USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 914 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 43 ASN : amide:sc= -0.703 K(o=-5.5,f=-4.2) USER MOD Set 1.2: A 47 GLN : amide:sc= -4.82! C(o=-5.5!,f=-7!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.014 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.131 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00638 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.683 K(o=-0.68,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -151:sc= 0.0726 USER MOD Single : A 37 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.46) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0.365 (180deg=0.205) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= -0.29 (180deg=-1.51) USER MOD Single : A 44 TYR OH : rot 153:sc= 0.401 USER MOD Single : A 45 TYR OH : rot 94:sc= -0.612 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.055) USER MOD Single : A 57 SER OG : rot -63:sc= 0.142 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 93:sc= 1.57 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0339) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.92! K(o=-1.9!,f=-1.1) USER MOD Single : A 66 THR OG1 : rot 46:sc= 0.541 USER MOD Single : A 72 SER OG : rot -22:sc= 0.128 USER MOD Single : A 75 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.102 K(o=0.1,f=-0.62) USER MOD Single : A 78 GLN : amide:sc= -4.99! C(o=-5!,f=-8.9!) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.209) USER MOD Single : A 80 MET CE :methyl -149:sc= 0 (180deg=-0.558) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.334 K(o=-0.33,f=-3.1!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.118 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -4.8! C(o=-4.8!,f=-3.7!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 43:sc= 0.0154 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.774 23.489 6.155 1.00 40.41 N ATOM 2 CA GLY A 1 -18.139 24.724 5.733 1.00 63.22 C ATOM 3 C GLY A 1 -17.220 24.525 4.542 1.00 22.21 C ATOM 4 O GLY A 1 -16.541 23.503 4.438 1.00 10.11 O ATOM 0 H1 GLY A 1 -18.847 23.473 7.192 1.00 40.41 H new ATOM 0 H2 GLY A 1 -19.726 23.429 5.740 1.00 40.41 H new ATOM 0 H3 GLY A 1 -18.205 22.679 5.835 1.00 40.41 H new ATOM 0 HA2 GLY A 1 -18.906 25.455 5.478 1.00 63.22 H new ATOM 0 HA3 GLY A 1 -17.568 25.138 6.564 1.00 63.22 H new ATOM 8 N SER A 2 -17.200 25.503 3.642 1.00 74.32 N ATOM 9 CA SER A 2 -16.362 25.428 2.451 1.00 12.51 C ATOM 10 C SER A 2 -14.899 25.686 2.798 1.00 13.32 C ATOM 11 O SER A 2 -14.523 26.802 3.156 1.00 10.33 O ATOM 12 CB SER A 2 -16.836 26.439 1.404 1.00 52.12 C ATOM 13 OG SER A 2 -18.011 27.106 1.834 1.00 33.33 O ATOM 0 H SER A 2 -17.754 26.356 3.715 1.00 74.32 H new ATOM 0 HA SER A 2 -16.447 24.422 2.040 1.00 12.51 H new ATOM 0 HB2 SER A 2 -16.048 27.168 1.216 1.00 52.12 H new ATOM 0 HB3 SER A 2 -17.029 25.927 0.461 1.00 52.12 H new ATOM 0 HG SER A 2 -18.292 27.747 1.149 1.00 33.33 H new ATOM 19 N SER A 3 -14.081 24.646 2.690 1.00 34.02 N ATOM 20 CA SER A 3 -12.659 24.758 2.997 1.00 64.33 C ATOM 21 C SER A 3 -11.818 24.065 1.929 1.00 23.14 C ATOM 22 O SER A 3 -11.957 22.866 1.694 1.00 30.41 O ATOM 23 CB SER A 3 -12.361 24.150 4.370 1.00 44.45 C ATOM 24 OG SER A 3 -13.301 24.589 5.336 1.00 50.21 O ATOM 0 H SER A 3 -14.377 23.716 2.393 1.00 34.02 H new ATOM 0 HA SER A 3 -12.398 25.816 3.012 1.00 64.33 H new ATOM 0 HB2 SER A 3 -12.385 23.062 4.303 1.00 44.45 H new ATOM 0 HB3 SER A 3 -11.355 24.428 4.684 1.00 44.45 H new ATOM 0 HG SER A 3 -13.090 24.186 6.204 1.00 50.21 H new ATOM 30 N GLY A 4 -10.941 24.832 1.286 1.00 72.22 N ATOM 31 CA GLY A 4 -10.090 24.277 0.250 1.00 31.42 C ATOM 32 C GLY A 4 -8.624 24.292 0.635 1.00 13.44 C ATOM 33 O GLY A 4 -8.282 24.525 1.794 1.00 55.41 O ATOM 0 H GLY A 4 -10.805 25.827 1.465 1.00 72.22 H new ATOM 0 HA2 GLY A 4 -10.397 23.252 0.042 1.00 31.42 H new ATOM 0 HA3 GLY A 4 -10.227 24.844 -0.671 1.00 31.42 H new ATOM 37 N SER A 5 -7.755 24.045 -0.339 1.00 75.00 N ATOM 38 CA SER A 5 -6.317 24.026 -0.095 1.00 1.20 C ATOM 39 C SER A 5 -5.686 25.365 -0.463 1.00 3.42 C ATOM 40 O SER A 5 -6.175 26.072 -1.346 1.00 23.43 O ATOM 41 CB SER A 5 -5.657 22.901 -0.896 1.00 3.53 C ATOM 42 OG SER A 5 -6.104 22.902 -2.240 1.00 54.12 O ATOM 0 H SER A 5 -8.021 23.855 -1.305 1.00 75.00 H new ATOM 0 HA SER A 5 -6.156 23.848 0.968 1.00 1.20 H new ATOM 0 HB2 SER A 5 -4.574 23.019 -0.870 1.00 3.53 H new ATOM 0 HB3 SER A 5 -5.884 21.940 -0.435 1.00 3.53 H new ATOM 0 HG SER A 5 -5.666 22.175 -2.731 1.00 54.12 H new ATOM 48 N SER A 6 -4.598 25.707 0.219 1.00 43.14 N ATOM 49 CA SER A 6 -3.903 26.963 -0.033 1.00 30.25 C ATOM 50 C SER A 6 -2.423 26.847 0.326 1.00 61.34 C ATOM 51 O SER A 6 -2.060 26.787 1.501 1.00 44.52 O ATOM 52 CB SER A 6 -4.544 28.096 0.769 1.00 5.34 C ATOM 53 OG SER A 6 -3.688 29.223 0.836 1.00 4.23 O ATOM 0 H SER A 6 -4.179 25.132 0.950 1.00 43.14 H new ATOM 0 HA SER A 6 -3.986 27.187 -1.096 1.00 30.25 H new ATOM 0 HB2 SER A 6 -5.490 28.381 0.309 1.00 5.34 H new ATOM 0 HB3 SER A 6 -4.772 27.748 1.777 1.00 5.34 H new ATOM 0 HG SER A 6 -4.122 29.933 1.353 1.00 4.23 H new ATOM 59 N GLY A 7 -1.573 26.812 -0.696 1.00 61.04 N ATOM 60 CA GLY A 7 -0.144 26.702 -0.470 1.00 75.40 C ATOM 61 C GLY A 7 0.306 25.265 -0.296 1.00 1.10 C ATOM 62 O GLY A 7 -0.368 24.339 -0.745 1.00 63.01 O ATOM 0 H GLY A 7 -1.849 26.858 -1.677 1.00 61.04 H new ATOM 0 HA2 GLY A 7 0.389 27.147 -1.310 1.00 75.40 H new ATOM 0 HA3 GLY A 7 0.126 27.274 0.418 1.00 75.40 H new ATOM 66 N GLU A 8 1.449 25.079 0.355 1.00 35.15 N ATOM 67 CA GLU A 8 1.989 23.745 0.584 1.00 33.20 C ATOM 68 C GLU A 8 2.451 23.113 -0.725 1.00 42.25 C ATOM 69 O GLU A 8 1.863 23.322 -1.786 1.00 2.24 O ATOM 70 CB GLU A 8 0.939 22.853 1.251 1.00 73.13 C ATOM 71 CG GLU A 8 1.319 22.411 2.655 1.00 23.02 C ATOM 72 CD GLU A 8 0.157 22.491 3.626 1.00 62.32 C ATOM 73 OE1 GLU A 8 0.385 22.304 4.839 1.00 55.34 O ATOM 74 OE2 GLU A 8 -0.980 22.739 3.172 1.00 13.14 O ATOM 0 H GLU A 8 2.019 25.836 0.733 1.00 35.15 H new ATOM 0 HA GLU A 8 2.850 23.838 1.246 1.00 33.20 H new ATOM 0 HB2 GLU A 8 -0.009 23.390 1.292 1.00 73.13 H new ATOM 0 HB3 GLU A 8 0.778 21.970 0.632 1.00 73.13 H new ATOM 0 HG2 GLU A 8 1.690 21.387 2.622 1.00 23.02 H new ATOM 0 HG3 GLU A 8 2.136 23.034 3.019 1.00 23.02 H new ATOM 82 N PRO A 9 3.531 22.321 -0.651 1.00 61.41 N ATOM 83 CA PRO A 9 4.097 21.642 -1.821 1.00 12.22 C ATOM 84 C PRO A 9 3.193 20.527 -2.337 1.00 44.01 C ATOM 85 O PRO A 9 2.856 19.598 -1.604 1.00 23.21 O ATOM 86 CB PRO A 9 5.411 21.063 -1.293 1.00 61.31 C ATOM 87 CG PRO A 9 5.195 20.902 0.171 1.00 32.14 C ATOM 88 CD PRO A 9 4.282 22.026 0.580 1.00 20.31 C ATOM 0 HA PRO A 9 4.223 22.320 -2.665 1.00 12.22 H new ATOM 0 HB2 PRO A 9 5.641 20.108 -1.766 1.00 61.31 H new ATOM 0 HB3 PRO A 9 6.248 21.730 -1.498 1.00 61.31 H new ATOM 0 HG2 PRO A 9 4.747 19.934 0.395 1.00 32.14 H new ATOM 0 HG3 PRO A 9 6.140 20.950 0.713 1.00 32.14 H new ATOM 0 HD2 PRO A 9 3.620 21.730 1.393 1.00 20.31 H new ATOM 0 HD3 PRO A 9 4.843 22.894 0.926 1.00 20.31 H new ATOM 96 N ALA A 10 2.804 20.627 -3.604 1.00 71.34 N ATOM 97 CA ALA A 10 1.941 19.624 -4.219 1.00 1.04 C ATOM 98 C ALA A 10 2.319 18.220 -3.763 1.00 2.23 C ATOM 99 O ALA A 10 1.477 17.325 -3.717 1.00 2.23 O ATOM 100 CB ALA A 10 2.013 19.726 -5.737 1.00 15.44 C ATOM 0 H ALA A 10 3.072 21.391 -4.224 1.00 71.34 H new ATOM 0 HA ALA A 10 0.917 19.817 -3.900 1.00 1.04 H new ATOM 0 HB1 ALA A 10 1.365 18.972 -6.183 1.00 15.44 H new ATOM 0 HB2 ALA A 10 1.687 20.717 -6.051 1.00 15.44 H new ATOM 0 HB3 ALA A 10 3.040 19.561 -6.064 1.00 15.44 H new ATOM 106 N GLU A 11 3.592 18.034 -3.428 1.00 25.41 N ATOM 107 CA GLU A 11 4.082 16.737 -2.976 1.00 63.43 C ATOM 108 C GLU A 11 3.361 16.295 -1.705 1.00 1.12 C ATOM 109 O GLU A 11 2.884 15.165 -1.611 1.00 32.11 O ATOM 110 CB GLU A 11 5.591 16.793 -2.727 1.00 54.44 C ATOM 111 CG GLU A 11 6.417 16.224 -3.868 1.00 61.14 C ATOM 112 CD GLU A 11 6.793 17.273 -4.896 1.00 4.32 C ATOM 113 OE1 GLU A 11 7.887 17.862 -4.768 1.00 0.32 O ATOM 114 OE2 GLU A 11 5.995 17.505 -5.828 1.00 20.21 O ATOM 0 H GLU A 11 4.303 18.765 -3.461 1.00 25.41 H new ATOM 0 HA GLU A 11 3.879 16.008 -3.761 1.00 63.43 H new ATOM 0 HB2 GLU A 11 5.885 17.829 -2.558 1.00 54.44 H new ATOM 0 HB3 GLU A 11 5.821 16.244 -1.814 1.00 54.44 H new ATOM 0 HG2 GLU A 11 7.324 15.774 -3.465 1.00 61.14 H new ATOM 0 HG3 GLU A 11 5.855 15.427 -4.356 1.00 61.14 H new ATOM 122 N ILE A 12 3.288 17.197 -0.731 1.00 52.12 N ATOM 123 CA ILE A 12 2.627 16.902 0.534 1.00 40.14 C ATOM 124 C ILE A 12 1.129 16.698 0.336 1.00 54.42 C ATOM 125 O ILE A 12 0.548 15.739 0.847 1.00 62.12 O ATOM 126 CB ILE A 12 2.850 18.027 1.561 1.00 1.12 C ATOM 127 CG1 ILE A 12 4.267 17.954 2.131 1.00 13.12 C ATOM 128 CG2 ILE A 12 1.819 17.937 2.677 1.00 45.50 C ATOM 129 CD1 ILE A 12 4.589 19.074 3.097 1.00 71.14 C ATOM 0 H ILE A 12 3.678 18.137 -0.794 1.00 52.12 H new ATOM 0 HA ILE A 12 3.069 15.981 0.915 1.00 40.14 H new ATOM 0 HB ILE A 12 2.730 18.987 1.058 1.00 1.12 H new ATOM 0 HG12 ILE A 12 4.397 16.998 2.639 1.00 13.12 H new ATOM 0 HG13 ILE A 12 4.982 17.977 1.309 1.00 13.12 H new ATOM 0 HG21 ILE A 12 1.989 18.739 3.395 1.00 45.50 H new ATOM 0 HG22 ILE A 12 0.818 18.033 2.256 1.00 45.50 H new ATOM 0 HG23 ILE A 12 1.910 16.974 3.180 1.00 45.50 H new ATOM 0 HD11 ILE A 12 5.610 18.958 3.461 1.00 71.14 H new ATOM 0 HD12 ILE A 12 4.492 20.033 2.588 1.00 71.14 H new ATOM 0 HD13 ILE A 12 3.897 19.039 3.939 1.00 71.14 H new ATOM 141 N LYS A 13 0.507 17.604 -0.410 1.00 42.40 N ATOM 142 CA LYS A 13 -0.923 17.524 -0.679 1.00 31.11 C ATOM 143 C LYS A 13 -1.312 16.125 -1.144 1.00 62.35 C ATOM 144 O LYS A 13 -2.300 15.558 -0.676 1.00 65.54 O ATOM 145 CB LYS A 13 -1.323 18.554 -1.740 1.00 71.20 C ATOM 146 CG LYS A 13 -1.804 17.933 -3.040 1.00 24.14 C ATOM 147 CD LYS A 13 -2.361 18.983 -3.986 1.00 54.40 C ATOM 148 CE LYS A 13 -3.683 19.540 -3.482 1.00 53.11 C ATOM 149 NZ LYS A 13 -4.543 20.025 -4.597 1.00 43.34 N ATOM 0 H LYS A 13 0.972 18.404 -0.840 1.00 42.40 H new ATOM 0 HA LYS A 13 -1.453 17.741 0.248 1.00 31.11 H new ATOM 0 HB2 LYS A 13 -2.111 19.190 -1.338 1.00 71.20 H new ATOM 0 HB3 LYS A 13 -0.469 19.198 -1.949 1.00 71.20 H new ATOM 0 HG2 LYS A 13 -0.978 17.409 -3.522 1.00 24.14 H new ATOM 0 HG3 LYS A 13 -2.572 17.190 -2.827 1.00 24.14 H new ATOM 0 HD2 LYS A 13 -1.641 19.794 -4.096 1.00 54.40 H new ATOM 0 HD3 LYS A 13 -2.502 18.546 -4.975 1.00 54.40 H new ATOM 0 HE2 LYS A 13 -4.213 18.768 -2.924 1.00 53.11 H new ATOM 0 HE3 LYS A 13 -3.491 20.359 -2.789 1.00 53.11 H new ATOM 0 HZ1 LYS A 13 -5.434 20.397 -4.211 1.00 43.34 H new ATOM 0 HZ2 LYS A 13 -4.048 20.780 -5.114 1.00 43.34 H new ATOM 0 HZ3 LYS A 13 -4.748 19.238 -5.245 1.00 43.34 H new ATOM 163 N ILE A 14 -0.528 15.572 -2.063 1.00 44.45 N ATOM 164 CA ILE A 14 -0.789 14.238 -2.589 1.00 52.12 C ATOM 165 C ILE A 14 -0.792 13.199 -1.472 1.00 73.33 C ATOM 166 O ILE A 14 -1.536 12.220 -1.524 1.00 54.24 O ATOM 167 CB ILE A 14 0.254 13.834 -3.647 1.00 30.21 C ATOM 168 CG1 ILE A 14 0.028 14.618 -4.941 1.00 22.32 C ATOM 169 CG2 ILE A 14 0.191 12.338 -3.909 1.00 44.23 C ATOM 170 CD1 ILE A 14 1.177 14.513 -5.919 1.00 65.12 C ATOM 0 H ILE A 14 0.294 16.028 -2.459 1.00 44.45 H new ATOM 0 HA ILE A 14 -1.773 14.271 -3.056 1.00 52.12 H new ATOM 0 HB ILE A 14 1.247 14.074 -3.268 1.00 30.21 H new ATOM 0 HG12 ILE A 14 -0.881 14.257 -5.421 1.00 22.32 H new ATOM 0 HG13 ILE A 14 -0.136 15.668 -4.697 1.00 22.32 H new ATOM 0 HG21 ILE A 14 0.934 12.068 -4.659 1.00 44.23 H new ATOM 0 HG22 ILE A 14 0.396 11.798 -2.985 1.00 44.23 H new ATOM 0 HG23 ILE A 14 -0.802 12.074 -4.271 1.00 44.23 H new ATOM 0 HD11 ILE A 14 0.948 15.093 -6.813 1.00 65.12 H new ATOM 0 HD12 ILE A 14 2.085 14.901 -5.457 1.00 65.12 H new ATOM 0 HD13 ILE A 14 1.327 13.469 -6.193 1.00 65.12 H new ATOM 182 N ILE A 15 0.044 13.420 -0.462 1.00 4.51 N ATOM 183 CA ILE A 15 0.136 12.505 0.667 1.00 52.33 C ATOM 184 C ILE A 15 -1.109 12.589 1.545 1.00 31.33 C ATOM 185 O ILE A 15 -1.529 11.597 2.142 1.00 64.02 O ATOM 186 CB ILE A 15 1.378 12.798 1.529 1.00 53.21 C ATOM 187 CG1 ILE A 15 2.653 12.622 0.701 1.00 74.21 C ATOM 188 CG2 ILE A 15 1.402 11.889 2.749 1.00 32.15 C ATOM 189 CD1 ILE A 15 3.837 13.389 1.246 1.00 3.24 C ATOM 0 H ILE A 15 0.667 14.226 -0.404 1.00 4.51 H new ATOM 0 HA ILE A 15 0.220 11.500 0.253 1.00 52.33 H new ATOM 0 HB ILE A 15 1.329 13.832 1.871 1.00 53.21 H new ATOM 0 HG12 ILE A 15 2.905 11.562 0.658 1.00 74.21 H new ATOM 0 HG13 ILE A 15 2.460 12.946 -0.322 1.00 74.21 H new ATOM 0 HG21 ILE A 15 2.286 12.108 3.348 1.00 32.15 H new ATOM 0 HG22 ILE A 15 0.507 12.059 3.347 1.00 32.15 H new ATOM 0 HG23 ILE A 15 1.431 10.848 2.427 1.00 32.15 H new ATOM 0 HD11 ILE A 15 4.705 13.218 0.610 1.00 3.24 H new ATOM 0 HD12 ILE A 15 3.604 14.454 1.263 1.00 3.24 H new ATOM 0 HD13 ILE A 15 4.056 13.049 2.258 