USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 779 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 32 GLN : amide:sc= -1.78 K(o=-3.7,f=-5.7!) USER MOD Set 1.2: A 54 TYR OH : rot 130:sc= 0.154 USER MOD Set 1.3: A 95 GLN : amide:sc= -2.04 K(o=-3.7,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.0242! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc=-0.000296 (180deg=-0.0593) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 31:sc= 0.159 USER MOD Single : A 21 ASN : amide:sc= -0.285 K(o=-0.29,f=-9.1!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -8.04! C(o=-10!,f=-8!) USER MOD Single : A 26 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.3!) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= 0.163 (180deg=0.0506) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc=-0.00719 (180deg=-0.18) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0945 (180deg=-0.605) USER MOD Single : A 44 HIS : no HD1:sc= -0.958 X(o=-0.96,f=-0.78) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 48 SER OG : rot 77:sc= 0.0197 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.015) USER MOD Single : A 51 MET CE :methyl -113:sc= -0.104 (180deg=-0.651) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 132:sc= -1.95 USER MOD Single : A 58 GLN : amide:sc= -0.11 K(o=-0.11,f=-1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -133:sc= -1.78 (180deg=-5.79!) USER MOD Single : A 64 GLN : amide:sc= -0.988 X(o=-0.99,f=-0.66) USER MOD Single : A 72 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 75 ASN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.75) USER MOD Single : A 85 MET CE :methyl 179:sc= -2.06 (180deg=-2.16) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0881 K(o=-0.088,f=-1.8!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 55:sc= 0.433 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.375 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.763 -5.977 -11.698 1.00 0.00 N ATOM 2 CA GLY A 1 42.214 -6.768 -12.784 1.00 0.00 C ATOM 3 C GLY A 1 41.026 -6.099 -13.446 1.00 0.00 C ATOM 4 O GLY A 1 39.884 -6.295 -13.032 1.00 0.00 O ATOM 0 H1 GLY A 1 43.572 -6.478 -11.279 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.077 -5.056 -12.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.033 -5.830 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.990 -6.944 -13.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.912 -7.743 -12.402 1.00 0.00 H new ATOM 8 N SER A 2 41.296 -5.305 -14.477 1.00 0.00 N ATOM 9 CA SER A 2 40.240 -4.600 -15.195 1.00 0.00 C ATOM 10 C SER A 2 39.173 -5.573 -15.686 1.00 0.00 C ATOM 11 O SER A 2 37.977 -5.340 -15.513 1.00 0.00 O ATOM 12 CB SER A 2 40.827 -3.829 -16.379 1.00 0.00 C ATOM 13 OG SER A 2 39.816 -3.128 -17.083 1.00 0.00 O ATOM 0 H SER A 2 42.236 -5.134 -14.834 1.00 0.00 H new ATOM 0 HA SER A 2 39.774 -3.895 -14.506 1.00 0.00 H new ATOM 0 HB2 SER A 2 41.580 -3.126 -16.