USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 27:sc= 0.357 USER MOD Single : A 44 GLN : amide:sc= -1.71! K(o=-1.7!,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.294) USER MOD Single : A 52 MET CE :methyl -104:sc= -1.96 (180deg=-4.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 0.0406 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -1.67 (180deg=-3.75!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 147:sc= -1.73 (180deg=-3.8!) USER MOD Single : A 74 ASN : amide:sc= -0.748 X(o=-0.75,f=-0.55) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -4.3 K(o=-4.3,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -9:sc= -1.35! USER MOD Single : A 94 SER OG : rot 7:sc= -0.74 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -160:sc= -0.553 (180deg=-1.43) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.141) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc=-0.00802 (180deg=-0.113) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -44:sc= 1.12 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 26.470 -7.533 10.254 1.00 0.00 N ATOM 2 CA GLY A 37 25.282 -6.702 10.308 1.00 0.00 C ATOM 3 C GLY A 37 24.356 -7.086 11.446 1.00 0.00 C ATOM 4 O GLY A 37 23.892 -8.223 11.520 1.00 0.00 O ATOM 0 HA2 GLY A 37 25.577 -5.659 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 37 24.744 -6.781 9.363 1.00 0.00 H new ATOM 8 N SER A 38 24.089 -6.135 12.336 1.00 0.00 N ATOM 9 CA SER A 38 23.218 -6.381 13.479 1.00 0.00 C ATOM 10 C SER A 38 21.840 -5.766 13.253 1.00 0.00 C ATOM 11 O SER A 38 21.698 -4.780 12.530 1.00 0.00 O ATOM 12 CB SER A 38 23.841 -5.811 14.754 1.00 0.00 C ATOM 13 OG SER A 38 24.702 -6.755 15.367 1.00 0.00 O ATOM 0 H SER A 38 24.463 -5.187 12.287 1.00 0.00 H new ATOM 0 HA SER A 38 23.102 -7.459 13.591 1.00 0.00 H new ATOM 0 HB2 SER A 38 24.399 -4.906 14.516 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.053 -5.526 15.451 1.00 0.00 H new ATOM 0 HG SER A 38 25.089 -6.366 16.179 1.00 0.00 H new ATOM 19 N SER A 39 20.826 -6.356 13.879 1.00 0.00 N ATOM 20 CA SER A 39 19.458 -5.870 13.745 1.00 0.00 C ATOM 21 C SER A 39 19.307 -4.491 14.380 1.00 0.00 C ATOM 22 O SER A 39 19.833 -4.232 15.461 1.00 0.00 O ATOM 23 CB SER A 39 18.479 -6.852 14.392 1.00 0.00 C ATOM 24 OG SER A 39 18.119 -7.882 13.489 1.00 0.00 O ATOM 0 H SER A 39 20.927 -7.171 14.484 1.00 0.00 H new ATOM 0 HA SER A 39 19.230 -5.789 12.682 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.931 -7.287 15.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.585 -6.319 14.716 1.00 0.00 H new ATOM 0 HG SER A 39 17.494 -8.497 13.927 1.00 0.00 H new ATOM 30 N GLY A 40 18.582 -3.608 13.698 1.00 0.00 N ATOM 31 CA GLY A 40 18.374 -2.266 14.210 1.00 0.00 C ATOM 32 C GLY A 40 18.370 -1.221 13.112 1.00 0.00 C ATOM 33 O GLY A 40 19.347 -1.078 12.378 1.00 0.00 O ATOM 0 H GLY A 40 18.136 -3.798 12.801 1.00 0.00 H new ATOM 0 HA2 GLY A 40 17.426 -2.228 14.747 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.158 -2.029 14.930 1.00 0.00 H new ATOM 37 N SER A 41 17.265 -0.490 12.997 1.00 0.00 N ATOM 38 CA SER A 41 17.135 0.543 11.977 1.00 0.00 C ATOM 39 C SER A 41 17.155 1.933 12.606 1.00 0.00 C ATOM 40 O SER A 41 16.432 2.203 13.565 1.00 0.00 O ATOM 41 CB SER A 41 15.841 0.348 11.185 1.00 0.00 C ATOM 42 OG SER A 41 15.839 -0.899 10.511 1.00 0.00 O ATOM 0 H SER A 41 16.447 -0.595 13.598 1.00 0.00 H new ATOM 0 HA SER A 41 17.984 0.458 11.299 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.986 0.402 11.859 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.728 1.156 10.462 1.00 0.00 H new ATOM 0 HG SER A 41 15.001 -1.001 10.014 1.00 0.00 H new ATOM 48 N SER A 42 17.988 2.812 12.058 1.00 0.00 N ATOM 49 CA SER A 42 18.106 4.173 12.567 1.00 0.00 C ATOM 50 C SER A 42 17.765 5.190 11.482 1.00 0.00 C ATOM 51 O SER A 42 18.392 5.220 10.423 1.00 0.00 O ATOM 52 CB SER A 42 19.522 4.424 13.089 1.00 0.00 C ATOM 53 OG SER A 42 20.468 4.392 12.035 1.00 0.00 O ATOM 0 H SER A 42 18.591 2.606 11.262 1.00 0.00 H new ATOM 0 HA SER A 42 17.398 4.290 13.387 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.562 5.392 13.589 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.777 3.670 13.834 1.00 0.00 H new ATOM 0 HG SER A 42 20.031 4.644 11.195 1.00 0.00 H new ATOM 59 N GLY A 43 16.765 6.023 11.753 1.00 0.00 N ATOM 60 CA GLY A 43 16.356 7.030 10.792 1.00 0.00 C ATOM 61 C GLY A 43 14.967 7.569 11.071 1.00 0.00 C ATOM 62 O GLY A 43 14.209 6.977 11.839 1.00 0.00 O ATOM 0 H GLY A 43 16.231 6.018 12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.071 7.853 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.382 6.603 9.790 1.00 0.00 H new ATOM 66 N GLN A 44 14.634 8.694 10.447 1.00 0.00 N ATOM 67 CA GLN A 44 13.327 9.313 10.635 1.00 0.00 C ATOM 68 C GLN A 44 12.400 8.994 9.467 1.00 0.00 C ATOM 69 O GLN A 44 12.847 8.846 8.329 1.00 0.00 O ATOM 70 CB GLN A 44 13.474 10.828 10.787 1.00 0.00 C ATOM 71 CG GLN A 44 12.322 11.479 11.535 1.00 0.00 C ATOM 72 CD GLN A 44 12.605 12.922 11.902 1.00 0.00 C ATOM 73 OE1 GLN A 44 13.297 13.201 12.882 1.00 0.00 O ATOM 74 NE2 GLN A 44 12.071 13.849 11.116 1.00 0.00 N ATOM 0 H GLN A 44 15.250 9.195 9.807 1.00 0.00 H new ATOM 0 HA GLN A 44 12.887 8.905 11.545 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.405 11.044 11.312 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.554 11.278 9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.423 11.434 10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.116 10.911 12.442 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.504 13.573 10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.228 14.837 11.314 1.00 0.00 H new ATOM 83 N LYS A 45 11.108 8.890 9.754 1.00 0.00 N ATOM 84 CA LYS A 45 10.117 8.589 8.728 1.00 0.00 C ATOM 85 C LYS A 45 10.415 9.355 7.443 1.00 0.00 C ATOM 86 O LYS A 45 10.183 8.855 6.342 1.00 0.00 O ATOM 87 CB LYS A 45 8.713 8.938 9.228 1.00 0.00 C ATOM 88 CG LYS A 45 8.119 7.891 10.154 1.00 0.00 C ATOM 89 CD LYS A 45 8.463 8.173 11.607 1.00 0.00 C ATOM 90 CE LYS A 45 7.615 7.337 12.553 1.00 0.00 C ATOM 91 NZ LYS A 45 7.488 7.973 13.893 1.00 0.00 N ATOM 0 H LYS A 45 10.722 9.010 10.690 1.00 0.00 H new ATOM 0 HA LYS A 45 10.165 7.521 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.750 9.894 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.053 9.069 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.036 7.869 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.491 6.905 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.518 7.962 11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.311 9.231 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.624 7.195 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.060 6.348 12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.903 7.372 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.432 8.085 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.040 8.906 13.793 1.00 0.00 H new ATOM 105 N VAL A 46 10.933 10.570 7.590 1.00 0.00 N ATOM 106 CA VAL A 46 11.265 11.404 6.441 1.00 0.00 C ATOM 107 C VAL A 46 11.774 10.559 5.278 1.00 0.00 C ATOM 108 O VAL A 46 11.120 10.455 4.241 1.00 0.00 O ATOM 109 CB VAL A 46 12.331 12.457 6.801 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.700 13.283 5.578 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.837 13.350 7.929 1.00 0.00 C ATOM 0 H VAL A 46 11.132 10.999 8.494 1.00 0.00 H new ATOM 0 HA VAL A 46 10.348 11.913 6.143 1.00 0.00 H new ATOM 0 HB VAL A 46 13.227 11.940 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.454 14.021 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.098 12.628 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.813 13.793 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.602 14.088 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.926 13.861 7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.628 12.742 8.809 1.00 0.00 H new ATOM 121 N GLU A 47 12.946 9.957 5.459 1.00 0.00 N ATOM 122 CA GLU A 47 13.542 9.121 4.424 1.00 0.00 C ATOM 123 C GLU A 47 12.490 8.229 3.772 1.00 0.00 C ATOM 124 O GLU A 47 12.287 8.274 2.559 1.00 0.00 O ATOM 125 CB GLU A 47 14.662 8.261 5.014 1.00 0.00 C ATOM 126 CG GLU A 47 16.015 8.952 5.033 1.00 0.00 C ATOM 127 CD GLU A 47 16.585 9.157 3.643 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.316 8.313 2.762 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.301 10.159 3.436 1.00 0.00 O ATOM 0 H GLU A 47 13.500 10.033 6.312 1.00 0.00 H new ATOM 0 HA GLU A 47 13.961 9.776 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.394 7.978 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.742 7.339 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.918 9.918 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.713 8.359 5.624 1.00 0.00 H new ATOM 136 N PHE A 48 11.824 7.417 4.587 1.00 0.00 N ATOM 137 CA PHE A 48 10.794 6.512 4.090 1.00 0.00 C ATOM 138 C PHE A 48 9.814 7.250 3.183 1.00 0.00 C ATOM 139 O PHE A 48 9.695 6.939 1.997 1.00 0.00 O ATOM 140 CB PHE A 48 10.041 5.872 5.259 1.00 0.00 C ATOM 141 CG PHE A 48 9.144 4.741 4.846 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.667 3.610 4.240 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.777 4.808 5.063 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.843 2.568 3.859 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.948 3.769 4.684 1.00 0.00 C ATOM 146 CZ PHE A 48 7.482 2.647 4.082 1.00 0.00 C ATOM 0 H PHE A 48 11.979 7.367 5.594 1.00 0.00 H new ATOM 0 HA PHE A 48 11.282 5.730 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.763 5.505 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.444 6.635 5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.730 3.542 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.354 5.683 5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.263 1.692 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.884 3.835 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.837 1.833 3.786 1.00 0.00 H new ATOM 156 N ARG A 49 9.114 8.227 3.748 1.00 0.00 N ATOM 157 CA ARG A 49 8.143 9.008 2.992 1.00 0.00 C ATOM 158 C ARG A 49 8.622 9.232 1.560 1.00 0.00 C ATOM 159 O ARG A 49 7.929 8.891 0.601 1.00 0.00 O ATOM 160 CB ARG A 49 7.895 10.355 3.675 1.00 0.00 C ATOM 161 CG ARG A 49 6.457 10.835 3.572 1.00 0.00 C ATOM 162 CD ARG A 49 5.642 10.418 4.786 1.00 0.00 C ATOM 163 NE ARG A 49 5.642 11.446 5.824 1.00 0.00 N ATOM 164 CZ ARG A 49 5.424 11.192 7.110 1.00 0.00 C ATOM 165 NH1 ARG A 49 5.190 9.951 7.513 1.00 0.00 N ATOM 166 NH2 ARG A 49 5.440 12.181 7.994 1.00 0.00 N ATOM 0 H ARG A 49 9.201 8.497 4.728 1.00 0.00 H new ATOM 0 HA ARG A 49 7.209 8.447 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.168 10.275 4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.552 11.104 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.441 11.921 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.001 10.429 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.616 10.211 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.046 9.491 5.193 1.00 0.00 H new ATOM 0 HE ARG A 49 5.819 12.411 5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.177 9.189 6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.023 9.758 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.620 13.137 