1.00 3.24 H new ATOM 201 N ARG A 16 -1.697 13.779 1.618 1.00 63.35 N ATOM 202 CA ARG A 16 -2.894 13.992 2.421 1.00 42.12 C ATOM 203 C ARG A 16 -4.048 13.129 1.918 1.00 4.13 C ATOM 204 O ARG A 16 -4.776 12.529 2.708 1.00 44.41 O ATOM 205 CB ARG A 16 -3.297 15.467 2.393 1.00 33.24 C ATOM 206 CG ARG A 16 -3.152 16.164 3.736 1.00 51.42 C ATOM 207 CD ARG A 16 -4.190 17.261 3.909 1.00 51.20 C ATOM 208 NE ARG A 16 -4.667 17.353 5.287 1.00 71.44 N ATOM 209 CZ ARG A 16 -3.966 17.897 6.273 1.00 23.24 C ATOM 210 NH1 ARG A 16 -2.762 18.400 6.035 1.00 35.35 N ATOM 211 NH2 ARG A 16 -4.467 17.942 7.500 1.00 51.21 N ATOM 0 H ARG A 16 -1.363 14.610 1.130 1.00 63.35 H new ATOM 0 HA ARG A 16 -2.668 13.703 3.447 1.00 42.12 H new ATOM 0 HB2 ARG A 16 -2.686 15.988 1.655 1.00 33.24 H new ATOM 0 HB3 ARG A 16 -4.333 15.546 2.062 1.00 33.24 H new ATOM 0 HG2 ARG A 16 -3.255 15.434 4.539 1.00 51.42 H new ATOM 0 HG3 ARG A 16 -2.153 16.591 3.820 1.00 51.42 H new ATOM 0 HD2 ARG A 16 -3.760 18.217 3.610 1.00 51.20 H new ATOM 0 HD3 ARG A 16 -5.033 17.069 3.246 1.00 51.20 H new ATOM 0 HE ARG A 16 -5.591 16.978 5.503 1.00 71.44 H new ATOM 0 HH11 ARG A 16 -2.374 18.369 5.092 1.00 35.35 H new ATOM 0 HH12 ARG A 16 -2.225 18.818 6.795 1.00 35.35 H new ATOM 0 HH21 ARG A 16 -5.393 17.558 7.687 1.00 51.21 H new ATOM 0 HH22 ARG A 16 -3.926 18.361 8.257 1.00 51.21 H new ATOM 225 N GLU A 17 -4.206 13.073 0.599 1.00 32.21 N ATOM 226 CA GLU A 17 -5.272 12.285 -0.008 1.00 62.51 C ATOM 227 C GLU A 17 -4.924 10.799 0.003 1.00 64.12 C ATOM 228 O GLU A 17 -5.664 9.982 0.549 1.00 53.22 O ATOM 229 CB GLU A 17 -5.525 12.749 -1.443 1.00 4.11 C ATOM 230 CG GLU A 17 -6.991 12.724 -1.842 1.00 61.20 C ATOM 231 CD GLU A 17 -7.262 11.808 -3.019 1.00 34.51 C ATOM 232 OE1 GLU A 17 -6.365 11.665 -3.877 1.00 23.34 O ATOM 233 OE2 GLU A 17 -8.368 11.234 -3.082 1.00 63.53 O ATOM 0 H GLU A 17 -3.610 13.563 -0.068 1.00 32.21 H new ATOM 0 HA GLU A 17 -6.178 12.433 0.580 1.00 62.51 H new ATOM 0 HB2 GLU A 17 -5.143 13.763 -1.561 1.00 4.11 H new ATOM 0 HB3 GLU A 17 -4.961 12.114 -2.126 1.00 4.11 H new ATOM 0 HG2 GLU A 17 -7.590 12.401 -0.990 1.00 61.20 H new ATOM 0 HG3 GLU A 17 -7.312 13.735 -2.092 1.00 61.20 H new ATOM 241 N ALA A 18 -3.792 10.456 -0.605 1.00 13.45 N ATOM 242 CA ALA A 18 -3.345 9.071 -0.664 1.00 13.32 C ATOM 243 C ALA A 18 -3.383 8.422 0.715 1.00 14.13 C ATOM 244 O ALA A 18 -3.779 7.265 0.857 1.00 12.00 O ATOM 245 CB ALA A 18 -1.940 8.995 -1.246 1.00 42.40 C ATOM 0 H ALA A 18 -3.168 11.120 -1.064 1.00 13.45 H new ATOM 0 HA ALA A 18 -4.027 8.522 -1.314 1.00 13.32 H new ATOM 0 HB1 ALA A 18 -1.618 7.954 -1.285 1.00 42.40 H new ATOM 0 HB2 ALA A 18 -1.940 9.412 -2.253 1.00 42.40 H new ATOM 0 HB3 ALA A 18 -1.255 9.564 -0.618 1.00 42.40 H new ATOM 251 N TYR A 19 -2.970 9.175 1.730 1.00 2.33 N ATOM 252 CA TYR A 19 -2.955 8.672 3.098 1.00 20.43 C ATOM 253 C TYR A 19 -4.324 8.127 3.494 1.00 65.04 C ATOM 254 O TYR A 19 -4.498 6.920 3.666 1.00 41.21 O ATOM 255 CB TYR A 19 -2.536 9.780 4.066 1.00 22.13 C ATOM 256 CG TYR A 19 -2.632 9.380 5.521 1.00 53.43 C ATOM 257 CD1 TYR A 19 -1.782 8.421 6.057 1.00 34.33 C ATOM 258 CD2 TYR A 19 -3.574 9.962 6.360 1.00 12.42 C ATOM 259 CE1 TYR A 19 -1.867 8.053 7.385 1.00 74.44 C ATOM 260 CE2 TYR A 19 -3.666 9.602 7.691 1.00 62.33 C ATOM 261 CZ TYR A 19 -2.810 8.645 8.199 1.00 3.21 C ATOM 262 OH TYR A 19 -2.898 8.283 9.524 1.00 64.45 O ATOM 0 H TYR A 19 -2.641 10.135 1.630 1.00 2.33 H new ATOM 0 HA TYR A 19 -2.231 7.859 3.151 1.00 20.43 H new ATOM 0 HB2 TYR A 19 -1.510 10.075 3.846 1.00 22.13 H new ATOM 0 HB3 TYR A 19 -3.163 10.656 3.896 1.00 22.13 H new ATOM 0 HD1 TYR A 19 -1.042 7.955 5.424 1.00 34.33 H new ATOM 0 HD2 TYR A 19 -4.246 10.709 5.965 1.00 12.42 H new ATOM 0 HE1 TYR A 19 -1.198 7.305 7.785 1.00 74.44 H new ATOM 0 HE2 TYR A 19 -4.403 10.066 8.330 1.00 62.33 H new ATOM 0 HH TYR A 19 -3.613 8.795 9.956 1.00 64.45 H new ATOM 272 N LYS A 20 -5.293 9.023 3.632 1.00 14.32 N ATOM 273 CA LYS A 20 -6.648 8.635 4.006 1.00 24.13 C ATOM 274 C LYS A 20 -7.150 7.496 3.124 1.00 4.14 C ATOM 275 O LYS A 20 -7.296 6.361 3.582 1.00 43.22 O ATOM 276 CB LYS A 20 -7.593 9.833 3.893 1.00 14.34 C ATOM 277 CG LYS A 20 -9.060 9.466 4.024 1.00 53.21 C ATOM 278 CD LYS A 20 -9.960 10.539 3.435 1.00 73.34 C ATOM 279 CE LYS A 20 -10.332 11.587 4.474 1.00 41.53 C ATOM 280 NZ LYS A 20 -11.782 11.923 4.428 1.00 63.43 N ATOM 0 H LYS A 20 -5.166 10.025 3.490 1.00 14.32 H new ATOM 0 HA LYS A 20 -6.628 8.291 5.040 1.00 24.13 H new ATOM 0 HB2 LYS A 20 -7.339 10.559 4.665 1.00 14.34 H new ATOM 0 HB3 LYS A 20 -7.434 10.321 2.931 1.00 14.34 H new ATOM 0 HG2 LYS A 20 -9.245 8.518 3.519 1.00 53.21 H new ATOM 0 HG3 LYS A 20 -9.307 9.320 5.076 1.00 53.21 H new ATOM 0 HD2 LYS A 20 -9.455 11.019 2.597 1.00 73.34 H new ATOM 0 HD3 LYS A 20 -10.866 10.079 3.040 1.00 73.34 H new ATOM 0 HE2 LYS A 20 -10.076 11.220 5.468 1.00 41.53 H new ATOM 0 HE3 LYS A 20 -9.744 12.490 4.306 1.00 41.53 H new ATOM 0 HZ1 LYS A 20 -11.995 12.640 5.151 1.00 63.43 H new ATOM 0 HZ2 LYS A 20 -12.022 12.297 3.488 1.00 63.43 H new ATOM 0 HZ3 LYS A 20 -12.343 11.067 4.614 1.00 63.43 H new ATOM 294 N LYS A 21 -7.409 7.804 1.858 1.00 50.11 N ATOM 295 CA LYS A 21 -7.891 6.806 0.911 1.00 74.33 C ATOM 296 C LYS A 21 -7.206 5.462 1.140 1.00 54.35 C ATOM 297 O LYS A 21 -7.866 4.449 1.371 1.00 54.30 O ATOM 298 CB LYS A 21 -7.647 7.275 -0.525 1.00 51.34 C ATOM 299 CG LYS A 21 -8.219 8.651 -0.821 1.00 70.12 C ATOM 300 CD LYS A 21 -9.314 8.586 -1.872 1.00 73.24 C ATOM 301 CE LYS A 21 -10.409 9.606 -1.600 1.00 41.42 C ATOM 302 NZ LYS A 21 -11.313 9.171 -0.500 1.00 73.05 N ATOM 0 H LYS A 21 -7.293 8.738 1.464 1.00 50.11 H new ATOM 0 HA LYS A 21 -8.962 6.680 1.069 1.00 74.33 H new ATOM 0 HB2 LYS A 21 -6.574 7.288 -0.717 1.00 51.34 H new ATOM 0 HB3 LYS A 21 -8.085 6.553 -1.214 1.00 51.34 H new ATOM 0 HG2 LYS A 21 -8.619 9.085 0.096 1.00 70.12 H new ATOM 0 HG3 LYS A 21 -7.422 9.311 -1.165 1.00 70.12 H new ATOM 0 HD2 LYS A 21 -8.885 8.766 -2.858 1.00 73.24 H new ATOM 0 HD3 LYS A 21 -9.744 7.585 -1.889 1.00 73.24 H new ATOM 0 HE2 LYS A 21 -9.957 10.563 -1.341 1.00 41.42 H new ATOM 0 HE3 LYS A 21 -10.992 9.764 -2.508 1.00 41.42 H new ATOM 0 HZ1 LYS A 21 -12.045 9.894 -0.346 1.00 73.05 H new ATOM 0 HZ2 LYS A 21 -11.764 8.270 -0.757 1.00 73.05 H new ATOM 0 HZ3 LYS A 21 -10.762 9.045 0.373 1.00 73.05 H new ATOM 316 N ALA A 22 -5.878 5.461 1.077 1.00 74.02 N ATOM 317 CA ALA A 22 -5.105 4.243 1.281 1.00 22.23 C ATOM 318 C ALA A 22 -5.518 3.540 2.570 1.00 65.00 C ATOM 319 O ALA A 22 -5.746 2.330 2.585 1.00 24.53 O ATOM 320 CB ALA A 22 -3.617 4.561 1.305 1.00 61.12 C ATOM 0 H ALA A 22 -5.316 6.290 0.886 1.00 74.02 H new ATOM 0 HA ALA A 22 -5.309 3.569 0.449 1.00 22.23 H new ATOM 0 HB1 ALA A 22 -3.051 3.642 1.458 1.00 61.12 H new ATOM 0 HB2 ALA A 22 -3.326 5.013 0.357 1.00 61.12 H new ATOM 0 HB3 ALA A 22 -3.407 5.256 2.118 1.00 61.12 H new ATOM 326 N PHE A 23 -5.612 4.307 3.652 1.00 74.43 N ATOM 327 CA PHE A 23 -5.995 3.756 4.947 1.00 3.21 C ATOM 328 C PHE A 23 -7.501 3.508 5.008 1.00 23.42 C ATOM 329 O PHE A 23 -7.992 2.822 5.905 1.00 32.22 O ATOM 330 CB PHE A 23 -5.578 4.704 6.072 1.00 40.40 C ATOM 331 CG PHE A 23 -4.402 4.211 6.866 1.00 54.41 C ATOM 332 CD1 PHE A 23 -4.533 3.126 7.720 1.00 42.01 C ATOM 333 CD2 PHE A 23 -3.169 4.833 6.763 1.00 21.02 C ATOM 334 CE1 PHE A 23 -3.453 2.669 8.452 1.00 43.43 C ATOM 335 CE2 PHE A 23 -2.085 4.379 7.492 1.00 11.00 C ATOM 336 CZ PHE A 23 -2.228 3.297 8.338 1.00 11.34 C ATOM 0 H PHE A 23 -5.428 5.310 3.658 1.00 74.43 H new ATOM 0 HA PHE A 23 -5.481 2.803 5.075 1.00 3.21 H new ATOM 0 HB2 PHE A 23 -5.336 5.677 5.645 1.00 40.40 H new ATOM 0 HB3 PHE A 23 -6.424 4.852 6.744 1.00 40.40 H new ATOM 0 HD1 PHE A 23 -5.489 2.633 7.814 1.00 42.01 H new ATOM 0 HD2 PHE A 23 -3.053 5.682 6.106 1.00 21.02 H new ATOM 0 HE1 PHE A 23 -3.567 1.822 9.112 1.00 43.43 H new ATOM 0 HE2 PHE A 23 -1.128 4.870 7.400 1.00 11.00 H new ATOM 0 HZ PHE A 23 -1.383 2.942 8.910 1.00 11.34 H new ATOM 346 N LEU A 24 -8.225 4.071 4.049 1.00 52.33 N ATOM 347 CA LEU A 24 -9.675 3.912 3.992 1.00 52.50 C ATOM 348 C LEU A 24 -10.052 2.555 3.407 1.00 35.42 C ATOM 349 O LEU A 24 -10.844 1.814 3.991 1.00 61.32 O ATOM 350 CB LEU A 24 -10.298 5.032 3.156 1.00 33.21 C ATOM 351 CG LEU A 24 -11.367 4.603 2.150 1.00 21.22 C ATOM 352 CD1 LEU A 24 -12.622 4.137 2.871 1.00 73.42 C ATOM 353 CD2 LEU A 24 -11.691 5.743 1.196 1.00 14.25 C ATOM 0 H LEU A 24 -7.833 4.642 3.300 1.00 52.33 H new ATOM 0 HA LEU A 24 -10.062 3.968 5.009 1.00 52.50 H new ATOM 0 HB2 LEU A 24 -10.738 5.763 3.834 1.00 33.21 H new ATOM 0 HB3 LEU A 24 -9.501 5.540 2.614 1.00 33.21 H new ATOM 0 HG LEU A 24 -10.976 3.769 1.568 1.00 21.22 H new ATOM 0 HD11 LEU A 24 -13.371 3.836 2.139 1.00 73.42 H new ATOM 0 HD12 LEU A 24 -12.380 3.289 3.512 1.00 73.42 H new ATOM 0 HD13 LEU A 24 -13.016 4.951 3.479 1.00 73.42 H new ATOM 0 HD21 LEU A 24 -12.453 5.419 0.488 1.00 14.25 H new ATOM 0 HD22 LEU A 24 -12.062 6.597 1.762 1.00 14.25 H new ATOM 0 HD23 LEU A 24 -10.790 6.030 0.653 1.00 14.25 H new ATOM 365 N PHE A 25 -9.478 2.235 2.252 1.00 43.43 N ATOM 366 CA PHE A 25 -9.753 0.966 1.588 1.00 53.40 C ATOM 367 C PHE A 25 -9.128 -0.196 2.355 1.00 64.41 C ATOM 368 O PHE A 25 -9.541 -1.347 2.208 1.00 4.44 O ATOM 369 CB PHE A 25 -9.222 0.991 0.154 1.00 22.44 C ATOM 370 CG PHE A 25 -10.022 1.867 -0.767 1.00 12.53 C ATOM 371 CD1 PHE A 25 -11.277 1.473 -1.203 1.00 61.44 C ATOM 372 CD2 PHE A 25 -9.519 3.084 -1.197 1.00 21.21 C ATOM 373 CE1 PHE A 25 -12.016 2.278 -2.050 1.00 53.01 C ATOM 374 CE2 PHE A 25 -10.253 3.893 -2.044 1.00 15.32 C ATOM 375 CZ PHE A 25 -11.503 3.488 -2.471 1.00 63.02 C ATOM 0 H PHE A 25 -8.820 2.837 1.757 1.00 43.43 H new ATOM 0 HA PHE A 25 -10.833 0.823 1.565 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -8.188 1.337 0.164 1.00 22.44 H new ATOM 0 HB3 PHE A 25 -9.215 -0.025 -0.240 1.00 22.44 H new ATOM 0 HD1 PHE A 25 -11.682 0.526 -0.877 1.00 61.44 H new ATOM 0 HD2 PHE A 25 -8.542 3.404 -0.867 1.00 21.21 H new ATOM 0 HE1 PHE A 25 -12.993 1.960 -2.382 1.00 53.01 H new ATOM 0 HE2 PHE A 25 -9.850 4.840 -2.371 1.00 15.32 H new ATOM 0 HZ PHE A 25 -12.078 4.118 -3.134 1.00 63.02 H new ATOM 385 N VAL A 26 -8.126 0.114 3.173 1.00 22.54 N ATOM 386 CA VAL A 26 -7.442 -0.901 3.963 1.00 72.41 C ATOM 387 C VAL A 26 -8.351 -1.452 5.056 1.00 44.21 C ATOM 388 O VAL A 26 -8.730 -2.622 5.031 1.00 21.24 O ATOM 389 CB VAL A 26 -6.161 -0.341 4.610 1.00 61.41 C ATOM 390 CG1 VAL A 26 -5.845 -1.084 5.899 1.00 40.11 C ATOM 391 CG2 VAL A 26 -4.994 -0.424 3.638 1.00 22.33 C ATOM 0 H VAL A 26 -7.771 1.061 3.305 1.00 22.54 H new ATOM 0 HA VAL A 26 -7.172 -1.705 3.279 1.00 72.41 H new ATOM 0 HB VAL A 26 -6.327 0.708 4.855 1.00 61.41 H new ATOM 0 HG11 VAL A 26 -4.937 -0.675 6.342 1.00 40.11 H new ATOM 0 HG12 VAL A 26 -6.673 -0.969 6.598 1.00 40.11 H new ATOM 0 HG13 VAL A 26 -5.698 -2.142 5.682 1.00 40.11 H new ATOM 0 HG21 VAL A 26 -4.097 -0.024 4.111 1.00 22.33 H new ATOM 0 HG22 VAL A 26 -4.825 -1.464 3.361 1.00 22.33 H new ATOM 0 HG23 VAL A 26 -5.223 0.157 2.745 1.00 22.33 H new ATOM 401 N ASN A 27 -8.697 -0.600 6.015 1.00 54.12 N ATOM 402 CA ASN A 27 -9.564 -1.001 7.118 1.00 35.24 C ATOM 403 C ASN A 27 -10.651 -1.957 6.636 1.00 32.33 C ATOM 404 O ASN A 27 -11.099 -2.830 7.379 1.00 63.33 O ATOM 405 CB ASN A 27 -10.201 0.230 7.767 1.00 62.31 C ATOM 406 CG ASN A 27 -11.318 -0.136 8.725 1.00 43.22 C ATOM 407 OD1 ASN A 27 -11.108 -0.233 9.934 1.00 24.30 O ATOM 408 ND2 ASN A 27 -12.514 -0.340 8.186 1.00 14.52 N ATOM 0 H ASN A 27 -8.391 0.372 6.051 1.00 54.12 H new ATOM 0 HA ASN A 27 -8.953 -1.518 7.858 1.00 35.24 H new ATOM 0 HB2 ASN A 27 -9.436 0.792 8.303 1.00 62.31 H new ATOM 0 HB3 ASN A 27 -10.593 0.886 6.990 1.00 62.31 H new ATOM 0 HD21 ASN A 27 -13.305 -0.588 8.780 1.00 14.52 H new ATOM 0 HD22 ASN A 27 -12.642 -0.248 7.178 1.00 14.52 H new ATOM 415 N LYS A 28 -11.070 -1.785 5.388 1.00 53.43 N ATOM 416 CA LYS A 28 -12.104 -2.632 4.804 1.00 52.53 C ATOM 417 C LYS A 28 -11.584 -4.048 4.581 1.00 43.14 C ATOM 418 O LYS A 28 -12.228 -5.025 4.964 1.00 51.41 O ATOM 419 CB LYS A 28 -12.590 -2.040 3.480 1.00 20.33 C ATOM 420 CG LYS A 28 -13.846 -1.197 3.614 1.00 61.35 C ATOM 421 CD LYS A 28 -13.566 0.270 3.337 1.00 61.30 C ATOM 422 CE LYS A 28 -14.065 0.684 1.961 1.00 73.33 C ATOM 423 NZ LYS A 28 -15.538 0.897 1.947 1.00 65.44 N ATOM 0 H LYS A 28 -10.710 -1.066 4.760 1.00 53.43 H new ATOM 0 HA LYS A 28 -12.940 -2.677 5.502 1.00 52.53 H new ATOM 0 HB2 LYS A 28 -11.796 -1.428 3.052 1.00 20.33 H new ATOM 0 HB3 LYS A 28 -12.781 -2.851 2.777 1.00 20.33 H new ATOM 0 HG2 LYS A 28 -14.605 -1.561 2.921 1.00 61.35 H new ATOM 0 HG3 LYS A 28 -14.253 -1.307 4.619 1.00 61.35 H new ATOM 0 HD2 LYS A 28 -14.047 0.883 4.099 1.00 61.30 H new ATOM 0 HD3 LYS A 28 -12.494 0.456 3.408 1.00 61.30 H new ATOM 0 HE2 LYS A 