USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 834 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 16 ASN : amide:sc= -2.94! K(o=-0.31!,f=2.4) USER MOD Set 1.2: A 58 THR OG1 : rot -172:sc= 1.72 USER MOD Set 1.3: A 79 TYR OH : rot -130:sc= 0.911 USER MOD Set 2.1: A 59 SER OG : rot 83:sc= 0.301 USER MOD Set 2.2: A 97 THR OG1 : rot 132:sc= 0.662 USER MOD Set 3.1: A 42 ASN : amide:sc= 0.0989 X(o=0.46,f=0.3) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 141:sc= 0.364 (180deg=0.272) USER MOD Set 4.1: A 18 ASN : amide:sc= -4.09! K(o=-6.4!,f=-0.07) USER MOD Set 4.2: A 27 TYR OH : rot -113:sc= 0.401 USER MOD Set 4.3: A 51 GLN : amide:sc= -2.71! K(o=-6.4!,f=-0.28) USER MOD Set 4.4: A 56 SER OG : rot -120:sc= 0 USER MOD Set 5.1: A 1 MET CE :methyl -158:sc= 0 (180deg=-0.48) USER MOD Set 5.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.0987) USER MOD Single : A 2 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.68 K(o=-0.68,f=-3.2!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.0053) USER MOD Single : A 13 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.2) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 21 ASN : amide:sc= 0.212 K(o=0.21,f=-4.1!) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.0224 (180deg=-0.177) USER MOD Single : A 24 THR OG1 : rot -101:sc= 0.00777 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -19:sc= 0.312 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -39:sc= 0.00309 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 77:sc= 0.213 USER MOD Single : A 38 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.28) USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= 1.11 (180deg=-0.0901) USER MOD Single : A 47 TYR OH : rot 74:sc= 0.287 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= -1.16 (180deg=-3.31!) USER MOD Single : A 61 THR OG1 : rot -160:sc= 0.379 USER MOD Single : A 64 THR OG1 : rot -72:sc= -0.052 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0944) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= -0.79! (180deg=-0.791!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 88 ASN : amide:sc= -0.188 K(o=-0.19,f=-3.7!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 73:sc= 0.687 USER MOD Single : A 101 GLN : amide:sc= -0.046 K(o=-0.046,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.197 22.368 -9.411 1.00 1.01 N ATOM 2 CA MET A 1 -4.501 23.657 -9.282 1.00 11.32 C ATOM 3 C MET A 1 -5.431 24.784 -9.744 1.00 14.23 C ATOM 4 O MET A 1 -6.242 24.588 -10.660 1.00 74.12 O ATOM 5 CB MET A 1 -3.191 23.654 -10.116 1.00 4.44 C ATOM 6 CG MET A 1 -2.262 22.468 -9.822 1.00 12.33 C ATOM 7 SD MET A 1 -1.869 22.319 -8.064 1.00 3.34 S ATOM 8 CE MET A 1 -1.015 20.742 -8.031 1.00 40.25 C ATOM 0 H1 MET A 1 -4.657 21.631 -8.915 1.00 1.01 H new ATOM 0 H2 MET A 1 -6.146 22.442 -8.992 1.00 1.01 H new ATOM 0 H3 MET A 1 -5.281 22.118 -10.417 1.00 1.01 H new ATOM 0 HA MET A 1 -4.234 23.818 -8.238 1.00 11.32 H new ATOM 0 HB2 MET A 1 -3.448 23.646 -11.175 1.00 4.44 H new ATOM 0 HB3 MET A 1 -2.650 24.581 -9.926 1.00 4.44 H new ATOM 0 HG2 MET A 1 -2.733 21.547 -10.165 1.00 12.33 H new ATOM 0 HG3 MET A 1 -1.339 22.584 -10.389 1.00 12.33 H new ATOM 0 HE1 MET A 1 -1.055 20.327 -7.024 1.00 40.25 H new ATOM 0 HE2 MET A 1 -1.495 20.054 -8.726 1.00 40.25 H new ATOM 0 HE3 MET A 1 0.025 20.885 -8.323 1.00 40.25 H new ATOM 20 N HIS A 2 -5.322 25.959 -9.099 1.00 54.31 N ATOM 21 CA HIS A 2 -6.080 27.171 -9.499 1.00 73.44 C ATOM 22 C HIS A 2 -5.370 27.842 -10.693 1.00 45.33 C ATOM 23 O HIS A 2 -6.013 28.298 -11.639 1.00 74.31 O ATOM 24 CB HIS A 2 -6.227 28.163 -8.311 1.00 30.24 C ATOM 25 CG HIS A 2 -7.037 27.641 -7.141 1.00 22.43 C ATOM 26 ND1 HIS A 2 -8.101 28.327 -6.591 1.00 73.11 N ATOM 27 CD2 HIS A 2 -6.917 26.506 -6.405 1.00 21.33 C ATOM 28 CE1 HIS A 2 -8.590 27.639 -5.578 1.00 41.34 C ATOM 29 NE2 HIS A 2 -7.892 26.532 -5.449 1.00 32.31 N ATOM 0 H HIS A 2 -4.714 26.101 -8.293 1.00 54.31 H new ATOM 0 HA HIS A 2 -7.086 26.876 -9.797 1.00 73.44 H new ATOM 0 HB2 HIS A 2 -5.232 28.431 -7.955 1.00 30.24 H new ATOM 0 HB3 HIS A 2 -6.692 29.079 -8.676 1.00 30.24 H new ATOM 0 HD2 HIS A 2 -6.185 25.726 -6.549 1.00 21.33 H new ATOM 0 HE1 HIS A 2 -9.424 27.935 -4.958 1.00 41.34 H new ATOM 0 HE2 HIS A 2 -8.053 25.809 -4.748 1.00 32.31 H new ATOM 38 N HIS A 3 -4.036 27.889 -10.605 1.00 23.43 N ATOM 39 CA HIS A 3 -3.128 28.251 -11.710 1.00 43.53 C ATOM 40 C HIS A 3 -2.411 26.979 -12.174 1.00 42.14 C ATOM 41 O HIS A 3 -1.787 26.299 -11.355 1.00 52.41 O ATOM 42 CB HIS A 3 -2.103 29.320 -11.226 1.00 73.32 C ATOM 43 CG HIS A 3 -0.882 29.489 -12.105 1.00 0.31 C ATOM 44 ND1 HIS A 3 -0.913 30.122 -13.325 1.00 32.44 N ATOM 45 CD2 HIS A 3 0.403 29.093 -11.929 1.00 1.34 C ATOM 46 CE1 HIS A 3 0.289 30.105 -13.859 1.00 63.22 C ATOM 47 NE2 HIS A 3 1.104 29.490 -13.030 1.00 74.24 N ATOM 0 H HIS A 3 -3.540 27.671 -9.741 1.00 23.43 H new ATOM 0 HA HIS A 3 -3.689 28.679 -12.541 1.00 43.53 H new ATOM 0 HB2 HIS A 3 -2.613 30.281 -11.151 1.00 73.32 H new ATOM 0 HB3 HIS A 3 -1.773 29.055 -10.221 1.00 73.32 H new ATOM 0 HD2 HIS A 3 0.798 28.562 -11.076 1.00 1.34 H new ATOM 0 HE1 HIS A 3 0.561 30.525 -14.816 1.00 63.22 H new ATOM 0 HE2 HIS A 3 2.100 29.335 -13.185 1.00 74.24 H new ATOM 56 N HIS A 4 -2.496 26.659 -13.475 1.00 52.34 N ATOM 57 CA HIS A 4 -1.811 25.482 -14.035 1.00 74.04 C ATOM 58 C HIS A 4 -0.277 25.695 -14.018 1.00 44.34 C ATOM 59 O HIS A 4 0.223 26.748 -14.432 1.00 62.24 O ATOM 60 CB HIS A 4 -2.334 25.122 -15.462 1.00 13.54 C ATOM 61 CG HIS A 4 -2.149 26.168 -16.540 1.00 43.22 C ATOM 62 ND1 HIS A 4 -3.178 26.951 -17.016 1.00 44.14 N ATOM 63 CD2 HIS A 4 -1.065 26.510 -17.276 1.00 44.34 C ATOM 64 CE1 HIS A 4 -2.733 27.718 -17.988 1.00 0.50 C ATOM 65 NE2 HIS A 4 -1.457 27.466 -18.164 1.00 71.13 N ATOM 0 H HIS A 4 -3.030 27.197 -14.157 1.00 52.34 H new ATOM 0 HA HIS A 4 -2.042 24.625 -13.402 1.00 74.04 H new ATOM 0 HB2 HIS A 4 -1.836 24.208 -15.786 1.00 13.54 H new ATOM 0 HB3 HIS A 4 -3.398 24.896 -15.387 1.00 13.54 H new ATOM 0 HD2 HIS A 4 -0.071 26.100 -17.177 1.00 44.34 H new ATOM 0 HE1 HIS A 4 -3.318 28.434 -18.546 1.00 0.50 H new ATOM 0 HE2 HIS A 4 -0.855 27.914 -18.855 1.00 71.13 H new ATOM 74 N HIS A 5 0.443 24.696 -13.492 1.00 24.31 N ATOM 75 CA HIS A 5 1.909 24.686 -13.404 1.00 3.03 C ATOM 76 C HIS A 5 2.405 23.234 -13.468 1.00 33.35 C ATOM 77 O HIS A 5 1.881 22.371 -12.754 1.00 70.10 O ATOM 78 CB HIS A 5 2.394 25.387 -12.098 1.00 15.03 C ATOM 79 CG HIS A 5 1.801 24.840 -10.814 1.00 24.15 C ATOM 80 ND1 HIS A 5 2.175 23.633 -10.260 1.00 5.42 N ATOM 81 CD2 HIS A 5 0.869 25.350 -9.974 1.00 53.13 C ATOM 82 CE1 HIS A 5 1.503 23.433 -9.148 1.00 53.32 C ATOM 83 NE2 HIS A 5 0.704 24.459 -8.948 1.00 45.43 N ATOM 0 H HIS A 5 0.014 23.854 -13.108 1.00 24.31 H new ATOM 0 HA HIS A 5 2.324 25.244 -14.243 1.00 3.03 H new ATOM 0 HB2 HIS A 5 3.479 25.305 -12.042 1.00 15.03 H new ATOM 0 HB3 HIS A 5 2.158 26.449 -12.165 1.00 15.03 H new ATOM 0 HD2 HIS A 5 0.350 26.290 -10.092 1.00 53.13 H new ATOM 0 HE1 HIS A 5 1.592 22.570 -8.505 1.00 53.32 H new ATOM 0 HE2 HIS A 5 0.067 24.572 -8.159 1.00 45.43 H new ATOM 92 N HIS A 6 3.400 22.967 -14.332 1.00 32.12 N ATOM 93 CA HIS A 6 4.009 21.632 -14.466 1.00 34.51 C ATOM 94 C HIS A 6 5.000 21.411 -13.294 1.00 33.24 C ATOM 95 O HIS A 6 6.211 21.609 -13.429 1.00 41.02 O ATOM 96 CB HIS A 6 4.693 21.491 -15.856 1.00 71.43 C ATOM 97 CG HIS A 6 5.219 20.108 -16.178 1.00 25.32 C ATOM 98 ND1 HIS A 6 4.444 19.128 -16.757 1.00 4.44 N ATOM 99 CD2 HIS A 6 6.448 19.553 -16.018 1.00 30.21 C ATOM 100 CE1 HIS A 6 5.167 18.044 -16.944 1.00 34.54 C ATOM 101 NE2 HIS A 6 6.384 18.275 -16.502 1.00 11.05 N ATOM 0 H HIS A 6 3.803 23.667 -14.955 1.00 32.12 H new ATOM 0 HA HIS A 6 3.243 20.858 -14.412 1.00 34.51 H new ATOM 0 HB2 HIS A 6 3.977 21.779 -16.626 1.00 71.43 H new ATOM 0 HB3 HIS A 6 5.520 22.199 -15.910 1.00 71.43 H new ATOM 0 HD2 HIS A 6 7.315 20.032 -15.588 1.00 30.21 H new ATOM 0 HE1 HIS A 6 4.820 17.122 -17.385 1.00 34.54 H new ATOM 0 HE2 HIS A 6 7.156 17.608 -16.518 1.00 11.05 H new ATOM 110 N HIS A 7 4.425 21.073 -12.123 1.00 54.30 N ATOM 111 CA HIS A 7 5.149 20.814 -10.863 1.00 55.50 C ATOM 112 C HIS A 7 4.319 19.829 -10.025 1.00 33.13 C ATOM 113 O HIS A 7 3.138 20.082 -9.763 1.00 1.42 O ATOM 114 CB HIS A 7 5.392 22.127 -10.048 1.00 45.14 C ATOM 115 CG HIS A 7 6.583 22.943 -10.484 1.00 41.24 C ATOM 116 ND1 HIS A 7 6.558 24.312 -10.641 1.00 60.00 N ATOM 117 CD2 HIS A 7 7.856 22.567 -10.737 1.00 0.33 C ATOM 118 CE1 HIS A 7 7.767 24.732 -10.967 1.00 73.14 C ATOM 119 NE2 HIS A 7 8.565 23.695 -11.033 1.00 54.12 N ATOM 0 H HIS A 7 3.415 20.970 -12.025 1.00 54.30 H new ATOM 0 HA HIS A 7 6.127 20.396 -11.101 1.00 55.50 H new ATOM 0 HB2 HIS A 7 4.500 22.750 -10.118 1.00 45.14 H new ATOM 0 HB3 HIS A 7 5.516 21.866 -8.997 1.00 45.14 H new ATOM 0 HD2 HIS A 7 8.242 21.559 -10.710 1.00 0.33 H new ATOM 0 HE1 HIS A 7 8.050 25.758 -11.149 1.00 73.14 H new ATOM 0 HE2 HIS A 7 9.557 23.726 -11.268 1.00 54.12 H new ATOM 128 N ARG A 8 4.962 18.733 -9.593 1.00 50.15 N ATOM 129 CA ARG A 8 4.319 17.652 -8.829 1.00 62.41 C ATOM 130 C ARG A 8 4.143 18.069 -7.357 1.00 24.42 C ATOM 131 O ARG A 8 5.129 18.379 -6.678 1.00 11.21 O ATOM 132 CB ARG A 8 5.188 16.372 -8.928 1.00 63.14 C ATOM 133 CG ARG A 8 4.660 15.163 -8.129 1.00 12.13 C ATOM 134 CD ARG A 8 5.428 13.866 -8.414 1.00 42.23 C ATOM 135 NE ARG A 8 5.328 13.459 -9.826 1.00 23.12 N ATOM 136 CZ ARG A 8 5.824 12.326 -10.348 1.00 13.23 C ATOM 137 NH1 ARG A 8 6.472 11.441 -9.583 1.00 30.51 N ATOM 138 NH2 ARG A 8 5.681 12.083 -11.639 1.00 3.14 N ATOM 0 H ARG A 8 5.954 18.570 -9.766 1.00 50.15 H new ATOM 0 HA ARG A 8 3.332 17.451 -9.246 1.00 62.41 H new ATOM 0 HB2 ARG A 8 5.271 16.087 -9.977 1.00 63.14 H new ATOM 0 HB3 ARG A 8 6.194 16.606 -8.581 1.00 63.14 H new ATOM 0 HG2 ARG A 8 4.720 15.386 -7.064 1.00 12.13 H new ATOM 0 HG3 ARG A 8 3.606 15.013 -8.365 1.00 12.13 H new ATOM 0 HD2 ARG A 8 6.477 14.001 -8.150 1.00 42.23 H new ATOM 0 HD3 ARG A 8 5.040 13.069 -7.780 1.00 42.23 H new ATOM 0 HE ARG A 8 4.841 14.091 -10.461 1.00 23.12 H new ATOM 0 HH11 ARG A 8 6.596 11.622 -8.587 1.00 30.51 H new ATOM 0 HH12 ARG A 8 6.843 10.585 -9.996 1.00 30.51 H new ATOM 0 HH21 ARG A 8 5.196 12.755 -12.234 1.00 3.14 H new ATOM 0 HH22 ARG A 8 6.056 11.224 -12.041 1.00 3.14 H new ATOM 152 N SER A 9 2.880 18.082 -6.880 1.00 31.51 N ATOM 153 CA SER A 9 2.547 18.413 -5.477 1.00 51.13 C ATOM 154 C SER A 9 2.758 17.196 -4.548 1.00 35.52 C ATOM 155 O SER A 9 2.894 17.363 -3.329 1.00 61.13 O ATOM 156 CB SER A 9 1.086 18.925 -5.376 1.00 13.41 C ATOM 157 OG SER A 9 0.158 17.956 -5.832 1.00 1.21 O ATOM 0 H SER A 9 2.065 17.864 -7.454 1.00 31.51 H new ATOM 0 HA SER A 9 3.221 19.204 -5.149 1.00 51.13 H new ATOM 0 HB2 SER A 9 0.862 19.185 -4.341 1.00 13.41 H new ATOM 0 HB3 SER A 9 0.978 19.837 -5.964 1.00 13.41 H new ATOM 0 HG SER A 9 -0.752 18.311 -5.752 1.00 1.21 H new ATOM 163 N GLY A 10 2.754 15.976 -5.129 1.00 43.33 N ATOM 164 CA GLY A 10 2.999 14.743 -4.373 1.00 43.43 C ATOM 165 C GLY A 10 2.123 13.604 -4.867 1.00 20.41 C ATOM 166 O GLY A 10 1.224 13.140 -4.152 1.00 44.22 O ATOM 0 H GLY A 10 2.582 15.826 -6.123 1.00 43.33 H new ATOM 0 HA2 GLY A 10 4.048 14.462 -4.463 1.00 43.43 H new ATOM 0 HA3 GLY A 10 2.806 14.919 -3.315 1.00 43.43 H new ATOM 170 N ASP A 11 2.378 13.176 -6.119 1.00 32.22 N ATOM 171 CA ASP A 11 1.635 12.085 -6.774 1.00 72.11 C ATOM 172 C ASP A 11 2.019 10.754 -6.137 1.00 13.14 C ATOM 173 O ASP A 11 3.202 10.417 -6.031 1.00 70.44 O ATOM 174 CB ASP A 11 1.905 12.067 -8.306 1.00 41.14 C ATOM 175 CG ASP A 11 1.291 13.278 -9.028 1.00 32.34 C ATOM 176 OD1 ASP A 11 1.460 14.420 -8.546 1.00 42.34 O ATOM 177 OD2 ASP A 11 0.643 13.105 -10.081 1.00 64.33 O ATOM 0 H ASP A 11 3.108 13.580 -6.705 1.00 32.22 H new ATOM 0 HA ASP A 11 0.567 12.251 -6.633 1.00 72.11 H new ATOM 0 HB2 ASP A 11 2.981 12.051 -8.482 1.00 41.14 H new ATOM 0 HB3 ASP A 11 1.499 11.150 -8.732 1.00 41.14 H new ATOM 182 N ILE A 12 0.997 10.024 -5.711 1.00 34.15 N ATOM 183 CA ILE A 12 1.139 8.822 -4.897 