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.273 11.986 8.981 1.00 0.00 H new ATOM 180 N LYS A 50 9.811 9.809 1.424 1.00 0.00 N ATOM 181 CA LYS A 50 10.385 10.079 0.111 1.00 0.00 C ATOM 182 C LYS A 50 10.351 8.830 -0.765 1.00 0.00 C ATOM 183 O LYS A 50 9.855 8.864 -1.891 1.00 0.00 O ATOM 184 CB LYS A 50 11.825 10.576 0.253 1.00 0.00 C ATOM 185 CG LYS A 50 11.959 11.811 1.127 1.00 0.00 C ATOM 186 CD LYS A 50 13.250 12.559 0.841 1.00 0.00 C ATOM 187 CE LYS A 50 14.430 11.931 1.565 1.00 0.00 C ATOM 188 NZ LYS A 50 15.079 10.867 0.749 1.00 0.00 N ATOM 0 H LYS A 50 10.396 10.099 2.207 1.00 0.00 H new ATOM 0 HA LYS A 50 9.786 10.854 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.437 9.777 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.223 10.797 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.109 12.472 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.931 11.520 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.440 12.562 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.145 13.599 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.162 12.703 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.092 11.508 2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.075 10.772 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.588 9.963 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.027 11.122 -0.258 1.00 0.00 H new ATOM 202 N ARG A 51 10.879 7.730 -0.239 1.00 0.00 N ATOM 203 CA ARG A 51 10.909 6.471 -0.973 1.00 0.00 C ATOM 204 C ARG A 51 9.503 6.054 -1.395 1.00 0.00 C ATOM 205 O ARG A 51 9.275 5.675 -2.543 1.00 0.00 O ATOM 206 CB ARG A 51 11.543 5.372 -0.118 1.00 0.00 C ATOM 207 CG ARG A 51 12.154 4.243 -0.932 1.00 0.00 C ATOM 208 CD ARG A 51 12.109 2.924 -0.176 1.00 0.00 C ATOM 209 NE ARG A 51 12.876 1.880 -0.851 1.00 0.00 N ATOM 210 CZ ARG A 51 14.185 1.717 -0.702 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.871 2.525 0.095 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.812 0.744 -1.350 1.00 0.00 N ATOM 0 H ARG A 51 11.292 7.685 0.693 1.00 0.00 H new ATOM 0 HA ARG A 51 11.511 6.617 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.315 5.814 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.785 4.959 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.618 4.141 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.187 4.488 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.502 3.069 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.073 2.602 -0.070 1.00 0.00 H new ATOM 0 HE ARG A 51 12.378 1.241 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.393 3.274 0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.877 2.397 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.288 0.120 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.818 0.620 -1.235 1.00 0.00 H new ATOM 226 N MET A 52 8.564 6.126 -0.457 1.00 0.00 N ATOM 227 CA MET A 52 7.180 5.757 -0.732 1.00 0.00 C ATOM 228 C MET A 52 6.579 6.660 -1.804 1.00 0.00 C ATOM 229 O MET A 52 5.837 6.199 -2.671 1.00 0.00 O ATOM 230 CB MET A 52 6.344 5.838 0.547 1.00 0.00 C ATOM 231 CG MET A 52 6.709 4.784 1.580 1.00 0.00 C ATOM 232 SD MET A 52 6.650 3.110 0.914 1.00 0.00 S ATOM 233 CE MET A 52 8.296 2.962 0.223 1.00 0.00 C ATOM 0 H MET A 52 8.736 6.436 0.499 1.00 0.00 H new ATOM 0 HA MET A 52 7.170 4.731 -1.099 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.467 6.826 0.990 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.290 5.733 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.711 4.985 1.960 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.026 4.858 2.426 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.245 3.058 -0.862 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.933 3.749 0.628 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.713 1.989 0.482 1.00 0.00 H new ATOM 243 N GLU A 53 6.905 7.947 -1.738 1.00 0.00 N ATOM 244 CA GLU A 53 6.395 8.913 -2.704 1.00 0.00 C ATOM 245 C GLU A 53 6.909 8.603 -4.107 1.00 0.00 C ATOM 246 O GLU A 53 6.129 8.457 -5.048 1.00 0.00 O ATOM 247 CB GLU A 53 6.802 10.333 -2.302 1.00 0.00 C ATOM 248 CG GLU A 53 6.256 10.763 -0.951 1.00 0.00 C ATOM 249 CD GLU A 53 4.937 11.502 -1.064 1.00 0.00 C ATOM 250 OE1 GLU A 53 4.245 11.329 -2.088 1.00 0.00 O ATOM 251 OE2 GLU A 53 4.597 12.254 -0.126 1.00 0.00 O ATOM 0 H GLU A 53 7.519 8.344 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 53 5.307 8.842 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.890 10.398 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.455 11.031 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.123 9.884 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.986 11.403 -0.455 1.00 0.00 H new ATOM 258 N LYS A 54 8.227 8.505 -4.240 1.00 0.00 N ATOM 259 CA LYS A 54 8.847 8.212 -5.526 1.00 0.00 C ATOM 260 C LYS A 54 8.309 6.907 -6.105 1.00 0.00 C ATOM 261 O LYS A 54 7.984 6.832 -7.290 1.00 0.00 O ATOM 262 CB LYS A 54 10.368 8.125 -5.375 1.00 0.00 C ATOM 263 CG LYS A 54 11.114 8.165 -6.697 1.00 0.00 C ATOM 264 CD LYS A 54 11.252 9.586 -7.217 1.00 0.00 C ATOM 265 CE LYS A 54 12.463 10.285 -6.616 1.00 0.00 C ATOM 266 NZ LYS A 54 12.662 11.643 -7.193 1.00 0.00 N ATOM 0 H LYS A 54 8.887 8.624 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 54 8.601 9.023 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.710 8.949 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.621 7.202 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.103 7.725 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.586 7.557 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.342 9.570 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.350 10.150 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.338 10.364 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.354 9.682 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.496 12.086 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.807 11.566 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.822 12.227 -7.005 1.00 0.00 H new ATOM 280 N GLU A 55 8.216 5.884 -5.262 1.00 0.00 N ATOM 281 CA GLU A 55 7.716 4.583 -5.691 1.00 0.00 C ATOM 282 C GLU A 55 6.311 4.706 -6.274 1.00 0.00 C ATOM 283 O GLU A 55 6.076 4.369 -7.434 1.00 0.00 O ATOM 284 CB GLU A 55 7.710 3.602 -4.518 1.00 0.00 C ATOM 285 CG GLU A 55 9.008 2.827 -4.365 1.00 0.00 C ATOM 286 CD GLU A 55 9.197 1.786 -5.451 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.310 2.175 -6.632 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.232 0.582 -5.119 1.00 0.00 O ATOM 0 H GLU A 55 8.480 5.931 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 55 8.381 4.204 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.514 4.151 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.889 2.897 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.847 3.523 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.022 2.337 -3.391 1.00 0.00 H new ATOM 295 N VAL A 56 5.380 5.191 -5.459 1.00 0.00 N ATOM 296 CA VAL A 56 3.998 5.360 -5.892 1.00 0.00 C ATOM 297 C VAL A 56 3.929 6.006 -7.271 1.00 0.00 C ATOM 298 O VAL A 56 3.382 5.429 -8.211 1.00 0.00 O ATOM 299 CB VAL A 56 3.197 6.218 -4.894 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.818 6.536 -5.450 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.090 5.512 -3.551 1.00 0.00 C ATOM 0 H VAL A 56 5.558 5.474 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 56 3.557 4.364 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 56 3.727 7.158 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.267 7.143 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.921 7.086 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.276 5.608 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.521 6.132 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.583 4.556 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.089 5.341 -3.149 1.00 0.00 H new ATOM 311 N SER A 57 4.488 7.206 -7.385 1.00 0.00 N ATOM 312 CA SER A 57 4.487 7.933 -8.649 1.00 0.00 C ATOM 313 C SER A 57 4.829 7.004 -9.810 1.00 0.00 C ATOM 314 O SER A 57 4.068 6.889 -10.772 1.00 0.00 O ATOM 315 CB SER A 57 5.486 9.091 -8.596 1.00 0.00 C ATOM 316 OG SER A 57 5.118 10.123 -9.495 1.00 0.00 O ATOM 0 H SER A 57 4.948 7.696 -6.617 1.00 0.00 H new ATOM 0 HA SER A 57 3.486 8.333 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.534 9.488 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.483 8.727 -8.844 1.00 0.00 H new ATOM 0 HG SER A 57 5.771 10.852 -9.441 1.00 0.00 H new ATOM 322 N ASP A 58 5.977 6.343 -9.713 1.00 0.00 N ATOM 323 CA ASP A 58 6.420 5.423 -10.753 1.00 0.00 C ATOM 324 C ASP A 58 5.302 4.459 -11.139 1.00 0.00 C ATOM 325 O ASP A 58 5.098 4.168 -12.317 1.00 0.00 O ATOM 326 CB ASP A 58 7.647 4.640 -10.283 1.00 0.00 C ATOM 327 CG ASP A 58 8.507 4.163 -11.436 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.084 3.225 -12.143 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.604 4.728 -11.632 1.00 0.00 O ATOM 0 H ASP A 58 6.618 6.427 -8.924 1.00 0.00 H new ATOM 0 HA ASP A 58 6.688 6.009 -11.632 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.245 5.269 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.323 3.781 -9.696 1.00 0.00 H new ATOM 334 N PHE A 59 4.582 3.967 -10.137 1.00 0.00 N ATOM 335 CA PHE A 59 3.485 3.033 -10.370 1.00 0.00 C ATOM 336 C PHE A 59 2.321 3.727 -11.072 1.00 0.00 C ATOM 337 O PHE A 59 1.726 3.177 -12.000 1.00 0.00 O ATOM 338 CB PHE A 59 3.011 2.430 -9.047 1.00 0.00 C ATOM 339 CG PHE A 59 1.599 1.919 -9.093 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.529 2.789 -8.957 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.342 0.569 -9.271 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.771 2.323 -9.000 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.044 0.097 -9.315 1.00 0.00 C ATOM 344 CZ PHE A 59 -1.014 0.975 -9.177 1.00 0.00 C ATOM 0 H PHE A 59 4.738 4.199 -9.156 1.00 0.00 H new ATOM 0 HA PHE A 59 3.851 2.234 -11.014 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.676 1.612 -8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.091 3.184 -8.264 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.713 3.844 -8.816 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.165 -0.122 -9.377 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.596 3.012 -8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.143 -0.957 -9.457 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.029 0.608 -9.207 1.00 0.00 H new ATOM 354 N ILE A 60 2.002 4.935 -10.622 1.00 0.00 N ATOM 355 CA ILE A 60 0.910 5.704 -11.207 1.00 0.00 C ATOM 356 C ILE A 60 1.100 5.872 -12.711 1.00 0.00 C ATOM 357 O ILE A 60 0.204 5.564 -13.496 1.00 0.00 O ATOM 358 CB ILE A 60 0.790 7.095 -10.558 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.371 6.964 -9.092 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.205 7.954 -11.324 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.579 8.228 -8.288 1.00 0.00 C ATOM 0 H ILE A 60 2.484 5.403 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.006 5.144 -11.019 1.00 0.00 H new ATOM 0 HB ILE A 60 1.765 7.582 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.681 6.684 -9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.936 6.154 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.278 8.934 -10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.133 