28 -13.562 1.601 1.653 1.00 73.33 H new ATOM 0 HE3 LYS A 28 -13.802 -0.084 1.233 1.00 73.33 H new ATOM 0 HZ1 LYS A 28 -15.839 1.178 0.992 1.00 65.44 H new ATOM 0 HZ2 LYS A 28 -16.019 0.015 2.216 1.00 65.44 H new ATOM 0 HZ3 LYS A 28 -15.787 1.647 2.623 1.00 65.44 H new ATOM 437 N GLY A 29 -10.414 -4.153 3.958 1.00 44.32 N ATOM 438 CA GLY A 29 -9.828 -5.454 3.694 1.00 34.12 C ATOM 439 C GLY A 29 -9.635 -6.269 4.958 1.00 62.52 C ATOM 440 O GLY A 29 -9.594 -7.499 4.911 1.00 72.12 O ATOM 0 H GLY A 29 -9.862 -3.360 3.631 1.00 44.32 H new ATOM 0 HA2 GLY A 29 -10.468 -6.004 3.004 1.00 34.12 H new ATOM 0 HA3 GLY A 29 -8.866 -5.322 3.200 1.00 34.12 H new ATOM 444 N LEU A 30 -9.515 -5.583 6.090 1.00 63.21 N ATOM 445 CA LEU A 30 -9.324 -6.252 7.373 1.00 22.30 C ATOM 446 C LEU A 30 -10.654 -6.741 7.935 1.00 5.25 C ATOM 447 O LEU A 30 -10.800 -7.911 8.285 1.00 2.21 O ATOM 448 CB LEU A 30 -8.652 -5.305 8.367 1.00 55.30 C ATOM 449 CG LEU A 30 -7.213 -4.901 8.044 1.00 3.41 C ATOM 450 CD1 LEU A 30 -6.235 -5.644 8.942 1.00 14.12 C ATOM 451 CD2 LEU A 30 -6.902 -5.166 6.579 1.00 41.12 C ATOM 0 H LEU A 30 -9.547 -4.565 6.146 1.00 63.21 H new ATOM 0 HA LEU A 30 -8.680 -7.117 7.213 1.00 22.30 H new ATOM 0 HB2 LEU A 30 -9.255 -4.400 8.439 1.00 55.30 H new ATOM 0 HB3 LEU A 30 -8.664 -5.775 9.350 1.00 55.30 H new ATOM 0 HG LEU A 30 -7.105 -3.833 8.231 1.00 3.41 H new ATOM 0 HD11 LEU A 30 -5.216 -5.344 8.697 1.00 14.12 H new ATOM 0 HD12 LEU A 30 -6.444 -5.404 9.985 1.00 14.12 H new ATOM 0 HD13 LEU A 30 -6.343 -6.718 8.788 1.00 14.12 H new ATOM 0 HD21 LEU A 30 -5.874 -4.873 6.366 1.00 41.12 H new ATOM 0 HD22 LEU A 30 -7.028 -6.228 6.367 1.00 41.12 H new ATOM 0 HD23 LEU A 30 -7.581 -4.588 5.953 1.00 41.12 H new ATOM 463 N ASN A 31 -11.624 -5.835 8.018 1.00 62.12 N ATOM 464 CA ASN A 31 -12.943 -6.173 8.537 1.00 52.25 C ATOM 465 C ASN A 31 -13.485 -7.433 7.866 1.00 3.44 C ATOM 466 O ASN A 31 -13.936 -8.363 8.536 1.00 33.33 O ATOM 467 CB ASN A 31 -13.914 -5.010 8.322 1.00 34.53 C ATOM 468 CG ASN A 31 -15.080 -5.044 9.290 1.00 11.33 C ATOM 469 OD1 ASN A 31 -14.915 -4.803 10.487 1.00 72.03 O ATOM 470 ND2 ASN A 31 -16.268 -5.343 8.777 1.00 21.23 N ATOM 0 H ASN A 31 -11.520 -4.861 7.732 1.00 62.12 H new ATOM 0 HA ASN A 31 -12.847 -6.363 9.606 1.00 52.25 H new ATOM 0 HB2 ASN A 31 -13.378 -4.067 8.436 1.00 34.53 H new ATOM 0 HB3 ASN A 31 -14.293 -5.040 7.300 1.00 34.53 H new ATOM 0 HD21 ASN A 31 -17.089 -5.380 9.381 1.00 21.23 H new ATOM 0 HD22 ASN A 31 -16.359 -5.536 7.779 1.00 21.23 H new ATOM 477 N THR A 32 -13.439 -7.456 6.538 1.00 5.14 N ATOM 478 CA THR A 32 -13.925 -8.599 5.774 1.00 13.13 C ATOM 479 C THR A 32 -13.232 -9.885 6.210 1.00 32.12 C ATOM 480 O THR A 32 -13.887 -10.869 6.557 1.00 4.53 O ATOM 481 CB THR A 32 -13.709 -8.398 4.263 1.00 33.02 C ATOM 482 OG1 THR A 32 -12.837 -7.285 4.036 1.00 23.31 O ATOM 483 CG2 THR A 32 -15.033 -8.165 3.553 1.00 12.34 C ATOM 0 H THR A 32 -13.070 -6.695 5.968 1.00 5.14 H new ATOM 0 HA THR A 32 -14.994 -8.681 5.972 1.00 13.13 H new ATOM 0 HB THR A 32 -13.254 -9.303 3.860 1.00 33.02 H new ATOM 0 HG1 THR A 32 -13.049 -6.874 3.172 1.00 23.31 H new ATOM 0 HG21 THR A 32 -14.855 -8.026 2.487 1.00 12.34 H new ATOM 0 HG22 THR A 32 -15.683 -9.027 3.703 1.00 12.34 H new ATOM 0 HG23 THR A 32 -15.512 -7.275 3.960 1.00 12.34 H new ATOM 491 N ASP A 33 -11.904 -9.870 6.192 1.00 23.21 N ATOM 492 CA ASP A 33 -11.122 -11.035 6.587 1.00 71.11 C ATOM 493 C ASP A 33 -11.586 -11.570 7.938 1.00 2.14 C ATOM 494 O ASP A 33 -11.353 -12.731 8.270 1.00 62.52 O ATOM 495 CB ASP A 33 -9.635 -10.682 6.648 1.00 24.21 C ATOM 496 CG ASP A 33 -8.794 -11.810 7.213 1.00 22.31 C ATOM 497 OD1 ASP A 33 -8.904 -12.083 8.426 1.00 75.20 O ATOM 498 OD2 ASP A 33 -8.025 -12.419 6.441 1.00 20.52 O ATOM 0 H ASP A 33 -11.347 -9.064 5.908 1.00 23.21 H new ATOM 0 HA ASP A 33 -11.273 -11.812 5.838 1.00 71.11 H new ATOM 0 HB2 ASP A 33 -9.282 -10.436 5.647 1.00 24.21 H new ATOM 0 HB3 ASP A 33 -9.501 -9.791 7.261 1.00 24.21 H new ATOM 504 N GLU A 34 -12.242 -10.713 8.713 1.00 13.45 N ATOM 505 CA GLU A 34 -12.737 -11.099 10.029 1.00 13.24 C ATOM 506 C GLU A 34 -14.143 -11.685 9.932 1.00 42.44 C ATOM 507 O GLU A 34 -14.525 -12.547 10.725 1.00 42.13 O ATOM 508 CB GLU A 34 -12.740 -9.894 10.972 1.00 11.14 C ATOM 509 CG GLU A 34 -11.352 -9.353 11.273 1.00 44.02 C ATOM 510 CD GLU A 34 -11.096 -9.197 12.759 1.00 12.21 C ATOM 511 OE1 GLU A 34 -9.996 -9.576 13.213 1.00 54.41 O ATOM 512 OE2 GLU A 34 -11.993 -8.697 13.467 1.00 50.23 O ATOM 0 H GLU A 34 -12.443 -9.747 8.453 1.00 13.45 H new ATOM 0 HA GLU A 34 -12.070 -11.863 10.429 1.00 13.24 H new ATOM 0 HB2 GLU A 34 -13.343 -9.100 10.531 1.00 11.14 H new ATOM 0 HB3 GLU A 34 -13.221 -10.177 11.908 1.00 11.14 H new ATOM 0 HG2 GLU A 34 -10.605 -10.023 10.848 1.00 44.02 H new ATOM 0 HG3 GLU A 34 -11.229 -8.387 10.784 1.00 44.02 H new ATOM 520 N LEU A 35 -14.908 -11.210 8.955 1.00 52.54 N ATOM 521 CA LEU A 35 -16.273 -11.685 8.753 1.00 71.11 C ATOM 522 C LEU A 35 -16.278 -13.072 8.119 1.00 4.13 C ATOM 523 O LEU A 35 -17.219 -13.843 8.297 1.00 70.42 O ATOM 524 CB LEU A 35 -17.049 -10.707 7.871 1.00 10.21 C ATOM 525 CG LEU A 35 -17.754 -9.560 8.599 1.00 21.42 C ATOM 526 CD1 LEU A 35 -16.747 -8.722 9.375 1.00 51.14 C ATOM 527 CD2 LEU A 35 -18.523 -8.694 7.613 1.00 11.33 C ATOM 0 H LEU A 35 -14.607 -10.497 8.291 1.00 52.54 H new ATOM 0 HA LEU A 35 -16.757 -11.749 9.728 1.00 71.11 H new ATOM 0 HB2 LEU A 35 -16.359 -10.279 7.143 1.00 10.21 H new ATOM 0 HB3 LEU A 35 -17.796 -11.269 7.310 1.00 10.21 H new ATOM 0 HG LEU A 35 -18.464 -9.987 9.307 1.00 21.42 H new ATOM 0 HD11 LEU A 35 -17.266 -7.911 9.886 1.00 51.14 H new ATOM 0 HD12 LEU A 35 -16.241 -9.349 10.109 1.00 51.14 H new ATOM 0 HD13 LEU A 35 -16.013 -8.305 8.686 1.00 51.14 H new ATOM 0 HD21 LEU A 35 -19.018 -7.884 8.149 1.00 11.33 H new ATOM 0 HD22 LEU A 35 -17.833 -8.276 6.880 1.00 11.33 H new ATOM 0 HD23 LEU A 35 -19.271 -9.301 7.102 1.00 11.33 H new ATOM 539 N GLY A 36 -15.217 -13.383 7.380 1.00 63.33 N ATOM 540 CA GLY A 36 -15.118 -14.678 6.732 1.00 61.52 C ATOM 541 C GLY A 36 -14.977 -14.564 5.227 1.00 62.43 C ATOM 542 O GLY A 36 -14.915 -15.574 4.526 1.00 51.44 O ATOM 0 H GLY A 36 -14.425 -12.761 7.219 1.00 63.33 H new ATOM 0 HA2 GLY A 36 -14.261 -15.218 7.134 1.00 61.52 H new ATOM 0 HA3 GLY A 36 -16.004 -15.267 6.967 1.00 61.52 H new ATOM 546 N GLN A 37 -14.925 -13.333 4.730 1.00 51.42 N ATOM 547 CA GLN A 37 -14.793 -13.092 3.298 1.00 32.33 C ATOM 548 C GLN A 37 -13.325 -13.063 2.885 1.00 32.41 C ATOM 549 O GLN A 37 -12.611 -12.097 3.159 1.00 44.14 O ATOM 550 CB GLN A 37 -15.469 -11.775 2.917 1.00 10.31 C ATOM 551 CG GLN A 37 -16.875 -11.628 3.474 1.00 53.13 C ATOM 552 CD GLN A 37 -17.852 -11.072 2.456 1.00 4.03 C ATOM 553 OE1 GLN A 37 -17.869 -11.495 1.299 1.00 22.12 O ATOM 554 NE2 GLN A 37 -18.673 -10.119 2.882 1.00 23.23 N ATOM 0 H GLN A 37 -14.972 -12.487 5.298 1.00 51.42 H new ATOM 0 HA GLN A 37 -15.284 -13.909 2.770 1.00 32.33 H new ATOM 0 HB2 GLN A 37 -14.858 -10.946 3.274 1.00 10.31 H new ATOM 0 HB3 GLN A 37 -15.508 -11.698 1.830 1.00 10.31 H new ATOM 0 HG2 GLN A 37 -17.229 -12.600 3.818 1.00 53.13 H new ATOM 0 HG3 GLN A 37 -16.850 -10.972 4.344 1.00 53.13 H new ATOM 0 HE21 GLN A 37 -18.624 -9.799 3.849 1.00 23.23 H new ATOM 0 HE22 GLN A 37 -19.352 -9.707 2.242 1.00 23.23 H new ATOM 563 N LYS A 38 -12.880 -14.127 2.225 1.00 43.04 N ATOM 564 CA LYS A 38 -11.497 -14.224 1.773 1.00 50.52 C ATOM 565 C LYS A 38 -11.325 -13.567 0.407 1.00 40.33 C ATOM 566 O LYS A 38 -10.219 -13.178 0.032 1.00 43.25 O ATOM 567 CB LYS A 38 -11.064 -15.690 1.704 1.00 42.43 C ATOM 568 CG LYS A 38 -11.607 -16.539 2.839 1.00 71.20 C ATOM 569 CD LYS A 38 -10.964 -16.174 4.166 1.00 63.22 C ATOM 570 CE LYS A 38 -11.516 -17.018 5.305 1.00 45.01 C ATOM 571 NZ LYS A 38 -12.826 -17.634 4.953 1.00 22.40 N ATOM 0 H LYS A 38 -13.457 -14.935 1.991 1.00 43.04 H new ATOM 0 HA LYS A 38 -10.867 -13.699 2.491 1.00 50.52 H new ATOM 0 HB2 LYS A 38 -11.394 -16.113 0.755 1.00 42.43 H new ATOM 0 HB3 LYS A 38 -9.975 -15.739 1.714 1.00 42.43 H new ATOM 0 HG2 LYS A 38 -12.687 -16.407 2.909 1.00 71.20 H new ATOM 0 HG3 LYS A 38 -11.428 -17.593 2.624 1.00 71.20 H new ATOM 0 HD2 LYS A 38 -9.885 -16.313 4.099 1.00 63.22 H new ATOM 0 HD3 LYS A 38 -11.137 -15.119 4.377 1.00 63.22 H new ATOM 0 HE2 LYS A 38 -10.801 -17.802 5.556 1.00 45.01 H new ATOM 0 HE3 LYS A 38 -11.633 -16.397 6.193 1.00 45.01 H new ATOM 0 HZ1 LYS A 38 -13.194 -18.159 5.772 1.00 22.40 H new ATOM 0 HZ2 LYS A 38 -13.501 -16.888 4.689 1.00 22.40 H new ATOM 0 HZ3 LYS A 38 -12.699 -18.285 4.152 1.00 22.40 H new ATOM 585 N GLU A 39 -12.424 -13.445 -0.330 1.00 41.44 N ATOM 586 CA GLU A 39 -12.394 -12.832 -1.653 1.00 61.51 C ATOM 587 C GLU A 39 -12.307 -11.314 -1.548 1.00 3.52 C ATOM 588 O GLU A 39 -11.314 -10.709 -1.954 1.00 13.44 O ATOM 589 CB GLU A 39 -13.635 -13.231 -2.453 1.00 10.22 C ATOM 590 CG GLU A 39 -14.091 -14.658 -2.199 1.00 2.51 C ATOM 591 CD GLU A 39 -12.950 -15.654 -2.255 1.00 45.23 C ATOM 592 OE1 GLU A 39 -13.097 -16.755 -1.682 1.00 31.44 O ATOM 593 OE2 GLU A 39 -11.911 -15.333 -2.868 1.00 14.22 O ATOM 0 H GLU A 39 -13.347 -13.763 -0.033 1.00 41.44 H new ATOM 0 HA GLU A 39 -11.506 -13.193 -2.172 1.00 61.51 H new ATOM 0 HB2 GLU A 39 -14.449 -12.549 -2.208 1.00 10.22 H new ATOM 0 HB3 GLU A 39 -13.426 -13.109 -3.516 1.00 10.22 H new ATOM 0 HG2 GLU A 39 -14.569 -14.714 -1.221 1.00 2.51 H new ATOM 0 HG3 GLU A 39 -14.844 -14.932 -2.938 1.00 2.51 H new ATOM 601 N GLU A 40 -13.355 -10.704 -1.002 1.00 22.15 N ATOM 602 CA GLU A 40 -13.398 -9.254 -0.845 1.00 70.13 C ATOM 603 C GLU A 40 -12.120 -8.739 -0.190 1.00 63.53 C ATOM 604 O GLU A 40 -11.546 -7.741 -0.623 1.00 32.33 O ATOM 605 CB GLU A 40 -14.613 -8.845 -0.011 1.00 71.15 C ATOM 606 CG GLU A 40 -15.875 -8.642 -0.833 1.00 70.43 C ATOM 607 CD GLU A 40 -16.973 -7.945 -0.051 1.00 51.33 C ATOM 608 OE1 GLU A 40 -16.644 -7.151 0.853 1.00 4.35 O ATOM 609 OE2 GLU A 40 -18.162 -8.196 -0.344 1.00 25.32 O ATOM 0 H GLU A 40 -14.184 -11.190 -0.661 1.00 22.15 H new ATOM 0 HA GLU A 40 -13.481 -8.809 -1.837 1.00 70.13 H new ATOM 0 HB2 GLU A 40 -14.800 -9.610 0.743 1.00 71.15 H new ATOM 0 HB3 GLU A 40 -14.384 -7.922 0.521 1.00 71.15 H new ATOM 0 HG2 GLU A 40 -15.636 -8.055 -1.720 1.00 70.43 H new ATOM 0 HG3 GLU A 40 -16.238 -9.609 -1.180 1.00 70.43 H new ATOM 617 N ALA A 41 -11.680 -9.429 0.858 1.00 1.22 N ATOM 618 CA ALA A 41 -10.470 -9.044 1.573 1.00 10.15 C ATOM 619 C ALA A 41 -9.317 -8.796 0.605 1.00 13.44 C ATOM 620 O ALA A 41 -8.533 -7.862 0.785 1.00 53.22 O ATOM 621 CB ALA A 41 -10.092 -10.115 2.585 1.00 22.25 C ATOM 0 H ALA A 41 -12.144 -10.258 1.230 1.00 1.22 H new ATOM 0 HA ALA A 41 -10.671 -8.114 2.104 1.00 10.15 H new ATOM 0 HB1 ALA A 41 -9.186 -9.814 3.112 1.00 22.25 H new ATOM 0 HB2 ALA A 41 -10.904 -10.241 3.301 1.00 22.25 H new ATOM 0 HB3 ALA A 41 -9.915 -11.058 2.068 1.00 22.25 H new ATOM 627 N LYS A 42 -9.218 -9.636 -0.418 1.00 14.34 N ATOM 628 CA LYS A 42 -8.161 -9.508 -1.414 1.00 32.20 C ATOM 629 C LYS A 42 -8.341 -8.238 -2.240 1.00 15.43 C ATOM 630 O LYS A 42 -7.432 -7.415 -2.334 1.00 1.41 O ATOM 631 CB LYS A 42 -8.149 -10.729 -2.336 1.00 70.00 C ATOM 632 CG LYS A 42 -7.542 -11.967 -1.697 1.00 63.12 C ATOM 633 CD LYS A 42 -7.311 -13.066 -2.722 1.00 54.11 C ATOM 634 CE LYS A 42 -8.550 -13.304 -3.572 1.00 71.03 C ATOM 635 NZ LYS A 42 -8.545 -12.470 -4.805 1.00 62.40 N ATOM 0 H LYS A 42 -9.857 -10.414 -0.580 1.00 14.34 H new ATOM 0 HA LYS A 42 -7.208 -9.447 -0.888 1.00 32.20 H new ATOM 0 HB2 LYS A 42 -9.171 -10.952 -2.643 1.00 70.00 H new ATOM 0 HB3 LYS A 42 -7.591 -10.486 -3.240 1.00 70.00 H new ATOM 0 HG2 LYS A 42 -6.596 -11.706 -1.222 1.00 63.12 H new ATOM 0 HG3 LYS A 42 -8.203 -12.334 -0.911 1.00 63.12 H new ATOM 0 HD2 LYS A 42 -6.474 -12.795 -3.365 1.00 54.11 H new ATOM 0 HD3 LYS A 42 -7.036 -13.989 -2.212 1.00 54.11 H new ATOM 0 HE2 LYS A 42 -8.605 -14.357 -3.846 1.00 71.03 H new ATOM 0 HE3 LYS A 42 -9.441 -13.080 -2.986 1.00 71.03 H new ATOM 0 HZ1 LYS A 42 -9.352 -11.814 -4.784 1.00 62.40 H new ATOM 0 HZ2 LYS A 42 -7.659 -11.928 -4.854 1.00 62.40 H new ATOM 0 HZ3 LYS A 42 -8.621 -13.085 -5.640 1.00 62.40 H new ATOM 649 N ASN A 43 -9.521 -8.085 -2.832 1.00 12.14 N ATOM 650 CA ASN A 43 -9.820 -6.914 -3.647 1.00 23.43 C ATOM 651 C ASN A 43 -9.568 -5.628 -2.866 1.00 3.21 C ATOM 652 O ASN A 43 -8.865 -4.732 -3.336 1.00 11.41 O ATOM 653 CB ASN A 43 -11.272 -6.956 -4.125 1.00 40.34 C ATOM 654 CG ASN A 43 -11.778 -5.596 -4.566 1.00 23.52 C ATOM 655 OD1 ASN A 43 -11.294 -5.030 -5.547 1.00 32.42 O ATOM 656 ND2 ASN A 43 -12.754 -5.064 -3.841 1.00 23.34 N ATOM 0 H ASN A 43 -10.285 -8.757 -2.762 1.00 12.14 H new ATOM 0 HA ASN A 43 -9.159 -6.928 -4.513 1.00 23.43 H new ATOM 0 HB2 ASN A 43 -11.358 -7.658 -4.954 1.00 40.34 H new ATOM 0 HB3 ASN A 43 -11.905 -7.332 -3.321 1.00 40.34 H new