1.00 42.12 C ATOM 184 C ILE A 12 1.546 7.626 -5.777 1.00 20.12 C ATOM 185 O ILE A 12 0.718 7.084 -6.523 1.00 23.44 O ATOM 186 CB ILE A 12 -0.224 8.510 -4.176 1.00 73.44 C ATOM 187 CG1 ILE A 12 -0.827 9.800 -3.514 1.00 11.21 C ATOM 188 CG2 ILE A 12 -0.047 7.383 -3.138 1.00 43.43 C ATOM 189 CD1 ILE A 12 -2.311 9.707 -3.171 1.00 33.43 C ATOM 0 H ILE A 12 0.027 10.254 -5.925 1.00 34.15 H new ATOM 0 HA ILE A 12 1.916 8.990 -4.151 1.00 42.12 H new ATOM 0 HB ILE A 12 -0.932 8.167 -4.930 1.00 73.44 H new ATOM 0 HG12 ILE A 12 -0.270 10.018 -2.603 1.00 11.21 H new ATOM 0 HG13 ILE A 12 -0.676 10.643 -4.189 1.00 11.21 H new ATOM 0 HG21 ILE A 12 -1.002 7.183 -2.651 1.00 43.43 H new ATOM 0 HG22 ILE A 12 0.301 6.479 -3.638 1.00 43.43 H new ATOM 0 HG23 ILE A 12 0.685 7.689 -2.390 1.00 43.43 H new ATOM 0 HD11 ILE A 12 -2.639 10.643 -2.719 1.00 33.43 H new ATOM 0 HD12 ILE A 12 -2.884 9.523 -4.080 1.00 33.43 H new ATOM 0 HD13 ILE A 12 -2.472 8.889 -2.469 1.00 33.43 H new ATOM 201 N GLN A 13 2.825 7.244 -5.703 1.00 71.11 N ATOM 202 CA GLN A 13 3.338 6.053 -6.376 1.00 35.23 C ATOM 203 C GLN A 13 3.285 4.862 -5.402 1.00 45.10 C ATOM 204 O GLN A 13 3.981 4.846 -4.381 1.00 74.13 O ATOM 205 CB GLN A 13 4.788 6.283 -6.877 1.00 42.13 C ATOM 206 CG GLN A 13 5.397 5.070 -7.627 1.00 53.15 C ATOM 207 CD GLN A 13 6.850 5.274 -8.062 1.00 12.24 C ATOM 208 OE1 GLN A 13 7.281 6.390 -8.348 1.00 74.01 O ATOM 209 NE2 GLN A 13 7.620 4.195 -8.100 1.00 23.30 N ATOM 0 H GLN A 13 3.532 7.754 -5.174 1.00 71.11 H new ATOM 0 HA GLN A 13 2.718 5.839 -7.246 1.00 35.23 H new ATOM 0 HB2 GLN A 13 4.800 7.149 -7.539 1.00 42.13 H new ATOM 0 HB3 GLN A 13 5.422 6.525 -6.024 1.00 42.13 H new ATOM 0 HG2 GLN A 13 5.341 4.192 -6.983 1.00 53.15 H new ATOM 0 HG3 GLN A 13 4.791 4.859 -8.508 1.00 53.15 H new ATOM 0 HE21 GLN A 13 7.233 3.283 -7.857 1.00 23.30 H new ATOM 0 HE22 GLN A 13 8.600 4.277 -8.372 1.00 23.30 H new ATOM 218 N VAL A 14 2.414 3.905 -5.721 1.00 34.23 N ATOM 219 CA VAL A 14 2.327 2.614 -5.037 1.00 72.03 C ATOM 220 C VAL A 14 3.235 1.645 -5.795 1.00 54.41 C ATOM 221 O VAL A 14 2.899 1.225 -6.900 1.00 30.04 O ATOM 222 CB VAL A 14 0.844 2.074 -5.071 1.00 51.11 C ATOM 223 CG1 VAL A 14 0.690 0.758 -4.270 1.00 72.13 C ATOM 224 CG2 VAL A 14 -0.135 3.151 -4.574 1.00 32.33 C ATOM 0 H VAL A 14 1.736 4.007 -6.476 1.00 34.23 H new ATOM 0 HA VAL A 14 2.630 2.713 -3.995 1.00 72.03 H new ATOM 0 HB VAL A 14 0.599 1.843 -6.108 1.00 51.11 H new ATOM 0 HG11 VAL A 14 -0.345 0.421 -4.319 1.00 72.13 H new ATOM 0 HG12 VAL A 14 1.341 -0.006 -4.696 1.00 72.13 H new ATOM 0 HG13 VAL A 14 0.966 0.931 -3.230 1.00 72.13 H new ATOM 0 HG21 VAL A 14 -1.152 2.760 -4.605 1.00 32.33 H new ATOM 0 HG22 VAL A 14 0.117 3.427 -3.550 1.00 32.33 H new ATOM 0 HG23 VAL A 14 -0.065 4.030 -5.215 1.00 32.33 H new ATOM 234 N GLN A 15 4.394 1.326 -5.217 1.00 12.33 N ATOM 235 CA GLN A 15 5.348 0.389 -5.814 1.00 73.04 C ATOM 236 C GLN A 15 5.306 -0.920 -5.025 1.00 55.41 C ATOM 237 O GLN A 15 5.806 -0.987 -3.899 1.00 61.41 O ATOM 238 CB GLN A 15 6.772 1.014 -5.805 1.00 71.02 C ATOM 239 CG GLN A 15 7.887 0.101 -6.350 1.00 35.50 C ATOM 240 CD GLN A 15 9.247 0.796 -6.429 1.00 71.24 C ATOM 241 OE1 GLN A 15 10.030 0.776 -5.479 1.00 32.12 O ATOM 242 NE2 GLN A 15 9.539 1.420 -7.564 1.00 73.34 N ATOM 0 H GLN A 15 4.698 1.710 -4.322 1.00 12.33 H new ATOM 0 HA GLN A 15 5.084 0.182 -6.851 1.00 73.04 H new ATOM 0 HB2 GLN A 15 6.754 1.931 -6.394 1.00 71.02 H new ATOM 0 HB3 GLN A 15 7.022 1.297 -4.782 1.00 71.02 H new ATOM 0 HG2 GLN A 15 7.972 -0.779 -5.712 1.00 35.50 H new ATOM 0 HG3 GLN A 15 7.607 -0.251 -7.343 1.00 35.50 H new ATOM 0 HE21 GLN A 15 8.869 1.419 -8.333 1.00 73.34 H new ATOM 0 HE22 GLN A 15 10.433 1.900 -7.666 1.00 73.34 H new ATOM 251 N ASN A 16 4.695 -1.952 -5.616 1.00 3.33 N ATOM 252 CA ASN A 16 4.649 -3.295 -5.026 1.00 53.13 C ATOM 253 C ASN A 16 5.619 -4.193 -5.790 1.00 34.24 C ATOM 254 O ASN A 16 5.403 -4.471 -6.964 1.00 74.14 O ATOM 255 CB ASN A 16 3.211 -3.866 -5.073 1.00 21.14 C ATOM 256 CG ASN A 16 3.117 -5.322 -4.587 1.00 51.51 C ATOM 257 OD1 ASN A 16 3.181 -6.272 -5.372 1.00 11.35 O ATOM 258 ND2 ASN A 16 2.992 -5.506 -3.286 1.00 5.24 N ATOM 0 H ASN A 16 4.219 -1.881 -6.515 1.00 3.33 H new ATOM 0 HA ASN A 16 4.944 -3.248 -3.978 1.00 53.13 H new ATOM 0 HB2 ASN A 16 2.560 -3.243 -4.459 1.00 21.14 H new ATOM 0 HB3 ASN A 16 2.838 -3.807 -6.095 1.00 21.14 H new ATOM 0 HD21 ASN A 16 2.946 -6.452 -2.907 1.00 5.24 H new ATOM 0 HD22 ASN A 16 2.941 -4.702 -2.660 1.00 5.24 H new ATOM 265 N ASN A 17 6.688 -4.612 -5.103 1.00 23.41 N ATOM 266 CA ASN A 17 7.679 -5.563 -5.608 1.00 21.51 C ATOM 267 C ASN A 17 7.397 -6.918 -4.940 1.00 14.23 C ATOM 268 O ASN A 17 7.569 -7.067 -3.722 1.00 13.21 O ATOM 269 CB ASN A 17 9.109 -5.053 -5.270 1.00 72.43 C ATOM 270 CG ASN A 17 10.217 -6.010 -5.723 1.00 62.43 C ATOM 271 OD1 ASN A 17 10.598 -6.928 -4.996 1.00 4.53 O ATOM 272 ND2 ASN A 17 10.742 -5.805 -6.924 1.00 4.42 N ATOM 0 H ASN A 17 6.891 -4.290 -4.157 1.00 23.41 H new ATOM 0 HA ASN A 17 7.615 -5.667 -6.691 1.00 21.51 H new ATOM 0 HB2 ASN A 17 9.262 -4.082 -5.741 1.00 72.43 H new ATOM 0 HB3 ASN A 17 9.188 -4.901 -4.194 1.00 72.43 H new ATOM 0 HD21 ASN A 17 11.482 -6.416 -7.268 1.00 4.42 H new ATOM 0 HD22 ASN A 17 10.405 -5.036 -7.503 1.00 4.42 H new ATOM 279 N ASN A 18 6.936 -7.890 -5.737 1.00 63.11 N ATOM 280 CA ASN A 18 6.519 -9.214 -5.246 1.00 44.03 C ATOM 281 C ASN A 18 7.542 -10.276 -5.691 1.00 12.33 C ATOM 282 O ASN A 18 7.976 -10.280 -6.849 1.00 23.23 O ATOM 283 CB ASN A 18 5.092 -9.532 -5.765 1.00 3.15 C ATOM 284 CG ASN A 18 4.531 -10.871 -5.273 1.00 71.01 C ATOM 285 OD1 ASN A 18 4.918 -11.399 -4.229 1.00 52.12 O ATOM 286 ND2 ASN A 18 3.569 -11.396 -6.002 1.00 41.25 N ATOM 0 H ASN A 18 6.840 -7.782 -6.747 1.00 63.11 H new ATOM 0 HA ASN A 18 6.488 -9.219 -4.156 1.00 44.03 H new ATOM 0 HB2 ASN A 18 4.418 -8.733 -5.456 1.00 3.15 H new ATOM 0 HB3 ASN A 18 5.106 -9.534 -6.855 1.00 3.15 H new ATOM 0 HD21 ASN A 18 3.122 -12.264 -5.707 1.00 41.25 H new ATOM 0 HD22 ASN A 18 3.271 -10.935 -6.862 1.00 41.25 H new ATOM 293 N THR A 19 7.912 -11.170 -4.757 1.00 52.44 N ATOM 294 CA THR A 19 8.901 -12.232 -4.984 1.00 51.25 C ATOM 295 C THR A 19 8.172 -13.531 -5.382 1.00 32.31 C ATOM 296 O THR A 19 7.450 -14.124 -4.576 1.00 55.13 O ATOM 297 CB THR A 19 9.781 -12.449 -3.697 1.00 33.32 C ATOM 298 OG1 THR A 19 8.934 -12.611 -2.541 1.00 71.44 O ATOM 299 CG2 THR A 19 10.750 -11.271 -3.457 1.00 61.31 C ATOM 0 H THR A 19 7.526 -11.173 -3.813 1.00 52.44 H new ATOM 0 HA THR A 19 9.568 -11.940 -5.795 1.00 51.25 H new ATOM 0 HB THR A 19 10.374 -13.350 -3.856 1.00 33.32 H new ATOM 0 HG1 THR A 19 9.489 -12.747 -1.745 1.00 71.44 H new ATOM 0 HG21 THR A 19 11.338 -11.461 -2.559 1.00 61.31 H new ATOM 0 HG22 THR A 19 11.417 -11.168 -4.313 1.00 61.31 H new ATOM 0 HG23 THR A 19 10.180 -10.351 -3.329 1.00 61.31 H new ATOM 307 N CYS A 20 8.362 -13.946 -6.646 1.00 12.42 N ATOM 308 CA CYS A 20 7.644 -15.080 -7.262 1.00 33.33 C ATOM 309 C CYS A 20 8.626 -15.983 -8.027 1.00 61.20 C ATOM 310 O CYS A 20 9.785 -15.610 -8.225 1.00 32.32 O ATOM 311 CB CYS A 20 6.573 -14.532 -8.230 1.00 70.53 C ATOM 312 SG CYS A 20 5.366 -13.385 -7.466 1.00 41.44 S ATOM 0 H CYS A 20 9.026 -13.499 -7.278 1.00 12.42 H new ATOM 0 HA CYS A 20 7.168 -15.672 -6.480 1.00 33.33 H new ATOM 0 HB2 CYS A 20 7.073 -14.018 -9.050 1.00 70.53 H new ATOM 0 HB3 CYS A 20 6.031 -15.372 -8.664 1.00 70.53 H new ATOM 317 N ASN A 21 8.151 -17.175 -8.442 1.00 2.13 N ATOM 318 CA ASN A 21 8.910 -18.096 -9.328 1.00 24.55 C ATOM 319 C ASN A 21 8.559 -17.840 -10.806 1.00 21.14 C ATOM 320 O ASN A 21 9.419 -17.994 -11.683 1.00 21.02 O ATOM 321 CB ASN A 21 8.648 -19.594 -8.965 1.00 73.31 C ATOM 322 CG ASN A 21 7.185 -20.044 -9.120 1.00 60.12 C ATOM 323 OD1 ASN A 21 6.253 -19.275 -8.893 1.00 2.41 O ATOM 324 ND2 ASN A 21 6.971 -21.297 -9.491 1.00 31.32 N ATOM 0 H ASN A 21 7.233 -17.530 -8.176 1.00 2.13 H new ATOM 0 HA ASN A 21 9.970 -17.894 -9.175 1.00 24.55 H new ATOM 0 HB2 ASN A 21 9.276 -20.222 -9.596 1.00 73.31 H new ATOM 0 HB3 ASN A 21 8.960 -19.764 -7.934 1.00 73.31 H new ATOM 0 HD21 ASN A 21 6.017 -21.643 -9.594 1.00 31.32 H new ATOM 0 HD22 ASN A 21 7.760 -21.917 -9.674 1.00 31.32 H new ATOM 331 N GLY A 22 7.291 -17.440 -11.064 1.00 30.30 N ATOM 332 CA GLY A 22 6.773 -17.256 -12.429 1.00 24.20 C ATOM 333 C GLY A 22 7.277 -15.981 -13.104 1.00 22.14 C ATOM 334 O GLY A 22 8.483 -15.726 -13.123 1.00 63.35 O ATOM 0 H GLY A 22 6.608 -17.239 -10.334 1.00 30.30 H new ATOM 0 HA2 GLY A 22 7.057 -18.116 -13.036 1.00 24.20 H new ATOM 0 HA3 GLY A 22 5.684 -17.234 -12.396 1.00 24.20 H new ATOM 338 N LYS A 23 6.336 -15.174 -13.656 1.00 43.44 N ATOM 339 CA LYS A 23 6.649 -13.914 -14.382 1.00 20.54 C ATOM 340 C LYS A 23 7.415 -12.933 -13.474 1.00 61.24 C ATOM 341 O LYS A 23 8.287 -12.189 -13.950 1.00 5.15 O ATOM 342 CB LYS A 23 5.347 -13.227 -14.895 1.00 11.01 C ATOM 343 CG LYS A 23 4.507 -14.083 -15.862 1.00 45.45 C ATOM 344 CD LYS A 23 3.180 -13.395 -16.263 1.00 12.23 C ATOM 345 CE LYS A 23 2.296 -14.281 -17.159 1.00 43.41 C ATOM 346 NZ LYS A 23 1.923 -15.559 -16.493 1.00 2.14 N ATOM 0 H LYS A 23 5.338 -15.378 -13.611 1.00 43.44 H new ATOM 0 HA LYS A 23 7.274 -14.177 -15.235 1.00 20.54 H new ATOM 0 HB2 LYS A 23 4.730 -12.961 -14.037 1.00 11.01 H new ATOM 0 HB3 LYS A 23 5.616 -12.296 -15.395 1.00 11.01 H new ATOM 0 HG2 LYS A 23 5.091 -14.290 -16.759 1.00 45.45 H new ATOM 0 HG3 LYS A 23 4.288 -15.043 -15.395 1.00 45.45 H new ATOM 0 HD2 LYS A 23 2.626 -13.130 -15.362 1.00 12.23 H new ATOM 0 HD3 LYS A 23 3.402 -12.465 -16.786 1.00 12.23 H new ATOM 0 HE2 LYS A 23 1.391 -13.735 -17.427 1.00 43.41 H new ATOM 0 HE3 LYS A 23 2.824 -14.498 -18.087 1.00 43.41 H new ATOM 0 HZ1 LYS A 23 1.173 -16.029 -17.039 1.00 2.14 H new ATOM 0 HZ2 LYS A 23 2.755 -16.180 -16.443 1.00 2.14 H new ATOM 0 HZ3 LYS A 23 1.580 -15.362 -15.531 1.00 2.14 H new ATOM 360 N THR A 24 7.058 -12.969 -12.164 1.00 23.21 N ATOM 361 CA THR A 24 7.598 -12.078 -11.119 1.00 0.21 C ATOM 362 C THR A 24 7.262 -10.606 -11.455 1.00 2.10 C ATOM 363 O THR A 24 7.999 -9.674 -11.112 1.00 34.42 O ATOM 364 CB THR A 24 9.138 -12.337 -10.904 1.00 60.54 C ATOM 365 OG1 THR A 24 9.369 -13.755 -10.895 1.00 33.23 O ATOM 366 CG2 THR A 24 9.678 -11.750 -9.580 1.00 3.43 C ATOM 0 H THR A 24 6.373 -13.633 -11.804 1.00 23.21 H new ATOM 0 HA THR A 24 7.121 -12.300 -10.164 1.00 0.21 H new ATOM 0 HB THR A 24 9.662 -11.840 -11.720 1.00 60.54 H new ATOM 0 HG1 THR A 24 9.461 -14.066 -9.970 1.00 33.23 H new ATOM 0 HG21 THR A 24 10.743 -11.964 -9.495 1.00 3.43 H new ATOM 0 HG22 THR A 24 9.522 -10.671 -9.570 1.00 3.43 H new ATOM 0 HG23 THR A 24 9.149 -12.200 -8.740 1.00 3.43 H new ATOM 374 N PHE A 25 6.103 -10.424 -12.125 1.00 73.52 N ATOM 375 CA PHE A 25 5.618 -9.108 -12.539 1.00 43.42 C ATOM 376 C PHE A 25 5.116 -8.337 -11.306 1.00 12.42 C ATOM 377 O PHE A 25 4.149 -8.745 -10.643 1.00 63.45 O ATOM 378 CB PHE A 25 4.510 -9.248 -13.615 1.00 72.43 C ATOM 379 CG PHE A 25 3.979 -7.910 -14.147 1.00 15.10 C ATOM 380 CD1 PHE A 25 4.744 -7.140 -15.025 1.00 24.22 C ATOM 381 CD2 PHE A 25 2.728 -7.419 -13.766 1.00 20.31 C ATOM 382 CE1 PHE A 25 4.276 -5.928 -15.501 1.00 4.51 C ATOM 383 CE2 PHE A 25 2.263 -6.206 -14.242 1.00 42.44 C ATOM 384 CZ PHE A 25 3.037 -5.462 -15.109 1.00 11.42 C ATOM 0 H PHE A 25 5.485 -11.191 -12.389 1.00 73.52 H new ATOM 0 HA PHE A 25 6.435 -8.544 -12.989 1.00 43.42 H new ATOM 0 HB2 PHE A 25 4.901 -9.829 -14.450 1.00 72.43 H new ATOM 0 HB3 PHE A 25 3.679 -9.814 -13.194 1.00 72.43 H new ATOM 0 HD1 PHE A 25 5.715 -7.495 -15.337 1.00 24.22 H new ATOM 0 HD2 PHE A 25 2.114 -7.995 -13.089 1.00 20.31 H new ATOM 0 HE1 PHE A 25 4.881 -5.346 -16.180 1.00 4.51 H new ATOM 0 HE2 PHE A 25 1.294 -5.841 -13.935 1.00 42.44 H new ATOM 0 HZ PHE A 25 2.674 -4.515 -15.481 1.00 11.42 H new ATOM 394 N ASP A 26 5.836 -7.258 -10.990 1.00 63.45 N ATOM 395 CA ASP A 26 5.471 -6.309 -9.932 1.00 31.52 C ATOM 396 C ASP A 26 4.267 -5.465 -10.381 1.00 61.32 C ATOM 397 O ASP A 26 3.938 -5.425 -11.573 1.00 20.51 O ATOM 398 CB ASP A 26 6.688 -5.404 -9.612 1.00 4.10 C ATOM 399 CG ASP A 26 7.130 -4.534 -10.804 1.00 50.43 C ATOM 400 OD1 ASP A 26 7.805 -5.065 -11.711 1.00 75.55 O ATOM 401 OD2 ASP A 26 6.791 -3.332 -10.849 1.00 55.25 O ATOM 0 H ASP A 26 6.703 -7.014 -11.469 1.00 63.45 H new ATOM 0 HA ASP A 26 5.191 -6.853 -9.030 1.00 31.52 H new ATOM 0 HB2 ASP A 26 6.440 -4.757 -8.771 1.00 4.10 H new ATOM 0 HB3 ASP A 26 7.524 -6.029 -9.297 1.00 4.10 H new ATOM 406 N TYR A 27 3.620 -4.784 -9.429 1.00 34.25 N ATOM 407 CA TYR A 27 2.418 -3.971 -9.692 1.00 71.42 C ATOM 408 C TYR A 27 2.632 -2.553 -9.150 1.00 11.15 C ATOM 409 O TYR A 27 2.725 -2.352 -7.935 1.00 73.04 O ATOM 410 CB TYR A 27 1.172 -4.624 -9.042 1.00 52.42 C ATOM 411 CG TYR A 27 0.984 -6.104 -9.413 1.00 32.33 C ATOM 412 CD1 TYR A 27 0.487 -6.476 -10.669 1.00 33.04 C ATOM 413 CD2 TYR A 27 1.344 -7.128 -8.525 1.00 32.11 C ATOM 414 CE1 TYR A 27 0.356 -7.805 -11.014 1.00 61.05 C ATOM 415 CE2 TYR A 27 1.206 -8.455 -8.870 1.00 63.51 C ATOM 416 CZ TYR A 27 0.717 -8.789 -10.114 1.00 61.32 C ATOM 417 OH TYR A 27 0.581 -10.113 -10.463 1.00 72.32 O ATOM 0 H TYR A 27 3.912 -4.778 -8.452 1.00 34.25 H new ATOM 0 HA TYR A 27 2.248 -3.917 -10.767 1.00 71.42 H new ATOM 0 HB2 TYR A 27 1.252 -4.538 -7.958 1.00 52.42 H new ATOM 0 HB3 TYR A 27 0.284 -4.068 -9.342 1.00 52.42 H new ATOM 0 HD1 TYR A 27 0.203 -5.712 -11.377 1.00 33.04 H new ATOM 0 HD2 TYR A 27 1.737 -6.872 -7.552 1.00 32.11 H new ATOM 0 HE1 TYR A 27 -0.028 -8.076 -11.986 1.00 61.05 H new ATOM 0 HE2 TYR A 27 1.480 -9.229 -8.169 1.00 63.51 H new ATOM 0 HH TYR A 27 -0.116 -10.526 -9.912 1.00 72.32 H new ATOM 427 N THR A 28 2.735 -1.572 -10.061 1.00 43.53 N ATOM 428 CA THR A 28 2.927 -0.160 -9.703 1.00 5.35 C ATOM 429 C THR A 28 1.763 0.692 -10.244 1.00 44.51 C ATOM 430 O THR A 28 1.392 0.581 -11.417 1.00 41.20 O ATOM 431 CB THR A 28 4.298 0.380 -10.226 1.00 2.23 C ATOM 432 OG1 THR A 28 5.356 -0.448 -9.711 1.00 13.22 O ATOM 433 CG2 THR A 28 4.547 1.849 -9.806 1.00 32.41 C ATOM 0 H THR A 28 2.687 -1.737 -11.066 1.00 43.53 H new ATOM 0 HA THR A 28 2.938 -0.087 -8.616 1.00 5.35 H new ATOM 0 HB THR A 28 4.276 0.348 -11.315 1.00 2.23 H new ATOM 0 HG1 THR A 28 6.219 -0.116 -10.036 1.00 13.22 H new ATOM 0 HG21 THR A 28 5.511 2.179 -10.192 1.00 32.41 H new ATOM 0 HG22 THR A 28 3.758 2.482 -10.211 1.00 32.41 H new ATOM 0 HG23 THR A 28 4.548 1.921 -8.718 1.00 32.41 H new ATOM 441 N TYR A 29 1.183 1.520 -9.357 1.00 62.32 N ATOM 442 CA TYR A 29 0.070 2.438 -9.673 1.00 61.01 C ATOM 443 C TYR A 29 0.498 3.864 -9.290 1.00 4.12 C ATOM 444 O TYR A 29 1.283 4.032 -8.358 1.00 64.41 O ATOM 445 CB TYR A 29 -1.199 2.028 -8.870 1.00 21.42 C ATOM 446 CG TYR A 29 -1.489 0.513 -8.886 1.00 44.41 C ATOM 447 CD1 TYR A 29 -1.992 -0.119 -10.029 1.00 3.14 C ATOM 448 CD2 TYR A 29 -1.238 -0.282 -7.761 1.00 42.31 C ATOM 449 CE1 TYR A 29 -2.230 -1.482 -10.042 1.00 64.13 C ATOM 450 CE2 TYR A 29 -1.478 -1.635 -7.773 1.00 61.42 C ATOM 451 CZ TYR A 29 -1.972 -2.231 -8.913 1.00 62.03 C ATOM 452 OH TYR A 29 -2.207 -3.585 -8.922 1.00 65.14 O ATOM 0 H TYR A 29 1.479 1.572 -8.382 1.00 62.32 H new ATOM 0 HA TYR A 29 -0.165 2.392 -10.736 1.00 61.01 H new ATOM 0 HB2 TYR A 29 -1.084 2.355 -7.836 1.00 21.42 H new ATOM 0 HB3 TYR A 29 -2.061 2.557 -9.277 1.00 21.42 H new ATOM 0 HD1 TYR A 29 -2.197 0.466 -10.914 1.00 3.14 H new ATOM 0 HD2 TYR A 29 -0.848 0.178 -6.865 1.00 42.31 H new ATOM 0 HE1 TYR A 29 -2.616 -1.957 -10.932 1.00 64.13 H new ATOM 0 HE2 TYR A 29 -1.280 -2.229 -6.893 1.00 61.42 H new ATOM 0 HH TYR A 29 -2.814 -3.807 -9.658 1.00 65.14 H new ATOM 462 N THR A 30 0.041 4.887 -10.026 1.00 75.33 N ATOM 463 CA THR A 30 0.293 6.298 -9.668 1.00 74.02 C ATOM 464 C THR A 30 -1.017 7.099 -9.745 1.00 5.33 C ATOM 465 O THR A 30 -1.619 7.215 -10.817 1.00 20.23 O ATOM 466 CB THR A 30 1.410 6.930 -10.565 1.00 1.40 C ATOM 467 OG1 THR A 30 2.586 6.103 -10.492 1.00 73.31 O ATOM 468 CG2 THR A 30 1.782 8.362 -10.125 1.00 50.33 C ATOM 0 H THR A 30 -0.508 4.767 -10.877 1.00 75.33 H new ATOM 0 HA THR A 30 0.660 6.334 -8.642 1.00 74.02 H new ATOM 0 HB THR A 30 1.024 6.986 -11.583 1.00 1.40 H new ATOM 0 HG1 THR A 30 3.292 6.488 -11.052 1.00 73.31 H new ATOM 0 HG21 THR A 30 2.561 8.753 -10.780 1.00 50.33 H new ATOM 0 HG22 THR A 30 0.901 9.002 -10.186 1.00 50.33 H new ATOM 0 HG23 THR A 30 2.147 8.344 -9.098 1.00 50.33 H new ATOM 476 N VAL A 31 -1.469 7.623 -8.589 1.00 32.43 N ATOM 477 CA VAL A 31 -2.716 8.405 -8.461 1.00 23.23 C ATOM 478 C VAL A 31 -2.398 9.752 -7.781 1.00 43.20 C ATOM 479 O VAL A 31 -1.684 9.791 -6.790 1.00 10.24 O ATOM 480 CB VAL A 31 -3.816 7.607 -7.649 1.00 64.23 C ATOM 481 CG1 VAL A 31 -4.304 6.360 -8.436 1.00 34.21 C ATOM 482 CG2 VAL A 31 -3.302 7.196 -6.246 1.00 32.30 C ATOM 0 H VAL A 31 -0.972 7.514 -7.705 1.00 32.43 H new ATOM 0 HA VAL A 31 -3.123 8.588 -9.455 1.00 23.23 H new ATOM 0 HB VAL A 31 -4.664 8.278 -7.513 1.00 64.23 H new ATOM 0 HG11 VAL A 31 -5.059 5.833 -7.852 1.00 34.21 H new ATOM 0 HG12 VAL A 31 -4.735 6.675 -9.386 1.00 34.21 H new ATOM 0 HG13 VAL A 31 -3.461 5.695 -8.623 1.00 34.21 H new ATOM 0 HG21 VAL A 31 -4.084 6.650 -5.718 1.00 32.30 H new ATOM 0 HG22 VAL A 31 -2.424 6.559 -6.352 1.00 32.30 H new ATOM 0 HG23 VAL A 31 -3.037 8.089 -5.680 1.00 32.30 H new ATOM 492 N THR A 32 -2.915 10.860 -8.335 1.00 31.30 N ATOM 493 CA THR A 32 -2.642 12.220 -7.822 1.00 3.03 C ATOM 494 C THR A 32 -3.648 12.605 -6.705 1.00 42.43 C ATOM 495 O THR A 32 -3.501 13.645 -6.054 1.00 3.10 O ATOM 496 CB THR A 32 -2.655 13.268 -9.002 1.00 61.43 C ATOM 497 OG1 THR A 32 -1.942 14.458 -8.633 1.00 44.40 O ATOM 498 CG2 THR A 32 -4.077 13.654 -9.463 1.00 13.15 C ATOM 0 H THR A 32 -3.532 10.843 -9.147 1.00 31.30 H new ATOM 0 HA THR A 32 -1.646 12.229 -7.378 1.00 3.03 H new ATOM 0 HB THR A 32 -2.161 12.776 -9.840 1.00 61.43 H new ATOM 0 HG1 THR A 32 -2.126 14.672 -7.694 1.00 44.40 H new ATOM 0 HG21 THR A 32 -4.012 14.377 -10.276 1.00 13.15 H new ATOM 0 HG22 THR A 32 -4.601 12.764 -9.810 1.00 13.15 H new ATOM 0 HG23 THR A 32 -4.623 14.094 -8.629 1.00 13.15 H new ATOM 506 N THR A 33 -4.653 11.739 -6.470 1.00 22.12 N ATOM 507 CA THR A 33 -5.743 12.000 -5.507 1.00 11.21 C ATOM 508 C THR A 33 -5.900 10.810 -4.528 1.00 14.20 C ATOM 509 O THR A 33 -5.736 9.647 -4.928 1.00 43.12 O ATOM 510 CB THR A 33 -7.072 12.276 -6.285 1.00 51.41 C ATOM 511 OG1 THR A 33 -6.873 13.359 -7.208 1.00 64.35 O ATOM 512 CG2 THR A 33 -8.264 12.611 -5.372 1.00 32.22 C ATOM 0 H THR A 33 -4.733 10.838 -6.942 1.00 22.12 H new ATOM 0 HA THR A 33 -5.498 12.881 -4.914 1.00 11.21 H new ATOM 0 HB THR A 33 -7.320 11.351 -6.806 1.00 51.41 H new ATOM 0 HG1 THR A 33 -7.705 13.530 -7.696 1.00 64.35 H new ATOM 0 HG21 THR A 33 -9.150 12.790 -5.981 1.00 32.22 H new ATOM 0 HG22 THR A 33 -8.451 11.776 -4.697 1.00 32.22 H new ATOM 0 HG23 THR A 33 -8.037 13.504 -4.790 1.00 32.22 H new ATOM 520 N GLU A 34 -6.217 11.138 -3.254 1.00 63.50 N ATOM 521 CA GLU A 34 -6.329 10.177 -2.122 1.00 62.44 C ATOM 522 C GLU A 34 -7.379 9.073 -2.387 1.00 21.32 C ATOM 523 O GLU A 34 -7.136 7.883 -2.144 1.00 25.13 O ATOM 524 CB GLU A 34 -6.732 10.959 -0.835 1.00 1.42 C ATOM 525 CG GLU A 34 -5.791 12.132 -0.453 1.00 21.10 C ATOM 526 CD GLU A 34 -4.417 11.683 0.055 1.00 52.20 C ATOM 527 OE1 GLU A 34 -4.355 11.153 1.186 1.00 40.34 O ATOM 528 OE2 GLU A 34 -3.403 11.853 -0.662 1.00 63.52 O ATOM 0 H GLU A 34 -6.407 12.100 -2.974 1.00 63.50 H new ATOM 0 HA GLU A 34 -5.361 9.691 -2.003 1.00 62.44 H new ATOM 0 HB2 GLU A 34 -7.740 11.352 -0.968 1.00 1.42 H new ATOM 0 HB3 GLU A 34 -6.771 10.259 -0.001 1.00 1.42 H new ATOM 0 HG2 GLU A 34 -5.654 12.774 -1.323 1.00 21.10 H new ATOM 0 HG3 GLU A 34 -6.273 12.736 0.316 1.00 21.10 H new ATOM 535 N SER A 35 -8.547 9.503 -2.885 1.00 12.25 N ATOM 536 CA SER A 35 -9.732 8.647 -3.075 1.00 34.45 C ATOM 537 C SER A 35 -9.516 7.548 -4.138 1.00 2.43 C ATOM 538 O SER A 35 -10.090 6.455 -4.037 1.00 30.45 O ATOM 539 CB SER A 35 -10.920 9.552 -3.461 1.00 4.22 C ATOM 540 OG SER A 35 -10.598 10.365 -4.581 1.00 43.10 O ATOM 0 H SER A 35 -8.700 10.470 -3.172 1.00 12.25 H new ATOM 0 HA SER A 35 -9.932 8.122 -2.141 1.00 34.45 H new ATOM 0 HB2 SER A 35 -11.790 8.937 -3.692 1.00 4.22 H new ATOM 0 HB3 SER A 35 -11.191 10.183 -2.615 1.00 4.22 H new ATOM 0 HG SER A 35 -10.639 9.827 -5.399 1.00 43.10 H new ATOM 546 N GLU A 36 -8.673 7.856 -5.138 1.00 51.41 N ATOM 547 CA GLU A 36 -8.409 6.974 -6.296 1.00 75.32 C ATOM 548 C GLU A 36 -7.626 5.719 -5.870 1.00 30.34 C ATOM 549 O GLU A 36 -7.863 4.611 -6.371 1.00 43.21 O ATOM 550 CB GLU A 36 -7.601 7.752 -7.364 1.00 72.35 C ATOM 551 CG GLU A 36 -8.156 9.146 -7.716 1.00 12.43 C ATOM 552 CD GLU A 36 -9.589 9.139 -8.258 1.00 53.01 C ATOM 553 OE1 GLU A 36 -9.784 8.740 -9.426 1.00 51.22 O ATOM 554 OE2 GLU A 36 -10.522 9.543 -7.531 1.00 61.15 O ATOM 0 H GLU A 36 -8.149 8.731 -5.169 1.00 51.41 H new ATOM 0 HA GLU A 36 -9.365 6.656 -6.711 1.00 75.32 H new ATOM 0 HB2 GLU A 36 -6.576 7.865 -7.011 1.00 72.35 H new ATOM 0 HB3 GLU A 36 -7.561 7.154 -8.274 1.00 72.35 H new ATOM 0 HG2 GLU A 36 -8.121 9.773 -6.825 1.00 12.43 H new ATOM 0 HG3 GLU A 36 -7.503 9.607 -8.457 1.00 12.43 H new ATOM 561 N LEU A 37 -6.698 5.936 -4.923 1.00 71.42 N ATOM 562 CA LEU A 37 -5.792 4.906 -4.384 1.00 42.44 C ATOM 563 C LEU A 37 -6.548 3.710 -3.782 1.00 42.00 C ATOM 564 O LEU A 37 -6.138 2.557 -3.926 1.00 74.40 O ATOM 565 CB LEU A 37 -4.911 5.537 -3.283 1.00 15.33 C ATOM 566 CG LEU A 37 -4.000 4.536 -2.476 1.00 14.43 C ATOM 567 CD1 LEU A 37 -2.511 4.778 -2.714 1.00 54.21 C ATOM 568 CD2 LEU A 37 -4.343 4.526 -0.969 1.00 31.12 C ATOM 0 H LEU A 37 -6.553 6.853 -4.501 1.00 71.42 H new ATOM 0 HA LEU A 37 -5.190 4.536 -5.214 1.00 42.44 H new ATOM 0 HB2 LEU A 37 -4.272 6.290 -3.743 1.00 15.33 H new ATOM 0 HB3 LEU A 37 -5.560 6.057 -2.578 1.00 15.33 H new ATOM 0 HG LEU A 37 -4.221 3.542 -2.864 1.00 14.43 H new ATOM 0 HD11 LEU A 37 -1.929 4.062 -2.135 1.00 54.21 H new ATOM 0 HD12 LEU A 37 -2.287 4.655 -3.774 1.00 54.21 H new ATOM 0 HD13 LEU A 37 -2.253 5.791 -2.404 1.00 54.21 H new ATOM 0 HD21 LEU A 37 -3.691 3.822 -0.452 1.00 31.12 H new ATOM 0 HD22 LEU A 37 -4.199 5.525 -0.556 1.00 31.12 H new ATOM 0 HD23 LEU A 37 -5.382 4.224 -0.834 1.00 31.12 H new ATOM 580 N GLN A 38 -7.650 4.005 -3.099 1.00 11.35 N ATOM 581 CA GLN A 38 -8.392 3.015 -2.296 1.00 3.13 C ATOM 582 C GLN A 38 -9.016 1.905 -3.183 1.00 65.44 C ATOM 583 O GLN A 38 -9.343 0.820 -2.693 1.00 24.44 O ATOM 584 CB GLN A 38 -9.435 3.759 -1.426 1.00 52.43 C ATOM 585 CG GLN A 38 -8.802 4.895 -0.579 1.00 71.23 C ATOM 586 CD GLN A 38 -9.779 5.635 0.328 1.00 25.31 C ATOM 587 OE1 GLN A 38 -10.975 5.724 0.043 1.00 20.41 O ATOM 588 NE2 GLN A 38 -9.275 6.200 1.418 1.00 52.11 N ATOM 0 H GLN A 38 -8.062 4.938 -3.081 1.00 11.35 H new ATOM 0 HA GLN A 38 -7.705 2.491 -1.631 1.00 3.13 H new ATOM 0 HB2 GLN A 38 -10.208 4.178 -2.070 1.00 52.43 H new ATOM 0 HB3 GLN A 38 -9.925 3.046 -0.763 1.00 52.43 H new ATOM 0 HG2 GLN A 38 -8.007 4.472 0.035 1.00 71.23 H new ATOM 0 HG3 GLN A 38 -8.336 5.615 -1.252 1.00 71.23 H new ATOM 0 HE21 GLN A 38 -8.281 6.108 1.627 1.00 52.11 H new ATOM 0 HE22 GLN A 38 -9.882 6.726 2.047 1.00 52.11 H new ATOM 597 N LYS A 39 -9.145 2.195 -4.496 1.00 4.45 N ATOM 598 CA LYS A 39 -9.560 1.210 -5.513 1.00 21.30 C ATOM 599 C LYS A 39 -8.355 0.348 -5.952 1.00 33.10 C ATOM 600 O LYS A 39 -8.480 -0.877 -6.071 1.00 52.54 O ATOM 601 CB LYS A 39 -10.203 1.897 -6.761 1.00 51.53 C ATOM 602 CG LYS A 39 -11.580 2.566 -6.516 1.00 64.25 C ATOM 603 CD LYS A 39 -11.506 3.887 -5.710 1.00 30.32 C ATOM 604 CE LYS A 39 -12.880 4.544 -5.512 1.00 33.35 C ATOM 605 NZ LYS A 39 -12.786 5.796 -4.719 1.00 12.33 N ATOM 0 H LYS A 39 -8.963 3.123 -4.879 1.00 4.45 H new ATOM 0 HA LYS A 39 -10.316 0.571 -5.056 1.00 21.30 H new ATOM 0 HB2 LYS A 39 -9.512 2.653 -7.135 1.00 51.53 H new ATOM 0 HB3 LYS A 39 -10.315 1.151 -7.548 1.00 51.53 H new ATOM 0 HG2 LYS A 39 -12.051 2.766 -7.478 1.00 64.25 H new ATOM 0 HG3 LYS A 39 -12.224 1.864 -5.985 1.00 64.25 H new ATOM 0 HD2 LYS A 39 -11.060 3.688 -4.735 1.00 30.32 H new ATOM 0 HD3 LYS A 39 -10.846 4.585 -6.225 1.00 30.32 H new ATOM 