8.071 -12.354 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.183 7.473 -11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.260 8.061 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.635 8.498 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.008 9.037 -8.723 1.00 0.00 H new ATOM 373 N GLN A 61 2.272 6.360 -13.103 1.00 0.00 N ATOM 374 CA GLN A 61 2.579 6.567 -14.513 1.00 0.00 C ATOM 375 C GLN A 61 2.496 5.255 -15.287 1.00 0.00 C ATOM 376 O GLN A 61 1.915 5.199 -16.371 1.00 0.00 O ATOM 377 CB GLN A 61 3.973 7.177 -14.669 1.00 0.00 C ATOM 378 CG GLN A 61 4.129 8.522 -13.978 1.00 0.00 C ATOM 379 CD GLN A 61 5.547 9.054 -14.049 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.142 9.128 -15.125 1.00 0.00 O ATOM 381 NE2 GLN A 61 6.098 9.428 -12.900 1.00 0.00 N ATOM 0 H GLN A 61 3.024 6.619 -12.465 1.00 0.00 H new ATOM 0 HA GLN A 61 1.840 7.256 -14.922 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.711 6.483 -14.267 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.192 7.295 -15.730 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.451 9.242 -14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.833 8.426 -12.933 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.569 9.350 -12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.050 9.794 -12.886 1.00 0.00 H new ATOM 390 N ASP A 62 3.081 4.204 -14.724 1.00 0.00 N ATOM 391 CA ASP A 62 3.072 2.892 -15.361 1.00 0.00 C ATOM 392 C ASP A 62 1.646 2.376 -15.523 1.00 0.00 C ATOM 393 O ASP A 62 1.008 1.969 -14.551 1.00 0.00 O ATOM 394 CB ASP A 62 3.898 1.899 -14.542 1.00 0.00 C ATOM 395 CG ASP A 62 5.376 1.962 -14.873 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.734 1.694 -16.039 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.173 2.280 -13.967 1.00 0.00 O ATOM 0 H ASP A 62 3.567 4.235 -13.828 1.00 0.00 H new ATOM 0 HA ASP A 62 3.516 2.993 -16.351 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.758 2.103 -13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.531 0.889 -14.724 1.00 0.00 H new ATOM 402 N SER A 63 1.151 2.396 -16.756 1.00 0.00 N ATOM 403 CA SER A 63 -0.202 1.935 -17.045 1.00 0.00 C ATOM 404 C SER A 63 -0.268 0.411 -17.041 1.00 0.00 C ATOM 405 O SER A 63 -1.331 -0.175 -16.839 1.00 0.00 O ATOM 406 CB SER A 63 -0.669 2.474 -18.398 1.00 0.00 C ATOM 407 OG SER A 63 0.342 2.332 -19.380 1.00 0.00 O ATOM 0 H SER A 63 1.667 2.727 -17.571 1.00 0.00 H new ATOM 0 HA SER A 63 -0.863 2.312 -16.265 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.566 1.942 -18.715 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.940 3.525 -18.300 1.00 0.00 H new ATOM 0 HG SER A 63 0.018 2.682 -20.236 1.00 0.00 H new ATOM 413 N GLY A 64 0.877 -0.226 -17.266 1.00 0.00 N ATOM 414 CA GLY A 64 0.928 -1.676 -17.285 1.00 0.00 C ATOM 415 C GLY A 64 0.593 -2.286 -15.939 1.00 0.00 C ATOM 416 O GLY A 64 -0.046 -3.335 -15.868 1.00 0.00 O ATOM 0 H GLY A 64 1.770 0.236 -17.435 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.231 -2.051 -18.034 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.924 -1.997 -17.588 1.00 0.00 H new ATOM 420 N GLN A 65 1.027 -1.628 -14.868 1.00 0.00 N ATOM 421 CA GLN A 65 0.770 -2.113 -13.518 1.00 0.00 C ATOM 422 C GLN A 65 -0.532 -1.539 -12.971 1.00 0.00 C ATOM 423 O GLN A 65 -0.679 -0.324 -12.839 1.00 0.00 O ATOM 424 CB GLN A 65 1.932 -1.746 -12.592 1.00 0.00 C ATOM 425 CG GLN A 65 3.266 -2.330 -13.029 1.00 0.00 C ATOM 426 CD GLN A 65 4.344 -2.174 -11.975 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.180 -2.607 -10.834 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.456 -1.554 -12.352 1.00 0.00 N ATOM 0 H GLN A 65 1.558 -0.758 -14.910 1.00 0.00 H new ATOM 0 HA GLN A 65 0.677 -3.198 -13.561 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.018 -0.660 -12.544 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.706 -2.093 -11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.138 -3.388 -13.258 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.589 -1.841 -13.948 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.550 -1.211 -13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.217 -1.421 -11.686 1.00 0.00 H new ATOM 437 N ILE A 66 -1.475 -2.421 -12.655 1.00 0.00 N ATOM 438 CA ILE A 66 -2.765 -2.001 -12.122 1.00 0.00 C ATOM 439 C ILE A 66 -2.771 -2.048 -10.598 1.00 0.00 C ATOM 440 O ILE A 66 -3.498 -1.298 -9.945 1.00 0.00 O ATOM 441 CB ILE A 66 -3.909 -2.883 -12.656 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.708 -4.336 -12.220 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.989 -2.785 -14.172 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.969 -5.168 -12.293 1.00 0.00 C ATOM 0 H ILE A 66 -1.370 -3.430 -12.759 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.924 -0.975 -12.452 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.850 -2.525 -12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.944 -4.793 -12.849 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.331 -4.351 -11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.802 -3.414 -14.535 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.174 -1.750 -14.460 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.048 -3.121 -14.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.752 -6.186 -11.970 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.729 -4.735 -11.643 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.336 -5.184 -13.319 1.00 0.00 H new ATOM 456 N LYS A 67 -1.955 -2.933 -10.035 1.00 0.00 N ATOM 457 CA LYS A 67 -1.863 -3.077 -8.587 1.00 0.00 C ATOM 458 C LYS A 67 -0.430 -3.378 -8.160 1.00 0.00 C ATOM 459 O LYS A 67 0.395 -3.800 -8.971 1.00 0.00 O ATOM 460 CB LYS A 67 -2.795 -4.190 -8.104 1.00 0.00 C ATOM 461 CG LYS A 67 -2.466 -5.554 -8.686 1.00 0.00 C ATOM 462 CD LYS A 67 -3.125 -6.672 -7.895 1.00 0.00 C ATOM 463 CE LYS A 67 -4.506 -7.002 -8.441 1.00 0.00 C ATOM 464 NZ LYS A 67 -5.247 -7.935 -7.549 1.00 0.00 N ATOM 0 H LYS A 67 -1.347 -3.562 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.168 -2.134 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.746 -4.247 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.821 -3.931 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.797 -5.597 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.386 -5.698 -8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.497 -7.562 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.207 -6.379 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.079 -6.082 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.408 -7.447 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.905 -8.507 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.573 -8.561 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.782 -7.389 -6.843 1.00 0.00 H new ATOM 478 N LYS A 68 -0.140 -3.161 -6.882 1.00 0.00 N ATOM 479 CA LYS A 68 1.192 -3.412 -6.346 1.00 0.00 C ATOM 480 C LYS A 68 1.121 -3.814 -4.876 1.00 0.00 C ATOM 481 O LYS A 68 0.325 -3.270 -4.111 1.00 0.00 O ATOM 482 CB LYS A 68 2.070 -2.168 -6.503 1.00 0.00 C ATOM 483 CG LYS A 68 3.506 -2.376 -6.052 1.00 0.00 C ATOM 484 CD LYS A 68 4.461 -1.452 -6.789 1.00 0.00 C ATOM 485 CE LYS A 68 4.398 -0.035 -6.242 1.00 0.00 C ATOM 486 NZ LYS A 68 5.132 0.928 -7.110 1.00 0.00 N ATOM 0 H LYS A 68 -0.811 -2.811 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 68 1.633 -4.235 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.067 -1.861 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.633 -1.350 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.581 -2.198 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.796 -3.413 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.479 -1.833 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.215 -1.445 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.357 0.275 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.821 -0.014 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.648 1.848 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.104 1.042 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.157 0.567 -8.085 1.00 0.00 H new ATOM 500 N LYS A 69 1.958 -4.770 -4.488 1.00 0.00 N ATOM 501 CA LYS A 69 1.992 -5.244 -3.109 1.00 0.00 C ATOM 502 C LYS A 69 3.238 -4.737 -2.390 1.00 0.00 C ATOM 503 O LYS A 69 4.334 -4.738 -2.951 1.00 0.00 O ATOM 504 CB LYS A 69 1.957 -6.773 -3.073 1.00 0.00 C ATOM 505 CG LYS A 69 1.746 -7.344 -1.681 1.00 0.00 C ATOM 506 CD LYS A 69 1.956 -8.849 -1.658 1.00 0.00 C ATOM 507 CE LYS A 69 1.963 -9.389 -0.236 1.00 0.00 C ATOM 508 NZ LYS A 69 2.497 -10.777 -0.173 1.00 0.00 N ATOM 0 H LYS A 69 2.622 -5.232 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 69 1.113 -4.854 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.158 -7.125 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.893 -7.159 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.436 -6.869 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.737 -7.111 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.166 -9.336 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.900 -9.093 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.567 -8.738 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.949 -9.371 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.485 -11.109 0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.906 -11.403 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.473 -10.790 -0.531 1.00 0.00 H new ATOM 522 N PHE A 70 3.063 -4.305 -1.146 1.00 0.00 N ATOM 523 CA PHE A 70 4.174 -3.796 -0.350 1.00 0.00 C ATOM 524 C PHE A 70 4.445 -4.701 0.848 1.00 0.00 C ATOM 525 O PHE A 70 3.586 -4.879 1.711 1.00 0.00 O ATOM 526 CB PHE A 70 3.876 -2.373 0.129 1.00 0.00 C ATOM 527 CG PHE A 70 4.005 -1.338 -0.952 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.254 -0.913 -1.377 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.878 -0.789 -1.542 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.376 0.040 -2.371 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.994 0.164 -2.536 1.00 0.00 C ATOM 532 CZ PHE A 70 4.244 0.579 -2.951 1.00 0.00 C ATOM 0 H PHE A 70 2.163 -4.297 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 70 5.063 -3.782 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.865 -2.339 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.555 -2.123 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.142 -1.331 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.898 -1.109 -1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.355 0.363 -2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.108 0.584 -2.988 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.336 1.324 -3.728 1.00 0.00 H new ATOM 542 N GLN A 71 5.646 -5.271 0.891 1.00 0.00 N ATOM 543 CA GLN A 71 6.030 -6.159 1.982 1.00 0.00 C ATOM 544 C GLN A 71 6.044 -5.413 3.312 1.00 0.00 C ATOM 545 O GLN A 71 6.491 -4.269 3.405 1.00 0.00 O ATOM 546 CB GLN A 71 7.406 -6.769 1.711 1.00 0.00 C ATOM 547 CG GLN A 71 7.467 -7.586 0.430 1.00 0.00 C ATOM 548 CD GLN A 71 8.859 -7.626 -0.170 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.538 -8.652 -0.124 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.291 -6.507 -0.739 1.00 0.00 N ATOM 0 H GLN A 71 6.368 -5.134 0.184 1.00 0.00 H new ATOM 0 HA GLN A 71 5.292 -6.959 