ATOM 0 HD21 ASN A 43 -13.133 -4.150 -4.089 1.00 23.34 H new ATOM 0 HD22 ASN A 43 -13.125 -5.569 -3.036 1.00 23.34 H new ATOM 663 N TYR A 44 -10.143 -5.544 -1.672 1.00 44.13 N ATOM 664 CA TYR A 44 -9.983 -4.368 -0.826 1.00 2.11 C ATOM 665 C TYR A 44 -8.526 -3.916 -0.791 1.00 45.05 C ATOM 666 O TYR A 44 -8.229 -2.729 -0.919 1.00 21.22 O ATOM 667 CB TYR A 44 -10.471 -4.664 0.592 1.00 14.10 C ATOM 668 CG TYR A 44 -11.970 -4.549 0.754 1.00 20.34 C ATOM 669 CD1 TYR A 44 -12.634 -3.369 0.439 1.00 65.32 C ATOM 670 CD2 TYR A 44 -12.722 -5.619 1.223 1.00 1.41 C ATOM 671 CE1 TYR A 44 -14.004 -3.259 0.583 1.00 33.32 C ATOM 672 CE2 TYR A 44 -14.092 -5.517 1.370 1.00 73.11 C ATOM 673 CZ TYR A 44 -14.727 -4.336 1.051 1.00 44.03 C ATOM 674 OH TYR A 44 -16.092 -4.231 1.197 1.00 71.45 O ATOM 0 H TYR A 44 -10.725 -6.278 -1.268 1.00 44.13 H new ATOM 0 HA TYR A 44 -10.584 -3.563 -1.249 1.00 2.11 H new ATOM 0 HB2 TYR A 44 -10.160 -5.671 0.871 1.00 14.10 H new ATOM 0 HB3 TYR A 44 -9.986 -3.977 1.285 1.00 14.10 H new ATOM 0 HD1 TYR A 44 -12.069 -2.523 0.075 1.00 65.32 H new ATOM 0 HD2 TYR A 44 -12.228 -6.545 1.477 1.00 1.41 H new ATOM 0 HE1 TYR A 44 -14.505 -2.336 0.331 1.00 33.32 H new ATOM 0 HE2 TYR A 44 -14.663 -6.359 1.733 1.00 73.11 H new ATOM 0 HH TYR A 44 -16.499 -5.119 1.114 1.00 71.45 H new ATOM 684 N TYR A 45 -7.622 -4.874 -0.618 1.00 20.22 N ATOM 685 CA TYR A 45 -6.196 -4.577 -0.563 1.00 21.41 C ATOM 686 C TYR A 45 -5.712 -3.980 -1.882 1.00 64.23 C ATOM 687 O TYR A 45 -5.056 -2.940 -1.905 1.00 13.43 O ATOM 688 CB TYR A 45 -5.401 -5.844 -0.242 1.00 24.24 C ATOM 689 CG TYR A 45 -5.672 -6.395 1.139 1.00 61.25 C ATOM 690 CD1 TYR A 45 -5.654 -5.568 2.255 1.00 13.53 C ATOM 691 CD2 TYR A 45 -5.947 -7.745 1.328 1.00 4.40 C ATOM 692 CE1 TYR A 45 -5.902 -6.068 3.519 1.00 4.40 C ATOM 693 CE2 TYR A 45 -6.196 -8.253 2.588 1.00 53.13 C ATOM 694 CZ TYR A 45 -6.173 -7.411 3.680 1.00 2.25 C ATOM 695 OH TYR A 45 -6.420 -7.913 4.936 1.00 74.12 O ATOM 0 H TYR A 45 -7.852 -5.862 -0.514 1.00 20.22 H new ATOM 0 HA TYR A 45 -6.034 -3.845 0.228 1.00 21.41 H new ATOM 0 HB2 TYR A 45 -5.638 -6.609 -0.982 1.00 24.24 H new ATOM 0 HB3 TYR A 45 -4.337 -5.628 -0.336 1.00 24.24 H new ATOM 0 HD1 TYR A 45 -5.443 -4.516 2.133 1.00 13.53 H new ATOM 0 HD2 TYR A 45 -5.966 -8.407 0.475 1.00 4.40 H new ATOM 0 HE1 TYR A 45 -5.884 -5.411 4.376 1.00 4.40 H new ATOM 0 HE2 TYR A 45 -6.408 -9.304 2.717 1.00 53.13 H new ATOM 0 HH TYR A 45 -7.386 -7.928 5.098 1.00 74.12 H new ATOM 705 N LYS A 46 -6.043 -4.650 -2.982 1.00 13.34 N ATOM 706 CA LYS A 46 -5.647 -4.188 -4.307 1.00 2.43 C ATOM 707 C LYS A 46 -5.906 -2.692 -4.462 1.00 20.01 C ATOM 708 O LYS A 46 -5.259 -2.021 -5.266 1.00 32.54 O ATOM 709 CB LYS A 46 -6.405 -4.962 -5.387 1.00 62.11 C ATOM 710 CG LYS A 46 -5.549 -5.983 -6.117 1.00 32.11 C ATOM 711 CD LYS A 46 -6.337 -6.697 -7.203 1.00 43.33 C ATOM 712 CE LYS A 46 -5.752 -8.067 -7.507 1.00 72.34 C ATOM 713 NZ LYS A 46 -5.621 -8.302 -8.972 1.00 65.22 N ATOM 0 H LYS A 46 -6.584 -5.514 -2.981 1.00 13.34 H new ATOM 0 HA LYS A 46 -4.578 -4.368 -4.422 1.00 2.43 H new ATOM 0 HB2 LYS A 46 -7.253 -5.472 -4.930 1.00 62.11 H new ATOM 0 HB3 LYS A 46 -6.811 -4.256 -6.111 1.00 62.11 H new ATOM 0 HG2 LYS A 46 -4.686 -5.486 -6.560 1.00 32.11 H new ATOM 0 HG3 LYS A 46 -5.165 -6.713 -5.405 1.00 32.11 H new ATOM 0 HD2 LYS A 46 -7.375 -6.805 -6.889 1.00 43.33 H new ATOM 0 HD3 LYS A 46 -6.339 -6.092 -8.110 1.00 43.33 H new ATOM 0 HE2 LYS A 46 -4.773 -8.156 -7.036 1.00 72.34 H new ATOM 0 HE3 LYS A 46 -6.387 -8.838 -7.071 1.00 72.34 H new ATOM 0 HZ1 LYS A 46 -5.219 -9.247 -9.137 1.00 65.22 H new ATOM 0 HZ2 LYS A 46 -6.558 -8.242 -9.418 1.00 65.22 H new ATOM 0 HZ3 LYS A 46 -4.994 -7.582 -9.384 1.00 65.22 H new ATOM 727 N GLN A 47 -6.855 -2.178 -3.687 1.00 21.14 N ATOM 728 CA GLN A 47 -7.198 -0.761 -3.739 1.00 61.04 C ATOM 729 C GLN A 47 -6.271 0.056 -2.846 1.00 63.21 C ATOM 730 O GLN A 47 -5.746 1.090 -3.259 1.00 65.31 O ATOM 731 CB GLN A 47 -8.651 -0.551 -3.315 1.00 50.55 C ATOM 732 CG GLN A 47 -9.640 -1.423 -4.073 1.00 11.45 C ATOM 733 CD GLN A 47 -11.082 -1.093 -3.743 1.00 12.51 C ATOM 734 OE1 GLN A 47 -11.417 0.054 -3.444 1.00 61.40 O ATOM 735 NE2 GLN A 47 -11.947 -2.100 -3.794 1.00 64.51 N ATOM 0 H GLN A 47 -7.400 -2.720 -3.016 1.00 21.14 H new ATOM 0 HA GLN A 47 -7.075 -0.420 -4.767 1.00 61.04 H new ATOM 0 HB2 GLN A 47 -8.742 -0.756 -2.248 1.00 50.55 H new ATOM 0 HB3 GLN A 47 -8.916 0.496 -3.462 1.00 50.55 H new ATOM 0 HG2 GLN A 47 -9.479 -1.301 -5.144 1.00 11.45 H new ATOM 0 HG3 GLN A 47 -9.448 -2.470 -3.839 1.00 11.45 H new ATOM 0 HE21 GLN A 47 -11.627 -3.035 -4.046 1.00 64.51 H new ATOM 0 HE22 GLN A 47 -12.931 -1.938 -3.581 1.00 64.51 H new ATOM 744 N GLY A 48 -6.074 -0.413 -1.617 1.00 43.31 N ATOM 745 CA GLY A 48 -5.211 0.287 -0.685 1.00 2.43 C ATOM 746 C GLY A 48 -3.758 0.277 -1.119 1.00 51.03 C ATOM 747 O GLY A 48 -2.996 1.179 -0.776 1.00 44.33 O ATOM 0 H GLY A 48 -6.497 -1.266 -1.251 1.00 43.31 H new ATOM 0 HA2 GLY A 48 -5.550 1.318 -0.585 1.00 2.43 H new ATOM 0 HA3 GLY A 48 -5.296 -0.173 0.300 1.00 2.43 H new ATOM 751 N ILE A 49 -3.376 -0.749 -1.873 1.00 61.31 N ATOM 752 CA ILE A 49 -2.006 -0.874 -2.354 1.00 33.24 C ATOM 753 C ILE A 49 -1.675 0.221 -3.363 1.00 14.13 C ATOM 754 O ILE A 49 -0.566 0.752 -3.378 1.00 23.20 O ATOM 755 CB ILE A 49 -1.759 -2.247 -3.004 1.00 22.24 C ATOM 756 CG1 ILE A 49 -1.399 -3.283 -1.937 1.00 70.12 C ATOM 757 CG2 ILE A 49 -0.656 -2.150 -4.048 1.00 14.55 C ATOM 758 CD1 ILE A 49 -1.910 -4.673 -2.248 1.00 1.32 C ATOM 0 H ILE A 49 -3.996 -1.505 -2.164 1.00 61.31 H new ATOM 0 HA ILE A 49 -1.357 -0.772 -1.484 1.00 33.24 H new ATOM 0 HB ILE A 49 -2.675 -2.566 -3.501 1.00 22.24 H new ATOM 0 HG12 ILE A 49 -0.315 -3.319 -1.828 1.00 70.12 H new ATOM 0 HG13 ILE A 49 -1.805 -2.961 -0.978 1.00 70.12 H new ATOM 0 HG21 ILE A 49 -0.494 -3.129 -4.498 1.00 14.55 H new ATOM 0 HG22 ILE A 49 -0.948 -1.439 -4.821 1.00 14.55 H new ATOM 0 HG23 ILE A 49 0.265 -1.812 -3.574 1.00 14.55 H new ATOM 0 HD11 ILE A 49 -1.618 -5.355 -1.449 1.00 1.32 H new ATOM 0 HD12 ILE A 49 -2.997 -4.652 -2.328 1.00 1.32 H new ATOM 0 HD13 ILE A 49 -1.484 -5.015 -3.191 1.00 1.32 H new ATOM 770 N GLY A 50 -2.649 0.555 -4.205 1.00 23.13 N ATOM 771 CA GLY A 50 -2.443 1.586 -5.206 1.00 10.20 C ATOM 772 C GLY A 50 -2.311 2.967 -4.597 1.00 33.24 C ATOM 773 O GLY A 50 -1.529 3.791 -5.072 1.00 0.03 O ATOM 0 H GLY A 50 -3.576 0.130 -4.212 1.00 23.13 H new ATOM 0 HA2 GLY A 50 -1.544 1.357 -5.779 1.00 10.20 H new ATOM 0 HA3 GLY A 50 -3.278 1.580 -5.907 1.00 10.20 H new ATOM 777 N HIS A 51 -3.075 3.223 -3.540 1.00 75.25 N ATOM 778 CA HIS A 51 -3.040 4.515 -2.866 1.00 54.30 C ATOM 779 C HIS A 51 -1.821 4.619 -1.955 1.00 15.25 C ATOM 780 O HIS A 51 -1.254 5.700 -1.780 1.00 61.22 O ATOM 781 CB HIS A 51 -4.318 4.723 -2.051 1.00 44.34 C ATOM 782 CG HIS A 51 -5.559 4.785 -2.890 1.00 24.14 C ATOM 783 ND1 HIS A 51 -5.816 5.809 -3.777 1.00 71.02 N ATOM 784 CD2 HIS A 51 -6.614 3.944 -2.972 1.00 75.34 C ATOM 785 CE1 HIS A 51 -6.977 5.593 -4.369 1.00 11.53 C ATOM 786 NE2 HIS A 51 -7.482 4.467 -3.897 1.00 44.04 N ATOM 0 H HIS A 51 -3.726 2.552 -3.132 1.00 75.25 H new ATOM 0 HA HIS A 51 -2.971 5.293 -3.627 1.00 54.30 H new ATOM 0 HB2 HIS A 51 -4.416 3.911 -1.331 1.00 44.34 H new ATOM 0 HB3 HIS A 51 -4.229 5.647 -1.480 1.00 44.34 H new ATOM 0 HD2 HIS A 51 -6.749 3.030 -2.413 1.00 75.34 H new ATOM 0 HE1 HIS A 51 -7.435 6.229 -5.112 1.00 11.53 H new ATOM 0 HE2 HIS A 51 -8.372 4.054 -4.175 1.00 44.04 H new ATOM 795 N LEU A 52 -1.423 3.492 -1.375 1.00 22.41 N ATOM 796 CA LEU A 52 -0.271 3.457 -0.481 1.00 62.52 C ATOM 797 C LEU A 52 0.984 3.956 -1.190 1.00 43.21 C ATOM 798 O LEU A 52 1.625 4.910 -0.745 1.00 75.24 O ATOM 799 CB LEU A 52 -0.045 2.036 0.036 1.00 50.24 C ATOM 800 CG LEU A 52 -0.703 1.696 1.374 1.00 21.30 C ATOM 801 CD1 LEU A 52 -0.577 0.211 1.670 1.00 62.50 C ATOM 802 CD2 LEU A 52 -0.085 2.519 2.495 1.00 31.12 C ATOM 0 H LEU A 52 -1.881 2.590 -1.508 1.00 22.41 H new ATOM 0 HA LEU A 52 -0.477 4.116 0.362 1.00 62.52 H new ATOM 0 HB2 LEU A 52 -0.411 1.335 -0.714 1.00 50.24 H new ATOM 0 HB3 LEU A 52 1.028 1.871 0.129 1.00 50.24 H new ATOM 0 HG LEU A 52 -1.763 1.943 1.309 1.00 21.30 H new ATOM 0 HD11 LEU A 52 -1.051 -0.011 2.626 1.00 62.50 H new ATOM 0 HD12 LEU A 52 -1.066 -0.360 0.881 1.00 62.50 H new ATOM 0 HD13 LEU A 52 0.477 -0.063 1.716 1.00 62.50 H new ATOM 0 HD21 LEU A 52 -0.565 2.265 3.440 1.00 31.12 H new ATOM 0 HD22 LEU A 52 0.981 2.303 2.560 1.00 31.12 H new ATOM 0 HD23 LEU A 52 -0.228 3.580 2.289 1.00 31.12 H new ATOM 814 N LEU A 53 1.328 3.310 -2.298 1.00 31.53 N ATOM 815 CA LEU A 53 2.506 3.690 -3.072 1.00 75.20 C ATOM 816 C LEU A 53 2.405 5.137 -3.543 1.00 54.52 C ATOM 817 O LEU A 53 3.390 5.876 -3.527 1.00 63.34 O ATOM 818 CB LEU A 53 2.671 2.761 -4.276 1.00 23.13 C ATOM 819 CG LEU A 53 2.827 1.273 -3.960 1.00 3.41 C ATOM 820 CD1 LEU A 53 2.686 0.440 -5.224 1.00 11.11 C ATOM 821 CD2 LEU A 53 4.166 1.007 -3.291 1.00 31.45 C ATOM 0 H LEU A 53 0.809 2.520 -2.681 1.00 31.53 H new ATOM 0 HA LEU A 53 3.379 3.597 -2.426 1.00 75.20 H new ATOM 0 HB2 LEU A 53 1.805 2.885 -4.926 1.00 23.13 H new ATOM 0 HB3 LEU A 53 3.544 3.085 -4.842 1.00 23.13 H new ATOM 0 HG LEU A 53 2.035 0.984 -3.269 1.00 3.41 H new ATOM 0 HD11 LEU A 53 2.800 -0.616 -4.979 1.00 11.11 H new ATOM 0 HD12 LEU A 53 1.702 0.607 -5.662 1.00 11.11 H new ATOM 0 HD13 LEU A 53 3.455 0.731 -5.939 1.00 11.11 H new ATOM 0 HD21 LEU A 53 4.259 -0.057 -3.074 1.00 31.45 H new ATOM 0 HD22 LEU A 53 4.973 1.313 -3.957 1.00 31.45 H new ATOM 0 HD23 LEU A 53 4.228 1.574 -2.362 1.00 31.45 H new ATOM 833 N ARG A 54 1.207 5.536 -3.957 1.00 41.41 N ATOM 834 CA ARG A 54 0.977 6.896 -4.431 1.00 12.23 C ATOM 835 C ARG A 54 1.528 7.917 -3.440 1.00 53.41 C ATOM 836 O ARG A 54 1.955 9.004 -3.827 1.00 12.41 O ATOM 837 CB ARG A 54 -0.518 7.136 -4.648 1.00 1.13 C ATOM 838 CG ARG A 54 -0.850 8.558 -5.073 1.00 42.04 C ATOM 839 CD ARG A 54 -2.323 8.701 -5.432 1.00 23.43 C ATOM 840 NE ARG A 54 -2.546 8.603 -6.872 1.00 63.12 N ATOM 841 CZ ARG A 54 -3.752 8.587 -7.429 1.00 21.42 C ATOM 842 NH1 ARG A 54 -4.836 8.663 -6.671 1.00 52.14 N ATOM 843 NH2 ARG A 54 -3.875 8.494 -8.747 1.00 32.15 N ATOM 0 H ARG A 54 0.381 4.938 -3.974 1.00 41.41 H new ATOM 0 HA ARG A 54 1.500 7.017 -5.380 1.00 12.23 H new ATOM 0 HB2 ARG A 54 -0.882 6.444 -5.407 1.00 1.13 H new ATOM 0 HB3 ARG A 54 -1.052 6.907 -3.726 1.00 1.13 H new ATOM 0 HG2 ARG A 54 -0.602 9.248 -4.266 1.00 42.04 H new ATOM 0 HG3 ARG A 54 -0.236 8.836 -5.930 1.00 42.04 H new ATOM 0 HD2 ARG A 54 -2.897 7.927 -4.923 1.00 23.43 H new ATOM 0 HD3 ARG A 54 -2.693 9.661 -5.072 1.00 23.43 H new ATOM 0 HE ARG A 54 -1.732 8.544 -7.483 1.00 63.12 H new ATOM 0 HH11 ARG A 54 -4.746 8.734 -5.657 1.00 52.14 H new ATOM 0 HH12 ARG A 54 -5.761 8.651 -7.101 1.00 52.14 H new ATOM 0 HH21 ARG A 54 -3.043 8.435 -9.334 1.00 32.15 H new ATOM 0 HH22 ARG A 54 -4.802 8.482 -9.173 1.00 32.15 H new ATOM 857 N GLY A 55 1.516 7.559 -2.160 1.00 50.12 N ATOM 858 CA GLY A 55 2.017 8.455 -1.134 1.00 62.43 C ATOM 859 C GLY A 55 3.472 8.194 -0.795 1.00 72.10 C ATOM 860 O GLY A 55 4.234 9.127 -0.540 1.00 40.31 O ATOM 0 H GLY A 55 1.168 6.664 -1.815 1.00 50.12 H new ATOM 0 HA2 GLY A 55 1.905 9.486 -1.470 1.00 62.43 H new ATOM 0 HA3 GLY A 55 1.412 8.346 -0.234 1.00 62.43 H new ATOM 864 N ILE A 56 3.857 6.923 -0.792 1.00 1.41 N ATOM 865 CA ILE A 56 5.229 6.542 -0.481 1.00 72.51 C ATOM 866 C ILE A 56 6.181 6.954 -1.599 1.00 11.42 C ATOM 867 O ILE A 56 7.387 7.079 -1.387 1.00 63.53 O ATOM 868 CB ILE A 56 5.355 5.024 -0.252 1.00 50.54 C ATOM 869 CG1 ILE A 56 4.340 4.559 0.796 1.00 22.11 C ATOM 870 CG2 ILE A 56 6.769 4.668 0.179 1.00 12.23 C ATOM 871 CD1 ILE A 56 4.102 3.066 0.785 1.00 54.23 C ATOM 0 H ILE A 56 3.238 6.139 -1.001 1.00 1.41 H new ATOM 0 HA ILE A 56 5.500 7.064 0.437 1.00 72.51 H new ATOM 0 HB ILE A 56 5.143 4.511 -1.190 1.00 50.54 H new ATOM 0 HG12 ILE A 56 4.689 4.856 1.785 1.00 22.11 H new ATOM 0 HG13 ILE A 56 3.393 5.071 0.625 1.00 22.11 H new ATOM 0 HG21 ILE A 56 6.841 3.592 0.337 1.00 12.23 H new ATOM 0 HG22 ILE A 56 7.473 4.969 -0.597 1.00 12.23 H new ATOM 0 HG23 ILE A 56 7.008 5.188 1.107 1.00 12.23 H new ATOM 0 HD11 ILE A 56 3.372 2.808 1.553 1.00 54.23 H new ATOM 0 HD12 ILE A 56 3.723 2.765 -0.192 1.00 54.23 H new ATOM 0 HD13 ILE A 56 5.039 2.547 0.986 1.00 54.23 H new ATOM 883 N SER A 57 5.630 7.169 -2.789 1.00 11.53 N ATOM 884 CA SER A 57 6.429 7.568 -3.942 1.00 21.10 C ATOM 885 C SER A 57 6.361 9.077 -4.154 1.00 3.13 C ATOM 886 O SER A 57 5.894 9.549 -5.192 1.00 12.12 O ATOM 887 CB SER A 57 5.946 6.842 -5.200 1.00 71.21 C ATOM 888 OG SER A 57 6.783 7.129 -6.306 1.00 23.41 O ATOM 0 H SER A 57 4.633 7.074 -2.980 1.00 11.53 H new ATOM 0 HA SER A 57 7.466 7.292 -3.748 1.00 21.10 H new ATOM 0 HB2 SER A 57 5.931 5.767 -5.020 1.00 71.21 H new ATOM 0 