0 HE2 LYS A 39 -13.321 4.762 -6.484 1.00 33.35 H new ATOM 0 HE3 LYS A 39 -13.548 3.845 -5.009 1.00 33.35 H new ATOM 0 HZ1 LYS A 39 -13.317 5.686 -3.832 1.00 12.33 H new ATOM 0 HZ2 LYS A 39 -11.789 5.996 -4.503 1.00 12.33 H new ATOM 0 HZ3 LYS A 39 -13.186 6.584 -5.266 1.00 12.33 H new ATOM 619 N VAL A 40 -7.178 1.000 -6.165 1.00 4.21 N ATOM 620 CA VAL A 40 -5.970 0.326 -6.714 1.00 55.15 C ATOM 621 C VAL A 40 -5.420 -0.736 -5.733 1.00 63.34 C ATOM 622 O VAL A 40 -4.699 -1.644 -6.146 1.00 20.43 O ATOM 623 CB VAL A 40 -4.812 1.331 -7.144 1.00 72.41 C ATOM 624 CG1 VAL A 40 -5.378 2.526 -7.942 1.00 62.02 C ATOM 625 CG2 VAL A 40 -3.931 1.816 -5.959 1.00 44.10 C ATOM 0 H VAL A 40 -7.042 1.991 -5.964 1.00 4.21 H new ATOM 0 HA VAL A 40 -6.307 -0.168 -7.625 1.00 55.15 H new ATOM 0 HB VAL A 40 -4.149 0.759 -7.793 1.00 72.41 H new ATOM 0 HG11 VAL A 40 -4.564 3.195 -8.222 1.00 62.02 H new ATOM 0 HG12 VAL A 40 -5.873 2.161 -8.842 1.00 62.02 H new ATOM 0 HG13 VAL A 40 -6.097 3.067 -7.326 1.00 62.02 H new ATOM 0 HG21 VAL A 40 -3.165 2.497 -6.330 1.00 44.10 H new ATOM 0 HG22 VAL A 40 -4.555 2.334 -5.230 1.00 44.10 H new ATOM 0 HG23 VAL A 40 -3.455 0.958 -5.485 1.00 44.10 H new ATOM 635 N LEU A 41 -5.758 -0.581 -4.435 1.00 55.44 N ATOM 636 CA LEU A 41 -5.409 -1.542 -3.371 1.00 43.31 C ATOM 637 C LEU A 41 -6.231 -2.843 -3.495 1.00 63.22 C ATOM 638 O LEU A 41 -5.693 -3.940 -3.304 1.00 24.30 O ATOM 639 CB LEU A 41 -5.596 -0.888 -1.965 1.00 10.53 C ATOM 640 CG LEU A 41 -4.319 -0.243 -1.338 1.00 44.11 C ATOM 641 CD1 LEU A 41 -3.217 -1.298 -1.123 1.00 4.21 C ATOM 642 CD2 LEU A 41 -3.800 0.945 -2.171 1.00 2.44 C ATOM 0 H LEU A 41 -6.286 0.223 -4.095 1.00 55.44 H new ATOM 0 HA LEU A 41 -4.359 -1.811 -3.488 1.00 43.31 H new ATOM 0 HB2 LEU A 41 -6.367 -0.121 -2.042 1.00 10.53 H new ATOM 0 HB3 LEU A 41 -5.970 -1.648 -1.279 1.00 10.53 H new ATOM 0 HG LEU A 41 -4.604 0.154 -0.364 1.00 44.11 H new ATOM 0 HD11 LEU A 41 -2.339 -0.823 -0.686 1.00 4.21 H new ATOM 0 HD12 LEU A 41 -3.583 -2.074 -0.451 1.00 4.21 H new ATOM 0 HD13 LEU A 41 -2.949 -1.744 -2.081 1.00 4.21 H new ATOM 0 HD21 LEU A 41 -2.911 1.361 -1.697 1.00 2.44 H new ATOM 0 HD22 LEU A 41 -3.549 0.603 -3.175 1.00 2.44 H new ATOM 0 HD23 LEU A 41 -4.572 1.712 -2.231 1.00 2.44 H new ATOM 654 N ASN A 42 -7.537 -2.698 -3.801 1.00 65.22 N ATOM 655 CA ASN A 42 -8.443 -3.840 -4.046 1.00 0.34 C ATOM 656 C ASN A 42 -7.977 -4.628 -5.287 1.00 34.23 C ATOM 657 O ASN A 42 -8.050 -5.866 -5.318 1.00 50.44 O ATOM 658 CB ASN A 42 -9.912 -3.342 -4.204 1.00 25.11 C ATOM 659 CG ASN A 42 -10.890 -4.452 -4.625 1.00 64.13 C ATOM 660 OD1 ASN A 42 -11.399 -5.200 -3.791 1.00 22.12 O ATOM 661 ND2 ASN A 42 -11.155 -4.564 -5.925 1.00 54.23 N ATOM 0 H ASN A 42 -7.992 -1.789 -3.885 1.00 65.22 H new ATOM 0 HA ASN A 42 -8.412 -4.513 -3.189 1.00 0.34 H new ATOM 0 HB2 ASN A 42 -10.246 -2.912 -3.260 1.00 25.11 H new ATOM 0 HB3 ASN A 42 -9.940 -2.543 -4.945 1.00 25.11 H new ATOM 0 HD21 ASN A 42 -11.796 -5.286 -6.254 1.00 54.23 H new ATOM 0 HD22 ASN A 42 -10.717 -3.928 -6.591 1.00 54.23 H new ATOM 668 N GLU A 43 -7.489 -3.884 -6.296 1.00 60.20 N ATOM 669 CA GLU A 43 -6.902 -4.462 -7.511 1.00 43.21 C ATOM 670 C GLU A 43 -5.623 -5.237 -7.163 1.00 43.15 C ATOM 671 O GLU A 43 -5.487 -6.411 -7.505 1.00 14.11 O ATOM 672 CB GLU A 43 -6.609 -3.345 -8.543 1.00 32.14 C ATOM 673 CG GLU A 43 -7.837 -2.494 -8.932 1.00 72.31 C ATOM 674 CD GLU A 43 -9.027 -3.336 -9.439 1.00 21.23 C ATOM 675 OE1 GLU A 43 -8.992 -3.794 -10.603 1.00 61.53 O ATOM 676 OE2 GLU A 43 -9.999 -3.559 -8.667 1.00 14.15 O ATOM 0 H GLU A 43 -7.492 -2.864 -6.289 1.00 60.20 H new ATOM 0 HA GLU A 43 -7.613 -5.159 -7.954 1.00 43.21 H new ATOM 0 HB2 GLU A 43 -5.840 -2.687 -8.138 1.00 32.14 H new ATOM 0 HB3 GLU A 43 -6.198 -3.799 -9.444 1.00 32.14 H new ATOM 0 HG2 GLU A 43 -8.155 -1.911 -8.068 1.00 72.31 H new ATOM 0 HG3 GLU A 43 -7.548 -1.783 -9.706 1.00 72.31 H new ATOM 683 N LEU A 44 -4.740 -4.563 -6.406 1.00 63.44 N ATOM 684 CA LEU A 44 -3.423 -5.078 -5.995 1.00 11.20 C ATOM 685 C LEU A 44 -3.550 -6.412 -5.236 1.00 73.00 C ATOM 686 O LEU A 44 -2.765 -7.333 -5.456 1.00 53.25 O ATOM 687 CB LEU A 44 -2.721 -3.998 -5.126 1.00 23.23 C ATOM 688 CG LEU A 44 -1.263 -4.298 -4.657 1.00 60.23 C ATOM 689 CD1 LEU A 44 -0.367 -4.700 -5.842 1.00 73.22 C ATOM 690 CD2 LEU A 44 -0.670 -3.088 -3.899 1.00 13.31 C ATOM 0 H LEU A 44 -4.927 -3.624 -6.055 1.00 63.44 H new ATOM 0 HA LEU A 44 -2.821 -5.283 -6.881 1.00 11.20 H new ATOM 0 HB2 LEU A 44 -2.709 -3.065 -5.690 1.00 23.23 H new ATOM 0 HB3 LEU A 44 -3.333 -3.827 -4.240 1.00 23.23 H new ATOM 0 HG LEU A 44 -1.300 -5.143 -3.970 1.00 60.23 H new ATOM 0 HD11 LEU A 44 0.642 -4.902 -5.483 1.00 73.22 H new ATOM 0 HD12 LEU A 44 -0.770 -5.595 -6.316 1.00 73.22 H new ATOM 0 HD13 LEU A 44 -0.338 -3.887 -6.568 1.00 73.22 H new ATOM 0 HD21 LEU A 44 0.347 -3.320 -3.582 1.00 13.31 H new ATOM 0 HD22 LEU A 44 -0.655 -2.219 -4.556 1.00 13.31 H new ATOM 0 HD23 LEU A 44 -1.283 -2.871 -3.024 1.00 13.31 H new ATOM 702 N LYS A 45 -4.586 -6.487 -4.384 1.00 12.12 N ATOM 703 CA LYS A 45 -4.909 -7.665 -3.565 1.00 41.13 C ATOM 704 C LYS A 45 -5.090 -8.922 -4.430 1.00 5.43 C ATOM 705 O LYS A 45 -4.434 -9.941 -4.200 1.00 73.22 O ATOM 706 CB LYS A 45 -6.213 -7.391 -2.787 1.00 41.35 C ATOM 707 CG LYS A 45 -6.648 -8.509 -1.809 1.00 32.30 C ATOM 708 CD LYS A 45 -7.937 -8.149 -1.042 1.00 2.43 C ATOM 709 CE LYS A 45 -9.126 -7.827 -1.972 1.00 10.44 C ATOM 710 NZ LYS A 45 -10.341 -7.444 -1.212 1.00 30.42 N ATOM 0 H LYS A 45 -5.236 -5.713 -4.243 1.00 12.12 H new ATOM 0 HA LYS A 45 -4.081 -7.844 -2.879 1.00 41.13 H new ATOM 0 HB2 LYS A 45 -6.093 -6.465 -2.224 1.00 41.35 H new ATOM 0 HB3 LYS A 45 -7.017 -7.226 -3.505 1.00 41.35 H new ATOM 0 HG2 LYS A 45 -6.805 -9.433 -2.365 1.00 32.30 H new ATOM 0 HG3 LYS A 45 -5.845 -8.698 -1.097 1.00 32.30 H new ATOM 0 HD2 LYS A 45 -8.208 -8.979 -0.390 1.00 2.43 H new ATOM 0 HD3 LYS A 45 -7.743 -7.290 -0.400 1.00 2.43 H new ATOM 0 HE2 LYS A 45 -8.850 -7.016 -2.646 1.00 10.44 H new ATOM 0 HE3 LYS A 45 -9.346 -8.696 -2.593 1.00 10.44 H new ATOM 0 HZ1 LYS A 45 -10.831 -6.671 -1.707 1.00 30.42 H new ATOM 0 HZ2 LYS A 45 -10.976 -8.264 -1.136 1.00 30.42 H new ATOM 0 HZ3 LYS A 45 -10.069 -7.128 -0.259 1.00 30.42 H new ATOM 724 N ASP A 46 -5.986 -8.805 -5.431 1.00 55.42 N ATOM 725 CA ASP A 46 -6.385 -9.915 -6.309 1.00 72.11 C ATOM 726 C ASP A 46 -5.218 -10.342 -7.219 1.00 2.24 C ATOM 727 O ASP A 46 -5.021 -11.534 -7.458 1.00 62.32 O ATOM 728 CB ASP A 46 -7.617 -9.502 -7.165 1.00 30.22 C ATOM 729 CG ASP A 46 -8.086 -10.616 -8.125 1.00 30.01 C ATOM 730 OD1 ASP A 46 -8.786 -11.546 -7.668 1.00 1.22 O ATOM 731 OD2 ASP A 46 -7.737 -10.580 -9.330 1.00 23.11 O ATOM 0 H ASP A 46 -6.456 -7.927 -5.652 1.00 55.42 H new ATOM 0 HA ASP A 46 -6.657 -10.767 -5.686 1.00 72.11 H new ATOM 0 HB2 ASP A 46 -8.439 -9.232 -6.502 1.00 30.22 H new ATOM 0 HB3 ASP A 46 -7.369 -8.612 -7.744 1.00 30.22 H new ATOM 736 N TYR A 47 -4.454 -9.343 -7.707 1.00 32.13 N ATOM 737 CA TYR A 47 -3.338 -9.558 -8.654 1.00 33.43 C ATOM 738 C TYR A 47 -2.190 -10.343 -7.991 1.00 42.41 C ATOM 739 O TYR A 47 -1.565 -11.199 -8.629 1.00 55.22 O ATOM 740 CB TYR A 47 -2.823 -8.194 -9.198 1.00 21.54 C ATOM 741 CG TYR A 47 -3.850 -7.351 -9.991 1.00 1.23 C ATOM 742 CD1 TYR A 47 -5.135 -7.829 -10.309 1.00 35.30 C ATOM 743 CD2 TYR A 47 -3.526 -6.058 -10.410 1.00 24.15 C ATOM 744 CE1 TYR A 47 -6.038 -7.053 -11.005 1.00 43.22 C ATOM 745 CE2 TYR A 47 -4.435 -5.282 -11.105 1.00 50.32 C ATOM 746 CZ TYR A 47 -5.689 -5.786 -11.398 1.00 60.33 C ATOM 747 OH TYR A 47 -6.600 -5.017 -12.081 1.00 70.23 O ATOM 0 H TYR A 47 -4.593 -8.364 -7.456 1.00 32.13 H new ATOM 0 HA TYR A 47 -3.711 -10.151 -9.489 1.00 33.43 H new ATOM 0 HB2 TYR A 47 -2.467 -7.600 -8.356 1.00 21.54 H new ATOM 0 HB3 TYR A 47 -1.963 -8.383 -9.841 1.00 21.54 H new ATOM 0 HD1 TYR A 47 -5.420 -8.824 -10.002 1.00 35.30 H new ATOM 0 HD2 TYR A 47 -2.548 -5.658 -10.187 1.00 24.15 H new ATOM 0 HE1 TYR A 47 -7.018 -7.442 -11.240 1.00 43.22 H new ATOM 0 HE2 TYR A 47 -4.166 -4.284 -11.418 1.00 50.32 H new ATOM 0 HH TYR A 47 -7.296 -4.708 -11.464 1.00 70.23 H new ATOM 757 N ILE A 48 -1.937 -10.028 -6.710 1.00 23.11 N ATOM 758 CA ILE A 48 -0.955 -10.734 -5.872 1.00 15.53 C ATOM 759 C ILE A 48 -1.468 -12.144 -5.524 1.00 64.20 C ATOM 760 O ILE A 48 -0.738 -13.117 -5.667 1.00 21.43 O ATOM 761 CB ILE A 48 -0.648 -9.934 -4.544 1.00 51.02 C ATOM 762 CG1 ILE A 48 0.077 -8.583 -4.865 1.00 43.13 C ATOM 763 CG2 ILE A 48 0.166 -10.783 -3.527 1.00 25.14 C ATOM 764 CD1 ILE A 48 0.258 -7.663 -3.664 1.00 3.10 C ATOM 0 H ILE A 48 -2.413 -9.269 -6.223 1.00 23.11 H new ATOM 0 HA ILE A 48 -0.030 -10.815 -6.442 1.00 15.53 H new ATOM 0 HB ILE A 48 -1.604 -9.705 -4.072 1.00 51.02 H new ATOM 0 HG12 ILE A 48 1.057 -8.803 -5.289 1.00 43.13 H new ATOM 0 HG13 ILE A 48 -0.490 -8.053 -5.630 1.00 43.13 H new ATOM 0 HG21 ILE A 48 0.354 -10.194 -2.630 1.00 25.14 H new ATOM 0 HG22 ILE A 48 -0.401 -11.676 -3.263 1.00 25.14 H new ATOM 0 HG23 ILE A 48 1.116 -11.075 -3.975 1.00 25.14 H new ATOM 0 HD11 ILE A 48 0.768 -6.752 -3.977 1.00 3.10 H new ATOM 0 HD12 ILE A 48 -0.718 -7.409 -3.250 1.00 3.10 H new ATOM 0 HD13 ILE A 48 0.853 -8.169 -2.904 1.00 3.10 H new ATOM 776 N LYS A 49 -2.735 -12.232 -5.086 1.00 1.33 N ATOM 777 CA LYS A 49 -3.325 -13.485 -4.568 1.00 53.10 C ATOM 778 C LYS A 49 -3.505 -14.538 -5.684 1.00 55.00 C ATOM 779 O LYS A 49 -3.488 -15.749 -5.420 1.00 52.11 O ATOM 780 CB LYS A 49 -4.673 -13.186 -3.865 1.00 1.12 C ATOM 781 CG LYS A 49 -5.287 -14.406 -3.153 1.00 30.13 C ATOM 782 CD LYS A 49 -6.547 -14.073 -2.328 1.00 53.31 C ATOM 783 CE LYS A 49 -7.049 -15.291 -1.540 1.00 1.31 C ATOM 784 NZ LYS A 49 -8.166 -14.956 -0.628 1.00 14.34 N ATOM 0 H LYS A 49 -3.380 -11.442 -5.079 1.00 1.33 H new ATOM 0 HA LYS A 49 -2.633 -13.907 -3.839 1.00 53.10 H new ATOM 0 HB2 LYS A 49 -4.523 -12.389 -3.136 1.00 1.12 H new ATOM 0 HB3 LYS A 49 -5.382 -12.813 -4.604 1.00 1.12 H new ATOM 0 HG2 LYS A 49 -5.540 -15.161 -3.898 1.00 30.13 H new ATOM 0 HG3 LYS A 49 -4.538 -14.846 -2.495 1.00 30.13 H new ATOM 0 HD2 LYS A 49 -6.325 -13.259 -1.638 1.00 53.31 H new ATOM 0 HD3 LYS A 49 -7.335 -13.720 -2.994 1.00 53.31 H new ATOM 0 HE2 LYS A 49 -7.373 -16.063 -2.238 1.00 1.31 H new ATOM 0 HE3 LYS A 49 -6.225 -15.710 -0.962 1.00 1.31 H new ATOM 0 HZ1 LYS A 49 -8.468 -15.812 -0.120 1.00 14.34 H new ATOM 0 HZ2 LYS A 49 -7.852 -14.239 0.057 1.00 14.34 H new ATOM 0 HZ3 LYS A 49 -8.964 -14.581 -1.180 1.00 14.34 H new ATOM 798 N LYS A 50 -3.655 -14.056 -6.926 1.00 23.24 N ATOM 799 CA LYS A 50 -3.810 -14.903 -8.121 1.00 44.20 C ATOM 800 C LYS A 50 -2.550 -15.772 -8.357 1.00 22.11 C ATOM 801 O LYS A 50 -2.642 -16.903 -8.852 1.00 12.12 O ATOM 802 CB LYS A 50 -4.113 -14.003 -9.344 1.00 0.22 C ATOM 803 CG LYS A 50 -4.379 -14.751 -10.673 1.00 15.04 C ATOM 804 CD LYS A 50 -4.951 -13.827 -11.775 1.00 55.24 C ATOM 805 CE LYS A 50 -4.051 -12.617 -12.090 1.00 13.24 C ATOM 806 NZ LYS A 50 -2.702 -13.037 -12.530 1.00 25.51 N ATOM 0 H LYS A 50 -3.673 -13.057 -7.133 1.00 23.24 H new ATOM 0 HA LYS A 50 -4.643 -15.589 -7.970 1.00 44.20 H new ATOM 0 HB2 LYS A 50 -4.983 -13.388 -9.114 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -3.272 -13.325 -9.491 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -3.450 -15.198 -11.026 1.00 15.04 H new ATOM 0 HG3 LYS A 50 -5.077 -15.568 -10.492 1.00 15.04 H new ATOM 0 HD2 LYS A 50 -5.097 -14.408 -12.686 1.00 55.24 H new ATOM 0 HD3 LYS A 50 -5.933 -13.469 -11.465 1.00 55.24 H new ATOM 0 HE2 LYS A 50 -4.515 -12.011 -12.868 1.00 13.24 H new ATOM 0 HE3 LYS A 50 -3.965 -11.987 -11.205 1.00 13.24 H new ATOM 0 HZ1 LYS A 50 -2.147 -12.199 -12.797 1.00 25.51 H new ATOM 0 HZ2 LYS A 50 -2.223 -13.536 -11.753 1.00 25.51 H new ATOM 0 HZ3 LYS A 50 -2.786 -13.672 -13.349 1.00 25.51 H new ATOM 820 N GLN A 51 -1.383 -15.225 -7.976 1.00 54.13 N ATOM 821 CA GLN A 51 -0.089 -15.934 -8.027 1.00 42.54 C ATOM 822 C GLN A 51 0.343 -16.325 -6.600 1.00 15.54 C ATOM 823 O GLN A 51 0.505 -15.463 -5.734 1.00 1.13 O ATOM 824 CB GLN A 51 0.998 -15.063 -8.741 