2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.145 -5.969 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.684 -7.405 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.135 -8.603 0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.773 -7.166 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.695 -5.680 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.219 -6.475 -1.161 1.00 0.00 H new ATOM 559 N PRO A 72 5.545 -6.073 4.367 1.00 0.00 N ATOM 560 CA PRO A 72 5.489 -5.491 5.712 1.00 0.00 C ATOM 561 C PRO A 72 6.873 -5.342 6.336 1.00 0.00 C ATOM 562 O PRO A 72 7.285 -6.163 7.155 1.00 0.00 O ATOM 563 CB PRO A 72 4.652 -6.501 6.501 1.00 0.00 C ATOM 564 CG PRO A 72 4.840 -7.792 5.783 1.00 0.00 C ATOM 565 CD PRO A 72 4.995 -7.439 4.329 1.00 0.00 C ATOM 0 HA PRO A 72 5.071 -4.485 5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.988 -6.571 7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.602 -6.211 6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.720 -8.319 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.986 -8.451 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.666 -8.129 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.041 -7.474 3.803 1.00 0.00 H new ATOM 573 N MET A 73 7.584 -4.290 5.944 1.00 0.00 N ATOM 574 CA MET A 73 8.920 -4.033 6.467 1.00 0.00 C ATOM 575 C MET A 73 8.850 -3.452 7.876 1.00 0.00 C ATOM 576 O MET A 73 9.621 -3.835 8.754 1.00 0.00 O ATOM 577 CB MET A 73 9.677 -3.076 5.545 1.00 0.00 C ATOM 578 CG MET A 73 10.072 -3.698 4.215 1.00 0.00 C ATOM 579 SD MET A 73 10.177 -2.485 2.885 1.00 0.00 S ATOM 580 CE MET A 73 8.444 -2.261 2.493 1.00 0.00 C ATOM 0 H MET A 73 7.257 -3.602 5.266 1.00 0.00 H new ATOM 0 HA MET A 73 9.454 -4.982 6.511 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.057 -2.199 5.357 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.575 -2.728 6.055 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.035 -4.197 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.345 -4.464 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.272 -1.232 2.178 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.163 -2.939 1.687 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.841 -2.475 3.375 1.00 0.00 H new ATOM 590 N ASN A 74 7.921 -2.525 8.083 1.00 0.00 N ATOM 591 CA ASN A 74 7.751 -1.890 9.385 1.00 0.00 C ATOM 592 C ASN A 74 6.298 -1.967 9.843 1.00 0.00 C ATOM 593 O ASN A 74 5.435 -2.472 9.124 1.00 0.00 O ATOM 594 CB ASN A 74 8.202 -0.429 9.326 1.00 0.00 C ATOM 595 CG ASN A 74 8.724 0.069 10.660 1.00 0.00 C ATOM 596 OD1 ASN A 74 8.247 1.073 11.190 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.709 -0.632 11.209 1.00 0.00 N ATOM 0 H ASN A 74 7.274 -2.197 7.366 1.00 0.00 H new ATOM 0 HA ASN A 74 8.369 -2.426 10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.981 -0.322 8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.365 0.194 9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.101 -0.345 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.074 -1.458 10.734 1.00 0.00 H new ATOM 604 N LYS A 75 6.033 -1.463 11.043 1.00 0.00 N ATOM 605 CA LYS A 75 4.685 -1.472 11.598 1.00 0.00 C ATOM 606 C LYS A 75 3.957 -0.170 11.279 1.00 0.00 C ATOM 607 O LYS A 75 2.733 -0.149 11.145 1.00 0.00 O ATOM 608 CB LYS A 75 4.736 -1.682 13.112 1.00 0.00 C ATOM 609 CG LYS A 75 3.365 -1.767 13.761 1.00 0.00 C ATOM 610 CD LYS A 75 3.435 -2.422 15.130 1.00 0.00 C ATOM 611 CE LYS A 75 2.092 -3.008 15.537 1.00 0.00 C ATOM 612 NZ LYS A 75 1.257 -2.021 16.277 1.00 0.00 N ATOM 0 H LYS A 75 6.736 -1.042 11.651 1.00 0.00 H new ATOM 0 HA LYS A 75 4.137 -2.296 11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.287 -2.598 13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.293 -0.862 13.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.944 -0.766 13.857 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.692 -2.335 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.189 -3.209 15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.752 -1.687 15.870 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.557 -3.342 14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.253 -3.887 16.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.350 -2.459 16.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.756 -1.721 17.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.081 -1.193 15.673 1.00 0.00 H new ATOM 626 N ILE A 76 4.717 0.913 11.157 1.00 0.00 N ATOM 627 CA ILE A 76 4.144 2.218 10.851 1.00 0.00 C ATOM 628 C ILE A 76 4.207 2.509 9.355 1.00 0.00 C ATOM 629 O ILE A 76 3.420 3.299 8.834 1.00 0.00 O ATOM 630 CB ILE A 76 4.867 3.344 11.613 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.823 3.080 13.119 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.241 4.691 11.288 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.424 3.085 13.693 1.00 0.00 C ATOM 0 H ILE A 76 5.731 0.913 11.265 1.00 0.00 H new ATOM 0 HA ILE A 76 3.102 2.187 11.169 1.00 0.00 H new ATOM 0 HB ILE A 76 5.910 3.365 11.297 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.288 2.116 13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.419 3.836 13.630 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.763 5.476 11.834 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.320 4.880 10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.191 4.684 11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.470 2.891 14.765 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.963 4.057 13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.829 2.310 13.209 1.00 0.00 H new ATOM 645 N GLU A 77 5.148 1.865 8.672 1.00 0.00 N ATOM 646 CA GLU A 77 5.312 2.055 7.235 1.00 0.00 C ATOM 647 C GLU A 77 3.959 2.082 6.531 1.00 0.00 C ATOM 648 O GLU A 77 3.807 2.702 5.478 1.00 0.00 O ATOM 649 CB GLU A 77 6.183 0.942 6.648 1.00 0.00 C ATOM 650 CG GLU A 77 5.552 -0.437 6.741 1.00 0.00 C ATOM 651 CD GLU A 77 5.976 -1.350 5.607 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.008 -1.059 4.966 1.00 0.00 O ATOM 653 OE2 GLU A 77 5.276 -2.354 5.360 1.00 0.00 O ATOM 0 H GLU A 77 5.807 1.208 9.089 1.00 0.00 H new ATOM 0 HA GLU A 77 5.804 3.015 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.390 1.168 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.141 0.930 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.825 -0.894 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.467 -0.337 6.736 1.00 0.00 H new ATOM 660 N ARG A 78 2.978 1.405 7.120 1.00 0.00 N ATOM 661 CA ARG A 78 1.638 1.350 6.550 1.00 0.00 C ATOM 662 C ARG A 78 0.992 2.732 6.544 1.00 0.00 C ATOM 663 O ARG A 78 0.559 3.222 5.501 1.00 0.00 O ATOM 664 CB ARG A 78 0.765 0.371 7.337 1.00 0.00 C ATOM 665 CG ARG A 78 -0.656 0.263 6.811 1.00 0.00 C ATOM 666 CD ARG A 78 -1.260 -1.100 7.110 1.00 0.00 C ATOM 667 NE ARG A 78 -1.306 -1.375 8.543 1.00 0.00 N ATOM 668 CZ ARG A 78 -2.258 -0.917 9.349 1.00 0.00 C ATOM 669 NH1 ARG A 78 -3.237 -0.166 8.864 1.00 0.00 N ATOM 670 NH2 ARG A 78 -2.231 -1.211 10.643 1.00 0.00 N ATOM 0 H ARG A 78 3.087 0.887 7.992 1.00 0.00 H new ATOM 0 HA ARG A 78 1.723 1.003 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.228 -0.615 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.734 0.683 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.272 1.041 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.661 0.436 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.268 -1.148 6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.676 -1.873 6.611 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.567 -1.950 8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.261 0.061 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.967 0.184 9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.479 -1.789 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.962 -0.859 11.261 1.00 0.00 H new ATOM 684 N SER A 79 0.930 3.356 7.716 1.00 0.00 N ATOM 685 CA SER A 79 0.333 4.680 7.847 1.00 0.00 C ATOM 686 C SER A 79 1.032 5.684 6.935 1.00 0.00 C ATOM 687 O SER A 79 0.385 6.512 6.294 1.00 0.00 O ATOM 688 CB SER A 79 0.408 5.155 9.299 1.00 0.00 C ATOM 689 OG SER A 79 -0.121 6.462 9.436 1.00 0.00 O ATOM 0 H SER A 79 1.286 2.966 8.589 1.00 0.00 H new ATOM 0 HA SER A 79 -0.713 4.611 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.144 4.467 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.444 5.142 9.636 1.00 0.00 H new ATOM 0 HG SER A 79 -0.063 6.742 10.373 1.00 0.00 H new ATOM 695 N ILE A 80 2.357 5.603 6.882 1.00 0.00 N ATOM 696 CA ILE A 80 3.145 6.503 6.049 1.00 0.00 C ATOM 697 C ILE A 80 2.816 6.312 4.572 1.00 0.00 C ATOM 698 O ILE A 80 2.433 7.259 3.883 1.00 0.00 O ATOM 699 CB ILE A 80 4.655 6.287 6.259 1.00 0.00 C ATOM 700 CG1 ILE A 80 5.031 6.544 7.720 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.453 7.195 5.334 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.308 5.855 8.145 1.00 0.00 C ATOM 0 H ILE A 80 2.908 4.923 7.406 1.00 0.00 H new ATOM 0 HA ILE A 80 2.887 7.519 6.349 1.00 0.00 H new ATOM 0 HB ILE A 80 4.896 5.252 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.138 7.618 7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.216 6.208 8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.519 7.031 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.203 6.969 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.210 8.236 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.513 6.081 9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.199 4.778 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.135 6.209 7.529 1.00 0.00 H new ATOM 714 N LEU A 81 2.967 5.083 4.092 1.00 0.00 N ATOM 715 CA LEU A 81 2.684 4.767 2.696 1.00 0.00 C ATOM 716 C LEU A 81 1.254 5.149 2.330 1.00 0.00 C ATOM 717 O LEU A 81 1.004 5.710 1.263 1.00 0.00 O ATOM 718 CB LEU A 81 2.909 3.277 2.434 1.00 0.00 C ATOM 719 CG LEU A 81 2.493 2.767 1.054 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.196 3.554 -0.040 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.792 1.281 0.922 1.00 0.00 C ATOM 0 H LEU A 81 3.284 4.289 4.648 1.00 0.00 H new ATOM 0 HA LEU A 81 3.366 5.346 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.968 3.060 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.364 2.710 3.188 1.00 0.00 H new ATOM 0 HG LEU A 81 1.418 2.912 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.888 3.177 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.930 4.608 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.275 3.442 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.489 0.935 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.861 1.112 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.240 0.730 1.684 1.00 0.00 H new ATOM 733 N HIS A 82 0.318 4.843 3.223 1.00 0.00 N ATOM 734 CA HIS A 82 -1.088 5.156 2.995 1.00 0.00 C ATOM 735 C HIS A 82 -1.267 6.633 2.655 1.00 0.00 C ATOM 736 O HIS A 82 -1.851 6.977 1.627 1.00 0.00 O ATOM 737 CB HIS A 82 -1.918 4.801 4.229 1.00 0.00 C ATOM 738 CG HIS A 82 -2.467 3.408 4.201 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.462 3.009 3.334 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.153 2.318 4.939 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.738 1.733 3.541 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.957 1.290 4.510 1.00 0.00 N ATOM 0 H HIS A 82 