALA A 138 -11.918 -6.431 -4.055 1.00 72.41 C ATOM 0 H ALA A 138 -9.712 -5.638 -4.889 1.00 1.42 H new ATOM 0 HA ALA A 138 -10.701 -8.208 -4.087 1.00 11.15 H new ATOM 0 HB1 ALA A 138 -12.850 -6.967 -3.877 1.00 72.41 H new ATOM 0 HB2 ALA A 138 -11.506 -6.092 -3.104 1.00 72.41 H new ATOM 0 HB3 ALA A 138 -12.112 -5.569 -4.694 1.00 72.41 H new ATOM 2106 N GLU A 139 -11.311 -7.230 -7.198 1.00 5.21 N ATOM 2107 CA GLU A 139 -11.850 -7.643 -8.523 1.00 62.52 C ATOM 2108 C GLU A 139 -11.169 -8.916 -9.056 1.00 10.44 C ATOM 2109 O GLU A 139 -11.837 -9.778 -9.638 1.00 53.33 O ATOM 2110 CB GLU A 139 -11.714 -6.502 -9.574 1.00 54.32 C ATOM 2111 CG GLU A 139 -12.490 -5.219 -9.229 1.00 12.23 C ATOM 2112 CD GLU A 139 -12.533 -4.211 -10.384 1.00 73.32 C ATOM 2113 OE1 GLU A 139 -13.345 -4.410 -11.320 1.00 0.13 O ATOM 2114 OE2 GLU A 139 -11.778 -3.217 -10.363 1.00 42.32 O ATOM 0 H GLU A 139 -10.776 -6.362 -7.226 1.00 5.21 H new ATOM 0 HA GLU A 139 -12.907 -7.860 -8.367 1.00 62.52 H new ATOM 0 HB2 GLU A 139 -10.659 -6.254 -9.687 1.00 54.32 H new ATOM 0 HB3 GLU A 139 -12.060 -6.872 -10.539 1.00 54.32 H new ATOM 0 HG2 GLU A 139 -13.509 -5.483 -8.947 1.00 12.23 H new ATOM 0 HG3 GLU A 139 -12.031 -4.747 -8.360 1.00 12.23 H new ATOM 2121 N ARG A 140 -9.843 -9.035 -8.854 1.00 65.42 N ATOM 2122 CA ARG A 140 -9.071 -10.211 -9.329 1.00 20.00 C ATOM 2123 C ARG A 140 -9.473 -11.519 -8.590 1.00 73.20 C ATOM 2124 O ARG A 140 -9.357 -12.613 -9.144 1.00 31.41 O ATOM 2125 CB ARG A 140 -7.550 -9.947 -9.227 1.00 10.15 C ATOM 2126 CG ARG A 140 -6.982 -9.826 -7.800 1.00 32.21 C ATOM 2127 CD ARG A 140 -5.472 -9.513 -7.787 1.00 63.24 C ATOM 2128 NE ARG A 140 -4.720 -10.457 -8.628 1.00 33.41 N ATOM 2129 CZ ARG A 140 -4.069 -11.518 -8.211 1.00 1.32 C ATOM 2130 NH1 ARG A 140 -4.002 -11.825 -6.950 1.00 42.02 N ATOM 2131 NH2 ARG A 140 -3.492 -12.280 -9.074 1.00 54.13 N ATOM 0 H ARG A 140 -9.281 -8.337 -8.367 1.00 65.42 H new ATOM 0 HA ARG A 140 -9.321 -10.359 -10.380 1.00 20.00 H new ATOM 0 HB2 ARG A 140 -7.026 -10.754 -9.739 1.00 10.15 H new ATOM 0 HB3 ARG A 140 -7.324 -9.027 -9.767 1.00 10.15 H new ATOM 0 HG2 ARG A 140 -7.517 -9.041 -7.266 1.00 32.21 H new ATOM 0 HG3 ARG A 140 -7.161 -10.757 -7.262 1.00 32.21 H new ATOM 0 HD2 ARG A 140 -5.307 -8.496 -8.142 1.00 63.24 H new ATOM 0 HD3 ARG A 140 -5.099 -9.558 -6.764 1.00 63.24 H new ATOM 0 HE ARG A 140 -4.703 -10.269 -9.630 1.00 33.41 H new ATOM 0 HH11 ARG A 140 -4.462 -11.235 -6.256 1.00 42.02 H new ATOM 0 HH12 ARG A 140 -3.489 -12.656 -6.654 1.00 42.02 H new ATOM 0 HH21 ARG A 140 -3.544 -12.056 -10.068 1.00 54.13 H new ATOM 0 HH22 ARG A 140 -2.983 -13.108 -8.764 1.00 54.13 H new ATOM 2145 N TYR A 141 -9.949 -11.386 -7.337 1.00 45.31 N ATOM 2146 CA TYR A 141 -10.554 -12.506 -6.569 1.00 0.50 C ATOM 2147 C TYR A 141 -12.110 -12.461 -6.637 1.00 61.34 C ATOM 2148 O TYR A 141 -12.795 -13.352 -6.115 1.00 62.04 O ATOM 2149 CB TYR A 141 -10.073 -12.456 -5.100 1.00 11.21 C ATOM 2150 CG TYR A 141 -8.560 -12.692 -4.915 1.00 62.22 C ATOM 2151 CD1 TYR A 141 -8.012 -13.979 -5.008 1.00 15.25 C ATOM 2152 CD2 TYR A 141 -7.688 -11.643 -4.609 1.00 31.55 C ATOM 2153 CE1 TYR A 141 -6.663 -14.202 -4.801 1.00 3.24 C ATOM 2154 CE2 TYR A 141 -6.340 -11.861 -4.407 1.00 55.13 C ATOM 2155 CZ TYR A 141 -5.830 -13.143 -4.502 1.00 24.22 C ATOM 2156 OH TYR A 141 -4.480 -13.364 -4.304 1.00 4.44 O ATOM 0 H TYR A 141 -9.928 -10.504 -6.825 1.00 45.31 H new ATOM 0 HA TYR A 141 -10.230 -13.445 -7.018 1.00 0.50 H new ATOM 0 HB2 TYR A 141 -10.331 -11.484 -4.679 1.00 11.21 H new ATOM 0 HB3 TYR A 141 -10.618 -13.206 -4.527 1.00 11.21 H new ATOM 0 HD1 TYR A 141 -8.656 -14.813 -5.246 1.00 15.25 H new ATOM 0 HD2 TYR A 141 -8.078 -10.639 -4.529 1.00 31.55 H new ATOM 0 HE1 TYR A 141 -6.262 -15.202 -4.873 1.00 3.24 H new ATOM 0 HE2 TYR A 141 -5.686 -11.033 -4.176 1.00 55.13 H new ATOM 0 HH TYR A 141 -4.035 -12.514 -4.103 1.00 4.44 H new ATOM 2166 N GLY A 142 -12.650 -11.422 -7.300 1.00 1.22 N ATOM 2167 CA GLY A 142 -14.100 -11.252 -7.508 1.00 25.03 C ATOM 2168 C GLY A 142 -14.642 -12.006 -8.732 1.00 0.41 C ATOM 2169 O GLY A 142 -15.755 -11.749 -9.183 1.00 13.23 O ATOM 0 H GLY A 142 -12.090 -10.673 -7.708 1.00 1.22 H new ATOM 0 HA2 GLY A 142 -14.628 -11.595 -6.618 1.00 25.03 H new ATOM 0 HA3 GLY A 142 -14.320 -10.190 -7.620 1.00 25.03 H new