1.00 23.55 C ATOM 825 CG GLN A 51 0.980 -13.564 -8.365 1.00 54.10 C ATOM 826 CD GLN A 51 1.969 -12.698 -9.147 1.00 71.14 C ATOM 827 OE1 GLN A 51 2.339 -13.004 -10.280 1.00 31.40 O ATOM 828 NE2 GLN A 51 2.351 -11.572 -8.573 1.00 60.42 N ATOM 0 H GLN A 51 -1.309 -14.272 -7.621 1.00 54.13 H new ATOM 0 HA GLN A 51 -0.203 -16.845 -8.614 1.00 42.54 H new ATOM 0 HB2 GLN A 51 1.981 -15.470 -8.505 1.00 23.55 H new ATOM 0 HB3 GLN A 51 0.865 -15.154 -9.819 1.00 23.55 H new ATOM 0 HG2 GLN A 51 -0.026 -13.176 -8.523 1.00 54.10 H new ATOM 0 HG3 GLN A 51 1.196 -13.467 -7.301 1.00 54.10 H new ATOM 0 HE21 GLN A 51 2.029 -11.344 -7.633 1.00 60.42 H new ATOM 0 HE22 GLN A 51 2.968 -10.930 -9.070 1.00 60.42 H new ATOM 837 N GLY A 52 0.499 -17.641 -6.354 1.00 70.11 N ATOM 838 CA GLY A 52 0.934 -18.160 -5.052 1.00 0.12 C ATOM 839 C GLY A 52 2.423 -17.907 -4.806 1.00 72.31 C ATOM 840 O GLY A 52 3.245 -18.825 -4.897 1.00 75.42 O ATOM 0 H GLY A 52 0.327 -18.366 -7.051 1.00 70.11 H new ATOM 0 HA2 GLY A 52 0.350 -17.690 -4.260 1.00 0.12 H new ATOM 0 HA3 GLY A 52 0.735 -19.230 -5.003 1.00 0.12 H new ATOM 844 N CYS A 53 2.751 -16.638 -4.512 1.00 52.45 N ATOM 845 CA CYS A 53 4.128 -16.143 -4.355 1.00 2.33 C ATOM 846 C CYS A 53 4.576 -16.190 -2.881 1.00 3.35 C ATOM 847 O CYS A 53 3.816 -16.614 -2.000 1.00 42.11 O ATOM 848 CB CYS A 53 4.214 -14.707 -4.915 1.00 72.51 C ATOM 849 SG CYS A 53 3.873 -14.585 -6.713 1.00 41.14 S ATOM 0 H CYS A 53 2.049 -15.911 -4.374 1.00 52.45 H new ATOM 0 HA CYS A 53 4.804 -16.790 -4.914 1.00 2.33 H new ATOM 0 HB2 CYS A 53 3.506 -14.076 -4.378 1.00 72.51 H new ATOM 0 HB3 CYS A 53 5.210 -14.310 -4.717 1.00 72.51 H new ATOM 854 N LYS A 54 5.825 -15.760 -2.643 1.00 41.42 N ATOM 855 CA LYS A 54 6.454 -15.776 -1.317 1.00 53.34 C ATOM 856 C LYS A 54 5.923 -14.624 -0.439 1.00 60.41 C ATOM 857 O LYS A 54 5.172 -14.858 0.517 1.00 1.22 O ATOM 858 CB LYS A 54 7.996 -15.697 -1.484 1.00 52.40 C ATOM 859 CG LYS A 54 8.621 -16.880 -2.264 1.00 34.12 C ATOM 860 CD LYS A 54 8.473 -18.252 -1.547 1.00 23.00 C ATOM 861 CE LYS A 54 9.353 -18.406 -0.282 1.00 12.12 C ATOM 862 NZ LYS A 54 8.927 -17.543 0.854 1.00 4.22 N ATOM 0 H LYS A 54 6.431 -15.388 -3.374 1.00 41.42 H new ATOM 0 HA LYS A 54 6.201 -16.706 -0.809 1.00 53.34 H new ATOM 0 HB2 LYS A 54 8.246 -14.768 -1.997 1.00 52.40 H new ATOM 0 HB3 LYS A 54 8.453 -15.648 -0.496 1.00 52.40 H new ATOM 0 HG2 LYS A 54 8.154 -16.942 -3.247 1.00 34.12 H new ATOM 0 HG3 LYS A 54 9.680 -16.677 -2.426 1.00 34.12 H new ATOM 0 HD2 LYS A 54 7.429 -18.393 -1.269 1.00 23.00 H new ATOM 0 HD3 LYS A 54 8.725 -19.046 -2.250 1.00 23.00 H new ATOM 0 HE2 LYS A 54 9.334 -19.448 0.038 1.00 12.12 H new ATOM 0 HE3 LYS A 54 10.386 -18.170 -0.538 1.00 12.12 H new ATOM 0 HZ1 LYS A 54 9.058 -18.057 1.749 1.00 4.22 H new ATOM 0 HZ2 LYS A 54 9.501 -16.676 0.865 1.00 4.22 H new ATOM 0 HZ3 LYS A 54 7.924 -17.293 0.743 1.00 4.22 H new ATOM 876 N ARG A 55 6.311 -13.381 -0.788 1.00 11.44 N ATOM 877 CA ARG A 55 5.930 -12.171 -0.035 1.00 1.32 C ATOM 878 C ARG A 55 5.919 -10.937 -0.957 1.00 64.12 C ATOM 879 O ARG A 55 6.684 -10.865 -1.930 1.00 53.43 O ATOM 880 CB ARG A 55 6.880 -11.963 1.178 1.00 65.42 C ATOM 881 CG ARG A 55 8.380 -11.801 0.820 1.00 33.35 C ATOM 882 CD ARG A 55 9.277 -11.596 2.056 1.00 4.32 C ATOM 883 NE ARG A 55 10.696 -11.441 1.675 1.00 54.44 N ATOM 884 CZ ARG A 55 11.616 -10.698 2.318 1.00 73.32 C ATOM 885 NH1 ARG A 55 11.310 -10.006 3.408 1.00 34.12 N ATOM 886 NH2 ARG A 55 12.852 -10.655 1.859 1.00 1.21 N ATOM 0 H ARG A 55 6.897 -13.189 -1.600 1.00 11.44 H new ATOM 0 HA ARG A 55 4.919 -12.305 0.350 1.00 1.32 H new ATOM 0 HB2 ARG A 55 6.556 -11.078 1.726 1.00 65.42 H new ATOM 0 HB3 ARG A 55 6.773 -12.812 1.853 1.00 65.42 H new ATOM 0 HG2 ARG A 55 8.716 -12.685 0.277 1.00 33.35 H new ATOM 0 HG3 ARG A 55 8.497 -10.951 0.148 1.00 33.35 H new ATOM 0 HD2 ARG A 55 8.948 -10.713 2.604 1.00 4.32 H new ATOM 0 HD3 ARG A 55 9.171 -12.447 2.729 1.00 4.32 H new ATOM 0 HE ARG A 55 11.008 -11.945 0.845 1.00 54.44 H new ATOM 0 HH11 ARG A 55 10.359 -10.030 3.777 1.00 34.12 H new ATOM 0 HH12 ARG A 55 12.025 -9.451 3.877 1.00 34.12 H new ATOM 0 HH21 ARG A 55 13.104 -11.182 1.023 1.00 1.21 H new ATOM 0 HH22 ARG A 55 13.555 -10.095 2.340 1.00 1.21 H new ATOM 900 N SER A 56 5.049 -9.963 -0.632 1.00 65.41 N ATOM 901 CA SER A 56 4.813 -8.762 -1.453 1.00 1.01 C ATOM 902 C SER A 56 5.135 -7.489 -0.655 1.00 44.22 C ATOM 903 O SER A 56 4.507 -7.220 0.379 1.00 43.41 O ATOM 904 CB SER A 56 3.347 -8.752 -1.900 1.00 40.51 C ATOM 905 OG SER A 56 3.023 -9.937 -2.592 1.00 13.42 O ATOM 0 H SER A 56 4.484 -9.988 0.217 1.00 65.41 H new ATOM 0 HA SER A 56 5.466 -8.784 -2.326 1.00 1.01 H new ATOM 0 HB2 SER A 56 2.698 -8.645 -1.030 1.00 40.51 H new ATOM 0 HB3 SER A 56 3.164 -7.890 -2.542 1.00 40.51 H new ATOM 0 HG SER A 56 2.727 -9.715 -3.499 1.00 13.42 H new ATOM 911 N ARG A 57 6.103 -6.706 -1.146 1.00 23.25 N ATOM 912 CA ARG A 57 6.571 -5.485 -0.483 1.00 40.32 C ATOM 913 C ARG A 57 5.985 -4.250 -1.173 1.00 4.32 C ATOM 914 O ARG A 57 6.369 -3.931 -2.296 1.00 43.42 O ATOM 915 CB ARG A 57 8.119 -5.458 -0.511 1.00 5.42 C ATOM 916 CG ARG A 57 8.759 -4.240 0.195 1.00 42.31 C ATOM 917 CD ARG A 57 10.224 -4.483 0.568 1.00 64.31 C ATOM 918 NE ARG A 57 10.361 -5.607 1.521 1.00 71.54 N ATOM 919 CZ ARG A 57 11.037 -5.576 2.680 1.00 24.44 C ATOM 920 NH1 ARG A 57 11.669 -4.473 3.074 1.00 53.25 N ATOM 921 NH2 ARG A 57 11.040 -6.643 3.458 1.00 2.13 N ATOM 0 H ARG A 57 6.587 -6.904 -2.022 1.00 23.25 H new ATOM 0 HA ARG A 57 6.236 -5.475 0.554 1.00 40.32 H new ATOM 0 HB2 ARG A 57 8.493 -6.369 -0.044 1.00 5.42 H new ATOM 0 HB3 ARG A 57 8.450 -5.474 -1.549 1.00 5.42 H new ATOM 0 HG2 ARG A 57 8.693 -3.370 -0.458 1.00 42.31 H new ATOM 0 HG3 ARG A 57 8.192 -4.007 1.096 1.00 42.31 H new ATOM 0 HD2 ARG A 57 10.800 -4.696 -0.333 1.00 64.31 H new ATOM 0 HD3 ARG A 57 10.644 -3.578 1.008 1.00 64.31 H new ATOM 0 HE ARG A 57 9.901 -6.483 1.275 1.00 71.54 H new ATOM 0 HH11 ARG A 57 11.644 -3.635 2.492 1.00 53.25 H new ATOM 0 HH12 ARG A 57 12.179 -4.465 3.958 1.00 53.25 H new ATOM 0 HH21 ARG A 57 10.531 -7.481 3.176 1.00 2.13 H new ATOM 0 HH22 ARG A 57 11.551 -6.629 4.341 1.00 2.13 H new ATOM 935 N THR A 58 5.060 -3.562 -0.495 1.00 52.14 N ATOM 936 CA THR A 58 4.422 -2.351 -1.021 1.00 73.51 C ATOM 937 C THR A 58 5.013 -1.116 -0.341 1.00 31.23 C ATOM 938 O THR A 58 5.078 -1.063 0.886 1.00 12.04 O ATOM 939 CB THR A 58 2.884 -2.378 -0.782 1.00 4.34 C ATOM 940 OG1 THR A 58 2.378 -3.664 -1.140 1.00 53.44 O ATOM 941 CG2 THR A 58 2.157 -1.299 -1.607 1.00 45.23 C ATOM 0 H THR A 58 4.733 -3.829 0.433 1.00 52.14 H new ATOM 0 HA THR A 58 4.608 -2.311 -2.094 1.00 73.51 H new ATOM 0 HB THR A 58 2.703 -2.172 0.273 1.00 4.34 H new ATOM 0 HG1 THR A 58 1.399 -3.651 -1.106 1.00 53.44 H new ATOM 0 HG21 THR A 58 1.086 -1.352 -1.412 1.00 45.23 H new ATOM 0 HG22 THR A 58 2.529 -0.314 -1.326 1.00 45.23 H new ATOM 0 HG23 THR A 58 2.341 -1.467 -2.668 1.00 45.23 H new ATOM 949 N SER A 59 5.425 -0.131 -1.139 1.00 51.50 N ATOM 950 CA SER A 59 5.982 1.127 -0.650 1.00 15.01 C ATOM 951 C SER A 59 5.189 2.273 -1.314 1.00 63.41 C ATOM 952 O SER A 59 5.161 2.376 -2.545 1.00 14.22 O ATOM 953 CB SER A 59 7.498 1.170 -0.991 1.00 53.34 C ATOM 954 OG SER A 59 8.185 2.128 -0.212 1.00 53.23 O ATOM 0 H SER A 59 5.380 -0.187 -2.156 1.00 51.50 H new ATOM 0 HA SER A 59 5.894 1.228 0.432 1.00 15.01 H new ATOM 0 HB2 SER A 59 7.936 0.186 -0.825 1.00 53.34 H new ATOM 0 HB3 SER A 59 7.626 1.402 -2.048 1.00 53.34 H new ATOM 0 HG SER A 59 8.413 1.739 0.658 1.00 53.23 H new ATOM 960 N ILE A 60 4.522 3.109 -0.496 1.00 24.53 N ATOM 961 CA ILE A 60 3.614 4.173 -0.973 1.00 14.14 C ATOM 962 C ILE A 60 4.201 5.558 -0.642 1.00 60.21 C ATOM 963 O ILE A 60 4.611 5.796 0.503 1.00 74.12 O ATOM 964 CB ILE A 60 2.178 4.051 -0.326 1.00 22.02 C ATOM 965 CG1 ILE A 60 1.430 2.765 -0.810 1.00 60.32 C ATOM 966 CG2 ILE A 60 1.329 5.316 -0.588 1.00 24.51 C ATOM 967 CD1 ILE A 60 -0.011 2.648 -0.311 1.00 24.02 C ATOM 0 H ILE A 60 4.597 3.066 0.520 1.00 24.53 H new ATOM 0 HA ILE A 60 3.515 4.057 -2.052 1.00 14.14 H new ATOM 0 HB ILE A 60 2.321 3.962 0.751 1.00 22.02 H new ATOM 0 HG12 ILE A 60 1.427 2.750 -1.900 1.00 60.32 H new ATOM 0 HG13 ILE A 60 1.988 1.889 -0.480 1.00 60.32 H new ATOM 0 HG21 ILE A 60 0.348 5.197 -0.129 1.00 24.51 H new ATOM 0 HG22 ILE A 60 1.828 6.185 -0.158 1.00 24.51 H new ATOM 0 HG23 ILE A 60 1.212 5.460 -1.662 1.00 24.51 H new ATOM 0 HD11 ILE A 60 -0.455 1.729 -0.693 1.00 24.02 H new ATOM 0 HD12 ILE A 60 -0.018 2.629 0.779 1.00 24.02 H new ATOM 0 HD13 ILE A 60 -0.588 3.503 -0.663 1.00 24.02 H new ATOM 979 N THR A 61 4.201 6.460 -1.646 1.00 44.05 N ATOM 980 CA THR A 61 4.670 7.848 -1.515 1.00 52.11 C ATOM 981 C THR A 61 3.961 8.605 -0.365 1.00 23.02 C ATOM 982 O THR A 61 2.732 8.736 -0.349 1.00 1.32 O ATOM 983 CB THR A 61 4.442 8.625 -2.852 1.00 2.14 C ATOM 984 OG1 THR A 61 5.138 7.966 -3.919 1.00 42.42 O ATOM 985 CG2 THR A 61 4.893 10.102 -2.776 1.00 44.01 C ATOM 0 H THR A 61 3.869 6.237 -2.584 1.00 44.05 H new ATOM 0 HA THR A 61 5.734 7.799 -1.282 1.00 52.11 H new ATOM 0 HB THR A 61 3.368 8.627 -3.039 1.00 2.14 H new ATOM 0 HG1 THR A 61 5.266 8.592 -4.662 1.00 42.42 H new ATOM 0 HG21 THR A 61 4.709 10.588 -3.734 1.00 44.01 H new ATOM 0 HG22 THR A 61 4.331 10.614 -1.995 1.00 44.01 H new ATOM 0 HG23 THR A 61 5.957 10.146 -2.545 1.00 44.01 H new ATOM 993 N ALA A 62 4.766 9.059 0.594 1.00 13.32 N ATOM 994 CA ALA A 62 4.373 10.012 1.629 1.00 4.13 C ATOM 995 C ALA A 62 5.446 11.114 1.670 1.00 42.14 C ATOM 996 O ALA A 62 6.616 10.854 1.350 1.00 60.21 O ATOM 997 CB ALA A 62 4.229 9.303 2.984 1.00 64.11 C ATOM 0 H ALA A 62 5.739 8.764 0.674 1.00 13.32 H new ATOM 0 HA ALA A 62 3.402 10.455 1.406 1.00 4.13 H new ATOM 0 HB1 ALA A 62 3.936 10.027 3.744 1.00 64.11 H new ATOM 0 HB2 ALA A 62 3.467 8.527 2.909 1.00 64.11 H new ATOM 0 HB3 ALA A 62 5.181 8.851 3.261 1.00 64.11 H new ATOM 1003 N ARG A 63 5.045 12.355 1.978 1.00 52.12 N ATOM 1004 CA ARG A 63 6.000 13.467 2.197 1.00 24.21 C ATOM 1005 C ARG A 63 6.195 13.687 3.702 1.00 3.14 C ATOM 1006 O ARG A 63 7.235 14.193 4.145 1.00 62.13 O ATOM 1007 CB ARG A 63 5.509 14.785 1.526 1.00 34.22 C ATOM 1008 CG ARG A 63 5.118 14.670 0.028 1.00 72.41 C ATOM 1009 CD ARG A 63 6.191 13.974 -0.821 1.00 64.11 C ATOM 1010 NE ARG A 63 7.529 14.592 -0.674 1.00 70.22 N ATOM 1011 CZ ARG A 63 8.675 13.909 -0.465 1.00 32.02 C ATOM 1012 NH1 ARG A 63 8.667 12.581 -0.371 1.00 54.34 N ATOM 1013 NH2 ARG A 63 9.812 14.558 -0.316 1.00 74.31 N ATOM 0 H ARG A 63 4.066 12.621 2.083 1.00 52.12 H new ATOM 0 HA ARG A 63 6.950 13.194 1.737 1.00 24.21 H new ATOM 0 HB2 ARG A 63 4.647 15.155 2.081 1.00 34.22 H new ATOM 0 HB3 ARG A 63 6.294 15.535 1.621 1.00 34.22 H new ATOM 0 HG2 ARG A 63 4.182 14.118 -0.056 1.00 72.41 H new ATOM 0 HG3 ARG A 63 4.937 15.668 -0.372 1.00 72.41 H new ATOM 0 HD2 ARG A 63 6.248 12.923 -0.537 1.00 64.11 H new ATOM 0 HD3 ARG A 63 5.895 14.005 -1.870 1.00 64.11 H new ATOM 0 HE ARG A 63 7.589 15.608 -0.735 1.00 70.22 H new ATOM 0 HH11 ARG A 63 7.789 12.069 -0.457 1.00 54.34 H new ATOM 0 HH12 ARG A 63 9.539 12.076 -0.213 1.00 54.34 H new ATOM 0 HH21 ARG A 63 9.827 15.577 -0.358 1.00 74.31 H new ATOM 0 HH22 ARG A 63 10.677 14.041 -0.158 1.00 74.31 H new ATOM 1027 N THR A 64 5.157 13.321 4.472 1.00 24.12 N ATOM 1028 CA THR A 64 5.104 13.471 5.931 1.00 32.33 C ATOM 1029 C THR A 64 4.662 12.135 6.559 1.00 44.04 C ATOM 1030 O THR A 64 4.042 11.295 5.879 1.00 3.20 O ATOM 1031 CB THR A 64 4.106 14.609 6.340 1.00 21.14 C ATOM 1032 OG1 THR A 64 2.758 14.213 6.045 1.00 0.15 O ATOM 1033 CG2 THR A 64 4.404 15.940 5.608 1.00 22.11 C ATOM 0 H THR A 64 4.311 12.902 4.085 1.00 24.12 H new ATOM 0 HA THR A 64 6.095 13.743 6.295 1.00 32.33 H new ATOM 0 HB THR A 64 4.231 14.771 7.411 1.00 21.14 H new ATOM 0 HG1 THR A 64 2.618 14.225 5.075 1.00 0.15 H new ATOM 0 HG21 THR A 64 3.687 16.698 5.924 1.00 22.11 H new ATOM 0 HG22 THR A 64 5.413 16.272 5.852 1.00 22.11 H new ATOM 0 HG23 THR A 64 4.322 15.789 4.532 1.00 22.11 H new ATOM 1041 N LYS A 65 4.941 11.959 