0.508 4.379 4.111 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.435 4.561 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.300 4.921 5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.744 5.507 4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.409 2.266 5.720 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.476 1.152 3.009 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.952 0.339 4.880 1.00 0.00 H new ATOM 750 N ASP A 83 -0.761 7.501 3.524 1.00 0.00 N ATOM 751 CA ASP A 83 -0.865 8.940 3.315 1.00 0.00 C ATOM 752 C ASP A 83 -0.305 9.334 1.952 1.00 0.00 C ATOM 753 O ASP A 83 -0.902 10.133 1.231 1.00 0.00 O ATOM 754 CB ASP A 83 -0.123 9.692 4.422 1.00 0.00 C ATOM 755 CG ASP A 83 -0.559 11.140 4.531 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.780 11.386 4.627 1.00 0.00 O ATOM 757 OD2 ASP A 83 0.319 12.027 4.521 1.00 0.00 O ATOM 0 H ASP A 83 -0.275 7.233 4.380 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.920 9.211 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.294 9.191 5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.949 9.652 4.229 1.00 0.00 H new ATOM 762 N VAL A 84 0.847 8.767 1.605 1.00 0.00 N ATOM 763 CA VAL A 84 1.488 9.059 0.329 1.00 0.00 C ATOM 764 C VAL A 84 0.585 8.679 -0.839 1.00 0.00 C ATOM 765 O VAL A 84 0.527 9.383 -1.848 1.00 0.00 O ATOM 766 CB VAL A 84 2.828 8.312 0.191 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.468 8.608 -1.157 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.766 8.686 1.329 1.00 0.00 C ATOM 0 H VAL A 84 1.355 8.103 2.190 1.00 0.00 H new ATOM 0 HA VAL A 84 1.674 10.133 0.306 1.00 0.00 H new ATOM 0 HB VAL A 84 2.634 7.241 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.414 8.072 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.800 8.286 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.650 9.679 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.708 8.149 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.955 9.759 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.308 8.418 2.281 1.00 0.00 H new ATOM 778 N VAL A 85 -0.120 7.561 -0.696 1.00 0.00 N ATOM 779 CA VAL A 85 -1.023 7.088 -1.739 1.00 0.00 C ATOM 780 C VAL A 85 -2.239 7.998 -1.867 1.00 0.00 C ATOM 781 O VAL A 85 -2.474 8.591 -2.919 1.00 0.00 O ATOM 782 CB VAL A 85 -1.498 5.650 -1.459 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.550 5.228 -2.473 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.320 4.688 -1.470 1.00 0.00 C ATOM 0 H VAL A 85 -0.083 6.966 0.132 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.463 7.102 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.951 5.623 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.874 4.209 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.405 5.901 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.126 5.271 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.674 3.677 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.164 4.717 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.395 4.980 -0.701 1.00 0.00 H new ATOM 794 N GLU A 86 -3.009 8.103 -0.788 1.00 0.00 N ATOM 795 CA GLU A 86 -4.202 8.941 -0.781 1.00 0.00 C ATOM 796 C GLU A 86 -3.912 10.305 -1.400 1.00 0.00 C ATOM 797 O GLU A 86 -4.766 10.891 -2.067 1.00 0.00 O ATOM 798 CB GLU A 86 -4.720 9.117 0.648 1.00 0.00 C ATOM 799 CG GLU A 86 -3.942 10.141 1.456 1.00 0.00 C ATOM 800 CD GLU A 86 -4.679 10.582 2.705 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.625 11.389 2.581 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.312 10.122 3.806 1.00 0.00 O ATOM 0 H GLU A 86 -2.828 7.619 0.091 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.967 8.445 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.768 9.416 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.680 8.156 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.978 9.719 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.739 11.012 0.832 1.00 0.00 H new ATOM 809 N VAL A 87 -2.702 10.806 -1.174 1.00 0.00 N ATOM 810 CA VAL A 87 -2.298 12.101 -1.710 1.00 0.00 C ATOM 811 C VAL A 87 -2.021 12.014 -3.206 1.00 0.00 C ATOM 812 O VAL A 87 -2.356 12.925 -3.964 1.00 0.00 O ATOM 813 CB VAL A 87 -1.043 12.636 -0.996 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.579 13.936 -1.636 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.316 12.830 0.488 1.00 0.00 C ATOM 0 H VAL A 87 -1.984 10.335 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.126 12.788 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.245 11.901 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.309 14.300 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.341 13.760 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.372 14.681 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.418 13.209 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.129 13.545 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.597 11.876 0.934 1.00 0.00 H new ATOM 825 N ALA A 88 -1.407 10.913 -3.626 1.00 0.00 N ATOM 826 CA ALA A 88 -1.087 10.706 -5.033 1.00 0.00 C ATOM 827 C ALA A 88 -2.354 10.539 -5.866 1.00 0.00 C ATOM 828 O ALA A 88 -2.396 10.922 -7.034 1.00 0.00 O ATOM 829 CB ALA A 88 -0.183 9.493 -5.196 1.00 0.00 C ATOM 0 H ALA A 88 -1.121 10.150 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.560 11.590 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.048 9.350 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.741 9.651 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.690 8.607 -4.813 1.00 0.00 H new ATOM 835 N GLY A 89 -3.386 9.963 -5.256 1.00 0.00 N ATOM 836 CA GLY A 89 -4.640 9.755 -5.956 1.00 0.00 C ATOM 837 C GLY A 89 -4.886 8.295 -6.282 1.00 0.00 C ATOM 838 O GLY A 89 -5.455 7.971 -7.326 1.00 0.00 O ATOM 0 H GLY A 89 -3.376 9.637 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.461 10.131 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.638 10.335 -6.879 1.00 0.00 H new ATOM 842 N LEU A 90 -4.456 7.411 -5.389 1.00 0.00 N ATOM 843 CA LEU A 90 -4.632 5.976 -5.587 1.00 0.00 C ATOM 844 C LEU A 90 -5.312 5.339 -4.379 1.00 0.00 C ATOM 845 O LEU A 90 -5.439 5.961 -3.324 1.00 0.00 O ATOM 846 CB LEU A 90 -3.280 5.306 -5.837 1.00 0.00 C ATOM 847 CG LEU A 90 -2.552 5.722 -7.116 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.147 5.139 -7.144 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.337 5.283 -8.343 1.00 0.00 C ATOM 0 H LEU A 90 -3.983 7.662 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.270 5.830 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.630 5.517 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.431 4.227 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.473 6.809 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.644 5.445 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.585 5.502 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.204 4.051 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.804 5.587 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.447 4.199 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.323 5.748 -8.330 1.00 0.00 H new ATOM 861 N THR A 91 -5.746 4.092 -4.539 1.00 0.00 N ATOM 862 CA THR A 91 -6.411 3.370 -3.463 1.00 0.00 C ATOM 863 C THR A 91 -5.454 2.402 -2.776 1.00 0.00 C ATOM 864 O THR A 91 -4.688 1.699 -3.435 1.00 0.00 O ATOM 865 CB THR A 91 -7.631 2.586 -3.982 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.567 3.482 -4.591 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.309 1.828 -2.851 1.00 0.00 C ATOM 0 H THR A 91 -5.648 3.562 -5.405 1.00 0.00 H new ATOM 0 HA THR A 91 -6.747 4.116 -2.743 1.00 0.00 H new ATOM 0 HB THR A 91 -7.283 1.866 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.339 2.975 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.168 1.282 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.603 1.125 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.643 2.533 -2.090 1.00 0.00 H new ATOM 875 N SER A 92 -5.503 2.371 -1.448 1.00 0.00 N ATOM 876 CA SER A 92 -4.638 1.492 -0.672 1.00 0.00 C ATOM 877 C SER A 92 -5.453 0.657 0.311 1.00 0.00 C ATOM 878 O SER A 92 -6.579 1.011 0.660 1.00 0.00 O ATOM 879 CB SER A 92 -3.589 2.310 0.084 1.00 0.00 C ATOM 880 OG SER A 92 -2.396 1.568 0.265 1.00 0.00 O ATOM 0 H SER A 92 -6.133 2.945 -0.888 1.00 0.00 H new ATOM 0 HA SER A 92 -4.133 0.818 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.371 3.225 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.986 2.608 1.054 1.00 0.00 H new ATOM 0 HG SER A 92 -2.543 0.640 -0.012 1.00 0.00 H new ATOM 886 N PHE A 93 -4.876 -0.456 0.754 1.00 0.00 N ATOM 887 CA PHE A 93 -5.548 -1.343 1.696 1.00 0.00 C ATOM 888 C PHE A 93 -4.551 -2.291 2.356 1.00 0.00 C ATOM 889 O PHE A 93 -3.450 -2.503 1.849 1.00 0.00 O ATOM 890 CB PHE A 93 -6.637 -2.147 0.983 1.00 0.00 C ATOM 891 CG PHE A 93 -7.876 -1.350 0.690 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.681 -0.893 1.721 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.235 -1.057 -0.616 1.00 0.00 C ATOM 894 CE1 PHE A 93 -9.822 -0.160 1.454 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.375 -0.324 -0.889 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.169 0.126 0.148 1.00 0.00 C ATOM 0 H PHE A 93 -3.945 -0.765 0.475 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.007 -0.729 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.236 -2.537 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.904 -3.006 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.414 -1.112 2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.617 -1.405 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.442 0.189 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.644 -0.104 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.059 0.700 -0.062 1.00 0.00 H new ATOM 906 N SER A 94 -4.945 -2.857 3.493 1.00 0.00 N ATOM 907 CA SER A 94 -4.085 -3.778 4.226 1.00 0.00 C ATOM 908 C SER A 94 -4.690 -5.178 4.256 1.00 0.00 C ATOM 909 O SER A 94 -5.793 -5.380 4.766 1.00 0.00 O ATOM 910 CB SER A 94 -3.864 -3.275 5.654 1.00 0.00 C ATOM 911 OG SER A 94 -2.655 -3.782 6.192 1.00 0.00 O ATOM 0 H SER A 94 -5.854 -2.694 3.926 1.00 0.00 H new ATOM 0 HA SER A 94 -3.125 -3.827 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.839 -2.185 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.701 -3.578 6.283 1.00 0.00 H new ATOM 0 HG SER A 94 -2.158 -4.255 5.492 1.00 0.00 H new ATOM 917 N PHE A 95 -3.961 -6.143 3.706 1.00 0.00 N ATOM 918 CA PHE A 95 -4.424 -7.525 3.668 1.00 0.00 C ATOM 919 C PHE A 95 -3.298 -8.487 4.034 1.00 0.00 C ATOM 920 O PHE A 95 -2.238 -8.485 3.409 1.00 0.00 O ATOM 921 CB PHE A 95 -4.969 -7.865 2.279 1.00 0.00 C ATOM 922 CG PHE A 95 -5.965 -6.865 1.765 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.141 -6.621 2.456 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.725 -6.168 0.592 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.060 -5.702 1.984 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.639 -5.247 0.116 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.808 -5.013 0.814 1.00 0.00 C ATOM 0 H PHE A 95 -3.046 -5.993 3.280 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.223 -7.634 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.137 -7.931 1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.438 -8.849 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.342 -7.154 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.812 -6.347 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.974 -5.523 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.440 -4.711 -0.800 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.523 -4.293 0.445 1.00 0.00 H new ATOM 937 N GLY A 96 -3.536 -9.309 5.052 1.00 0.00 N ATOM 938 CA GLY A 96 -2.533 -10.264 5.484 1.00 0.00 C ATOM 939 C GLY A 96 -3.126 -11.620 5.811 1.00 0.00 C ATOM 940 O GLY A 96 -4.299 -11.721 6.170 1.00 0.00 O ATOM 0 H GLY A 96 -4.406 -9.330 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.783 -10.378 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.019 -9.874 6.363 1.00 0.00 H new ATOM 944 N GLU A 97 -2.315 -12.666 5.684 1.00 0.00 N ATOM 945 CA GLU A 97 -2.769 -14.022 5.966 1.00 0.00 C ATOM 946 C GLU A 97 -2.851 -14.267 7.470 1.00 0.00 C ATOM 947 O GLU A 97 -3.736 -14.978 7.946 1.00 0.00 O ATOM 948 CB GLU A 97 -1.827 -15.043 5.324 1.00 0.00 C ATOM 949 CG GLU A 97 -2.308 -16.478 5.448 1.00 0.00 C ATOM 950 CD GLU A 97 -1.371 -17.468 4.785 1.00 0.00 C ATOM 951 OE1 GLU A 97 -1.376 -17.545 3.538 1.00 0.00 O ATOM 952 OE2 GLU A 97 -0.632 -18.166 5.511 1.00 0.00 O ATOM 0 H GLU A 97 -1.341 -12.600 5.388 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.766 -14.139 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.706 -14.799 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.843 -14.957 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.412 -16.732 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.298 -16.565 5.000 1.00 0.00 H new ATOM 959 N ASP A 98 -1.924 -13.672 8.212 1.00 0.00 N ATOM 960 CA ASP A 98 -1.891 -13.823 9.662 1.00 0.00 C ATOM 961 C ASP A 98 -1.891 -12.462 10.351 1.00 0.00 C ATOM 962 O ASP A 98 -1.192 -11.542 9.928 1.00 0.00 O ATOM 963 CB ASP A 98 -0.658 -14.623 10.085 1.00 0.00 C ATOM 964 CG ASP A 98 -0.700 -16.056 9.591 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.668 -16.771 9.926 1.00 0.00 O ATOM 966 OD2 ASP A 98 0.235 -16.462 8.870 1.00 0.00 O ATOM 0 H ASP A 98 -1.185 -13.080 7.833 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.787 -14.364 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.238 -14.135 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.581 -14.619 11.172 1.00 0.00 H new ATOM 971 N ASP A 99 -2.680 -12.343 11.413 1.00 0.00 N ATOM 972 CA ASP A 99 -2.771 -11.094 12.161 1.00 0.00 C ATOM 973 C ASP A 99 -1.390 -10.477 12.359 1.00 0.00 C ATOM 974 O ASP A 99 -1.232 -9.257 12.316 1.00 0.00 O ATOM 975 CB ASP A 99 -3.435 -11.335 13.517 1.00 0.00 C ATOM 976 CG ASP A 99 -3.916 -10.050 14.162 1.00 0.00 C ATOM 977 OD1 ASP A 99 -4.572 -9.247 13.467 1.00 0.00 O ATOM 978 OD2 ASP A 99 -3.636 -9.847 15.362 1.00 0.00 O ATOM 0 H ASP A 99 -3.266 -13.096 11.775 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.381 -10.398 11.585 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.279 -12.012 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.727 -11.829 14.182 1.00 0.00 H new ATOM 983 N ASP A 100 -0.393 -11.328 12.578 1.00 0.00 N ATOM 984 CA ASP A 100 0.975 -10.867 12.783 1.00 0.00 C ATOM 985 C ASP A 100 1.542 -10.262 11.502 1.00 0.00 C ATOM 986 O ASP A 100 2.208 -9.227 11.536 1.00 0.00 O ATOM 987 CB ASP A 100 1.860 -12.023 13.251 1.00 0.00 C ATOM 988 CG ASP A 100 3.110 -11.544 13.964 1.00 0.00 C ATOM 989 OD1 ASP A 100 3.050 -10.478 14.612 1.00 0.00 O ATOM 990 OD2 ASP A 100 4.147 -12.233 13.873 1.00 0.00 O ATOM 0 H ASP A 100 -0.507 -12.341 12.618 1.00 0.00 H new ATOM 0 HA ASP A 100 0.961 -10.095 13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.288 -12.667 13.919 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.145 -12.629 12.391 1.00 0.00 H new ATOM 995 N CYS A 101 1.275 -10.914 10.377 1.00 0.00 N ATOM 996 CA CYS A 101 1.760 -10.442 9.085 1.00 0.00 C ATOM 997 C CYS A 101 0.645 -9.753 8.305 1.00 0.00 C ATOM 998 O CYS A 101 -0.364 -10.371 7.968 1.00 0.00 O ATOM 999 CB CYS A 101 2.324 -11.607 8.271 1.00 0.00 C ATOM 1000 SG CYS A 101 3.841 -12.317 8.952 1.00 0.00 S ATOM 0 H CYS A 101 0.725 -11.772 10.333 1.00 0.00 H new ATOM 0 HA CYS A 101 2.554 -9.717 9.266 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.568 -12.389 8.204 1.00 0.00 H new ATOM 0 HB3 CYS A 101 2.520 -11.265 7.255 1.00 0.00 H new ATOM 0 HG CYS A 101 4.239 -13.297 8.196 1.00 0.00 H new ATOM 1006 N ARG A 102 0.835 -8.468 8.022 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.156 -7.694 7.283 1.00 0.00 C ATOM 1008 C ARG A 102 0.521 -6.722 6.321 1.00 0.00 C ATOM 1009 O ARG A 102 1.122 -5.733 6.741 1.00 0.00 O ATOM 1010 CB ARG A 102 -1.058 -6.925 8.251 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.468 -6.709 7.727 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.458 -6.499 8.862 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.120 -5.333 9.674 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.002 -4.671 10.414 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -5.270 -5.060 10.445 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -3.618 -3.620 11.126 1.00 0.00 N ATOM 0 H ARG A 102 1.665 -7.941 8.293 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.764 -8.388 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.109 -7.467 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.606 -5.956 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.483 -5.843 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.772 -7.570 7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.460 -6.376 8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.479 -7.387 9.494 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.153 -5.009 9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.569 -5.869 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.946 -4.550 11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.644 -3.319 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.297 -3.113 11.694 1.00 0.00 H new ATOM 1030 N TYR A 103 0.420 -7.012 5.028 1.00 0.00 N ATOM 1031 CA TYR A 103 1.024 -6.165 4.006 1.00 0.00 C ATOM 1032 C TYR A 103 0.049 -5.086 3.546 1.00 0.00 C ATOM 1033 O TYR A 103 -1.149 -5.156 3.822 1.00 0.00 O ATOM 1034 CB TYR A 103 1.468 -7.011 2.811 1.00 0.00 C ATOM 1035 CG TYR A 103 0.336 -7.764 2.149 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.572 -7.110 1.326 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.176 -9.130 2.345 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.608 -7.793 0.719 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.856 -9.822 1.741 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.746 -9.150 0.930 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.775 -9.835 0.327 1.00 0.00 O ATOM 0 H TYR A 103 -0.074 -7.826 4.663 1.00 0.00 H new ATOM 0 HA TYR A 103 1.896 -5.678 4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.942 -6.363 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.223 -7.724 3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.466 -6.048 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.870 -9.660 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.306 -7.268 0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.965 -10.884 1.903 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.729 -10.781 0.578 1.00 0.00 H new ATOM 1051 N VAL A 104 0.571 -4.088 2.841 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.252 -2.993 2.339 1.00 0.00 C ATOM 1053 C VAL A 104 -0.281 -2.982 0.815 1.00 0.00 C ATOM 1054 O VAL A 104 0.729 -2.707 0.167 1.00 0.00 O ATOM 1055 CB VAL A 104 0.259 -1.631 2.843 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.699 -1.405 2.405 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.640 -0.508 2.346 1.00 0.00 C ATOM 0 H VAL A 104 1.560 -4.015 2.604 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.261 -3.156 2.717 1.00 0.00 H new ATOM 0 HB VAL A 104 0.232 -1.633 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.043 -0.437 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.332 -2.193 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.755 -1.423 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.264 0.448 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.646 -0.502 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.654 -0.664 2.714 1.00 0.00 H new ATOM 1067 N MET A 105 -1.445 -3.280 0.249 1.00 0.00 N ATOM 1068 CA MET A 105 -1.607 -3.302 -1.201 1.00 0.00 C ATOM 1069 C MET A 105 -2.202 -1.990 -1.701 1.00 0.00 C ATOM 1070 O MET A 105 -2.761 -1.215 -0.924 1.00 0.00 O ATOM 1071 CB MET A 105 -2.498 -4.473 -1.618 1.00 0.00 C ATOM 1072 CG MET A 105 -1.725 -5.744 -1.932 1.00 0.00 C ATOM 1073 SD MET A 105 -1.084 -5.769 -3.617 1.00 0.00 S ATOM 1074 CE MET A 105 -2.260 -6.863 -4.410 1.00 0.00 C ATOM 0 H MET A 105 -2.290 -3.510 0.771 1.00 0.00 H new ATOM 0 HA MET A 105 -0.622 -3.427 -1.650 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.211 -4.679 -0.819 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.077 -4.184 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.896 -5.843 -1.231 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.375 -6.606 -1.782 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.825 -7.261 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.504 -7.685 -3.737 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.168 -6.309 -4.650 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.079 -1.748 -3.002 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.607 -0.530 -3.604 1.00 0.00 C ATOM 1086 C ILE A 106 -3.160 -0.802 -4.999 1.00 0.00 C ATOM 1087 O ILE A 106 -2.554 -1.527 -5.789 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.528 0.565 -3.697 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.300 0.041 -4.444 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.143 1.048 -2.306 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.447 1.112 -5.206 1.00 0.00 C ATOM 0 H ILE A 106 -1.619 -2.379 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.412 -0.182 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.935 1.409 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.378 -0.425 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.613 -0.737 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.380 1.822 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.022 1.456 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.752 0.212 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.305 0.668 -5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.216 1.562 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.791 1.879 -4.512 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.314 -0.214 -5.297 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.949 -0.392 -6.598 1.00 0.00 C ATOM 1105 C PHE A 107 -5.147 0.951 -7.295 1.00 0.00 C ATOM 1106 O PHE A 107 -5.024 2.009 -6.677 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.296 -1.100 -6.439 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.174 -2.522 -5.970 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.658 -2.810 -4.716 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.575 -3.570 -6.782 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.544 -4.117 -4.283 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.464 -4.879 -6.354 