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 41.331 -4.521 -17.054 1.00 0.00 H new ATOM 0 HG SER A 2 40.217 -2.642 -17.834 1.00 0.00 H new ATOM 19 N SER A 3 39.616 -6.666 -16.301 1.00 0.00 N ATOM 20 CA SER A 3 38.700 -7.674 -16.822 1.00 0.00 C ATOM 21 C SER A 3 37.757 -8.167 -15.729 1.00 0.00 C ATOM 22 O SER A 3 38.180 -8.452 -14.609 1.00 0.00 O ATOM 23 CB SER A 3 39.483 -8.852 -17.405 1.00 0.00 C ATOM 24 OG SER A 3 40.095 -9.615 -16.380 1.00 0.00 O ATOM 0 H SER A 3 40.603 -6.875 -16.450 1.00 0.00 H new ATOM 0 HA SER A 3 38.105 -7.216 -17.612 1.00 0.00 H new ATOM 0 HB2 SER A 3 38.813 -9.487 -17.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 40.245 -8.482 -18.091 1.00 0.00 H new ATOM 0 HG SER A 3 39.621 -9.468 -15.535 1.00 0.00 H new ATOM 30 N GLY A 4 36.473 -8.265 -16.063 1.00 0.00 N ATOM 31 CA GLY A 4 35.489 -8.724 -15.100 1.00 0.00 C ATOM 32 C GLY A 4 34.067 -8.518 -15.582 1.00 0.00 C ATOM 33 O GLY A 4 33.816 -7.700 -16.467 1.00 0.00 O ATOM 0 H GLY A 4 36.097 -8.035 -16.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.651 -9.783 -14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 35.631 -8.193 -14.159 1.00 0.00 H new ATOM 37 N SER A 5 33.132 -9.263 -15.000 1.00 0.00 N ATOM 38 CA SER A 5 31.728 -9.162 -15.379 1.00 0.00 C ATOM 39 C SER A 5 30.822 -9.582 -14.226 1.00 0.00 C ATOM 40 O SER A 5 30.706 -10.767 -13.913 1.00 0.00 O ATOM 41 CB SER A 5 31.446 -10.030 -16.607 1.00 0.00 C ATOM 42 OG SER A 5 30.202 -9.693 -17.195 1.00 0.00 O ATOM 0 H SER A 5 33.322 -9.943 -14.264 1.00 0.00 H new ATOM 0 HA SER A 5 31.517 -8.121 -15.623 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.244 -9.901 -17.338 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.443 -11.082 -16.320 1.00 0.00 H new ATOM 0 HG SER A 5 30.046 -10.261 -17.979 1.00 0.00 H new ATOM 48 N SER A 6 30.182 -8.602 -13.597 1.00 0.00 N ATOM 49 CA SER A 6 29.289 -8.868 -12.476 1.00 0.00 C ATOM 50 C SER A 6 27.925 -8.223 -12.703 1.00 0.00 C ATOM 51 O SER A 6 27.762 -7.384 -13.587 1.00 0.00 O ATOM 52 CB SER A 6 29.901 -8.347 -11.174 1.00 0.00 C ATOM 53 OG SER A 6 29.121 -8.729 -10.055 1.00 0.00 O ATOM 0 H SER A 6 30.265 -7.616 -13.845 1.00 0.00 H new ATOM 0 HA SER A 6 29.154 -9.947 -12.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.914 -8.734 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.978 -7.260 -11.214 1.00 0.00 H new ATOM 0 HG SER A 6 29.534 -8.385 -9.236 1.00 0.00 H new ATOM 59 N GLY A 7 26.946 -8.624 -11.896 1.00 0.00 N ATOM 60 CA GLY A 7 25.609 -8.076 -12.024 1.00 0.00 C ATOM 61 C GLY A 7 25.598 -6.560 -12.006 1.00 0.00 C ATOM 62 O GLY A 7 26.178 -5.940 -11.116 1.00 0.00 O ATOM 0 H GLY A 7 27.056 -9.318 -11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.163 -8.428 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.987 -8.450 -11.211 1.00 0.00 H new ATOM 66 N MET A 8 24.939 -5.963 -12.994 1.00 0.00 N ATOM 67 CA MET A 8 24.857 -4.510 -13.087 1.00 0.00 C ATOM 68 C MET A 8 23.405 -4.053 -13.190 1.00 0.00 C ATOM 69 O MET A 8 22.604 -4.656 -13.904 1.00 0.00 O ATOM 70 CB MET A 8 25.647 -4.010 -14.298 1.00 0.00 C ATOM 71 CG MET A 8 25.220 -4.650 -15.609 1.00 0.00 C ATOM 72 SD MET A 8 25.988 -6.259 -15.880 1.00 0.00 S ATOM 73 CE MET A 8 26.742 -6.008 -17.486 1.00 0.00 C ATOM 0 H MET A 8 24.455 -6.462 -13.740 1.00 0.00 H new ATOM 0 HA MET A 8 25.289 -4.088 -12.180 1.00 0.00 H new ATOM 0 HB2 MET A 8 25.531 -2.929 -14.376 1.00 0.00 H new ATOM 0 HB3 MET A 8 26.707 -4.206 -14.136 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.136 -4.763 -15.617 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.477 -3.986 -16.434 1.00 0.00 H new ATOM 0 HE1 MET A 8 27.258 -6.918 -17.792 1.00 0.00 H new ATOM 0 HE2 MET A 8 25.970 -5.765 -18.216 1.00 0.00 H new ATOM 0 HE3 MET A 8 27.458 -5.188 -17.428 1.00 0.00 H new ATOM 83 N ALA A 9 23.073 -2.986 -12.471 1.00 0.00 N ATOM 84 CA ALA A 9 21.718 -2.448 -12.483 1.00 0.00 C ATOM 85 C ALA A 9 21.652 -1.110 -11.754 1.00 0.00 C ATOM 86 O ALA A 9 22.018 -1.012 -10.583 1.00 0.00 O ATOM 87 CB ALA A 9 20.751 -3.441 -11.857 1.00 0.00 C ATOM 0 H ALA A 9 23.724 -2.477 -11.873 1.00 0.00 H new ATOM 0 HA ALA A 9 21.429 -2.281 -13.521 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.743 -3.026 -11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 9 20.769 -4.372 -12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 9 21.047 -3.637 -10.826 1.00 0.00 H new ATOM 93 N ASP A 10 21.185 -0.083 -12.454 1.00 0.00 N ATOM 94 CA ASP A 10 21.071 1.250 -11.873 1.00 0.00 C ATOM 95 C ASP A 10 19.628 1.742 -11.922 1.00 0.00 C ATOM 96 O ASP A 10 19.234 2.448 -12.850 1.00 0.00 O ATOM 97 CB ASP A 10 21.983 2.231 -12.611 1.00 0.00 C ATOM 98 CG ASP A 10 23.407 2.200 -12.092 1.00 0.00 C ATOM 99 OD1 ASP A 10 23.666 2.812 -11.035 1.00 0.00 O ATOM 100 OD2 ASP A 10 24.262 1.565 -12.743 1.00 0.00 O ATOM 0 H ASP A 10 20.879 -0.147 -13.425 1.00 0.00 H new ATOM 0 HA ASP A 10 21.381 1.193 -10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.982 1.994 -13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.584 3.240 -12.509 1.00 0.00 H new ATOM 105 N GLU A 11 18.844 1.364 -10.917 1.00 0.00 N ATOM 106 CA GLU A 11 17.444 1.766 -10.847 1.00 0.00 C ATOM 107 C GLU A 11 17.252 2.894 -9.838 1.00 0.00 C ATOM 108 O GLU A 11 16.372 2.832 -8.979 1.00 0.00 O ATOM 109 CB GLU A 11 16.566 0.572 -10.468 1.00 0.00 C ATOM 110 CG GLU A 11 16.366 -0.421 -11.600 1.00 0.00 C ATOM 111 CD GLU A 11 17.645 -0.695 -12.368 1.00 0.00 C ATOM 112 OE1 GLU A 11 18.524 -1.396 -11.825 1.00 0.00 O ATOM 113 OE2 GLU A 11 17.766 -0.208 -13.512 1.00 0.00 O ATOM 0 H GLU A 11 19.155 0.780 -10.140 1.00 0.00 H new ATOM 0 HA GLU A 11 17.147 2.128 -11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.015 0.057 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.593 0.937 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.983 -1.357 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.610 -0.038 -12.285 1.00 0.00 H new ATOM 120 N LYS A 12 18.082 3.926 -9.947 1.00 0.00 N ATOM 121 CA LYS A 12 18.005 5.070 -9.046 1.00 0.00 C ATOM 122 C LYS A 12 17.588 4.632 -7.646 1.00 0.00 C ATOM 123 O LYS A 12 16.627 5.142 -7.070 1.00 0.00 O ATOM 124 CB LYS A 12 17.013 6.104 -9.585 1.00 0.00 C ATOM 125 CG LYS A 12 15.604 5.563 -9.756 1.00 0.00 C ATOM 126 CD LYS A 12 14.565 6.664 -9.624 1.00 0.00 C ATOM 127 CE LYS A 12 14.509 7.530 -10.873 1.00 0.00 C ATOM 128 NZ LYS A 12 13.462 8.585 -10.771 1.00 0.00 N ATOM 0 H LYS A 12 18.817 3.994 -10.651 1.00 0.00 H new ATOM 0 HA LYS A 12 18.995 5.522 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.986 6.957 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.371 6.472 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.511 5.089 -10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.416 