7.863 1.00 15.23 N ATOM 1042 CA LYS A 65 4.691 10.684 8.566 1.00 13.31 C ATOM 1043 C LYS A 65 3.181 10.452 8.820 1.00 3.41 C ATOM 1044 O LYS A 65 2.759 9.307 8.973 1.00 34.34 O ATOM 1045 CB LYS A 65 5.525 10.607 9.882 1.00 14.02 C ATOM 1046 CG LYS A 65 5.237 11.700 10.939 1.00 0.43 C ATOM 1047 CD LYS A 65 6.251 11.670 12.114 1.00 24.51 C ATOM 1048 CE LYS A 65 6.222 10.363 12.938 1.00 71.11 C ATOM 1049 NZ LYS A 65 5.003 10.247 13.775 1.00 73.15 N ATOM 0 H LYS A 65 5.342 12.686 8.455 1.00 15.23 H new ATOM 0 HA LYS A 65 5.022 9.873 7.917 1.00 13.31 H new ATOM 0 HB2 LYS A 65 5.352 9.633 10.340 1.00 14.02 H new ATOM 0 HB3 LYS A 65 6.582 10.653 9.621 1.00 14.02 H new ATOM 0 HG2 LYS A 65 5.267 12.680 10.462 1.00 0.43 H new ATOM 0 HG3 LYS A 65 4.228 11.567 11.330 1.00 0.43 H new ATOM 0 HD2 LYS A 65 7.256 11.814 11.717 1.00 24.51 H new ATOM 0 HD3 LYS A 65 6.047 12.510 12.778 1.00 24.51 H new ATOM 0 HE2 LYS A 65 6.277 9.510 12.262 1.00 71.11 H new ATOM 0 HE3 LYS A 65 7.104 10.321 13.578 1.00 71.11 H new ATOM 0 HZ1 LYS A 65 5.031 9.354 14.308 1.00 73.15 H new ATOM 0 HZ2 LYS A 65 4.961 11.046 14.440 1.00 73.15 H new ATOM 0 HZ3 LYS A 65 4.161 10.260 13.165 1.00 73.15 H new ATOM 1063 N LYS A 66 2.372 11.541 8.846 1.00 23.41 N ATOM 1064 CA LYS A 66 0.895 11.445 8.991 1.00 64.42 C ATOM 1065 C LYS A 66 0.246 10.871 7.717 1.00 20.03 C ATOM 1066 O LYS A 66 -0.753 10.141 7.798 1.00 15.55 O ATOM 1067 CB LYS A 66 0.269 12.820 9.358 1.00 53.30 C ATOM 1068 CG LYS A 66 0.585 13.296 10.794 1.00 41.40 C ATOM 1069 CD LYS A 66 0.037 12.327 11.880 1.00 64.21 C ATOM 1070 CE LYS A 66 0.249 12.856 13.310 1.00 32.35 C ATOM 1071 NZ LYS A 66 -0.526 14.097 13.562 1.00 62.55 N ATOM 0 H LYS A 66 2.717 12.498 8.768 1.00 23.41 H new ATOM 0 HA LYS A 66 0.693 10.757 9.812 1.00 64.42 H new ATOM 0 HB2 LYS A 66 0.626 13.569 8.652 1.00 53.30 H new ATOM 0 HB3 LYS A 66 -0.813 12.758 9.237 1.00 53.30 H new ATOM 0 HG2 LYS A 66 1.664 13.394 10.911 1.00 41.40 H new ATOM 0 HG3 LYS A 66 0.157 14.287 10.947 1.00 41.40 H new ATOM 0 HD2 LYS A 66 -1.027 12.164 11.712 1.00 64.21 H new ATOM 0 HD3 LYS A 66 0.528 11.359 11.779 1.00 64.21 H new ATOM 0 HE2 LYS A 66 -0.047 12.091 14.028 1.00 32.35 H new ATOM 0 HE3 LYS A 66 1.309 13.051 13.471 1.00 32.35 H new ATOM 0 HZ1 LYS A 66 -0.493 14.327 14.576 1.00 62.55 H new ATOM 0 HZ2 LYS A 66 -0.114 14.880 13.016 1.00 62.55 H new ATOM 0 HZ3 LYS A 66 -1.514 13.954 13.271 1.00 62.55 H new ATOM 1085 N GLU A 67 0.825 11.215 6.543 1.00 12.41 N ATOM 1086 CA GLU A 67 0.424 10.619 5.250 1.00 2.43 C ATOM 1087 C GLU A 67 0.762 9.124 5.249 1.00 1.51 C ATOM 1088 O GLU A 67 -0.057 8.289 4.852 1.00 55.31 O ATOM 1089 CB GLU A 67 1.113 11.340 4.058 1.00 42.24 C ATOM 1090 CG GLU A 67 0.697 12.814 3.904 1.00 33.41 C ATOM 1091 CD GLU A 67 1.472 13.558 2.799 1.00 22.13 C ATOM 1092 OE1 GLU A 67 2.653 13.866 3.018 1.00 64.14 O ATOM 1093 OE2 GLU A 67 0.907 13.845 1.727 1.00 43.50 O ATOM 0 H GLU A 67 1.573 11.904 6.466 1.00 12.41 H new ATOM 0 HA GLU A 67 -0.652 10.744 5.127 1.00 2.43 H new ATOM 0 HB2 GLU A 67 2.194 11.288 4.189 1.00 42.24 H new ATOM 0 HB3 GLU A 67 0.878 10.807 3.137 1.00 42.24 H new ATOM 0 HG2 GLU A 67 -0.370 12.861 3.684 1.00 33.41 H new ATOM 0 HG3 GLU A 67 0.850 13.328 4.853 1.00 33.41 H new ATOM 1100 N ALA A 68 1.965 8.810 5.764 1.00 72.51 N ATOM 1101 CA ALA A 68 2.469 7.436 5.861 1.00 22.33 C ATOM 1102 C ALA A 68 1.589 6.565 6.794 1.00 61.02 C ATOM 1103 O ALA A 68 1.510 5.352 6.604 1.00 60.15 O ATOM 1104 CB ALA A 68 3.938 7.451 6.331 1.00 13.15 C ATOM 0 H ALA A 68 2.614 9.509 6.125 1.00 72.51 H new ATOM 0 HA ALA A 68 2.421 6.983 4.871 1.00 22.33 H new ATOM 0 HB1 ALA A 68 4.308 6.428 6.402 1.00 13.15 H new ATOM 0 HB2 ALA A 68 4.543 8.007 5.615 1.00 13.15 H new ATOM 0 HB3 ALA A 68 4.002 7.928 7.309 1.00 13.15 H new ATOM 1110 N GLU A 69 0.923 7.200 7.793 1.00 11.20 N ATOM 1111 CA GLU A 69 0.008 6.498 8.720 1.00 72.43 C ATOM 1112 C GLU A 69 -1.281 6.048 8.019 1.00 63.42 C ATOM 1113 O GLU A 69 -1.660 4.877 8.109 1.00 64.52 O ATOM 1114 CB GLU A 69 -0.367 7.375 9.948 1.00 54.14 C ATOM 1115 CG GLU A 69 0.789 7.665 10.913 1.00 52.01 C ATOM 1116 CD GLU A 69 1.453 6.401 11.502 1.00 53.01 C ATOM 1117 OE1 GLU A 69 0.800 5.682 12.295 1.00 14.42 O ATOM 1118 OE2 GLU A 69 2.633 6.124 11.191 1.00 2.33 O ATOM 0 H GLU A 69 1.006 8.200 7.974 1.00 11.20 H new ATOM 0 HA GLU A 69 0.553 5.620 9.066 1.00 72.43 H new ATOM 0 HB2 GLU A 69 -0.768 8.323 9.590 1.00 54.14 H new ATOM 0 HB3 GLU A 69 -1.166 6.879 10.500 1.00 54.14 H new ATOM 0 HG2 GLU A 69 1.546 8.250 10.390 1.00 52.01 H new ATOM 0 HG3 GLU A 69 0.418 8.282 11.731 1.00 52.01 H new ATOM 1125 N LYS A 70 -1.964 6.997 7.349 1.00 10.42 N ATOM 1126 CA LYS A 70 -3.296 6.749 6.765 1.00 63.23 C ATOM 1127 C LYS A 70 -3.240 5.791 5.557 1.00 24.40 C ATOM 1128 O LYS A 70 -4.171 5.016 5.360 1.00 25.03 O ATOM 1129 CB LYS A 70 -4.027 8.086 6.431 1.00 30.32 C ATOM 1130 CG LYS A 70 -3.225 9.109 5.600 1.00 3.34 C ATOM 1131 CD LYS A 70 -4.008 10.435 5.412 1.00 1.24 C ATOM 1132 CE LYS A 70 -3.169 11.568 4.797 1.00 43.54 C ATOM 1133 NZ LYS A 70 -2.627 11.213 3.466 1.00 1.41 N ATOM 0 H LYS A 70 -1.614 7.943 7.199 1.00 10.42 H new ATOM 0 HA LYS A 70 -3.890 6.239 7.524 1.00 63.23 H new ATOM 0 HB2 LYS A 70 -4.944 7.850 5.892 1.00 30.32 H new ATOM 0 HB3 LYS A 70 -4.321 8.560 7.368 1.00 30.32 H new ATOM 0 HG2 LYS A 70 -2.275 9.314 6.094 1.00 3.34 H new ATOM 0 HG3 LYS A 70 -2.992 8.683 4.624 1.00 3.34 H new ATOM 0 HD2 LYS A 70 -4.873 10.249 4.775 1.00 1.24 H new ATOM 0 HD3 LYS A 70 -4.389 10.762 6.380 1.00 1.24 H new ATOM 0 HE2 LYS A 70 -3.783 12.464 4.708 1.00 43.54 H new ATOM 0 HE3 LYS A 70 -2.345 11.811 5.468 1.00 43.54 H new ATOM 0 HZ1 LYS A 70 -2.084 12.015 3.087 1.00 1.41 H new ATOM 0 HZ2 LYS A 70 -2.005 10.384 3.554 1.00 1.41 H new ATOM 0 HZ3 LYS A 70 -3.411 10.990 2.820 1.00 1.41 H new ATOM 1147 N PHE A 71 -2.136 5.828 4.774 1.00 61.42 N ATOM 1148 CA PHE A 71 -1.922 4.878 3.649 1.00 54.21 C ATOM 1149 C PHE A 71 -1.496 3.499 4.165 1.00 73.12 C ATOM 1150 O PHE A 71 -1.763 2.484 3.513 1.00 60.24 O ATOM 1151 CB PHE A 71 -0.888 5.422 2.630 1.00 20.22 C ATOM 1152 CG PHE A 71 -1.442 6.538 1.749 1.00 12.22 C ATOM 1153 CD1 PHE A 71 -1.656 7.793 2.260 1.00 1.32 C ATOM 1154 CD2 PHE A 71 -1.767 6.330 0.424 1.00 52.32 C ATOM 1155 CE1 PHE A 71 -2.163 8.801 1.485 1.00 44.24 C ATOM 1156 CE2 PHE A 71 -2.274 7.345 -0.348 1.00 24.13 C ATOM 1157 CZ PHE A 71 -2.470 8.574 0.182 1.00 65.32 C ATOM 0 H PHE A 71 -1.380 6.502 4.898 1.00 61.42 H new ATOM 0 HA PHE A 71 -2.875 4.771 3.131 1.00 54.21 H new ATOM 0 HB2 PHE A 71 -0.016 5.793 3.169 1.00 20.22 H new ATOM 0 HB3 PHE A 71 -0.547 4.603 1.996 1.00 20.22 H new ATOM 0 HD1 PHE A 71 -1.420 7.990 3.295 1.00 1.32 H new ATOM 0 HD2 PHE A 71 -1.620 5.353 -0.012 1.00 52.32 H new ATOM 0 HE1 PHE A 71 -2.319 9.781 1.912 1.00 44.24 H new ATOM 0 HE2 PHE A 71 -2.518 7.162 -1.384 1.00 24.13 H new ATOM 0 HZ PHE A 71 -2.869 9.371 -0.428 1.00 65.32 H new ATOM 1167 N ALA A 72 -0.827 3.474 5.334 1.00 53.30 N ATOM 1168 CA ALA A 72 -0.510 2.221 6.031 1.00 62.52 C ATOM 1169 C ALA A 72 -1.794 1.557 6.510 1.00 54.13 C ATOM 1170 O ALA A 72 -1.928 0.360 6.420 1.00 41.41 O ATOM 1171 CB ALA A 72 0.410 2.459 7.224 1.00 73.24 C ATOM 0 H ALA A 72 -0.497 4.312 5.813 1.00 53.30 H new ATOM 0 HA ALA A 72 0.007 1.571 5.325 1.00 62.52 H new ATOM 0 HB1 ALA A 72 0.622 1.509 7.715 1.00 73.24 H new ATOM 0 HB2 ALA A 72 1.343 2.907 6.881 1.00 73.24 H new ATOM 0 HB3 ALA A 72 -0.077 3.131 7.930 1.00 73.24 H new ATOM 1177 N ALA A 73 -2.727 2.370 7.030 1.00 42.33 N ATOM 1178 CA ALA A 73 -4.030 1.893 7.509 1.00 33.33 C ATOM 1179 C ALA A 73 -4.837 1.282 6.353 1.00 55.24 C ATOM 1180 O ALA A 73 -5.486 0.255 6.529 1.00 74.44 O ATOM 1181 CB ALA A 73 -4.788 3.044 8.183 1.00 4.34 C ATOM 0 H ALA A 73 -2.597 3.377 7.129 1.00 42.33 H new ATOM 0 HA ALA A 73 -3.877 1.108 8.250 1.00 33.33 H new ATOM 0 HB1 ALA A 73 -5.755 2.685 8.537 1.00 4.34 H new ATOM 0 HB2 ALA A 73 -4.208 3.417 9.027 1.00 4.34 H new ATOM 0 HB3 ALA A 73 -4.941 3.849 7.464 1.00 4.34 H new ATOM 1187 N ILE A 74 -4.751 1.930 5.170 1.00 32.30 N ATOM 1188 CA ILE A 74 -5.358 1.444 3.914 1.00 24.12 C ATOM 1189 C ILE A 74 -4.738 0.083 3.500 1.00 31.21 C ATOM 1190 O ILE A 74 -5.465 -0.835 3.112 1.00 74.43 O ATOM 1191 CB ILE A 74 -5.210 2.537 2.769 1.00 74.35 C ATOM 1192 CG1 ILE A 74 -6.033 3.820 3.142 1.00 21.10 C ATOM 1193 CG2 ILE A 74 -5.655 1.986 1.391 1.00 12.34 C ATOM 1194 CD1 ILE A 74 -5.785 5.044 2.271 1.00 21.32 C ATOM 0 H ILE A 74 -4.253 2.814 5.061 1.00 32.30 H new ATOM 0 HA ILE A 74 -6.423 1.280 4.075 1.00 24.12 H new ATOM 0 HB ILE A 74 -4.155 2.800 2.689 1.00 74.35 H new ATOM 0 HG12 ILE A 74 -7.094 3.574 3.096 1.00 21.10 H new ATOM 0 HG13 ILE A 74 -5.811 4.083 4.176 1.00 21.10 H new ATOM 0 HG21 ILE A 74 -5.539 2.762 0.634 1.00 12.34 H new ATOM 0 HG22 ILE A 74 -5.039 1.127 1.127 1.00 12.34 H new ATOM 0 HG23 ILE A 74 -6.700 1.681 1.441 1.00 12.34 H new ATOM 0 HD11 ILE A 74 -6.406 5.870 2.619 1.00 21.32 H new ATOM 0 HD12 ILE A 74 -4.735 5.328 2.333 1.00 21.32 H new ATOM 0 HD13 ILE A 74 -6.037 4.811 1.236 1.00 21.32 H new ATOM 1206 N LEU A 75 -3.399 -0.032 3.627 1.00 12.15 N ATOM 1207 CA LEU A 75 -2.643 -1.272 3.324 1.00 52.04 C ATOM 1208 C LEU A 75 -3.056 -2.431 4.256 1.00 54.22 C ATOM 1209 O LEU A 75 -3.526 -3.462 3.789 1.00 1.24 O ATOM 1210 CB LEU A 75 -1.108 -0.995 3.419 1.00 61.43 C ATOM 1211 CG LEU A 75 -0.482 -0.286 2.173 1.00 54.13 C ATOM 1212 CD1 LEU A 75 0.900 0.322 2.471 1.00 13.13 C ATOM 1213 CD2 LEU A 75 -0.390 -1.272 0.992 1.00 72.12 C ATOM 0 H LEU A 75 -2.806 0.735 3.944 1.00 12.15 H new ATOM 0 HA LEU A 75 -2.883 -1.579 2.306 1.00 52.04 H new ATOM 0 HB2 LEU A 75 -0.919 -0.381 4.300 1.00 61.43 H new ATOM 0 HB3 LEU A 75 -0.593 -1.943 3.575 1.00 61.43 H new ATOM 0 HG LEU A 75 -1.142 0.540 1.908 1.00 54.13 H new ATOM 0 HD11 LEU A 75 1.288 0.801 1.572 1.00 13.13 H new ATOM 0 HD12 LEU A 75 0.808 1.062 3.266 1.00 13.13 H new ATOM 0 HD13 LEU A 75 1.584 -0.466 2.786 1.00 13.13 H new ATOM 0 HD21 LEU A 75 0.047 -0.768 0.130 1.00 72.12 H new ATOM 0 HD22 LEU A 75 0.236 -2.119 1.273 1.00 72.12 H new ATOM 0 HD23 LEU A 75 -1.388 -1.628 0.736 1.00 72.12 H new ATOM 1225 N ILE A 76 -2.914 -2.210 5.575 1.00 23.24 N ATOM 1226 CA ILE A 76 -3.169 -3.208 6.640 1.00 30.42 C ATOM 1227 C ILE A 76 -4.568 -3.864 6.489 1.00 3.15 C ATOM 1228 O ILE A 76 -4.705 -5.056 6.728 1.00 24.23 O ATOM 1229 CB ILE A 76 -2.971 -2.536 8.087 1.00 65.52 C ATOM 1230 CG1 ILE A 76 -1.478 -2.627 8.583 1.00 5.23 C ATOM 1231 CG2 ILE A 76 -3.921 -3.117 9.181 1.00 54.42 C ATOM 1232 CD1 ILE A 76 -0.419 -2.048 7.667 1.00 11.34 C ATOM 0 H ILE A 76 -2.611 -1.309 5.944 1.00 23.24 H new ATOM 0 HA ILE A 76 -2.441 -4.012 6.539 1.00 30.42 H new ATOM 0 HB ILE A 76 -3.237 -1.489 7.944 1.00 65.52 H new ATOM 0 HG12 ILE A 76 -1.408 -2.121 9.546 1.00 5.23 H new ATOM 0 HG13 ILE A 76 -1.241 -3.677 8.756 1.00 5.23 H new ATOM 0 HG21 ILE A 76 -3.731 -2.617 10.131 1.00 54.42 H new ATOM 0 HG22 ILE A 76 -4.958 -2.955 8.886 1.00 54.42 H new ATOM 0 HG23 ILE A 76 -3.738 -4.186 9.291 1.00 54.42 H new ATOM 0 HD11 ILE A 76 0.564 -2.173 8.122 1.00 11.34 H new ATOM 0 HD12 ILE A 76 -0.444 -2.567 6.709 1.00 11.34 H new ATOM 0 HD13 ILE A 76 -0.614 -0.987 7.510 1.00 11.34 H new ATOM 1244 N LYS A 77 -5.574 -3.068 6.059 1.00 22.03 N ATOM 1245 CA LYS A 77 -6.959 -3.551 5.828 1.00 1.11 C ATOM 1246 C LYS A 77 -7.022 -4.626 4.723 1.00 51.14 C ATOM 1247 O LYS A 77 -7.647 -5.681 4.896 1.00 14.44 O ATOM 1248 CB LYS A 77 -7.885 -2.358 5.467 1.00 14.11 C ATOM 1249 CG LYS A 77 -8.134 -1.375 6.634 1.00 12.11 C ATOM 1250 CD LYS A 77 -8.988 -0.156 6.217 1.00 32.42 C ATOM 1251 CE LYS A 77 -10.386 -0.547 5.700 1.00 43.35 C ATOM 1252 NZ LYS A 77 -11.203 0.639 5.341 1.00 23.41 N ATOM 0 H LYS A 77 -5.451 -2.075 5.862 1.00 22.03 H new ATOM 0 HA LYS A 77 -7.304 -4.014 6.753 1.00 1.11 H new ATOM 0 HB2 LYS A 77 -7.446 -1.811 4.633 1.00 14.11 H new ATOM 0 HB3 LYS A 77 -8.843 -2.747 5.123 1.00 14.11 H new ATOM 0 HG2 LYS A 77 -8.633 -1.902 7.447 1.00 12.11 H new ATOM 0 HG3 LYS A 77 -7.176 -1.027 7.021 1.00 12.11 H new