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.948 -5.153 -5.102 1.00 0.00 C ATOM 0 H PHE A 107 -4.828 0.390 -4.656 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.293 -1.008 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.909 -0.543 -5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.821 -1.085 -7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.342 -2.004 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.979 -3.361 -7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.139 -4.328 -3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.780 -5.687 -6.997 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.861 -6.175 -4.765 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.455 0.901 -8.586 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.671 2.112 -9.369 1.00 0.00 C ATOM 1125 C LYS A 108 -7.126 2.562 -9.285 1.00 0.00 C ATOM 1126 O LYS A 108 -7.969 1.868 -8.716 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.284 1.875 -10.831 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.830 2.195 -11.134 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.576 2.269 -12.630 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.389 3.164 -12.951 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.410 3.628 -14.365 1.00 0.00 N ATOM 0 H LYS A 108 -5.561 0.034 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.041 2.899 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.479 0.833 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.923 2.484 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.561 3.144 -10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.189 1.432 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.393 1.267 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.466 2.649 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.395 4.027 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.463 2.621 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.507 4.091 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.549 2.813 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.189 4.305 -14.497 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.415 3.726 -9.856 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.768 4.268 -9.848 1.00 0.00 C ATOM 1147 C LYS A 109 -9.722 3.361 -10.619 1.00 0.00 C ATOM 1148 O LYS A 109 -10.796 3.015 -10.128 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.781 5.673 -10.455 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.079 6.426 -10.220 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.080 7.771 -10.927 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.490 8.207 -11.293 1.00 0.00 C ATOM 1153 NZ LYS A 109 -12.036 7.418 -12.432 1.00 0.00 N ATOM 0 H LYS A 109 -6.729 4.313 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.104 4.323 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.956 6.248 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.604 5.598 -11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.918 5.827 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.225 6.576 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.621 8.522 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.471 7.710 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.142 8.093 -10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.487 9.266 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.855 7.915 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.303 7.307 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.332 6.480 -12.094 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.321 2.980 -11.827 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.141 2.112 -12.665 1.00 0.00 C ATOM 1169 C GLU A 110 -10.015 0.656 -12.227 1.00 0.00 C ATOM 1170 O GLU A 110 -10.993 -0.092 -12.230 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.736 2.252 -14.133 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.458 1.287 -15.059 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.966 1.422 -14.980 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.510 2.363 -15.596 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.603 0.587 -14.304 1.00 0.00 O ATOM 0 H GLU A 110 -8.434 3.258 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.181 2.418 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.934 3.273 -14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.661 2.092 -14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.134 1.463 -16.085 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.175 0.265 -14.806 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.803 0.260 -11.851 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.547 -1.107 -11.412 1.00 0.00 C ATOM 1184 C PHE A 111 -8.758 -1.243 -9.907 1.00 0.00 C ATOM 1185 O PHE A 111 -8.289 -2.198 -9.288 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.122 -1.524 -11.780 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.816 -1.389 -13.244 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.417 -2.225 -14.171 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.927 -0.426 -13.693 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.137 -2.103 -15.519 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.643 -0.299 -15.040 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.250 -1.138 -15.954 1.00 0.00 C ATOM 0 H PHE A 111 -7.983 0.866 -11.842 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.253 -1.764 -11.920 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.417 -0.917 -11.212 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.966 -2.560 -11.479 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.112 -2.981 -13.836 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.450 0.233 -12.983 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.611 -2.762 -16.231 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.947 0.455 -15.377 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.031 -1.040 -17.007 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.465 -0.280 -9.325 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.739 -0.293 -7.894 1.00 0.00 C ATOM 1204 C ALA A 112 -10.733 -1.392 -7.534 1.00 0.00 C ATOM 1205 O ALA A 112 -11.655 -1.700 -8.290 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.265 1.063 -7.445 1.00 0.00 C ATOM 0 H ALA A 112 -9.858 0.519 -9.823 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.804 -0.500 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.466 1.039 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.521 1.831 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.186 1.292 -7.981 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.543 -2.000 -6.354 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.412 -3.076 -5.868 1.00 0.00 C ATOM 1214 C PRO A 113 -12.803 -2.573 -5.496 1.00 0.00 C ATOM 1215 O PRO A 113 -12.974 -1.413 -5.120 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.680 -3.591 -4.627 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.863 -2.435 -4.162 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.464 -1.684 -5.403 1.00 0.00 C ATOM 0 HA PRO A 113 -11.579 -3.840 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.382 -3.914 -3.859 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.052 -4.449 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.436 -1.798 -3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.985 -2.774 -3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.392 -0.612 -5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.492 -2.009 -5.775 1.00 0.00 H new ATOM 1226 N SER A 114 -13.794 -3.453 -5.602 1.00 0.00 N ATOM 1227 CA SER A 114 -15.170 -3.097 -5.280 1.00 0.00 C ATOM 1228 C SER A 114 -15.492 -3.431 -3.826 1.00 0.00 C ATOM 1229 O SER A 114 -14.745 -4.151 -3.164 1.00 0.00 O ATOM 1230 CB SER A 114 -16.140 -3.828 -6.210 1.00 0.00 C ATOM 1231 OG SER A 114 -16.364 -3.088 -7.397 1.00 0.00 O ATOM 0 H SER A 114 -13.669 -4.418 -5.909 1.00 0.00 H new ATOM 0 HA SER A 114 -15.283 -2.022 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.738 -4.810 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.087 -3.992 -5.696 1.00 0.00 H new ATOM 0 HG SER A 114 -16.986 -3.577 -7.975 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.608 -2.903 -3.338 1.00 0.00 N ATOM 1238 CA ASP A 115 -17.031 -3.146 -1.963 1.00 0.00 C ATOM 1239 C ASP A 115 -17.144 -4.641 -1.685 1.00 0.00 C ATOM 1240 O ASP A 115 -16.373 -5.196 -0.903 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.371 -2.461 -1.691 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.297 -0.956 -1.859 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.398 -0.334 -1.256 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.138 -0.400 -2.595 1.00 0.00 O ATOM 0 H ASP A 115 -17.237 -2.304 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.276 -2.728 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.125 -2.863 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.696 -2.695 -0.677 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.111 -5.287 -2.330 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.325 -6.718 -2.150 1.00 0.00 C ATOM 1251 C GLU A 116 -17.034 -7.495 -2.385 1.00 0.00 C ATOM 1252 O GLU A 116 -16.719 -8.431 -1.651 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.414 -7.216 -3.102 1.00 0.00 C ATOM 1254 CG GLU A 116 -18.926 -7.436 -4.524 1.00 0.00 C ATOM 1255 CD GLU A 116 -20.063 -7.537 -5.522 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.994 -8.334 -5.281 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -20.021 -6.822 -6.545 1.00 0.00 O ATOM 0 H GLU A 116 -18.758 -4.842 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.647 -6.885 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.821 -8.151 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.231 -6.495 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.269 -6.615 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -18.331 -8.349 -4.563 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.291 -7.100 -3.415 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.034 -7.761 -3.747 1.00 0.00 C ATOM 1266 C GLU A 117 -14.021 -7.602 -2.618 1.00 0.00 C ATOM 1267 O GLU A 117 -13.271 -8.529 -2.307 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.461 -7.190 -5.046 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.426 -7.253 -6.217 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.569 -8.654 -6.781 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -14.613 -9.133 -7.426 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.636 -9.270 -6.578 1.00 0.00 O ATOM 0 H GLU A 117 -16.538 -6.327 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.236 -8.823 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.172 -6.152 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.554 -7.736 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.404 -6.893 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.081 -6.582 -7.004 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.003 -6.422 -2.008 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.081 -6.140 -0.913 1.00 0.00 C ATOM 1281 C LEU A 118 -13.303 -7.105 0.247 1.00 0.00 C ATOM 1282 O LEU A 118 -12.355 -7.695 0.768 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.254 -4.699 -0.433 