HB3 SER A 57 4.923 7.142 -5.427 1.00 71.21 H new ATOM 0 HG SER A 57 6.739 8.086 -6.510 1.00 23.41 H new ATOM 894 N ILE A 58 6.832 9.830 -3.165 1.00 74.44 N ATOM 895 CA ILE A 58 6.826 11.284 -3.243 1.00 4.31 C ATOM 896 C ILE A 58 8.226 11.852 -3.030 1.00 53.23 C ATOM 897 O ILE A 58 9.045 11.262 -2.326 1.00 41.12 O ATOM 898 CB ILE A 58 5.871 11.901 -2.203 1.00 65.43 C ATOM 899 CG1 ILE A 58 4.486 11.260 -2.309 1.00 44.20 C ATOM 900 CG2 ILE A 58 5.779 13.407 -2.396 1.00 43.02 C ATOM 901 CD1 ILE A 58 3.649 11.812 -3.441 1.00 24.21 C ATOM 0 H ILE A 58 7.223 9.456 -2.300 1.00 74.44 H new ATOM 0 HA ILE A 58 6.478 11.544 -4.243 1.00 4.31 H new ATOM 0 HB ILE A 58 6.267 11.706 -1.206 1.00 65.43 H new ATOM 0 HG12 ILE A 58 4.602 10.185 -2.445 1.00 44.20 H new ATOM 0 HG13 ILE A 58 3.954 11.407 -1.369 1.00 44.20 H new ATOM 0 HG21 ILE A 58 5.101 13.828 -1.654 1.00 43.02 H new ATOM 0 HG22 ILE A 58 6.768 13.850 -2.277 1.00 43.02 H new ATOM 0 HG23 ILE A 58 5.403 13.623 -3.396 1.00 43.02 H new ATOM 0 HD11 ILE A 58 2.681 11.311 -3.455 1.00 24.21 H new ATOM 0 HD12 ILE A 58 3.502 12.882 -3.296 1.00 24.21 H new ATOM 0 HD13 ILE A 58 4.160 11.641 -4.388 1.00 24.21 H new ATOM 913 N SER A 59 8.491 13.002 -3.642 1.00 22.23 N ATOM 914 CA SER A 59 9.793 13.648 -3.521 1.00 53.33 C ATOM 915 C SER A 59 9.847 14.533 -2.279 1.00 14.11 C ATOM 916 O SER A 59 9.096 15.502 -2.161 1.00 23.45 O ATOM 917 CB SER A 59 10.089 14.483 -4.768 1.00 10.11 C ATOM 918 OG SER A 59 10.520 13.662 -5.841 1.00 13.53 O ATOM 0 H SER A 59 7.823 13.505 -4.226 1.00 22.23 H new ATOM 0 HA SER A 59 10.550 12.869 -3.425 1.00 53.33 H new ATOM 0 HB2 SER A 59 9.195 15.032 -5.063 1.00 10.11 H new ATOM 0 HB3 SER A 59 10.857 15.223 -4.541 1.00 10.11 H new ATOM 0 HG SER A 59 10.701 14.219 -6.627 1.00 13.53 H new ATOM 924 N SER A 60 10.739 14.191 -1.354 1.00 4.34 N ATOM 925 CA SER A 60 10.889 14.951 -0.119 1.00 44.15 C ATOM 926 C SER A 60 12.360 15.247 0.161 1.00 75.33 C ATOM 927 O SER A 60 12.993 14.580 0.979 1.00 33.21 O ATOM 928 CB SER A 60 10.279 14.182 1.055 1.00 50.41 C ATOM 929 OG SER A 60 10.305 14.958 2.240 1.00 55.25 O ATOM 0 H SER A 60 11.368 13.393 -1.437 1.00 4.34 H new ATOM 0 HA SER A 60 10.362 15.898 -0.237 1.00 44.15 H new ATOM 0 HB2 SER A 60 9.251 13.907 0.819 1.00 50.41 H new ATOM 0 HB3 SER A 60 10.829 13.254 1.212 1.00 50.41 H new ATOM 0 HG SER A 60 9.459 15.445 2.331 1.00 55.25 H new ATOM 935 N LYS A 61 12.895 16.251 -0.523 1.00 3.32 N ATOM 936 CA LYS A 61 14.291 16.638 -0.348 1.00 52.42 C ATOM 937 C LYS A 61 14.404 17.875 0.538 1.00 3.12 C ATOM 938 O LYS A 61 14.081 18.985 0.114 1.00 34.21 O ATOM 939 CB LYS A 61 14.938 16.909 -1.707 1.00 23.42 C ATOM 940 CG LYS A 61 14.140 17.856 -2.585 1.00 2.13 C ATOM 941 CD LYS A 61 15.048 18.764 -3.398 1.00 44.30 C ATOM 942 CE LYS A 61 14.881 18.528 -4.891 1.00 54.24 C ATOM 943 NZ LYS A 61 15.290 17.151 -5.284 1.00 12.23 N ATOM 0 H LYS A 61 12.384 16.812 -1.204 1.00 3.32 H new ATOM 0 HA LYS A 61 14.814 15.815 0.139 1.00 52.42 H new ATOM 0 HB2 LYS A 61 15.933 17.325 -1.549 1.00 23.42 H new ATOM 0 HB3 LYS A 61 15.068 15.963 -2.233 1.00 23.42 H new ATOM 0 HG2 LYS A 61 13.504 17.281 -3.257 1.00 2.13 H new ATOM 0 HG3 LYS A 61 13.481 18.462 -1.963 1.00 2.13 H new ATOM 0 HD2 LYS A 61 14.825 19.805 -3.166 1.00 44.30 H new ATOM 0 HD3 LYS A 61 16.086 18.590 -3.115 1.00 44.30 H new ATOM 0 HE2 LYS A 61 13.840 18.691 -5.170 1.00 54.24 H new ATOM 0 HE3 LYS A 61 15.477 19.255 -5.443 1.00 54.24 H new ATOM 0 HZ1 LYS A 61 15.357 17.091 -6.320 1.00 12.23 H new ATOM 0 HZ2 LYS A 61 16.216 16.931 -4.864 1.00 12.23 H new ATOM 0 HZ3 LYS A 61 14.584 16.468 -4.943 1.00 12.23 H new ATOM 957 N GLU A 62 14.867 17.676 1.767 1.00 33.41 N ATOM 958 CA GLU A 62 15.024 18.777 2.712 1.00 61.11 C ATOM 959 C GLU A 62 16.150 19.710 2.276 1.00 22.44 C ATOM 960 O GLU A 62 17.241 19.694 2.846 1.00 52.01 O ATOM 961 CB GLU A 62 15.310 18.236 4.115 1.00 0.32 C ATOM 962 CG GLU A 62 14.153 17.455 4.713 1.00 40.24 C ATOM 963 CD GLU A 62 14.207 17.397 6.227 1.00 41.11 C ATOM 964 OE1 GLU A 62 14.040 16.292 6.785 1.00 71.14 O ATOM 965 OE2 GLU A 62 14.418 18.457 6.854 1.00 70.14 O ATOM 0 H GLU A 62 15.140 16.764 2.133 1.00 33.41 H new ATOM 0 HA GLU A 62 14.093 19.343 2.731 1.00 61.11 H new ATOM 0 HB2 GLU A 62 16.189 17.593 4.075 1.00 0.32 H new ATOM 0 HB3 GLU A 62 15.554 19.069 4.774 1.00 0.32 H new ATOM 0 HG2 GLU A 62 13.213 17.912 4.404 1.00 40.24 H new ATOM 0 HG3 GLU A 62 14.160 16.441 4.314 1.00 40.24 H new ATOM 973 N SER A 63 15.877 20.523 1.261 1.00 3.43 N ATOM 974 CA SER A 63 16.867 21.461 0.744 1.00 12.13 C ATOM 975 C SER A 63 16.528 22.890 1.159 1.00 21.21 C ATOM 976 O SER A 63 17.409 23.744 1.255 1.00 45.01 O ATOM 977 CB SER A 63 16.944 21.365 -0.780 1.00 22.31 C ATOM 978 OG SER A 63 18.166 21.898 -1.262 1.00 21.11 O ATOM 0 H SER A 63 14.978 20.551 0.780 1.00 3.43 H new ATOM 0 HA SER A 63 17.837 21.198 1.166 1.00 12.13 H new ATOM 0 HB2 SER A 63 16.851 20.323 -1.087 1.00 22.31 H new ATOM 0 HB3 SER A 63 16.108 21.904 -1.225 1.00 22.31 H new ATOM 0 HG SER A 63 18.192 21.824 -2.239 1.00 21.11 H new ATOM 984 N GLU A 64 15.245 23.141 1.404 1.00 22.11 N ATOM 985 CA GLU A 64 14.791 24.466 1.806 1.00 12.45 C ATOM 986 C GLU A 64 13.386 24.403 2.399 1.00 72.34 C ATOM 987 O GLU A 64 12.437 24.944 1.832 1.00 15.33 O ATOM 988 CB GLU A 64 14.809 25.421 0.611 1.00 4.05 C ATOM 989 CG GLU A 64 14.933 26.885 1.002 1.00 35.14 C ATOM 990 CD GLU A 64 16.163 27.161 1.847 1.00 23.01 C ATOM 991 OE1 GLU A 64 17.281 26.847 1.386 1.00 50.43 O ATOM 992 OE2 GLU A 64 16.008 27.689 2.967 1.00 73.20 O ATOM 0 H GLU A 64 14.503 22.445 1.331 1.00 22.11 H new ATOM 0 HA GLU A 64 15.473 24.839 2.570 1.00 12.45 H new ATOM 0 HB2 GLU A 64 15.641 25.157 -0.042 1.00 4.05 H new ATOM 0 HB3 GLU A 64 13.895 25.284 0.034 1.00 4.05 H new ATOM 0 HG2 GLU A 64 14.972 27.496 0.100 1.00 35.14 H new ATOM 0 HG3 GLU A 64 14.043 27.187 1.554 1.00 35.14 H new ATOM 1000 N HIS A 65 13.262 23.736 3.542 1.00 1.12 N ATOM 1001 CA HIS A 65 11.974 23.601 4.213 1.00 23.11 C ATOM 1002 C HIS A 65 12.162 23.270 5.690 1.00 40.50 C ATOM 1003 O HIS A 65 12.599 22.174 6.041 1.00 75.32 O ATOM 1004 CB HIS A 65 11.135 22.515 3.538 1.00 72.41 C ATOM 1005 CG HIS A 65 10.176 23.046 2.518 1.00 21.32 C ATOM 1006 ND1 HIS A 65 8.851 23.308 2.797 1.00 31.33 N ATOM 1007 CD2 HIS A 65 10.355 23.366 1.215 1.00 34.11 C ATOM 1008 CE1 HIS A 65 8.257 23.766 1.710 1.00 42.44 C ATOM 1009 NE2 HIS A 65 9.148 23.810 0.735 1.00 53.41 N ATOM 0 H HIS A 65 14.038 23.281 4.023 1.00 1.12 H new ATOM 0 HA HIS A 65 11.451 24.554 4.137 1.00 23.11 H new ATOM 0 HB2 HIS A 65 11.802 21.798 3.059 1.00 72.41 H new ATOM 0 HB3 HIS A 65 10.577 21.972 4.301 1.00 72.41 H new ATOM 0 HD2 HIS A 65 11.276 23.287 0.657 1.00 34.11 H new ATOM 0 HE1 HIS A 65 7.219 24.055 1.631 1.00 42.44 H new ATOM 0 HE2 HIS A 65 8.968 24.123 -0.219 1.00 53.41 H new ATOM 1018 N THR A 66 11.831 24.227 6.553 1.00 30.21 N ATOM 1019 CA THR A 66 11.966 24.038 7.991 1.00 20.22 C ATOM 1020 C THR A 66 10.686 24.428 8.719 1.00 71.14 C ATOM 1021 O THR A 66 10.410 25.609 8.924 1.00 22.23 O ATOM 1022 CB THR A 66 13.137 24.862 8.560 1.00 42.24 C ATOM 1023 OG1 THR A 66 13.002 26.235 8.175 1.00 23.12 O ATOM 1024 CG2 THR A 66 14.470 24.321 8.065 1.00 51.31 C ATOM 0 H THR A 66 11.468 25.140 6.280 1.00 30.21 H new ATOM 0 HA THR A 66 12.165 22.979 8.152 1.00 20.22 H new ATOM 0 HB THR A 66 13.112 24.785 9.647 1.00 42.24 H new ATOM 0 HG1 THR A 66 12.077 26.526 8.320 1.00 23.12 H new ATOM 0 HG21 THR A 66 15.282 24.919 8.480 1.00 51.31 H new ATOM 0 HG22 THR A 66 14.583 23.285 8.383 1.00 51.31 H new ATOM 0 HG23 THR A 66 14.502 24.372 6.977 1.00 51.31 H new ATOM 1032 N GLY A 67 9.903 23.425 9.111 1.00 3.41 N ATOM 1033 CA GLY A 67 8.659 23.684 9.812 1.00 44.43 C ATOM 1034 C GLY A 67 7.831 22.430 10.006 1.00 50.52 C ATOM 1035 O GLY A 67 8.204 21.340 9.571 1.00 52.44 O ATOM 0 H GLY A 67 10.109 22.438 8.955 1.00 3.41 H new ATOM 0 HA2 GLY A 67 8.879 24.125 10.784 1.00 44.43 H new ATOM 0 HA3 GLY A 67 8.077 24.417 9.254 1.00 44.43 H new ATOM 1039 N PRO A 68 6.677 22.576 10.674 1.00 51.20 N ATOM 1040 CA PRO A 68 5.769 21.457 10.942 1.00 33.50 C ATOM 1041 C PRO A 68 5.085 20.950 9.677 1.00 40.11 C ATOM 1042 O PRO A 68 4.475 19.881 9.674 1.00 12.01 O ATOM 1043 CB PRO A 68 4.741 22.055 11.904 1.00 51.34 C ATOM 1044 CG PRO A 68 4.756 23.516 11.613 1.00 60.13 C ATOM 1045 CD PRO A 68 6.170 23.845 11.222 1.00 42.24 C ATOM 0 HA PRO A 68 6.296 20.592 11.345 1.00 33.50 H new ATOM 0 HB2 PRO A 68 3.751 21.629 11.741 1.00 51.34 H new ATOM 0 HB3 PRO A 68 5.007 21.855 12.942 1.00 51.34 H new ATOM 0 HG2 PRO A 68 4.062 23.761 10.809 1.00 60.13 H new ATOM 0 HG3 PRO A 68 4.449 24.091 12.486 1.00 60.13 H new ATOM 0 HD2 PRO A 68 6.207 24.645 10.483 1.00 42.24 H new ATOM 0 HD3 PRO A 68 6.757 24.176 12.079 1.00 42.24 H new ATOM 1053 N GLY A 69 5.192 21.724 8.602 1.00 5.23 N ATOM 1054 CA GLY A 69 4.578 21.338 7.345 1.00 73.53 C ATOM 1055 C GLY A 69 4.964 19.935 6.920 1.00 44.15 C ATOM 1056 O GLY A 69 4.100 19.085 6.701 1.00 12.41 O ATOM 0 H GLY A 69 5.693 22.612 8.579 1.00 5.23 H new ATOM 0 HA2 GLY A 69 3.494 21.401 7.439 1.00 73.53 H new ATOM 0 HA3 GLY A 69 4.872 22.044 6.568 1.00 73.53 H new ATOM 1060 N TRP A 70 6.264 19.691 6.800 1.00 42.53 N ATOM 1061 CA TRP A 70 6.761 18.381 6.396 1.00 31.32 C ATOM 1062 C TRP A 70 6.675 17.387 7.548 1.00 73.10 C ATOM 1063 O TRP A 70 6.550 16.182 7.331 1.00 51.12 O ATOM 1064 CB TRP A 70 8.207 18.491 5.908 1.00 72.41 C ATOM 1065 CG TRP A 70 8.319 18.887 4.468 1.00 4.14 C ATOM 1066 CD1 TRP A 70 8.600 20.133 3.979 1.00 74.52 C ATOM 1067 CD2 TRP A 70 8.150 18.037 3.328 1.00 14.22 C ATOM 1068 NE1 TRP A 70 8.616 20.107 2.606 1.00 71.40 N ATOM 1069 CE2 TRP A 70 8.344 18.833 2.181 1.00 34.13 C ATOM 1070 CE3 TRP A 70 7.855 16.682 3.164 1.00 12.00 C ATOM 1071 CZ2 TRP A 70 8.252 18.316 0.892 1.00 74.15 C ATOM 1072 CZ3 TRP A 70 7.763 16.169 1.885 1.00 42.11 C ATOM 1073 CH2 TRP A 70 7.961 16.984 0.762 1.00 31.33 C ATOM 0 H TRP A 70 6.993 20.383 6.977 1.00 42.53 H new ATOM 0 HA TRP A 70 6.135 18.018 5.581 1.00 31.32 H new ATOM 0 HB2 TRP A 70 8.735 19.222 6.520 1.00 72.41 H new ATOM 0 HB3 TRP A 70 8.706 17.533 6.054 1.00 72.41 H new ATOM 0 HD1 TRP A 70 8.783 21.009 4.584 1.00 74.52 H new ATOM 0 HE1 TRP A 70 8.801 20.907 2.000 1.00 71.40 H new ATOM 0 HE3 TRP A 70 7.701 16.046 4.023 1.00 12.00 H new ATOM 0 HZ2 TRP A 70 8.405 18.943 0.026 1.00 74.15 H new ATOM 0 HZ3 TRP A 70 7.535 15.122 1.748 1.00 42.11 H new ATOM 0 HH2 TRP A 70 7.883 16.553 -0.225 1.00 31.33 H new ATOM 1084 N GLU A 71 6.743 17.899 8.773 1.00 60.41 N ATOM 1085 CA GLU A 71 6.673 17.053 9.958 1.00 11.24 C ATOM 1086 C GLU A 71 5.419 16.183 9.933 1.00 11.41 C ATOM 1087 O GLU A 71 5.504 14.955 9.917 1.00 14.21 O ATOM 1088 CB GLU A 71 6.685 17.912 11.226 1.00 65.03 C ATOM 1089 CG GLU A 71 6.889 17.111 12.501 1.00 53.22 C ATOM 1090 CD GLU A 71 5.580 16.752 13.180 1.00 23.43 C ATOM 1091 OE1 GLU A 71 5.607 15.923 14.112 1.00 55.25 O ATOM 1092 OE2 GLU A 71 4.534 17.299 12.777 1.00 41.13 O ATOM 0 H GLU A 71 6.846 18.894 8.970 1.00 60.41 H new ATOM 0 HA GLU A 71 7.547 16.401 9.960 1.00 11.24 H new ATOM 0 HB2 GLU A 71 7.477 18.656 11.143 1.00 65.03 H new ATOM 0 HB3 GLU A 71 5.743 18.456 11.295 1.00 65.03 H new ATOM 0 HG2 GLU A 71 7.436 16.197 12.268 1.00 53.22 H new ATOM 0 HG3 GLU A 71 7.507 17.685 13.192 1.00 53.22 H new ATOM 1100 N SER A 72 4.258 16.829 9.930 1.00 50.13 N ATOM 1101 CA SER A 72 2.985 16.115 9.911 1.00 11.15 C ATOM 1102 C SER A 72 2.850 15.281 8.640 1.00 2.23 C ATOM 1103 O SER A 72 2.515 14.099 8.694 1.00 63.43 O ATOM 1104 CB SER A 72 1.822 17.103 10.014 1.00 11.30 C ATOM 1105 OG SER A 72 2.076 18.091 10.997 1.00 72.21 O ATOM 0 H SER A 72 4.171 17.845 9.940 1.00 50.13 H new ATOM 0 HA SER A 72 2.958 15.444 10.769 1.00 11.15 H new ATOM 0 HB2 SER A 72 1.660 17.581 9.048 1.00 11.30 H new ATOM 0 HB3 SER A 72 0.906 16.566 10.262 1.00 11.30 H new ATOM 0 HG SER A 72 2.748 17.759 11.628 1.00 72.21 H new ATOM 1111 N ALA A 73 3.112 15.909 7.499 1.00 25.30 N ATOM 1112 CA ALA A 73 3.023 15.225 6.214 1.00 2.33 C ATOM 1113 C ALA A 73 3.866 13.954 6.207 1.00 21.15 C ATOM 1114 O ALA A 73 3.592 13.020 5.454 1.00 41.45 O ATOM 1115 CB ALA A 73 3.457 16.155 5.089 1.00 53.52 C ATOM 0 H ALA A 73 3.387 16.889 7.438 1.00 25.30 H new ATOM 0 HA ALA A 73 1.983 14.940 6.055 1.00 2.33 H new ATOM 0 HB1 ALA A 73 3.385 15.631 4.136 1.00 53.52 H new ATOM 0 HB2 ALA A 73 2.809 17.031 5.071 1.00 53.52 H new ATOM 0 HB3 ALA A 73 4.488 16.469 5.254 1.00 53.52 H new ATOM 1121 N ARG A 74 4.894 13.928 7.049 1.00 3.15 N ATOM 1122 CA ARG A 74 5.778 12.773 7.137 1.00 34.11 C ATOM 1123 C ARG A 74 5.255 11.765 8.156 1.00 71.15 C ATOM 1124 O ARG A 74 5.366 10.555 7.959 1.00 54.21 O ATOM 1125 CB ARG A 74 7.192 13.214 7.522 1.00 2.02 C ATOM 1126 CG ARG A 74 8.082 13.513 6.326 1.00 71.54 C ATOM 1127 CD ARG A 