ATOM 0 HD2 LYS A 77 -9.097 0.513 7.070 1.00 32.42 H new ATOM 0 HD3 LYS A 77 -8.462 0.400 5.441 1.00 32.42 H new ATOM 0 HE2 LYS A 77 -10.282 -1.192 4.827 1.00 43.35 H new ATOM 0 HE3 LYS A 77 -10.905 -1.126 6.464 1.00 43.35 H new ATOM 0 HZ1 LYS A 77 -12.134 0.328 4.999 1.00 23.41 H new ATOM 0 HZ2 LYS A 77 -11.326 1.242 6.179 1.00 23.41 H new ATOM 0 HZ3 LYS A 77 -10.722 1.179 4.593 1.00 23.41 H new ATOM 1266 N VAL A 78 -6.377 -4.325 3.590 1.00 24.20 N ATOM 1267 CA VAL A 78 -6.346 -5.190 2.391 1.00 1.22 C ATOM 1268 C VAL A 78 -5.620 -6.511 2.700 1.00 41.35 C ATOM 1269 O VAL A 78 -6.117 -7.612 2.440 1.00 34.13 O ATOM 1270 CB VAL A 78 -5.591 -4.450 1.225 1.00 20.02 C ATOM 1271 CG1 VAL A 78 -5.533 -5.282 -0.067 1.00 13.53 C ATOM 1272 CG2 VAL A 78 -6.196 -3.064 0.962 1.00 14.00 C ATOM 0 H VAL A 78 -5.851 -3.459 3.472 1.00 24.20 H new ATOM 0 HA VAL A 78 -7.372 -5.407 2.093 1.00 1.22 H new ATOM 0 HB VAL A 78 -4.562 -4.317 1.558 1.00 20.02 H new ATOM 0 HG11 VAL A 78 -5.001 -4.722 -0.837 1.00 13.53 H new ATOM 0 HG12 VAL A 78 -5.011 -6.219 0.127 1.00 13.53 H new ATOM 0 HG13 VAL A 78 -6.546 -5.495 -0.408 1.00 13.53 H new ATOM 0 HG21 VAL A 78 -5.653 -2.578 0.151 1.00 14.00 H new ATOM 0 HG22 VAL A 78 -7.244 -3.172 0.683 1.00 14.00 H new ATOM 0 HG23 VAL A 78 -6.121 -2.457 1.864 1.00 14.00 H new ATOM 1282 N TYR A 79 -4.422 -6.344 3.267 1.00 71.45 N ATOM 1283 CA TYR A 79 -3.482 -7.410 3.582 1.00 25.23 C ATOM 1284 C TYR A 79 -3.949 -8.246 4.788 1.00 63.13 C ATOM 1285 O TYR A 79 -3.447 -9.348 5.004 1.00 62.33 O ATOM 1286 CB TYR A 79 -2.081 -6.766 3.783 1.00 31.32 C ATOM 1287 CG TYR A 79 -1.498 -6.179 2.466 1.00 21.44 C ATOM 1288 CD1 TYR A 79 -2.140 -5.160 1.765 1.00 5.33 C ATOM 1289 CD2 TYR A 79 -0.348 -6.691 1.906 1.00 23.45 C ATOM 1290 CE1 TYR A 79 -1.664 -4.684 0.566 1.00 5.22 C ATOM 1291 CE2 TYR A 79 0.157 -6.211 0.707 1.00 62.13 C ATOM 1292 CZ TYR A 79 -0.519 -5.210 0.033 1.00 31.31 C ATOM 1293 OH TYR A 79 -0.064 -4.753 -1.173 1.00 45.43 O ATOM 0 H TYR A 79 -4.071 -5.422 3.528 1.00 71.45 H new ATOM 0 HA TYR A 79 -3.425 -8.123 2.760 1.00 25.23 H new ATOM 0 HB2 TYR A 79 -2.153 -5.974 4.529 1.00 31.32 H new ATOM 0 HB3 TYR A 79 -1.394 -7.515 4.178 1.00 31.32 H new ATOM 0 HD1 TYR A 79 -3.041 -4.730 2.177 1.00 5.33 H new ATOM 0 HD2 TYR A 79 0.174 -7.488 2.415 1.00 23.45 H new ATOM 0 HE1 TYR A 79 -2.192 -3.898 0.047 1.00 5.22 H new ATOM 0 HE2 TYR A 79 1.072 -6.616 0.302 1.00 62.13 H new ATOM 0 HH TYR A 79 0.123 -5.514 -1.762 1.00 45.43 H new ATOM 1303 N ALA A 80 -4.910 -7.702 5.569 1.00 31.45 N ATOM 1304 CA ALA A 80 -5.584 -8.428 6.671 1.00 71.43 C ATOM 1305 C ALA A 80 -6.375 -9.631 6.132 1.00 44.23 C ATOM 1306 O ALA A 80 -6.490 -10.662 6.804 1.00 54.32 O ATOM 1307 CB ALA A 80 -6.528 -7.488 7.440 1.00 71.33 C ATOM 0 H ALA A 80 -5.241 -6.744 5.453 1.00 31.45 H new ATOM 0 HA ALA A 80 -4.814 -8.792 7.351 1.00 71.43 H new ATOM 0 HB1 ALA A 80 -7.014 -8.039 8.245 1.00 71.33 H new ATOM 0 HB2 ALA A 80 -5.955 -6.661 7.860 1.00 71.33 H new ATOM 0 HB3 ALA A 80 -7.285 -7.097 6.760 1.00 71.33 H new ATOM 1313 N GLU A 81 -6.923 -9.469 4.912 1.00 65.02 N ATOM 1314 CA GLU A 81 -7.671 -10.525 4.207 1.00 52.44 C ATOM 1315 C GLU A 81 -6.723 -11.657 3.758 1.00 3.40 C ATOM 1316 O GLU A 81 -7.143 -12.809 3.620 1.00 32.24 O ATOM 1317 CB GLU A 81 -8.396 -9.914 2.981 1.00 53.30 C ATOM 1318 CG GLU A 81 -9.391 -8.791 3.331 1.00 55.12 C ATOM 1319 CD GLU A 81 -10.006 -8.135 2.087 1.00 40.14 C ATOM 1320 OE1 GLU A 81 -10.873 -8.769 1.442 1.00 23.43 O ATOM 1321 OE2 GLU A 81 -9.609 -7.005 1.727 1.00 70.54 O ATOM 0 H GLU A 81 -6.858 -8.597 4.386 1.00 65.02 H new ATOM 0 HA GLU A 81 -8.409 -10.950 4.888 1.00 52.44 H new ATOM 0 HB2 GLU A 81 -7.650 -9.521 2.290 1.00 53.30 H new ATOM 0 HB3 GLU A 81 -8.930 -10.707 2.456 1.00 53.30 H new ATOM 0 HG2 GLU A 81 -10.188 -9.198 3.953 1.00 55.12 H new ATOM 0 HG3 GLU A 81 -8.881 -8.031 3.923 1.00 55.12 H new ATOM 1328 N LEU A 82 -5.442 -11.301 3.537 1.00 31.33 N ATOM 1329 CA LEU A 82 -4.405 -12.231 3.040 1.00 61.52 C ATOM 1330 C LEU A 82 -3.631 -12.891 4.209 1.00 63.24 C ATOM 1331 O LEU A 82 -3.116 -14.008 4.064 1.00 3.51 O ATOM 1332 CB LEU A 82 -3.412 -11.453 2.125 1.00 71.21 C ATOM 1333 CG LEU A 82 -4.041 -10.697 0.908 1.00 10.42 C ATOM 1334 CD1 LEU A 82 -2.979 -9.895 0.131 1.00 13.21 C ATOM 1335 CD2 LEU A 82 -4.785 -11.669 -0.033 1.00 74.41 C ATOM 0 H LEU A 82 -5.095 -10.356 3.699 1.00 31.33 H new ATOM 0 HA LEU A 82 -4.896 -13.022 2.473 1.00 61.52 H new ATOM 0 HB2 LEU A 82 -2.877 -10.729 2.739 1.00 71.21 H new ATOM 0 HB3 LEU A 82 -2.672 -12.158 1.745 1.00 71.21 H new ATOM 0 HG LEU A 82 -4.768 -9.990 1.309 1.00 10.42 H new ATOM 0 HD11 LEU A 82 -3.451 -9.383 -0.707 1.00 13.21 H new ATOM 0 HD12 LEU A 82 -2.521 -9.161 0.794 1.00 13.21 H new ATOM 0 HD13 LEU A 82 -2.213 -10.574 -0.244 1.00 13.21 H new ATOM 0 HD21 LEU A 82 -5.210 -11.113 -0.868 1.00 74.41 H new ATOM 0 HD22 LEU A 82 -4.086 -12.415 -0.412 1.00 74.41 H new ATOM 0 HD23 LEU A 82 -5.584 -12.167 0.516 1.00 74.41 H new ATOM 1347 N GLY A 83 -3.567 -12.200 5.364 1.00 64.33 N ATOM 1348 CA GLY A 83 -2.695 -12.597 6.481 1.00 3.05 C ATOM 1349 C GLY A 83 -3.442 -13.177 7.675 1.00 41.21 C ATOM 1350 O GLY A 83 -2.902 -14.032 8.379 1.00 42.52 O ATOM 0 H GLY A 83 -4.114 -11.359 5.546 1.00 64.33 H new ATOM 0 HA2 GLY A 83 -1.976 -13.334 6.123 1.00 3.05 H new ATOM 0 HA3 GLY A 83 -2.125 -11.728 6.810 1.00 3.05 H new ATOM 1354 N TYR A 84 -4.681 -12.680 7.910 1.00 72.43 N ATOM 1355 CA TYR A 84 -5.555 -13.099 9.044 1.00 62.23 C ATOM 1356 C TYR A 84 -4.940 -12.749 10.428 1.00 64.34 C ATOM 1357 O TYR A 84 -5.379 -13.263 11.463 1.00 45.33 O ATOM 1358 CB TYR A 84 -5.917 -14.613 8.956 1.00 63.23 C ATOM 1359 CG TYR A 84 -6.844 -14.954 7.783 1.00 74.04 C ATOM 1360 CD1 TYR A 84 -6.344 -15.113 6.488 1.00 44.22 C ATOM 1361 CD2 TYR A 84 -8.225 -15.104 7.970 1.00 43.20 C ATOM 1362 CE1 TYR A 84 -7.179 -15.406 5.434 1.00 12.32 C ATOM 1363 CE2 TYR A 84 -9.062 -15.397 6.913 1.00 33.04 C ATOM 1364 CZ TYR A 84 -8.536 -15.548 5.645 1.00 12.34 C ATOM 1365 OH TYR A 84 -9.369 -15.846 4.587 1.00 10.40 O ATOM 0 H TYR A 84 -5.109 -11.971 7.315 1.00 72.43 H new ATOM 0 HA TYR A 84 -6.478 -12.526 8.953 1.00 62.23 H new ATOM 0 HB2 TYR A 84 -4.999 -15.193 8.863 1.00 63.23 H new ATOM 0 HB3 TYR A 84 -6.395 -14.919 9.887 1.00 63.23 H new ATOM 0 HD1 TYR A 84 -5.284 -15.004 6.311 1.00 44.22 H new ATOM 0 HD2 TYR A 84 -8.642 -14.988 8.960 1.00 43.20 H new ATOM 0 HE1 TYR A 84 -6.772 -15.525 4.441 1.00 12.32 H new ATOM 0 HE2 TYR A 84 -10.124 -15.508 7.076 1.00 33.04 H new ATOM 0 HH TYR A 84 -10.293 -15.913 4.907 1.00 10.40 H new ATOM 1375 N ASN A 85 -3.952 -11.839 10.427 1.00 53.15 N ATOM 1376 CA ASN A 85 -3.209 -11.409 11.638 1.00 61.20 C ATOM 1377 C ASN A 85 -2.907 -9.907 11.562 1.00 71.13 C ATOM 1378 O ASN A 85 -3.354 -9.216 10.631 1.00 72.34 O ATOM 1379 CB ASN A 85 -1.870 -12.204 11.787 1.00 70.01 C ATOM 1380 CG ASN A 85 -2.068 -13.652 12.226 1.00 23.53 C ATOM 1381 OD1 ASN A 85 -2.226 -14.551 11.403 1.00 31.34 O ATOM 1382 ND2 ASN A 85 -2.055 -13.888 13.530 1.00 70.41 N ATOM 0 H ASN A 85 -3.638 -11.371 9.577 1.00 53.15 H new ATOM 0 HA ASN A 85 -3.833 -11.614 12.508 1.00 61.20 H new ATOM 0 HB2 ASN A 85 -1.341 -12.191 10.834 1.00 70.01 H new ATOM 0 HB3 ASN A 85 -1.234 -11.696 12.512 1.00 70.01 H new ATOM 0 HD21 ASN A 85 -2.178 -14.839 13.877 1.00 70.41 H new ATOM 0 HD22 ASN A 85 -1.921 -13.119 14.186 1.00 70.41 H new ATOM 1389 N ASP A 86 -2.152 -9.418 12.572 1.00 70.11 N ATOM 1390 CA ASP A 86 -1.546 -8.068 12.569 1.00 31.01 C ATOM 1391 C ASP A 86 -0.616 -7.949 11.368 1.00 64.03 C ATOM 1392 O ASP A 86 0.204 -8.821 11.189 1.00 73.20 O ATOM 1393 CB ASP A 86 -0.687 -7.861 13.837 1.00 21.54 C ATOM 1394 CG ASP A 86 -1.462 -8.041 15.142 1.00 1.31 C ATOM 1395 OD1 ASP A 86 -2.037 -7.058 15.660 1.00 55.24 O ATOM 1396 OD2 ASP A 86 -1.498 -9.172 15.669 1.00 75.41 O ATOM 0 H ASP A 86 -1.945 -9.952 13.416 1.00 70.11 H new ATOM 0 HA ASP A 86 -2.346 -7.328 12.533 1.00 31.01 H new ATOM 0 HB2 ASP A 86 0.146 -8.564 13.820 1.00 21.54 H new ATOM 0 HB3 ASP A 86 -0.258 -6.859 13.815 1.00 21.54 H new ATOM 1401 N ILE A 87 -0.738 -6.889 10.568 1.00 61.41 N ATOM 1402 CA ILE A 87 0.088 -6.697 9.350 1.00 55.13 C ATOM 1403 C ILE A 87 1.252 -5.723 9.647 1.00 32.24 C ATOM 1404 O ILE A 87 1.085 -4.745 10.393 1.00 52.53 O ATOM 1405 CB ILE A 87 -0.805 -6.217 8.141 1.00 2.22 C ATOM 1406 CG1 ILE A 87 -1.985 -7.224 7.894 1.00 31.43 C ATOM 1407 CG2 ILE A 87 0.020 -5.992 6.842 1.00 44.33 C ATOM 1408 CD1 ILE A 87 -1.557 -8.656 7.607 1.00 64.51 C ATOM 0 H ILE A 87 -1.406 -6.136 10.735 1.00 61.41 H new ATOM 0 HA ILE A 87 0.527 -7.651 9.058 1.00 55.13 H new ATOM 0 HB ILE A 87 -1.223 -5.248 8.415 1.00 2.22 H new ATOM 0 HG12 ILE A 87 -2.633 -7.223 8.770 1.00 31.43 H new ATOM 0 HG13 ILE A 87 -2.581 -6.864 7.056 1.00 31.43 H new ATOM 0 HG21 ILE A 87 -0.643 -5.663 6.042 1.00 44.33 H new ATOM 0 HG22 ILE A 87 0.779 -5.231 7.020 1.00 44.33 H new ATOM 0 HG23 ILE A 87 0.503 -6.925 6.552 1.00 44.33 H new ATOM 0 HD11 ILE A 87 -2.440 -9.275 7.450 1.00 64.51 H new ATOM 0 HD12 ILE A 87 -0.935 -8.677 6.712 1.00 64.51 H new ATOM 0 HD13 ILE A 87 -0.988 -9.042 8.453 1.00 64.51 H new ATOM 1420 N ASN A 88 2.422 -5.994 9.035 1.00 1.13 N ATOM 1421 CA ASN A 88 3.701 -5.350 9.383 1.00 3.44 C ATOM 1422 C ASN A 88 3.876 -4.052 8.580 1.00 52.41 C ATOM 1423 O ASN A 88 3.801 -4.064 7.350 1.00 45.22 O ATOM 1424 CB ASN A 88 4.867 -6.341 9.085 1.00 12.32 C ATOM 1425 CG ASN A 88 6.253 -5.889 9.565 1.00 53.33 C ATOM 1426 OD1 ASN A 88 6.559 -4.701 9.671 1.00 32.42 O ATOM 1427 ND2 ASN A 88 7.129 -6.848 9.830 1.00 3.34 N ATOM 0 H ASN A 88 2.505 -6.673 8.278 1.00 1.13 H new ATOM 0 HA ASN A 88 3.708 -5.096 10.443 1.00 3.44 H new ATOM 0 HB2 ASN A 88 4.635 -7.299 9.550 1.00 12.32 H new ATOM 0 HB3 ASN A 88 4.911 -6.511 8.009 1.00 12.32 H new ATOM 0 HD21 ASN A 88 8.075 -6.607 10.127 1.00 3.34 H new ATOM 0 HD22 ASN A 88 6.858 -7.827 9.737 1.00 3.34 H new ATOM 1434 N VAL A 89 4.127 -2.950 9.304 1.00 43.02 N ATOM 1435 CA VAL A 89 4.365 -1.617 8.732 1.00 71.44 C ATOM 1436 C VAL A 89 5.745 -1.094 9.188 1.00 55.23 C ATOM 1437 O VAL A 89 6.137 -1.263 10.349 1.00 10.51 O ATOM 1438 CB VAL A 89 3.215 -0.614 9.139 1.00 73.12 C ATOM 1439 CG1 VAL A 89 3.033 -0.518 10.679 1.00 3.22 C ATOM 1440 CG2 VAL A 89 3.439 0.780 8.502 1.00 14.02 C ATOM 0 H VAL A 89 4.171 -2.962 10.323 1.00 43.02 H new ATOM 0 HA VAL A 89 4.361 -1.694 7.645 1.00 71.44 H new ATOM 0 HB VAL A 89 2.283 -1.017 8.742 1.00 73.12 H new ATOM 0 HG11 VAL A 89 2.231 0.184 10.908 1.00 3.22 H new ATOM 0 HG12 VAL A 89 2.780 -1.500 11.077 1.00 3.22 H new ATOM 0 HG13 VAL A 89 3.960 -0.170 11.134 1.00 3.22 H new ATOM 0 HG21 VAL A 89 2.632 1.450 8.799 1.00 14.02 H new ATOM 0 HG22 VAL A 89 4.392 1.186 8.842 1.00 14.02 H new ATOM 0 HG23 VAL A 89 3.451 0.686 7.416 1.00 14.02 H new ATOM 1450 N THR A 90 6.482 -0.489 8.250 1.00 24.12 N ATOM 1451 CA THR A 90 7.798 0.123 8.498 1.00 73.00 C ATOM 1452 C THR A 90 7.905 1.411 7.659 1.00 2.25 C ATOM 1453 O THR A 90 7.247 1.532 6.629 1.00 11.32 O ATOM 1454 CB THR A 90 8.958 -0.873 8.138 1.00 44.42 C ATOM 1455 OG1 THR A 90 8.740 -2.130 8.804 1.00 35.33 O ATOM 1456 CG2 THR A 90 10.342 -0.338 8.540 1.00 64.12 C ATOM 0 H THR A 90 6.178 -0.408 7.280 1.00 24.12 H new ATOM 0 HA THR A 90 7.894 0.363 9.557 1.00 73.00 H new ATOM 0 HB THR A 90 8.946 -0.996 7.055 1.00 44.42 H new ATOM 0 HG1 THR A 90 9.464 -2.750 8.577 1.00 35.33 H new ATOM 0 HG21 THR A 90 11.106 -1.066 8.268 1.00 64.12 H new ATOM 0 HG22 THR A 90 10.534 0.601 8.021 1.00 64.12 H new ATOM 0 HG23 THR A 90 10.368 -0.169 9.617 1.00 64.12 H new ATOM 1464 N TRP A 91 8.714 2.391 8.120 1.00 2.11 N ATOM 1465 CA TRP A 91 8.821 3.721 7.475 1.00 54.50 C ATOM 1466 C TRP A 91 10.294 4.044 7.202 1.00 33.31 C ATOM 1467 O TRP A 91 11.131 3.954 8.113 1.00 62.23 O ATOM 1468 CB TRP A 91 8.181 4.808 8.379 1.00 32.23 C ATOM 1469 CG TRP A 91 6.802 4.428 8.878 1.00 32.40 C ATOM 1470 CD1 TRP A 91 5.615 4.511 8.197 1.00 30.42 C ATOM 1471 CD2 TRP A 91 6.484 3.860 10.163 1.00 44.14 C ATOM 1472 NE1 TRP A 91 4.592 4.048 8.986 1.00 24.01 N ATOM 