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.567 -3.623 -1.274 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.148 -2.252 -0.967 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -11.065 -3.635 -1.032 1.00 0.00 C ATOM 0 H LEU A 118 -14.616 -5.645 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.064 -6.273 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.320 -4.476 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.877 -4.630 0.587 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.747 -3.843 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.646 -1.500 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.214 -2.250 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.001 -2.022 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.593 -2.863 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.865 -3.442 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.660 -4.609 -1.305 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.560 -7.264 0.646 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.907 -8.160 1.743 1.00 0.00 C ATOM 1300 C ASP A 119 -14.481 -9.591 1.431 1.00 0.00 C ATOM 1301 O ASP A 119 -13.937 -10.288 2.288 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.412 -8.111 2.013 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.792 -8.814 3.301 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.322 -8.381 4.375 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.560 -9.796 3.237 1.00 0.00 O ATOM 0 H ASP A 119 -15.356 -6.784 0.226 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.374 -7.827 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.736 -7.071 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.943 -8.572 1.180 1.00 0.00 H new ATOM 1310 N SER A 120 -14.732 -10.023 0.199 1.00 0.00 N ATOM 1311 CA SER A 120 -14.378 -11.373 -0.224 1.00 0.00 C ATOM 1312 C SER A 120 -12.863 -11.535 -0.311 1.00 0.00 C ATOM 1313 O SER A 120 -12.318 -12.577 0.056 1.00 0.00 O ATOM 1314 CB SER A 120 -15.014 -11.688 -1.579 1.00 0.00 C ATOM 1315 OG SER A 120 -14.314 -11.049 -2.633 1.00 0.00 O ATOM 0 H SER A 120 -15.179 -9.458 -0.523 1.00 0.00 H new ATOM 0 HA SER A 120 -14.759 -12.072 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.016 -12.766 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.054 -11.363 -1.580 1.00 0.00 H new ATOM 0 HG SER A 120 -14.115 -10.123 -2.380 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.190 -10.499 -0.798 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.739 -10.527 -0.935 1.00 0.00 C ATOM 1323 C TYR A 121 -10.071 -10.828 0.402 1.00 0.00 C ATOM 1324 O TYR A 121 -9.148 -11.640 0.479 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.232 -9.191 -1.482 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.354 -9.066 -2.984 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.778 -10.007 -3.828 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.044 -8.006 -3.559 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.886 -9.897 -5.201 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.158 -7.888 -4.930 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.577 -8.836 -5.747 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.688 -8.721 -7.114 1.00 0.00 O ATOM 0 H TYR A 121 -12.626 -9.629 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.481 -11.321 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.789 -8.381 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.187 -9.065 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.236 -10.839 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.499 -7.261 -2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.432 -10.638 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.699 -7.058 -5.360 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.206 -7.919 -7.334 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.544 -10.169 1.455 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.993 -10.365 2.790 1.00 0.00 C ATOM 1344 C ARG A 122 -10.300 -11.768 3.305 1.00 0.00 C ATOM 1345 O ARG A 122 -9.419 -12.460 3.813 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.556 -9.321 3.756 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.771 -8.019 3.772 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.505 -6.936 4.547 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.144 -6.937 5.963 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.911 -6.421 6.917 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -12.075 -5.865 6.608 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -10.514 -6.460 8.182 1.00 0.00 N ATOM 0 H ARG A 122 -11.308 -9.495 1.409 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.911 -10.248 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.590 -9.108 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.569 -9.740 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.792 -8.189 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.600 -7.683 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.275 -5.962 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.580 -7.084 4.447 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.255 -7.357 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -12.383 -5.833 5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.662 -5.469 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.619 -6.886 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -11.103 -6.064 8.914 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.557 -12.180 3.170 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.981 -13.499 3.622 1.00 0.00 C ATOM 1368 C ARG A 123 -11.183 -14.596 2.924 1.00 0.00 C ATOM 1369 O ARG A 123 -10.980 -15.677 3.476 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.476 -13.695 3.360 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.366 -12.818 4.225 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.427 -13.326 5.657 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.891 -12.297 6.584 1.00 0.00 N ATOM 1374 CZ ARG A 123 -16.173 -12.035 6.809 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -17.115 -12.723 6.178 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -16.516 -11.083 7.667 1.00 0.00 N ATOM 0 H ARG A 123 -12.299 -11.619 2.751 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.795 -13.565 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.683 -13.485 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.732 -14.740 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.989 -11.795 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.371 -12.791 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.094 -14.187 5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.439 -13.670 5.962 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.192 -11.750 7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -16.855 -13.456 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -18.099 -12.519 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.795 -10.552 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.501 -10.882 7.839 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.734 -14.310 1.706 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.964 -15.282 0.952 1.00 0.00 C ATOM 1392 C GLY A 124 -10.656 -15.701 -0.330 1.00 0.00 C ATOM 1393 O GLY A 124 -10.406 -15.133 -1.393 1.00 0.00 O ATOM 0 H GLY A 124 -10.890 -13.423 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.987 -14.861 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.789 -16.162 1.571 1.00 0.00 H new ATOM 1397 N SER A 125 -11.528 -16.700 -0.231 1.00 0.00 N ATOM 1398 CA SER A 125 -12.254 -17.199 -1.393 1.00 0.00 C ATOM 1399 C SER A 125 -13.639 -17.700 -0.994 1.00 0.00 C ATOM 1400 O SER A 125 -13.818 -18.273 0.080 1.00 0.00 O ATOM 1401 CB SER A 125 -11.467 -18.324 -2.068 1.00 0.00 C ATOM 1402 OG SER A 125 -11.110 -19.328 -1.134 1.00 0.00 O ATOM 0 H SER A 125 -11.749 -17.179 0.642 1.00 0.00 H new ATOM 0 HA SER A 125 -12.373 -16.376 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.065 -18.762 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.568 -17.917 -2.530 1.00 0.00 H new ATOM 0 HG SER A 125 -10.610 -20.036 -1.590 1.00 0.00 H new ATOM 1408 N GLY A 126 -14.616 -17.480 -1.868 1.00 0.00 N ATOM 1409 CA GLY A 126 -15.972 -17.915 -1.590 1.00 0.00 C ATOM 1410 C GLY A 126 -16.889 -17.754 -2.786 1.00 0.00 C ATOM 1411 O GLY A 126 -17.405 -18.728 -3.335 1.00 0.00 O ATOM 0 H GLY A 126 -14.493 -17.008 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.959 -18.961 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -16.369 -17.343 -0.752 1.00 0.00 H new ATOM 1415 N PRO A 127 -17.104 -16.499 -3.208 1.00 0.00 N ATOM 1416 CA PRO A 127 -17.967 -16.184 -4.350 1.00 0.00 C ATOM 1417 C PRO A 127 -17.359 -16.629 -5.676 1.00 0.00 C ATOM 1418 O PRO A 127 -17.956 -16.444 -6.736 1.00 0.00 O ATOM 1419 CB PRO A 127 -18.081 -14.659 -4.299 1.00 0.00 C ATOM 1420 CG PRO A 127 -16.847 -14.210 -3.595 1.00 0.00 C ATOM 1421 CD PRO A 127 -16.522 -15.290 -2.601 1.00 0.00 C ATOM 0 HA PRO A 127 -18.926 -16.699 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -18.143 -14.233 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -18.978 -14.347 -3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -16.027 -14.067 -4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -17.008 -13.255 -3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -15.447 -15.391 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -16.958 -15.081 -1.624 1.00 0.00 H new ATOM 1429 N SER A 128 -16.168 -17.216 -5.608 1.00 0.00 N ATOM 1430 CA SER A 128 -15.478 -17.685 -6.804 1.00 0.00 C ATOM 1431 C SER A 128 -15.782 -19.157 -7.065 1.00 0.00 C ATOM 1432 O SER A 128 -15.660 -19.995 -6.173 1.00 0.00 O ATOM 1433 CB SER A 128 -13.968 -17.482 -6.659 1.00 0.00 C ATOM 1434 OG SER A 128 -13.584 -16.187 -7.087 1.00 0.00 O ATOM 0 H SER A 128 -15.661 -17.378 -4.738 1.00 0.00 H new ATOM 0 HA SER A 128 -15.836 -17.102 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 128 -13.677 -17.626 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 128 -13.439 -18.234 -7.245 1.00 0.00 H new ATOM 0 HG SER A 128 -12.615 -16.082 -6.983 1.00 0.00 H new ATOM 1440 N SER A 129 -16.178 -19.463 -8.297 1.00 0.00 N ATOM 1441 CA SER A 129 -16.504 -20.832 -8.676 1.00 0.00 C ATOM 1442 C SER A 129 -15.236 -21.642 -8.930 1.00 0.00 C ATOM 1443 O SER A 129 -14.246 -21.121 -9.441 1.00 0.00 O ATOM 1444 CB SER A 129 -17.387 -20.841 -9.926 1.00 0.00 C ATOM 1445 OG SER A 129 -18.631 -20.208 -9.676 1.00 0.00 O ATOM 0 H SER A 129 -16.281 -18.781 -9.049 1.00 0.00 H new ATOM 0 HA SER A 129 -17.049 -21.291 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.874 -20.332 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 129 -17.556 -21.868 -10.248 1.00 0.00 H new ATOM 0 HG SER A 129 -19.176 -20.225 -10.490 1.00 0.00 H new ATOM 1451 N GLY A 130 -15.276 -22.921 -8.569 1.00 0.00 N ATOM 1452 CA GLY A 130 -14.125 -23.783 -8.765 1.00 0.00 C ATOM 1453 C GLY A 130 -12.900 -23.293 -8.019 1.00 0.00 C ATOM 1454 O GLY A 130 -11.783 -23.736 -8.287 1.00 0.00 O ATOM 0 H GLY A 130 -16.085 -23.375 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -14.370 -24.792 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -13.898 -23.844 -9.829 1.00 0.00 H new TER 1458 GLY A 130