74 9.431 14.064 6.761 1.00 3.15 C ATOM 1128 NE ARG A 74 10.521 13.565 5.926 1.00 52.21 N ATOM 1129 CZ ARG A 74 11.036 12.346 6.046 1.00 22.32 C ATOM 1130 NH1 ARG A 74 10.564 11.508 6.956 1.00 53.01 N ATOM 1131 NH2 ARG A 74 12.028 11.964 5.250 1.00 75.13 N ATOM 0 H ARG A 74 5.135 14.693 7.679 1.00 3.15 H new ATOM 0 HA ARG A 74 5.807 12.294 6.158 1.00 34.11 H new ATOM 0 HB2 ARG A 74 7.128 14.104 8.149 1.00 2.02 H new ATOM 0 HB3 ARG A 74 7.656 12.433 8.124 1.00 2.02 H new ATOM 0 HG2 ARG A 74 8.230 12.603 5.744 1.00 71.54 H new ATOM 0 HG3 ARG A 74 7.587 14.232 5.673 1.00 71.54 H new ATOM 0 HD2 ARG A 74 9.409 15.153 6.716 1.00 3.15 H new ATOM 0 HD3 ARG A 74 9.616 13.791 7.800 1.00 3.15 H new ATOM 0 HE ARG A 74 10.907 14.185 5.214 1.00 52.21 H new ATOM 0 HH11 ARG A 74 9.802 11.797 7.569 1.00 53.01 H new ATOM 0 HH12 ARG A 74 10.963 10.573 7.044 1.00 53.01 H new ATOM 0 HH21 ARG A 74 12.394 12.606 4.547 1.00 75.13 H new ATOM 0 HH22 ARG A 74 12.424 11.028 5.342 1.00 75.13 H new ATOM 1145 N GLN A 75 4.687 12.272 9.245 1.00 52.01 N ATOM 1146 CA GLN A 75 4.147 11.415 10.296 1.00 22.14 C ATOM 1147 C GLN A 75 3.085 10.474 9.738 1.00 43.44 C ATOM 1148 O GLN A 75 2.807 9.425 10.316 1.00 33.30 O ATOM 1149 CB GLN A 75 3.554 12.264 11.421 1.00 14.11 C ATOM 1150 CG GLN A 75 2.043 12.402 11.347 1.00 63.33 C ATOM 1151 CD GLN A 75 1.464 13.126 12.546 1.00 42.03 C ATOM 1152 OE1 GLN A 75 0.694 14.076 12.400 1.00 55.14 O ATOM 1153 NE2 GLN A 75 1.831 12.679 13.742 1.00 13.35 N ATOM 0 H GLN A 75 4.588 13.271 9.424 1.00 52.01 H new ATOM 0 HA GLN A 75 4.964 10.815 10.696 1.00 22.14 H new ATOM 0 HB2 GLN A 75 3.823 11.821 12.380 1.00 14.11 H new ATOM 0 HB3 GLN A 75 4.003 13.257 11.391 1.00 14.11 H new ATOM 0 HG2 GLN A 75 1.775 12.941 10.438 1.00 63.33 H new ATOM 0 HG3 GLN A 75 1.595 11.411 11.274 1.00 63.33 H new ATOM 0 HE21 GLN A 75 2.471 11.889 13.817 1.00 13.35 H new ATOM 0 HE22 GLN A 75 1.472 13.126 14.586 1.00 13.35 H new ATOM 1162 N MET A 76 2.493 10.858 8.612 1.00 34.03 N ATOM 1163 CA MET A 76 1.461 10.048 7.976 1.00 31.43 C ATOM 1164 C MET A 76 2.079 9.037 7.014 1.00 42.13 C ATOM 1165 O MET A 76 1.523 7.962 6.789 1.00 13.21 O ATOM 1166 CB MET A 76 0.470 10.941 7.227 1.00 12.14 C ATOM 1167 CG MET A 76 -0.224 11.959 8.119 1.00 70.13 C ATOM 1168 SD MET A 76 -0.187 13.625 7.431 1.00 51.10 S ATOM 1169 CE MET A 76 -1.314 13.445 6.049 1.00 14.24 C ATOM 0 H MET A 76 2.710 11.725 8.121 1.00 34.03 H new ATOM 0 HA MET A 76 0.930 9.503 8.757 1.00 31.43 H new ATOM 0 HB2 MET A 76 0.997 11.467 6.431 1.00 12.14 H new ATOM 0 HB3 MET A 76 -0.283 10.314 6.750 1.00 12.14 H new ATOM 0 HG2 MET A 76 -1.260 11.656 8.272 1.00 70.13 H new ATOM 0 HG3 MET A 76 0.254 11.964 9.098 1.00 70.13 H new ATOM 0 HE1 MET A 76 -1.397 14.395 5.521 1.00 14.24 H new ATOM 0 HE2 MET A 76 -0.935 12.683 5.367 1.00 14.24 H new ATOM 0 HE3 MET A 76 -2.296 13.147 6.417 1.00 14.24 H new ATOM 1179 N GLN A 77 3.229 9.391 6.452 1.00 61.33 N ATOM 1180 CA GLN A 77 3.920 8.514 5.513 1.00 63.43 C ATOM 1181 C GLN A 77 4.557 7.332 6.239 1.00 60.11 C ATOM 1182 O GLN A 77 4.443 6.188 5.799 1.00 35.21 O ATOM 1183 CB GLN A 77 4.991 9.292 4.748 1.00 23.14 C ATOM 1184 CG GLN A 77 4.688 9.449 3.267 1.00 33.13 C ATOM 1185 CD GLN A 77 5.768 10.214 2.527 1.00 31.02 C ATOM 1186 OE1 GLN A 77 6.350 11.159 3.060 1.00 64.12 O ATOM 1187 NE2 GLN A 77 6.042 9.809 1.293 1.00 44.02 N ATOM 0 H GLN A 77 3.702 10.277 6.629 1.00 61.33 H new ATOM 0 HA GLN A 77 3.184 8.131 4.806 1.00 63.43 H new ATOM 0 HB2 GLN A 77 5.099 10.280 5.195 1.00 23.14 H new ATOM 0 HB3 GLN A 77 5.949 8.784 4.863 1.00 23.14 H new ATOM 0 HG2 GLN A 77 4.574 8.463 2.817 1.00 33.13 H new ATOM 0 HG3 GLN A 77 3.736 9.966 3.148 1.00 33.13 H new ATOM 0 HE21 GLN A 77 5.535 9.021 0.890 1.00 44.02 H new ATOM 0 HE22 GLN A 77 6.760 10.286 0.747 1.00 44.02 H new ATOM 1196 N GLN A 78 5.224 7.619 7.352 1.00 71.45 N ATOM 1197 CA GLN A 78 5.879 6.579 8.138 1.00 34.32 C ATOM 1198 C GLN A 78 4.917 5.432 8.433 1.00 64.40 C ATOM 1199 O GLN A 78 5.253 4.262 8.250 1.00 24.52 O ATOM 1200 CB GLN A 78 6.413 7.162 9.448 1.00 72.23 C ATOM 1201 CG GLN A 78 5.332 7.762 10.332 1.00 51.33 C ATOM 1202 CD GLN A 78 4.605 6.718 11.157 1.00 20.04 C ATOM 1203 OE1 GLN A 78 5.005 5.555 11.198 1.00 3.31 O ATOM 1204 NE2 GLN A 78 3.531 7.130 11.819 1.00 14.22 N ATOM 0 H GLN A 78 5.325 8.561 7.730 1.00 71.45 H new ATOM 0 HA GLN A 78 6.713 6.188 7.555 1.00 34.32 H new ATOM 0 HB2 GLN A 78 6.929 6.378 10.001 1.00 72.23 H new ATOM 0 HB3 GLN A 78 7.152 7.930 9.220 1.00 72.23 H new ATOM 0 HG2 GLN A 78 5.781 8.498 10.999 1.00 51.33 H new ATOM 0 HG3 GLN A 78 4.612 8.293 9.709 1.00 51.33 H new ATOM 0 HE21 GLN A 78 3.236 8.104 11.756 1.00 14.22 H new ATOM 0 HE22 GLN A 78 3.001 6.472 12.391 1.00 14.22 H new ATOM 1213 N LYS A 79 3.717 5.776 8.891 1.00 61.40 N ATOM 1214 CA LYS A 79 2.706 4.776 9.210 1.00 61.33 C ATOM 1215 C LYS A 79 2.438 3.871 8.011 1.00 45.32 C ATOM 1216 O LYS A 79 2.635 2.658 8.081 1.00 40.43 O ATOM 1217 CB LYS A 79 1.407 5.456 9.649 1.00 62.00 C ATOM 1218 CG LYS A 79 0.672 4.712 10.748 1.00 54.24 C ATOM 1219 CD LYS A 79 -0.465 5.542 11.321 1.00 23.21 C ATOM 1220 CE LYS A 79 -1.573 4.660 11.877 1.00 71.10 C ATOM 1221 NZ LYS A 79 -1.042 3.612 12.791 1.00 70.40 N ATOM 0 H LYS A 79 3.422 6.740 9.049 1.00 61.40 H new ATOM 0 HA LYS A 79 3.083 4.163 10.029 1.00 61.33 H new ATOM 0 HB2 LYS A 79 1.634 6.465 9.994 1.00 62.00 H new ATOM 0 HB3 LYS A 79 0.749 5.555 8.786 1.00 62.00 H new ATOM 0 HG2 LYS A 79 0.277 3.776 10.353 1.00 54.24 H new ATOM 0 HG3 LYS A 79 1.371 4.453 11.543 1.00 54.24 H new ATOM 0 HD2 LYS A 79 -0.083 6.189 12.110 1.00 23.21 H new ATOM 0 HD3 LYS A 79 -0.870 6.191 10.545 1.00 23.21 H new ATOM 0 HE2 LYS A 79 -2.294 5.277 12.413 1.00 71.10 H new ATOM 0 HE3 LYS A 79 -2.108 4.187 11.054 1.00 71.10 H new ATOM 0 HZ1 LYS A 79 -1.826 3.190 13.328 1.00 70.40 H new ATOM 0 HZ2 LYS A 79 -0.567 2.873 12.234 1.00 70.40 H new ATOM 0 HZ3 LYS A 79 -0.361 4.039 13.451 1.00 70.40 H new ATOM 1235 N MET A 80 1.988 4.470 6.913 1.00 44.55 N ATOM 1236 CA MET A 80 1.694 3.717 5.698 1.00 40.02 C ATOM 1237 C MET A 80 2.834 2.759 5.365 1.00 43.52 C ATOM 1238 O MET A 80 2.652 1.542 5.350 1.00 43.43 O ATOM 1239 CB MET A 80 1.454 4.672 4.527 1.00 53.22 C ATOM 1240 CG MET A 80 0.077 5.316 4.540 1.00 34.33 C ATOM 1241 SD MET A 80 -0.469 5.820 2.898 1.00 2.43 S ATOM 1242 CE MET A 80 0.827 6.973 2.449 1.00 44.21 C ATOM 0 H MET A 80 1.819 5.473 6.839 1.00 44.55 H new ATOM 0 HA MET A 80 0.790 3.132 5.870 1.00 40.02 H new ATOM 0 HB2 MET A 80 2.212 5.455 4.546 1.00 53.22 H new ATOM 0 HB3 MET A 80 1.582 4.127 3.592 1.00 53.22 H new ATOM 0 HG2 MET A 80 -0.644 4.614 4.959 1.00 34.33 H new ATOM 0 HG3 MET A 80 0.093 6.186 5.196 1.00 34.33 H new ATOM 0 HE1 MET A 80 0.418 7.745 1.797 1.00 44.21 H new ATOM 0 HE2 MET A 80 1.231 7.435 3.350 1.00 44.21 H new ATOM 0 HE3 MET A 80 1.622 6.441 1.926 1.00 44.21 H new ATOM 1252 N LYS A 81 4.009 3.317 5.097 1.00 5.24 N ATOM 1253 CA LYS A 81 5.180 2.514 4.763 1.00 15.41 C ATOM 1254 C LYS A 81 5.238 1.255 5.623 1.00 42.23 C ATOM 1255 O LYS A 81 5.576 0.176 5.137 1.00 4.44 O ATOM 1256 CB LYS A 81 6.458 3.333 4.953 1.00 11.34 C ATOM 1257 CG LYS A 81 7.014 3.902 3.658 1.00 11.23 C ATOM 1258 CD LYS A 81 8.520 4.085 3.731 1.00 14.22 C ATOM 1259 CE LYS A 81 9.178 3.836 2.384 1.00 41.15 C ATOM 1260 NZ LYS A 81 10.643 3.607 2.515 1.00 64.33 N ATOM 0 H LYS A 81 4.176 4.323 5.104 1.00 5.24 H new ATOM 0 HA LYS A 81 5.099 2.217 3.717 1.00 15.41 H new ATOM 0 HB2 LYS A 81 6.255 4.152 5.643 1.00 11.34 H new ATOM 0 HB3 LYS A 81 7.217 2.704 5.419 1.00 11.34 H new ATOM 0 HG2 LYS A 81 6.767 3.236 2.831 1.00 11.23 H new ATOM 0 HG3 LYS A 81 6.540 4.861 3.448 1.00 11.23 H new ATOM 0 HD2 LYS A 81 8.749 5.096 4.067 1.00 14.22 H new ATOM 0 HD3 LYS A 81 8.935 3.401 4.472 1.00 14.22 H new ATOM 0 HE2 LYS A 81 8.716 2.970 1.909 1.00 41.15 H new ATOM 0 HE3 LYS A 81 9.001 4.690 1.730 1.00 41.15 H new ATOM 0 HZ1 LYS A 81 11.054 3.441 1.574 1.00 64.33 H new ATOM 0 HZ2 LYS A 81 11.088 4.443 2.945 1.00 64.33 H new ATOM 0 HZ3 LYS A 81 10.812 2.777 3.118 1.00 64.33 H new ATOM 1274 N GLU A 82 4.905 1.401 6.902 1.00 25.23 N ATOM 1275 CA GLU A 82 4.920 0.274 7.827 1.00 11.32 C ATOM 1276 C GLU A 82 3.752 -0.670 7.554 1.00 4.34 C ATOM 1277 O GLU A 82 3.935 -1.880 7.419 1.00 54.31 O ATOM 1278 CB GLU A 82 4.859 0.772 9.272 1.00 15.41 C ATOM 1279 CG GLU A 82 6.154 1.404 9.753 1.00 72.51 C ATOM 1280 CD GLU A 82 6.996 0.450 10.581 1.00 44.01 C ATOM 1281 OE1 GLU A 82 7.887 0.929 11.312 1.00 34.32 O ATOM 1282 OE2 GLU A 82 6.764 -0.774 10.493 1.00 14.53 O ATOM 0 H GLU A 82 4.622 2.287 7.320 1.00 25.23 H new ATOM 0 HA GLU A 82 5.850 -0.274 7.677 1.00 11.32 H new ATOM 0 HB2 GLU A 82 4.053 1.501 9.363 1.00 15.41 H new ATOM 0 HB3 GLU A 82 4.608 -0.064 9.925 1.00 15.41 H new ATOM 0 HG2 GLU A 82 6.732 1.739 8.892 1.00 72.51 H new ATOM 0 HG3 GLU A 82 5.924 2.289 10.347 1.00 72.51 H new ATOM 1290 N THR A 83 2.551 -0.108 7.473 1.00 42.23 N ATOM 1291 CA THR A 83 1.352 -0.897 7.217 1.00 33.23 C ATOM 1292 C THR A 83 1.367 -1.477 5.809 1.00 41.22 C ATOM 1293 O THR A 83 0.575 -2.363 5.483 1.00 10.32 O ATOM 1294 CB THR A 83 0.075 -0.056 7.403 1.00 43.15 C ATOM 1295 OG1 THR A 83 -0.045 0.359 8.767 1.00 42.22 O ATOM 1296 CG2 THR A 83 -1.159 -0.849 6.996 1.00 22.54 C ATOM 0 H THR A 83 2.382 0.892 7.581 1.00 42.23 H new ATOM 0 HA THR A 83 1.348 -1.711 7.941 1.00 33.23 H new ATOM 0 HB THR A 83 0.149 0.823 6.763 1.00 43.15 H new ATOM 0 HG1 THR A 83 -0.859 0.894 8.876 1.00 42.22 H new ATOM 0 HG21 THR A 83 -2.049 -0.235 7.136 1.00 22.54 H new ATOM 0 HG22 THR A 83 -1.078 -1.136 5.948 1.00 22.54 H new ATOM 0 HG23 THR A 83 -1.236 -1.745 7.613 1.00 22.54 H new ATOM 1304 N LEU A 84 2.271 -0.975 4.976 1.00 31.24 N ATOM 1305 CA LEU A 84 2.389 -1.444 3.599 1.00 11.11 C ATOM 1306 C LEU A 84 2.999 -2.841 3.552 1.00 5.33 C ATOM 1307 O LEU A 84 2.343 -3.802 3.151 1.00 12.32 O ATOM 1308 CB LEU A 84 3.242 -0.473 2.780 1.00 72.55 C ATOM 1309 CG LEU A 84 3.858 -1.038 1.500 1.00 51.43 C ATOM 1310 CD1 LEU A 84 2.812 -1.129 0.399 1.00 24.13 C ATOM 1311 CD2 LEU A 84 5.034 -0.183 1.052 1.00 0.04 C ATOM 0 H LEU A 84 2.934 -0.242 5.230 1.00 31.24 H new ATOM 0 HA LEU A 84 1.389 -1.490 3.168 1.00 11.11 H new ATOM 0 HB2 LEU A 84 2.626 0.386 2.515 1.00 72.55 H new ATOM 0 HB3 LEU A 84 4.047 -0.104 3.415 1.00 72.55 H new ATOM 0 HG LEU A 84 4.224 -2.043 1.709 1.00 51.43 H new ATOM 0 HD11 LEU A 84 3.269 -1.533 -0.504 1.00 24.13 H new ATOM 0 HD12 LEU A 84 2.002 -1.784 0.720 1.00 24.13 H new ATOM 0 HD13 LEU A 84 2.415 -0.135 0.191 1.00 24.13 H new ATOM 0 HD21 LEU A 84 5.460 -0.600 0.140 1.00 0.04 H new ATOM 0 HD22 LEU A 84 4.692 0.834 0.861 1.00 0.04 H new ATOM 0 HD23 LEU A 84 5.793 -0.170 1.834 1.00 0.04 H new ATOM 1323 N GLN A 85 4.259 -2.945 3.963 1.00 32.31 N ATOM 1324 CA GLN A 85 4.957 -4.226 3.969 1.00 2.14 C ATOM 1325 C GLN A 85 4.155 -5.280 4.725 1.00 43.42 C ATOM 1326 O GLN A 85 4.247 -6.470 4.431 1.00 73.11 O ATOM 1327 CB GLN A 85 6.343 -4.072 4.599 1.00 44.41 C ATOM 1328 CG GLN A 85 6.303 -3.674 6.066 1.00 2.53 C ATOM 1329 CD GLN A 85 7.361 -4.379 6.891 1.00 42.41 C ATOM 1330 OE1 GLN A 85 7.117 -4.764 8.034 1.00 11.54 O ATOM 1331 NE2 GLN A 85 8.544 -4.553 6.313 1.00 14.20 N ATOM 0 H GLN A 85 4.817 -2.159 4.296 1.00 32.31 H new ATOM 0 HA GLN A 85 5.070 -4.555 2.936 1.00 2.14 H new ATOM 0 HB2 GLN A 85 6.884 -5.013 4.501 1.00 44.41 H new ATOM 0 HB3 GLN A 85 6.905 -3.322 4.043 1.00 44.41 H new ATOM 0 HG2 GLN A 85 6.441 -2.596 6.150 1.00 2.53 H new ATOM 0 HG3 GLN A 85 5.318 -3.902 6.474 1.00 2.53 H new ATOM 0 HE21 GLN A 85 8.702 -4.217 5.363 1.00 14.20 H new ATOM 0 HE22 GLN A 85 9.295 -5.022 6.819 1.00 14.20 H new ATOM 1340 N ASN A 86 3.369 -4.832 5.700 1.00 65.53 N ATOM 1341 CA ASN A 86 2.551 -5.738 6.498 1.00 25.53 C ATOM 1342 C ASN A 86 1.342 -6.222 5.704 1.00 21.33 C ATOM 1343 O ASN A 86 0.857 -7.335 5.909 1.00 65.14 O ATOM 1344 CB ASN A 86 2.091 -5.044 7.781 1.00 55.41 C ATOM 1345 CG ASN A 86 2.796 -5.576 9.013 1.00 23.22 C ATOM 1346 OD1 ASN A 86 3.465 -6.609 8.960 1.00 33.44 O ATOM 1347 ND2 ASN A 86 2.650 -4.873 10.129 1.00 52.23 N ATOM 0 H ASN A 86 3.282 -3.848 5.956 1.00 65.53 H new ATOM 0 HA ASN A 86 3.159 -6.604 6.760 1.00 25.53 H new ATOM 0 HB2 ASN A 86 2.273 -3.973 7.696 1.00 55.41 H new ATOM 0 HB3 ASN A 86 1.015 -5.176 7.896 1.00 55.41 H new ATOM 0 HD21 ASN A 86 3.102 -5.183 10.990 1.00 52.23 H new ATOM 0 HD22 ASN A 86 2.086 -4.023 10.126 1.00 52.23 H new ATOM 1354 N VAL A 87 0.860 -5.378 4.798 1.00 52.12 N ATOM 1355 CA VAL A 87 -0.292 -5.720 3.972 1.00 1.11 C ATOM 1356 C VAL A 87 0.132 -6.499 2.732 1.00 35.42 C ATOM 1357 O VAL A 87 -0.339 -7.612 2.495 1.00 10.40 O ATOM 1358 CB VAL A 87 -1.061 -4.461 3.533 1.00 11.43 C ATOM 1359 CG1 VAL A 87 -1.950 -4.766 2.337 1.00 42.32 C ATOM 1360 CG2 VAL A 87 -1.882 -3.908 4.689 1.00 33.42 C ATOM 0 H VAL A 87 