1473 CE2 TRP A 91 5.103 3.642 10.194 1.00 13.24 C ATOM 1474 CE3 TRP A 91 7.243 3.523 11.286 1.00 55.44 C ATOM 1475 CZ2 TRP A 91 4.458 3.104 11.310 1.00 65.11 C ATOM 1476 CZ3 TRP A 91 6.605 2.981 12.389 1.00 73.33 C ATOM 1477 CH2 TRP A 91 5.222 2.774 12.392 1.00 11.03 C ATOM 0 H TRP A 91 9.307 2.285 8.943 1.00 2.11 H new ATOM 0 HA TRP A 91 8.283 3.705 6.527 1.00 54.50 H new ATOM 0 HB2 TRP A 91 8.832 4.991 9.233 1.00 32.23 H new ATOM 0 HB3 TRP A 91 8.115 5.743 7.822 1.00 32.23 H new ATOM 0 HD1 TRP A 91 5.502 4.885 7.190 1.00 30.42 H new ATOM 0 HE1 TRP A 91 3.609 4.011 8.718 1.00 24.01 H new ATOM 0 HE3 TRP A 91 8.311 3.683 11.294 1.00 55.44 H new ATOM 0 HZ2 TRP A 91 3.389 2.954 11.317 1.00 65.11 H new ATOM 0 HZ3 TRP A 91 7.184 2.714 13.260 1.00 73.33 H new ATOM 0 HH2 TRP A 91 4.751 2.346 13.264 1.00 11.03 H new ATOM 1488 N ASP A 92 10.597 4.413 5.948 1.00 3.02 N ATOM 1489 CA ASP A 92 11.963 4.757 5.503 1.00 33.20 C ATOM 1490 C ASP A 92 11.892 5.586 4.210 1.00 20.11 C ATOM 1491 O ASP A 92 11.035 5.332 3.356 1.00 55.12 O ATOM 1492 CB ASP A 92 12.827 3.475 5.284 1.00 74.25 C ATOM 1493 CG ASP A 92 12.328 2.576 4.128 1.00 40.22 C ATOM 1494 OD1 ASP A 92 11.307 1.866 4.300 1.00 31.02 O ATOM 1495 OD2 ASP A 92 12.951 2.576 3.044 1.00 23.42 O ATOM 0 H ASP A 92 9.899 4.483 5.207 1.00 3.02 H new ATOM 0 HA ASP A 92 12.442 5.348 6.284 1.00 33.20 H new ATOM 0 HB2 ASP A 92 13.856 3.772 5.083 1.00 74.25 H new ATOM 0 HB3 ASP A 92 12.837 2.893 6.206 1.00 74.25 H new ATOM 1500 N GLY A 93 12.795 6.574 4.083 1.00 1.22 N ATOM 1501 CA GLY A 93 12.862 7.441 2.902 1.00 52.32 C ATOM 1502 C GLY A 93 11.602 8.281 2.715 1.00 52.20 C ATOM 1503 O GLY A 93 11.195 8.543 1.579 1.00 45.12 O ATOM 0 H GLY A 93 13.494 6.790 4.794 1.00 1.22 H new ATOM 0 HA2 GLY A 93 13.724 8.102 2.990 1.00 52.32 H new ATOM 0 HA3 GLY A 93 13.020 6.828 2.015 1.00 52.32 H new ATOM 1507 N ASP A 94 10.988 8.681 3.863 1.00 13.12 N ATOM 1508 CA ASP A 94 9.717 9.469 3.935 1.00 55.32 C ATOM 1509 C ASP A 94 8.503 8.633 3.477 1.00 73.35 C ATOM 1510 O ASP A 94 7.373 9.112 3.497 1.00 13.53 O ATOM 1511 CB ASP A 94 9.788 10.799 3.124 1.00 51.43 C ATOM 1512 CG ASP A 94 10.989 11.680 3.511 1.00 1.13 C ATOM 1513 OD1 ASP A 94 10.926 12.356 4.557 1.00 33.03 O ATOM 1514 OD2 ASP A 94 12.014 11.687 2.781 1.00 2.32 O ATOM 0 H ASP A 94 11.367 8.462 4.784 1.00 13.12 H new ATOM 0 HA ASP A 94 9.586 9.730 4.985 1.00 55.32 H new ATOM 0 HB2 ASP A 94 9.844 10.566 2.061 1.00 51.43 H new ATOM 0 HB3 ASP A 94 8.867 11.362 3.279 1.00 51.43 H new ATOM 1519 N THR A 95 8.748 7.361 3.140 1.00 53.35 N ATOM 1520 CA THR A 95 7.811 6.498 2.408 1.00 54.53 C ATOM 1521 C THR A 95 7.396 5.306 3.299 1.00 42.23 C ATOM 1522 O THR A 95 8.222 4.781 4.059 1.00 54.52 O ATOM 1523 CB THR A 95 8.522 6.029 1.091 1.00 44.12 C ATOM 1524 OG1 THR A 95 8.923 7.189 0.335 1.00 14.41 O ATOM 1525 CG2 THR A 95 7.640 5.136 0.212 1.00 21.41 C ATOM 0 H THR A 95 9.623 6.892 3.374 1.00 53.35 H new ATOM 0 HA THR A 95 6.899 7.034 2.147 1.00 54.53 H new ATOM 0 HB THR A 95 9.384 5.431 1.388 1.00 44.12 H new ATOM 0 HG1 THR A 95 9.683 7.621 0.777 1.00 14.41 H new ATOM 0 HG21 THR A 95 8.192 4.847 -0.682 1.00 21.41 H new ATOM 0 HG22 THR A 95 7.358 4.242 0.769 1.00 21.41 H new ATOM 0 HG23 THR A 95 6.742 5.682 -0.076 1.00 21.41 H new ATOM 1533 N VAL A 96 6.117 4.894 3.211 1.00 34.34 N ATOM 1534 CA VAL A 96 5.570 3.805 4.044 1.00 40.45 C ATOM 1535 C VAL A 96 5.689 2.449 3.314 1.00 20.41 C ATOM 1536 O VAL A 96 5.066 2.225 2.275 1.00 52.02 O ATOM 1537 CB VAL A 96 4.079 4.077 4.493 1.00 11.13 C ATOM 1538 CG1 VAL A 96 3.148 4.428 3.306 1.00 2.10 C ATOM 1539 CG2 VAL A 96 3.527 2.881 5.309 1.00 30.31 C ATOM 0 H VAL A 96 5.439 5.302 2.567 1.00 34.34 H new ATOM 0 HA VAL A 96 6.169 3.766 4.954 1.00 40.45 H new ATOM 0 HB VAL A 96 4.096 4.957 5.136 1.00 11.13 H new ATOM 0 HG11 VAL A 96 2.138 4.604 3.676 1.00 2.10 H new ATOM 0 HG12 VAL A 96 3.515 5.326 2.809 1.00 2.10 H new ATOM 0 HG13 VAL A 96 3.136 3.601 2.596 1.00 2.10 H new ATOM 0 HG21 VAL A 96 2.500 3.088 5.609 1.00 30.31 H new ATOM 0 HG22 VAL A 96 3.552 1.980 4.696 1.00 30.31 H new ATOM 0 HG23 VAL A 96 4.141 2.732 6.197 1.00 30.31 H new ATOM 1549 N THR A 97 6.515 1.562 3.877 1.00 74.02 N ATOM 1550 CA THR A 97 6.767 0.224 3.345 1.00 63.25 C ATOM 1551 C THR A 97 6.098 -0.840 4.248 1.00 75.10 C ATOM 1552 O THR A 97 6.573 -1.119 5.355 1.00 23.43 O ATOM 1553 CB THR A 97 8.306 -0.024 3.246 1.00 41.01 C ATOM 1554 OG1 THR A 97 8.917 1.068 2.535 1.00 61.54 O ATOM 1555 CG2 THR A 97 8.636 -1.349 2.538 1.00 51.11 C ATOM 0 H THR A 97 7.036 1.760 4.731 1.00 74.02 H new ATOM 0 HA THR A 97 6.337 0.146 2.346 1.00 63.25 H new ATOM 0 HB THR A 97 8.700 -0.088 4.260 1.00 41.01 H new ATOM 0 HG1 THR A 97 9.697 1.389 3.035 1.00 61.54 H new ATOM 0 HG21 THR A 97 9.717 -1.478 2.493 1.00 51.11 H new ATOM 0 HG22 THR A 97 8.195 -2.177 3.092 1.00 51.11 H new ATOM 0 HG23 THR A 97 8.230 -1.332 1.527 1.00 51.11 H new ATOM 1563 N VAL A 98 4.974 -1.400 3.774 1.00 54.33 N ATOM 1564 CA VAL A 98 4.261 -2.509 4.432 1.00 63.33 C ATOM 1565 C VAL A 98 4.625 -3.833 3.741 1.00 33.44 C ATOM 1566 O VAL A 98 4.445 -3.980 2.523 1.00 52.43 O ATOM 1567 CB VAL A 98 2.701 -2.270 4.411 1.00 44.45 C ATOM 1568 CG1 VAL A 98 1.885 -3.545 4.772 1.00 73.11 C ATOM 1569 CG2 VAL A 98 2.328 -1.098 5.359 1.00 71.34 C ATOM 0 H VAL A 98 4.528 -1.091 2.910 1.00 54.33 H new ATOM 0 HA VAL A 98 4.569 -2.558 5.477 1.00 63.33 H new ATOM 0 HB VAL A 98 2.433 -2.011 3.387 1.00 44.45 H new ATOM 0 HG11 VAL A 98 0.820 -3.316 4.740 1.00 73.11 H new ATOM 0 HG12 VAL A 98 2.108 -4.335 4.055 1.00 73.11 H new ATOM 0 HG13 VAL A 98 2.155 -3.878 5.774 1.00 73.11 H new ATOM 0 HG21 VAL A 98 1.250 -0.941 5.337 1.00 71.34 H new ATOM 0 HG22 VAL A 98 2.639 -1.339 6.375 1.00 71.34 H new ATOM 0 HG23 VAL A 98 2.833 -0.190 5.031 1.00 71.34 H new ATOM 1579 N GLU A 99 5.148 -4.782 4.538 1.00 22.51 N ATOM 1580 CA GLU A 99 5.573 -6.097 4.053 1.00 62.31 C ATOM 1581 C GLU A 99 5.449 -7.112 5.205 1.00 64.40 C ATOM 1582 O GLU A 99 6.126 -6.975 6.229 1.00 5.32 O ATOM 1583 CB GLU A 99 7.037 -6.005 3.515 1.00 11.13 C ATOM 1584 CG GLU A 99 7.511 -7.180 2.623 1.00 42.41 C ATOM 1585 CD GLU A 99 7.829 -8.482 3.367 1.00 12.25 C ATOM 1586 OE1 GLU A 99 8.934 -8.598 3.934 1.00 3.44 O ATOM 1587 OE2 GLU A 99 6.983 -9.394 3.387 1.00 24.54 O ATOM 0 H GLU A 99 5.286 -4.653 5.540 1.00 22.51 H new ATOM 0 HA GLU A 99 4.939 -6.430 3.231 1.00 62.31 H new ATOM 0 HB2 GLU A 99 7.136 -5.081 2.946 1.00 11.13 H new ATOM 0 HB3 GLU A 99 7.712 -5.928 4.368 1.00 11.13 H new ATOM 0 HG2 GLU A 99 6.740 -7.385 1.880 1.00 42.41 H new ATOM 0 HG3 GLU A 99 8.402 -6.865 2.079 1.00 42.41 H new ATOM 1594 N GLY A 100 4.593 -8.129 5.008 1.00 14.34 N ATOM 1595 CA GLY A 100 4.466 -9.257 5.931 1.00 40.22 C ATOM 1596 C GLY A 100 3.436 -9.019 7.028 1.00 34.53 C ATOM 1597 O GLY A 100 2.426 -8.342 6.801 1.00 25.23 O ATOM 0 H GLY A 100 3.971 -8.187 4.202 1.00 14.34 H new ATOM 0 HA2 GLY A 100 4.190 -10.149 5.369 1.00 40.22 H new ATOM 0 HA3 GLY A 100 5.435 -9.456 6.388 1.00 40.22 H new ATOM 1601 N GLN A 101 3.703 -9.572 8.223 1.00 51.12 N ATOM 1602 CA GLN A 101 2.796 -9.483 9.380 1.00 72.10 C ATOM 1603 C GLN A 101 3.595 -9.469 10.704 1.00 15.33 C ATOM 1604 O GLN A 101 4.711 -9.994 10.770 1.00 12.02 O ATOM 1605 CB GLN A 101 1.720 -10.620 9.312 1.00 31.33 C ATOM 1606 CG GLN A 101 2.238 -12.067 9.155 1.00 25.32 C ATOM 1607 CD GLN A 101 2.788 -12.699 10.434 1.00 75.00 C ATOM 1608 OE1 GLN A 101 2.337 -12.397 11.535 1.00 4.32 O ATOM 1609 NE2 GLN A 101 3.752 -13.591 10.297 1.00 4.52 N ATOM 0 H GLN A 101 4.557 -10.095 8.415 1.00 51.12 H new ATOM 0 HA GLN A 101 2.254 -8.538 9.347 1.00 72.10 H new ATOM 0 HB2 GLN A 101 1.119 -10.572 10.220 1.00 31.33 H new ATOM 0 HB3 GLN A 101 1.053 -10.406 8.476 1.00 31.33 H new ATOM 0 HG2 GLN A 101 1.425 -12.689 8.781 1.00 25.32 H new ATOM 0 HG3 GLN A 101 3.021 -12.076 8.397 1.00 25.32 H new ATOM 0 HE21 GLN A 101 4.106 -13.821 9.368 1.00 4.52 H new ATOM 0 HE22 GLN A 101 4.143 -14.050 11.120 1.00 4.52 H new ATOM 1618 N LEU A 102 3.019 -8.828 11.738 1.00 75.22 N ATOM 1619 CA LEU A 102 3.657 -8.638 13.056 1.00 3.25 C ATOM 1620 C LEU A 102 3.502 -9.887 13.949 1.00 30.23 C ATOM 1621 O LEU A 102 2.562 -10.674 13.789 1.00 1.45 O ATOM 1622 CB LEU A 102 3.037 -7.401 13.764 1.00 32.44 C ATOM 1623 CG LEU A 102 3.226 -6.022 13.052 1.00 51.32 C ATOM 1624 CD1 LEU A 102 2.388 -4.924 13.737 1.00 41.50 C ATOM 1625 CD2 LEU A 102 4.719 -5.620 12.986 1.00 64.34 C ATOM 0 H LEU A 102 2.085 -8.422 11.682 1.00 75.22 H new ATOM 0 HA LEU A 102 4.723 -8.475 12.894 1.00 3.25 H new ATOM 0 HB2 LEU A 102 1.968 -7.578 13.886 1.00 32.44 H new ATOM 0 HB3 LEU A 102 3.465 -7.330 14.764 1.00 32.44 H new ATOM 0 HG LEU A 102 2.867 -6.129 12.028 1.00 51.32 H new ATOM 0 HD11 LEU A 102 2.539 -3.976 13.221 1.00 41.50 H new ATOM 0 HD12 LEU A 102 1.333 -5.194 13.698 1.00 41.50 H new ATOM 0 HD13 LEU A 102 2.699 -4.825 14.777 1.00 41.50 H new ATOM 0 HD21 LEU A 102 4.815 -4.657 12.485 1.00 64.34 H new ATOM 0 HD22 LEU A 102 5.121 -5.545 13.997 1.00 64.34 H new ATOM 0 HD23 LEU A 102 5.275 -6.375 12.430 1.00 64.34 H new ATOM 1637 N GLU A 103 4.442 -10.038 14.901 1.00 10.33 N ATOM 1638 CA GLU A 103 4.439 -11.115 15.920 1.00 50.41 C ATOM 1639 C GLU A 103 4.035 -10.552 17.301 1.00 40.22 C ATOM 1640 O GLU A 103 3.579 -9.407 17.402 1.00 11.32 O ATOM 1641 CB GLU A 103 5.847 -11.784 15.992 1.00 14.32 C ATOM 1642 CG GLU A 103 7.016 -10.816 16.282 1.00 15.25 C ATOM 1643 CD GLU A 103 8.350 -11.535 16.549 1.00 70.22 C ATOM 1644 OE1 GLU A 103 8.987 -12.013 15.587 1.00 0.13 O ATOM 1645 OE2 GLU A 103 8.753 -11.659 17.728 1.00 20.13 O ATOM 0 H GLU A 103 5.239 -9.407 14.989 1.00 10.33 H new ATOM 0 HA GLU A 103 3.707 -11.869 15.632 1.00 50.41 H new ATOM 0 HB2 GLU A 103 5.829 -12.551 16.767 1.00 14.32 H new ATOM 0 HB3 GLU A 103 6.041 -12.291 15.047 1.00 14.32 H new ATOM 0 HG2 GLU A 103 7.138 -10.141 15.435 1.00 15.25 H new ATOM 0 HG3 GLU A 103 6.764 -10.201 17.146 1.00 15.25 H new ATOM 1652 N GLY A 104 4.191 -11.377 18.356 1.00 33.23 N ATOM 1653 CA GLY A 104 3.976 -10.943 19.739 1.00 73.40 C ATOM 1654 C GLY A 104 2.533 -11.131 20.185 1.00 44.40 C ATOM 1655 O GLY A 104 1.768 -10.158 20.255 1.00 72.35 O ATOM 0 H GLY A 104 4.468 -12.355 18.268 1.00 33.23 H new ATOM 0 HA2 GLY A 104 4.635 -11.505 20.401 1.00 73.40 H new ATOM 0 HA3 GLY A 104 4.250 -9.892 19.835 1.00 73.40 H new ATOM 1659 N VAL A 105 2.152 -12.395 20.452 1.00 63.23 N ATOM 1660 CA VAL A 105 0.816 -12.741 20.972 1.00 21.13 C ATOM 1661 C VAL A 105 0.693 -12.307 22.458 1.00 40.43 C ATOM 1662 O VAL A 105 1.126 -13.012 23.381 1.00 65.31 O ATOM 1663 CB VAL A 105 0.481 -14.279 20.754 1.00 51.21 C ATOM 1664 CG1 VAL A 105 1.566 -15.224 21.340 1.00 5.41 C ATOM 1665 CG2 VAL A 105 -0.921 -14.637 21.306 1.00 12.14 C ATOM 0 H VAL A 105 2.760 -13.202 20.314 1.00 63.23 H new ATOM 0 HA VAL A 105 0.067 -12.189 20.404 1.00 21.13 H new ATOM 0 HB VAL A 105 0.476 -14.438 19.676 1.00 51.21 H new ATOM 0 HG11 VAL A 105 1.281 -16.261 21.160 1.00 5.41 H new ATOM 0 HG12 VAL A 105 2.523 -15.022 20.859 1.00 5.41 H new ATOM 0 HG13 VAL A 105 1.656 -15.053 22.413 1.00 5.41 H new ATOM 0 HG21 VAL A 105 -1.118 -15.696 21.140 1.00 12.14 H new ATOM 0 HG22 VAL A 105 -0.957 -14.424 22.374 1.00 12.14 H new ATOM 0 HG23 VAL A 105 -1.677 -14.043 20.792 1.00 12.14 H new ATOM 1675 N ASP A 106 0.170 -11.085 22.668 1.00 33.42 N ATOM 1676 CA ASP A 106 -0.022 -10.511 24.009 1.00 13.51 C ATOM 1677 C ASP A 106 -1.285 -11.123 24.655 1.00 72.20 C ATOM 1678 O ASP A 106 -2.405 -10.736 24.270 1.00 23.22 O ATOM 1679 CB ASP A 106 -0.105 -8.960 23.933 1.00 4.35 C ATOM 1680 CG ASP A 106 -0.291 -8.287 25.310 1.00 31.34 C ATOM 1681 OD1 ASP A 106 0.537 -8.537 26.218 1.00 51.10 O ATOM 1682 OD2 ASP A 106 -1.264 -7.519 25.496 1.00 73.54 O ATOM 1683 OXT ASP A 106 -1.150 -12.028 25.508 1.00 37.50 O ATOM 0 H ASP A 106 -0.131 -10.470 21.912 1.00 33.42 H new ATOM 0 HA ASP A 106 0.835 -10.755 24.637 1.00 13.51 H new ATOM 0 HB2 ASP A 106 0.804 -8.577 23.470 1.00 4.35 H new ATOM 0 HB3 ASP A 106 -0.935 -8.679 23.285 1.00 4.35 H new TER 1688 ASP A 106