1.249 -4.453 4.617 1.00 52.12 H new ATOM 0 HA VAL A 87 -0.945 -6.342 4.584 1.00 1.11 H new ATOM 0 HB VAL A 87 -0.338 -3.702 3.234 1.00 11.43 H new ATOM 0 HG11 VAL A 87 -2.485 -3.863 2.042 1.00 42.32 H new ATOM 0 HG12 VAL A 87 -1.336 -5.112 1.506 1.00 42.32 H new ATOM 0 HG13 VAL A 87 -2.667 -5.542 2.605 1.00 42.32 H new ATOM 0 HG21 VAL A 87 -2.419 -3.018 4.361 1.00 33.42 H new ATOM 0 HG22 VAL A 87 -2.596 -4.661 5.021 1.00 33.42 H new ATOM 0 HG23 VAL A 87 -1.219 -3.648 5.514 1.00 33.42 H new ATOM 1370 N ARG A 88 1.026 -5.909 1.946 1.00 61.44 N ATOM 1371 CA ARG A 88 1.513 -6.549 0.730 1.00 30.43 C ATOM 1372 C ARG A 88 1.683 -8.052 0.936 1.00 40.31 C ATOM 1373 O ARG A 88 1.149 -8.857 0.172 1.00 42.52 O ATOM 1374 CB ARG A 88 2.847 -5.930 0.302 1.00 61.34 C ATOM 1375 CG ARG A 88 2.752 -5.096 -0.965 1.00 13.23 C ATOM 1376 CD ARG A 88 3.901 -4.104 -1.066 1.00 53.20 C ATOM 1377 NE ARG A 88 4.516 -4.112 -2.389 1.00 52.44 N ATOM 1378 CZ ARG A 88 5.099 -5.180 -2.923 1.00 54.30 C ATOM 1379 NH1 ARG A 88 5.147 -6.320 -2.247 1.00 21.11 N ATOM 1380 NH2 ARG A 88 5.637 -5.109 -4.134 1.00 74.10 N ATOM 0 H ARG A 88 1.428 -4.989 2.129 1.00 61.44 H new ATOM 0 HA ARG A 88 0.775 -6.388 -0.055 1.00 30.43 H new ATOM 0 HB2 ARG A 88 3.224 -5.305 1.111 1.00 61.34 H new ATOM 0 HB3 ARG A 88 3.575 -6.727 0.149 1.00 61.34 H new ATOM 0 HG2 ARG A 88 2.759 -5.752 -1.835 1.00 13.23 H new ATOM 0 HG3 ARG A 88 1.804 -4.559 -0.978 1.00 13.23 H new ATOM 0 HD2 ARG A 88 3.535 -3.102 -0.842 1.00 53.20 H new ATOM 0 HD3 ARG A 88 4.654 -4.344 -0.315 1.00 53.20 H new ATOM 0 HE ARG A 88 4.497 -3.250 -2.934 1.00 52.44 H new ATOM 0 HH11 ARG A 88 4.736 -6.378 -1.315 1.00 21.11 H new ATOM 0 HH12 ARG A 88 5.595 -7.139 -2.659 1.00 21.11 H new ATOM 0 HH21 ARG A 88 5.603 -4.234 -4.656 1.00 74.10 H new ATOM 0 HH22 ARG A 88 6.084 -5.930 -4.542 1.00 74.10 H new ATOM 1394 N THR A 89 2.428 -8.423 1.971 1.00 14.31 N ATOM 1395 CA THR A 89 2.666 -9.828 2.277 1.00 23.40 C ATOM 1396 C THR A 89 1.360 -10.559 2.562 1.00 35.44 C ATOM 1397 O THR A 89 1.177 -11.704 2.151 1.00 4.11 O ATOM 1398 CB THR A 89 3.606 -9.988 3.487 1.00 14.11 C ATOM 1399 OG1 THR A 89 4.967 -10.058 3.045 1.00 32.32 O ATOM 1400 CG2 THR A 89 3.260 -11.238 4.280 1.00 64.12 C ATOM 0 H THR A 89 2.878 -7.770 2.612 1.00 14.31 H new ATOM 0 HA THR A 89 3.139 -10.266 1.398 1.00 23.40 H new ATOM 0 HB THR A 89 3.479 -9.120 4.134 1.00 14.11 H new ATOM 0 HG1 THR A 89 5.558 -10.158 3.820 1.00 32.32 H new ATOM 0 HG21 THR A 89 3.937 -11.329 5.129 1.00 64.12 H new ATOM 0 HG22 THR A 89 2.234 -11.168 4.640 1.00 64.12 H new ATOM 0 HG23 THR A 89 3.361 -12.114 3.640 1.00 64.12 H new ATOM 1408 N ARG A 90 0.455 -9.889 3.269 1.00 52.25 N ATOM 1409 CA ARG A 90 -0.835 -10.476 3.609 1.00 44.00 C ATOM 1410 C ARG A 90 -1.619 -10.834 2.349 1.00 52.01 C ATOM 1411 O ARG A 90 -2.146 -11.942 2.227 1.00 13.23 O ATOM 1412 CB ARG A 90 -1.649 -9.508 4.471 1.00 43.03 C ATOM 1413 CG ARG A 90 -1.789 -9.953 5.917 1.00 21.42 C ATOM 1414 CD ARG A 90 -0.473 -9.829 6.669 1.00 24.21 C ATOM 1415 NE ARG A 90 -0.497 -8.738 7.639 1.00 13.14 N ATOM 1416 CZ ARG A 90 0.429 -8.569 8.578 1.00 61.42 C ATOM 1417 NH1 ARG A 90 1.447 -9.414 8.669 1.00 12.24 N ATOM 1418 NH2 ARG A 90 0.338 -7.552 9.425 1.00 54.34 N ATOM 0 H ARG A 90 0.592 -8.940 3.617 1.00 52.25 H new ATOM 0 HA ARG A 90 -0.652 -11.390 4.174 1.00 44.00 H new ATOM 0 HB2 ARG A 90 -1.176 -8.526 4.446 1.00 43.03 H new ATOM 0 HB3 ARG A 90 -2.642 -9.395 4.037 1.00 43.03 H new ATOM 0 HG2 ARG A 90 -2.550 -9.350 6.412 1.00 21.42 H new ATOM 0 HG3 ARG A 90 -2.131 -10.987 5.949 1.00 21.42 H new ATOM 0 HD2 ARG A 90 -0.260 -10.766 7.183 1.00 24.21 H new ATOM 0 HD3 ARG A 90 0.337 -9.664 5.958 1.00 24.21 H new ATOM 0 HE ARG A 90 -1.266 -8.069 7.594 1.00 13.14 H new ATOM 0 HH11 ARG A 90 1.521 -10.196 8.018 1.00 12.24 H new ATOM 0 HH12 ARG A 90 2.156 -9.282 9.390 1.00 12.24 H new ATOM 0 HH21 ARG A 90 -0.443 -6.899 9.356 1.00 54.34 H new ATOM 0 HH22 ARG A 90 1.049 -7.423 10.145 1.00 54.34 H new ATOM 1432 N LEU A 91 -1.691 -9.892 1.416 1.00 53.31 N ATOM 1433 CA LEU A 91 -2.412 -10.107 0.166 1.00 55.30 C ATOM 1434 C LEU A 91 -1.871 -11.329 -0.570 1.00 3.10 C ATOM 1435 O LEU A 91 -2.616 -12.039 -1.243 1.00 54.04 O ATOM 1436 CB LEU A 91 -2.305 -8.870 -0.727 1.00 72.52 C ATOM 1437 CG LEU A 91 -2.885 -9.006 -2.134 1.00 62.44 C ATOM 1438 CD1 LEU A 91 -4.396 -9.168 -2.076 1.00 34.20 C ATOM 1439 CD2 LEU A 91 -2.509 -7.802 -2.984 1.00 24.24 C ATOM 0 H LEU A 91 -1.259 -8.972 1.501 1.00 53.31 H new ATOM 0 HA LEU A 91 -3.461 -10.284 0.405 1.00 55.30 H new ATOM 0 HB2 LEU A 91 -2.807 -8.041 -0.227 1.00 72.52 H new ATOM 0 HB3 LEU A 91 -1.253 -8.599 -0.814 1.00 72.52 H new ATOM 0 HG LEU A 91 -2.462 -9.898 -2.595 1.00 62.44 H new ATOM 0 HD11 LEU A 91 -4.791 -9.263 -3.088 1.00 34.20 H new ATOM 0 HD12 LEU A 91 -4.644 -10.062 -1.504 1.00 34.20 H new ATOM 0 HD13 LEU A 91 -4.837 -8.295 -1.595 1.00 34.20 H new ATOM 0 HD21 LEU A 91 -2.930 -7.916 -3.983 1.00 24.24 H new ATOM 0 HD22 LEU A 91 -2.903 -6.895 -2.525 1.00 24.24 H new ATOM 0 HD23 LEU A 91 -1.424 -7.731 -3.054 1.00 24.24 H new ATOM 1451 N GLU A 92 -0.569 -11.566 -0.436 1.00 54.53 N ATOM 1452 CA GLU A 92 0.070 -12.703 -1.087 1.00 43.15 C ATOM 1453 C GLU A 92 -0.400 -14.018 -0.472 1.00 73.10 C ATOM 1454 O GLU A 92 -0.679 -14.984 -1.183 1.00 3.04 O ATOM 1455 CB GLU A 92 1.592 -12.592 -0.977 1.00 24.32 C ATOM 1456 CG GLU A 92 2.290 -12.461 -2.322 1.00 60.12 C ATOM 1457 CD GLU A 92 3.371 -13.506 -2.520 1.00 10.11 C ATOM 1458 OE1 GLU A 92 4.292 -13.260 -3.327 1.00 10.22 O ATOM 1459 OE2 GLU A 92 3.295 -14.571 -1.871 1.00 2.14 O ATOM 0 H GLU A 92 0.062 -10.986 0.117 1.00 54.53 H new ATOM 0 HA GLU A 92 -0.214 -12.692 -2.139 1.00 43.15 H new ATOM 0 HB2 GLU A 92 1.842 -11.728 -0.361 1.00 24.32 H new ATOM 0 HB3 GLU A 92 1.976 -13.472 -0.462 1.00 24.32 H new ATOM 0 HG2 GLU A 92 1.553 -12.550 -3.120 1.00 60.12 H new ATOM 0 HG3 GLU A 92 2.731 -11.467 -2.404 1.00 60.12 H new ATOM 1467 N ILE A 93 -0.484 -14.048 0.853 1.00 14.10 N ATOM 1468 CA ILE A 93 -0.921 -15.243 1.564 1.00 75.13 C ATOM 1469 C ILE A 93 -2.324 -15.656 1.137 1.00 44.52 C ATOM 1470 O ILE A 93 -2.575 -16.823 0.831 1.00 10.40 O ATOM 1471 CB ILE A 93 -0.904 -15.029 3.089 1.00 22.34 C ATOM 1472 CG1 ILE A 93 0.524 -14.762 3.573 1.00 54.24 C ATOM 1473 CG2 ILE A 93 -1.491 -16.238 3.800 1.00 14.33 C ATOM 1474 CD1 ILE A 93 0.588 -13.945 4.845 1.00 3.50 C ATOM 0 H ILE A 93 -0.255 -13.258 1.457 1.00 14.10 H new ATOM 0 HA ILE A 93 -0.218 -16.036 1.308 1.00 75.13 H new ATOM 0 HB ILE A 93 -1.517 -14.159 3.325 1.00 22.34 H new ATOM 0 HG12 ILE A 93 1.028 -15.715 3.737 1.00 54.24 H new ATOM 0 HG13 ILE A 93 1.074 -14.242 2.789 1.00 54.24 H new ATOM 0 HG21 ILE A 93 -1.472 -16.071 4.877 1.00 14.33 H new ATOM 0 HG22 ILE A 93 -2.520 -16.387 3.474 1.00 14.33 H new ATOM 0 HG23 ILE A 93 -0.902 -17.123 3.559 1.00 14.33 H new ATOM 0 HD11 ILE A 93 1.630 -13.795 5.129 1.00 3.50 H new ATOM 0 HD12 ILE A 93 0.114 -12.978 4.680 1.00 3.50 H new ATOM 0 HD13 ILE A 93 0.067 -14.473 5.643 1.00 3.50 H new ATOM 1486 N LEU A 94 -3.238 -14.691 1.114 1.00 43.12 N ATOM 1487 CA LEU A 94 -4.619 -14.953 0.721 1.00 50.12 C ATOM 1488 C LEU A 94 -4.675 -15.661 -0.630 1.00 11.34 C ATOM 1489 O LEU A 94 -5.545 -16.497 -0.866 1.00 41.24 O ATOM 1490 CB LEU A 94 -5.408 -13.645 0.657 1.00 52.02 C ATOM 1491 CG LEU A 94 -6.126 -13.231 1.942 1.00 73.22 C ATOM 1492 CD1 LEU A 94 -5.723 -11.823 2.350 1.00 64.41 C ATOM 1493 CD2 LEU A 94 -7.635 -13.324 1.763 1.00 74.30 C ATOM 0 H LEU A 94 -3.048 -13.720 1.363 1.00 43.12 H new ATOM 0 HA LEU A 94 -5.068 -15.604 1.471 1.00 50.12 H new ATOM 0 HB2 LEU A 94 -4.724 -12.845 0.373 1.00 52.02 H new ATOM 0 HB3 LEU A 94 -6.149 -13.729 -0.138 1.00 52.02 H new ATOM 0 HG LEU A 94 -5.830 -13.916 2.737 1.00 73.22 H new ATOM 0 HD11 LEU A 94 -6.244 -11.546 3.266 1.00 64.41 H new ATOM 0 HD12 LEU A 94 -4.647 -11.787 2.520 1.00 64.41 H new ATOM 0 HD13 LEU A 94 -5.988 -11.124 1.557 1.00 64.41 H new ATOM 0 HD21 LEU A 94 -8.130 -13.026 2.687 1.00 74.30 H new ATOM 0 HD22 LEU A 94 -7.947 -12.663 0.955 1.00 74.30 H new ATOM 0 HD23 LEU A 94 -7.910 -14.350 1.519 1.00 74.30 H new ATOM 1505 N GLU A 95 -3.740 -15.319 -1.511 1.00 23.43 N ATOM 1506 CA GLU A 95 -3.683 -15.924 -2.837 1.00 52.43 C ATOM 1507 C GLU A 95 -2.820 -17.182 -2.824 1.00 72.31 C ATOM 1508 O GLU A 95 -3.016 -18.092 -3.630 1.00 1.31 O ATOM 1509 CB GLU A 95 -3.131 -14.923 -3.854 1.00 53.44 C ATOM 1510 CG GLU A 95 -3.936 -13.638 -3.942 1.00 1.41 C ATOM 1511 CD GLU A 95 -5.049 -13.714 -4.970 1.00 64.33 C ATOM 1512 OE1 GLU A 95 -5.697 -14.778 -5.062 1.00 33.02 O ATOM 1513 OE2 GLU A 95 -5.269 -12.714 -5.683 1.00 22.02 O ATOM 0 H GLU A 95 -3.012 -14.627 -1.331 1.00 23.43 H new ATOM 0 HA GLU A 95 -4.696 -16.203 -3.126 1.00 52.43 H new ATOM 0 HB2 GLU A 95 -2.102 -14.680 -3.590 1.00 53.44 H new ATOM 0 HB3 GLU A 95 -3.105 -15.393 -4.837 1.00 53.44 H new ATOM 0 HG2 GLU A 95 -4.364 -13.415 -2.965 1.00 1.41 H new ATOM 0 HG3 GLU A 95 -3.270 -12.813 -4.194 1.00 1.41 H new ATOM 1521 N LYS A 96 -1.862 -17.226 -1.905 1.00 61.03 N ATOM 1522 CA LYS A 96 -0.968 -18.372 -1.785 1.00 22.40 C ATOM 1523 C LYS A 96 -1.745 -19.634 -1.428 1.00 54.00 C ATOM 1524 O LYS A 96 -1.194 -20.734 -1.423 1.00 40.11 O ATOM 1525 CB LYS A 96 0.103 -18.102 -0.726 1.00 42.34 C ATOM 1526 CG LYS A 96 -0.022 -18.985 0.503 1.00 42.31 C ATOM 1527 CD LYS A 96 0.981 -18.591 1.576 1.00 61.24 C ATOM 1528 CE LYS A 96 1.282 -19.755 2.509 1.00 20.11 C ATOM 1529 NZ LYS A 96 0.827 -19.482 3.900 1.00 14.32 N ATOM 0 H LYS A 96 -1.684 -16.481 -1.232 1.00 61.03 H new ATOM 0 HA LYS A 96 -0.485 -18.526 -2.750 1.00 22.40 H new ATOM 0 HB2 LYS A 96 1.087 -18.250 -1.171 1.00 42.34 H new ATOM 0 HB3 LYS A 96 0.045 -17.057 -0.420 1.00 42.34 H new ATOM 0 HG2 LYS A 96 -1.033 -18.912 0.904 1.00 42.31 H new ATOM 0 HG3 LYS A 96 0.135 -20.026 0.222 1.00 42.31 H new ATOM 0 HD2 LYS A 96 1.904 -18.251 1.106 1.00 61.24 H new ATOM 0 HD3 LYS A 96 0.589 -17.753 2.152 1.00 61.24 H new ATOM 0 HE2 LYS A 96 0.792 -20.655 2.137 1.00 20.11 H new ATOM 0 HE3 LYS A 96 2.354 -19.952 2.510 1.00 20.11 H new ATOM 0 HZ1 LYS A 96 1.050 -20.298 4.505 1.00 14.32 H new ATOM 0 HZ2 LYS A 96 1.313 -18.638 4.265 1.00 14.32 H new ATOM 0 HZ3 LYS A 96 -0.200 -19.319 3.904 1.00 14.32 H new ATOM 1543 N GLY A 97 -3.030 -19.468 -1.129 1.00 43.43 N ATOM 1544 CA GLY A 97 -3.862 -20.603 -0.776 1.00 14.33 C ATOM 1545 C GLY A 97 -5.290 -20.199 -0.459 1.00 35.42 C ATOM 1546 O GLY A 97 -6.224 -20.974 -0.670 1.00 35.44 O ATOM 0 H GLY A 97 -3.509 -18.568 -1.125 1.00 43.43 H new ATOM 0 HA2 GLY A 97 -3.864 -21.318 -1.599 1.00 14.33 H new ATOM 0 HA3 GLY A 97 -3.431 -21.111 0.087 1.00 14.33 H new ATOM 1550 N LEU A 98 -5.459 -18.985 0.050 1.00 21.02 N ATOM 1551 CA LEU A 98 -6.782 -18.478 0.399 1.00 42.25 C ATOM 1552 C LEU A 98 -7.457 -19.382 1.426 1.00 72.04 C ATOM 1553 O LEU A 98 -7.148 -20.569 1.521 1.00 62.32 O ATOM 1554 CB LEU A 98 -7.654 -18.369 -0.852 1.00 61.12 C ATOM 1555 CG LEU A 98 -8.865 -17.441 -0.749 1.00 13.33 C ATOM 1556 CD1 LEU A 98 -8.652 -16.192 -1.590 1.00 14.24 C ATOM 1557 CD2 LEU A 98 -10.132 -18.165 -1.179 1.00 31.10 C ATOM 0 H LEU A 98 -4.696 -18.332 0.231 1.00 21.02 H new ATOM 0 HA LEU A 98 -6.661 -17.487 0.837 1.00 42.25 H new ATOM 0 HB2 LEU A 98 -7.029 -18.027 -1.677 1.00 61.12 H new ATOM 0 HB3 LEU A 98 -8.007 -19.367 -1.112 1.00 61.12 H new ATOM 0 HG LEU A 98 -8.979 -17.140 0.292 1.00 13.33 H new ATOM 0 HD11 LEU A 98 -9.524 -15.543 -1.505 1.00 14.24 H new ATOM 0 HD12 LEU A 98 -7.768 -15.661 -1.236 1.00 14.24 H new ATOM 0 HD13 LEU A 98 -8.511 -16.475 -2.633 1.00 14.24 H new ATOM 0 HD21 LEU A 98 -10.983 -17.488 -1.099 1.00 31.10 H new ATOM 0 HD22 LEU A 98 -10.029 -18.497 -2.212 1.00 31.10 H new ATOM 0 HD23 LEU A 98 -10.294 -19.029 -0.535 1.00 31.10 H new ATOM 1569 N ALA A 99 -8.382 -18.813 2.191 1.00 5.33 N ATOM 1570 CA ALA A 99 -9.104 -19.568 3.207 1.00 55.30 C ATOM 1571 C ALA A 99 -8.145 -20.163 4.233 1.00 42.32 C ATOM 1572 O ALA A 99 -7.930 -21.375 4.267 1.00 40.21 O ATOM 1573 CB ALA A 99 -9.935 -20.665 2.560 1.00 63.44 C ATOM 0 H ALA A 99 -8.649 -17.831 2.126 1.00 5.33 H new ATOM 0 HA ALA A 99 -9.772 -18.882 3.727 1.00 55.30 H new ATOM 0 HB1 ALA A 99 -10.468 -21.220 3.331 1.00 63.44 H new ATOM 0 HB2 ALA A 99 -10.653 -20.219 1.872 1.00 63.44 H new ATOM 0 HB3 ALA A 99 -9.280 -21.343 2.013 1.00 63.44 H new ATOM 1579 N THR A 100 -7.572 -19.303 5.069 1.00 33.53 N ATOM 1580 CA THR A 100 -6.634 -19.743 6.095 1.00 64.44 C ATOM 1581 C THR A 100 -7.300 -19.789 7.465 1.00 10.14 C ATOM 1582 O THR A 100 -7.777 -18.772 7.968 1.00 21.25 O ATOM 1583 CB THR A 100 -5.404 -18.820 6.165 1.00 21.35 C ATOM 1584 OG1 THR A 100 -4.696 -18.851 4.920 1.00 71.45 O ATOM 1585 CG2 THR A 100 -4.474 -19.242 7.292 1.00 52.40 C ATOM 0 H THR A 100 -7.741 -18.297 5.056 1.00 33.53 H new ATOM 0 HA THR A 100 -6.310 -20.746 5.818 1.00 64.44 H new ATOM 0 HB THR A 100 -5.750 -17.805 6.361 1.00 21.35 H new ATOM 0 HG1 THR A 100 -3.916 -18.260 4.972 1.00 71.45 H new ATOM 0 HG21 THR A 100 -3.612 -18.575 7.322 1.00 52.40 H new ATOM 0 HG22 THR A 100 -5.006 -19.190 8.242 1.00 52.40 H new ATOM 0 HG23 THR A 100 -4.136 -20.264 7.121 1.00 52.40 H new ATOM 1593 N SER A 101 -7.329 -20.974 8.064 1.00 14.33 N ATOM 1594 CA SER A 101 -7.940 -21.152 9.377 1.00 41.31 C ATOM 1595 C SER A 101 -7.517 -20.036 10.329 1.00 70.15 C ATOM 1596 O SER A 101 -6.363 -19.969 10.751 1.00 73.54 O ATOM 1597 CB SER A 101 -7.553 -22.511 9.963 1.00 25.13 C ATOM 1598 OG SER A 101 -6.896 -23.314 8.998 1.00 23.34 O ATOM 0 H SER A 101 -6.937 -21.826 7.662 1.00 14.33 H new ATOM 0 HA SER A 101 -9.022 -21.112 9.255 1.00 41.31 H new ATOM 0 HB2 SER A 101 -6.902 -22.367 10.825 1.00 25.13 H new ATOM 0 HB3 SER A 101 -8.446 -23.024 10.321 1.00 25.13 H new ATOM 0 HG SER A 101 -6.658 -24.176 9.398 1.00 23.34 H new ATOM 1604 N LEU A 102 -8.462 -19.163 10.661 1.00 71.30 N ATOM 1605 CA LEU A 102 -8.189 -18.049 11.564 1.00 41.34 C ATOM 1606 C LEU A 102 -7.781 -18.554 12.944 1.00 3.22 C ATOM 1607 O LEU A 102 -8.350 -19.517 13.456 1.00 61.14 O ATOM 1608 CB LEU A 102 -9.421 -17.149 11.681 1.00 2.12 C ATOM 1609 CG LEU A 102 -9.417 -15.891 10.812 1.00 12.15 C ATOM 1610 CD1 LEU A 102 -8.192 -15.039 11.111 1.00 62.05 C ATOM 1611 CD2 LEU A 102 -9.464 -16.261 9.337 1.00 14.32 C ATOM 0 H LEU A 102 -9.422 -19.204 10.320 1.00 71.30 H new ATOM 0 HA LEU A 102 -7.362 -17.472 11.150 1.00 41.34 H new ATOM 0 HB2 LEU A 102 -10.302 -17.738 11.428 1.00 2.12 H new ATOM 0 HB3 LEU A 102 -9.528 -16.847 12.723 1.00 2.12 H new ATOM 0 HG LEU A 102 -10.307 -15.307 11.048 1.00 12.15 H new ATOM 0 HD11 LEU A 102 -8.206 -14.148 10.483 1.00 62.05 H new ATOM 0 HD12 LEU A 102 -8.201 -14.744 12.160 1.00 62.05 H new ATOM 0 HD13 LEU A 102 -7.289 -15.614 10.904 1.00 62.05 H new ATOM 0 HD21 LEU A 102 -9.461 -15.353 8.734 1.00 14.32 H new ATOM 0 HD22 LEU A 102 -8.593 -16.867 9.086 1.00 14.32 H new ATOM 0 HD23 LEU A 102 -10.372 -16.829 9.133 1.00 14.32 H new ATOM 1623 N GLN A 103 -6.793 -17.895 13.542 1.00 25.33 N ATOM 1624 CA GLN A 103 -6.310 -18.276 14.862 1.00 12.44 C ATOM 1625 C GLN A 103 -6.394 -17.101 15.832 1.00 21.12 C ATOM 1626 O GLN A 103 -5.565 -16.968 16.732 1.00 33.11 O ATOM 1627 CB GLN A 103 -4.869 -18.780 14.777 1.00 52.31 C ATOM 1628 CG GLN A 103 -4.761 -20.270 14.493 1.00 62.32 C ATOM 1629 CD GLN A 103 -4.246 -21.055 15.683 1.00 2.33 C ATOM 1630 OE1 GLN A 103 -4.998 -21.779 16.335 1.00 74.14 O ATOM 1631 NE2 GLN A 103 -2.958 -20.914 15.974 1.00 62.12 N ATOM 0 H GLN A 103 -6.312 -17.094 13.132 1.00 25.33 H new ATOM 0 HA GLN A 103 -6.946 -19.079 15.235 1.00 12.44 H new ATOM 0 HB2 GLN A 103 -4.346 -18.231 13.994 1.00 52.31 H new ATOM 0 HB3 GLN A 103 -4.360 -18.560 15.715 1.00 52.31 H new ATOM 0 HG2 GLN A 103 -5.740 -20.653 14.206 1.00 62.32 H new ATOM 0 HG3 GLN A 103 -4.096 -20.427 13.644 1.00 62.32 H new ATOM 0 HE21 GLN A 103 -2.371 -20.303 15.406 1.00 62.12 H new ATOM 0 HE22 GLN A 103 -2.556 -21.417 16.765 1.00 62.12 H new ATOM 1640 N ASN A 104 -7.400 -16.254 15.643 1.00 22.22 N ATOM 1641 CA ASN A 104 -7.590 -15.090 16.499 1.00 54.21 C ATOM 1642 C ASN A 104 -6.418 -14.122 16.371 1.00 52.13 C ATOM 1643 O ASN A 104 -5.316 -14.400 16.843 1.00 33.42 O ATOM 1644 CB ASN A 104 -7.750 -15.525 17.957 1.00 12.51 C ATOM 1645 CG ASN A 104 -8.310 -14.421 18.832 1.00 1.13 C ATOM 1646 OD1 ASN A 104 -9.204 -13.681 18.421 1.00 31.12 O ATOM 1647 ND2 ASN A 104 -7.785 -14.304 20.047 1.00 22.42 N ATOM 0 H ASN A 104 -8.096 -16.352 14.904 1.00 22.22 H new ATOM 0 HA ASN A 104 -8.497 -14.578 16.177 1.00 54.21 H new ATOM 0 HB2 ASN A 104 -8.409 -16.392 18.004 1.00 12.51 H new ATOM 0 HB3 ASN A 104 -6.782 -15.839 18.348 1.00 12.51 H new ATOM 0 HD21 ASN A 104 -8.122 -13.579 20.680 1.00 22.42 H new ATOM 0 HD22 ASN A 104 -7.045 -14.939 20.346 1.00 22.42 H new ATOM 1654 N ASP A 105 -6.665 -12.984 15.732 1.00 22.34 N ATOM 1655 CA ASP A 105 -5.631 -11.973 15.544 1.00 2.32 C ATOM 1656 C ASP A 105 -5.528 -11.067 16.766 1.00 21.24 C ATOM 1657 O ASP A 105 -6.469 -10.345 17.097 1.00 2.30 O ATOM 1658 CB ASP A 105 -5.925 -11.138 14.296 1.00 14.13 C ATOM 1659 CG ASP A 105 -4.747 -10.278 13.884 1.00 54.15 C ATOM 1660 OD1 ASP A 105 -4.891 -9.038 13.878 1.00 32.05 O ATOM 1661 OD2 ASP A 105 -3.681 -10.846 13.567 1.00 42.22 O ATOM 0 H ASP A 105 -7.572 -12.738 15.335 1.00 22.34 H new ATOM 0 HA ASP A 105 -4.677 -12.484 15.413 1.00 2.32 H new ATOM 0 HB2 ASP A 105 -6.192 -11.801 13.473 1.00 14.13 H new ATOM 0 HB3 ASP A 105 -6.789 -10.500 14.484 1.00 14.13 H new ATOM 1667 N LEU A 106 -4.380 -11.108 17.433 1.00 73.24 N ATOM 1668 CA LEU A 106 -4.155 -10.291 18.619 1.00 33.32 C ATOM 1669 C LEU A 106 -3.193 -9.146 18.317 1.00 11.42 C ATOM 1670 O LEU A 106 -1.996 -9.242 18.584 1.00 41.53 O ATOM 1671 CB LEU A 106 -3.599 -11.151 19.758 1.00 71.32 C ATOM 1672 CG LEU A 106 -4.150 -12.574 19.853 1.00 63.25 C ATOM 1673 CD1 LEU A 106 -3.306 -13.410 20.803 1.00 1.21 C ATOM 1674 CD2 LEU A 106 -5.603 -12.555 20.303 1.00 52.12 C ATOM 0 H LEU A 106 -3.590 -11.699 17.172 1.00 73.24 H new ATOM 0 HA LEU A 106 -5.112 -9.867 18.925 1.00 33.32 H new ATOM 0 HB2 LEU A 106 -2.516 -11.208 19.648 1.00 71.32 H new ATOM 0 HB3 LEU A 106 -3.797 -10.642 20.701 1.00 71.32 H new ATOM 0 HG LEU A 106 -4.104 -13.028 18.863 1.00 63.25 H new ATOM 0 HD11 LEU A 106 -3.713 -14.420 20.858 1.00 1.21 H new ATOM 0 HD12 LEU A 106 -2.280 -13.452 20.437 1.00 1.21 H new ATOM 0 HD13 LEU A 106 -3.320 -12.958 21.795 1.00 1.21 H new ATOM 0 HD21 LEU A 106 -5.978 -13.577 20.365 1.00 52.12 H new ATOM 0 HD22 LEU A 106 -5.674 -12.082 21.283 1.00 52.12 H new ATOM 0 HD23 LEU A 106 -6.199 -11.993 19.584 1.00 52.12 H new ATOM 1686 N GLN A 107 -3.729 -8.063 17.762 1.00 24.14 N ATOM 1687 CA GLN A 107 -2.917 -6.898 17.426 1.00 50.24 C ATOM 1688 C GLN A 107 -3.375 -5.673 18.208 1.00 1.52 C ATOM 1689 O GLN A 107 -2.613 -4.724 18.394 1.00 71.53 O ATOM 1690 CB GLN A 107 -2.991 -6.616 15.924 1.00 41.43 C ATOM 1691 CG GLN A 107 -2.862 -5.142 15.575 1.00 71.14 C ATOM 1692 CD GLN A 107 -2.420 -4.918 14.142 1.00 50.25 C ATOM 1693 OE1 GLN A 107 -3.239 -4.923 13.221 1.00 5.25 O ATOM 1694 NE2 GLN A 107 -1.123 -4.722 13.945 1.00 50.50 N ATOM 0 H GLN A 107 -4.719 -7.968 17.536 1.00 24.14 H new ATOM 0 HA GLN A 107 -1.884 -7.115 17.698 1.00 50.24 H new ATOM 0 HB2 GLN A 107 -2.200 -7.171 15.419 1.00 41.43 H new ATOM 0 HB3 GLN A 107 -3.939 -6.991 15.539 1.00 41.43 H new ATOM 0 HG2 GLN A 107 -3.821 -4.649 15.737 1.00 71.14 H new ATOM 0 HG3 GLN A 107 -2.145 -4.674 16.250 1.00 71.14 H new ATOM 0 HE21 GLN A 107 -0.481 -4.726 14.737 1.00 50.50 H new ATOM 0 HE22 GLN A 107 -0.768 -4.567 13.001 1.00 50.50 H new ATOM 1703 N GLU A 108 -4.624 -5.699 18.664 1.00 34.51 N ATOM 1704 CA GLU A 108 -5.182 -4.588 19.426 1.00 12.35 C ATOM 1705 C GLU A 108 -5.157 -3.300 18.608 1.00 42.21 C ATOM 1706 O GLU A 108 -4.096 -2.841 18.183 1.00 15.15 O ATOM 1707 CB GLU A 108 -4.404 -4.392 20.729 1.00 30.30 C ATOM 1708 CG GLU A 108 -5.269 -4.486 21.974 1.00 52.14 C ATOM 1709 CD GLU A 108 -5.664 -3.126 22.515 1.00 21.13 C ATOM 1710 OE1 GLU A 108 -4.911 -2.156 22.286 1.00 61.40 O ATOM 1711 OE2 GLU A 108 -6.725 -3.030 23.167 1.00 24.10 O ATOM 0 H GLU A 108 -5.268 -6.477 18.519 1.00 34.51 H new ATOM 0 HA GLU A 108 -6.219 -4.828 19.663 1.00 12.35 H new ATOM 0 HB2 GLU A 108 -3.615 -5.142 20.788 1.00 30.30 H new ATOM 0 HB3 GLU A 108 -3.917 -3.417 20.708 1.00 30.30 H new ATOM 0 HG2 GLU A 108 -6.169 -5.057 21.744 1.00 52.14 H new ATOM 0 HG3 GLU A 108 -4.730 -5.037 22.745 1.00 52.14 H new ATOM 1719 N VAL A 109 -6.333 -2.721 18.390 1.00 64.33 N ATOM 1720 CA VAL A 109 -6.447 -1.486 17.623 1.00 20.31 C ATOM 1721 C VAL A 109 -5.394 -0.472 18.055 1.00 42.34 C ATOM 1722 O VAL A 109 -5.016 -0.392 19.224 1.00 62.34 O ATOM 1723 CB VAL A 109 -7.844 -0.857 17.778 1.00 21.12 C ATOM 1724 CG1 VAL A 109 -8.830 -1.503 16.816 1.00 50.43 C ATOM 1725 CG2 VAL A 109 -8.327 -0.981 19.214 1.00 41.34 C ATOM 0 H VAL A 109 -7.221 -3.087 18.734 1.00 64.33 H new ATOM 0 HA VAL A 109 -6.288 -1.747 16.577 1.00 20.31 H new ATOM 0 HB VAL A 109 -7.776 0.203 17.533 1.00 21.12 H new ATOM 0 HG11 VAL A 109 -9.812 -1.046 16.940 1.00 50.43 H new ATOM 0 HG12 VAL A 109 -8.488 -1.356 15.791 1.00 50.43 H new ATOM 0 HG13 VAL A 109 -8.898 -2.570 17.027 1.00 50.43 H new ATOM 0 HG21 VAL A 109 -9.316 -0.531 19.305 1.00 41.34 H new ATOM 0 HG22 VAL A 109 -8.380 -2.034 19.490 1.00 41.34 H new ATOM 0 HG23 VAL A 109 -7.632 -0.467 19.877 1.00 41.34 H new ATOM 1735 N PRO A 110 -4.907 0.323 17.091 1.00 41.30 N ATOM 1736 CA PRO A 110 -3.892 1.349 17.347 1.00 74.12 C ATOM 1737 C PRO A 110 -4.437 2.512 18.168 1.00 1.52 C ATOM 1738 O PRO A 110 -5.536 3.005 17.910 1.00 32.23 O ATOM 1739 CB PRO A 110 -3.501 1.820 15.945 1.00 44.31 C ATOM 1740 CG PRO A 110 -4.694 1.528 15.101 1.00 65.14 C ATOM 1741 CD PRO A 110 -5.312 0.284 15.675 1.00 63.05 C ATOM 0 HA PRO A 110 -3.056 0.959 17.928 1.00 74.12 H new ATOM 0 HB2 PRO A 110 -3.261 2.883 15.937 1.00 44.31 H new ATOM 0 HB3 PRO A 110 -2.620 1.292 15.581 1.00 44.31 H new ATOM 0 HG2 PRO A 110 -5.399 2.359 15.121 1.00 65.14 H new ATOM 0 HG3 PRO A 110 -4.408 1.377 14.060 1.00 65.14 H new ATOM 0 HD2 PRO A 110 -6.397 0.288 15.567 1.00 63.05 H new ATOM 0 HD3 PRO A 110 -4.945 -0.613 15.177 1.00 63.05 H new ATOM 1749 N SER A 111 -3.663 2.948 19.156 1.00 63.41 N ATOM 1750 CA SER A 111 -4.071 4.052 20.017 1.00 70.33 C ATOM 1751 C SER A 111 -2.970 5.105 20.108 1.00 74.44 C ATOM 1752 O SER A 111 -1.786 4.794 19.979 1.00 51.23 O ATOM 1753 CB SER A 111 -4.416 3.536 21.415 1.00 35.14 C ATOM 1754 OG SER A 111 -5.466 2.586 21.364 1.00 72.44 O ATOM 0 H SER A 111 -2.749 2.554 19.380 1.00 63.41 H new ATOM 0 HA SER A 111 -4.956 4.514 19.580 1.00 70.33 H new ATOM 0 HB2 SER A 111 -3.533 3.083 21.867 1.00 35.14 H new ATOM 0 HB3 SER A 111 -4.708 4.371 22.052 1.00 35.14 H new ATOM 0 HG SER A 111 -5.666 2.271 22.270 1.00 72.44 H new ATOM 1760 N GLY A 112 -3.370 6.353 20.332 1.00 41.23 N ATOM 1761 CA GLY A 112 -2.407 7.433 20.437 1.00 20.02 C ATOM 1762 C GLY A 112 -3.068 8.796 20.491 1.00 34.24 C ATOM 1763 O GLY A 112 -4.117 9.026 19.889 1.00 32.33 O ATOM 0 H GLY A 112 -4.344 6.635 20.443 1.00 41.23 H new ATOM 0 HA2 GLY A 112 -1.802 7.290 21.332 1.00 20.02 H new ATOM 0 HA3 GLY A 112 -1.729 7.395 19.585 1.00 20.02 H new ATOM 1767 N PRO A 113 -2.449 9.729 21.230 1.00 65.34 N ATOM 1768 CA PRO A 113 -2.967 11.092 21.380 1.00 34.23 C ATOM 1769 C PRO A 113 -2.856 11.899 20.091 1.00 55.52 C ATOM 1770 O PRO A 113 -3.601 12.858 19.883 1.00 61.31 O ATOM 1771 CB PRO A 113 -2.071 11.694 22.467 1.00 52.51 C ATOM 1772 CG PRO A 113 -0.802 10.918 22.386 1.00 65.32 C ATOM 1773 CD PRO A 113 -1.195 9.524 21.975 1.00 5.22 C ATOM 0 HA PRO A 113 -4.028 11.100 21.630 1.00 34.23 H new ATOM 0 HB2 PRO A 113 -1.897 12.756 22.293 1.00 52.51 H new ATOM 0 HB3 PRO A 113 -2.528 11.603 23.452 1.00 52.51 H new ATOM 0 HG2 PRO A 113 -0.119 11.361 21.661 1.00 65.32 H new ATOM 0 HG3 PRO A 113 -0.287 10.911 23.346 1.00 65.32 H new ATOM 0 HD2 PRO A 113 -0.430 9.057 21.354 1.00 5.22 H new ATOM 0 HD3 PRO A 113 -1.342 8.877 22.839 1.00 5.22 H new ATOM 1781 N SER A 114 -1.925 11.505 19.229 1.00 51.43 N ATOM 1782 CA SER A 114 -1.716 12.195 17.962 1.00 50.32 C ATOM 1783 C SER A 114 -1.266 13.633 18.194 1.00 12.41 C ATOM 1784 O SER A 114 -1.858 14.360 18.992 1.00 34.10 O ATOM 1785 CB SER A 114 -2.999 12.178 17.130 1.00 73.54 C ATOM 1786 OG SER A 114 -3.638 10.915 17.203 1.00 71.10 O ATOM 0 H SER A 114 -1.303 10.712 19.385 1.00 51.43 H new ATOM 0 HA SER A 114 -0.931 11.671 17.417 1.00 50.32 H new ATOM 0 HB2 SER A 114 -3.677 12.953 17.486 1.00 73.54 H new ATOM 0 HB3 SER A 114 -2.766 12.411 16.091 1.00 73.54 H new ATOM 0 HG SER A 114 -4.456 10.931 16.664 1.00 71.10 H new ATOM 1792 N SER A 115 -0.214 14.040 17.489 1.00 33.10 N ATOM 1793 CA SER A 115 0.319 15.390 17.622 1.00 4.22 C ATOM 1794 C SER A 115 0.617 15.993 16.251 1.00 52.04 C ATOM 1795 O SER A 115 1.451 15.483 15.505 1.00 64.52 O ATOM 1796 CB SER A 115 1.589 15.380 18.473 1.00 54.12 C ATOM 1797 OG SER A 115 2.421 14.285 18.134 1.00 64.22 O ATOM 0 H SER A 115 0.285 13.453 16.820 1.00 33.10 H new ATOM 0 HA SER A 115 -0.434 16.004 18.115 1.00 4.22 H new ATOM 0 HB2 SER A 115 2.134 16.313 18.330 1.00 54.12 H new ATOM 0 HB3 SER A 115 1.323 15.325 19.529 1.00 54.12 H new ATOM 0 HG SER A 115 2.453 14.188 17.159 1.00 64.22 H new ATOM 1803 N GLY A 116 -0.074 17.081 15.927 1.00 12.31 N ATOM 1804 CA GLY A 116 0.130 17.736 14.647 1.00 14.14 C ATOM 1805 C GLY A 116 -0.847 18.871 14.414 1.00 71.01 C ATOM 1806 O GLY A 116 -1.468 18.957 13.355 1.00 72.15 O ATOM 0 H GLY A 116 -0.771 17.521 16.527 1.00 12.31 H new ATOM 0 HA2 GLY A 116 1.148 18.122 14.598 1.00 14.14 H new ATOM 0 HA3 GLY A 116 0.028 17.003 13.847 1.00 14.14 H new TER 1810 GLY A 116