4.792 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.586 6.222 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.799 7.285 -8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.480 7.997 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.309 6.902 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.456 9.153 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.531 8.139 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.667 9.200 -9.958 1.00 0.00 H new ATOM 142 N PRO A 13 18.328 3.665 -7.082 1.00 0.00 N ATOM 143 CA PRO A 13 18.055 3.139 -5.742 1.00 0.00 C ATOM 144 C PRO A 13 18.369 4.153 -4.646 1.00 0.00 C ATOM 145 O PRO A 13 18.203 3.871 -3.459 1.00 0.00 O ATOM 146 CB PRO A 13 18.990 1.932 -5.637 1.00 0.00 C ATOM 147 CG PRO A 13 20.103 2.232 -6.582 1.00 0.00 C ATOM 148 CD PRO A 13 19.488 3.011 -7.711 1.00 0.00 C ATOM 0 HA PRO A 13 17.002 2.892 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 13 19.358 1.804 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 13 18.477 1.009 -5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 13 20.887 2.809 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 13 20.564 1.314 -6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 13 20.186 3.740 -8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 13 19.186 2.360 -8.531 1.00 0.00 H new ATOM 156 N LYS A 14 18.823 5.334 -5.052 1.00 0.00 N ATOM 157 CA LYS A 14 19.158 6.391 -4.106 1.00 0.00 C ATOM 158 C LYS A 14 17.898 6.999 -3.499 1.00 0.00 C ATOM 159 O LYS A 14 17.300 7.910 -4.072 1.00 0.00 O ATOM 160 CB LYS A 14 19.981 7.481 -4.798 1.00 0.00 C ATOM 161 CG LYS A 14 21.428 7.088 -5.041 1.00 0.00 C ATOM 162 CD LYS A 14 22.312 8.309 -5.232 1.00 0.00 C ATOM 163 CE LYS A 14 23.770 7.993 -4.938 1.00 0.00 C ATOM 164 NZ LYS A 14 24.027 7.869 -3.476 1.00 0.00 N ATOM 0 H LYS A 14 18.967 5.583 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 14 19.750 5.951 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.515 7.726 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.956 8.385 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.793 6.501 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.490 6.451 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 14 22.217 8.672 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 14 21.973 9.111 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 14 24.048 7.064 -5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 14 24.402 8.778 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 25.053 7.857 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 23.602 8.678 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 23.606 6.986 -3.123 1.00 0.00 H new ATOM 178 N GLU A 15 17.500 6.490 -2.338 1.00 0.00 N ATOM 179 CA GLU A 15 16.311 6.984 -1.654 1.00 0.00 C ATOM 180 C GLU A 15 16.408 6.744 -0.150 1.00 0.00 C ATOM 181 O GLU A 15 17.139 5.865 0.303 1.00 0.00 O ATOM 182 CB GLU A 15 15.057 6.306 -2.210 1.00 0.00 C ATOM 183 CG GLU A 15 14.777 6.643 -3.665 1.00 0.00 C ATOM 184 CD GLU A 15 13.388 6.222 -4.104 1.00 0.00 C ATOM 185 OE1 GLU A 15 12.404 6.711 -3.513 1.00 0.00 O ATOM 186 OE2 GLU A 15 13.286 5.402 -5.041 1.00 0.00 O ATOM 0 H GLU A 15 17.984 5.735 -1.851 1.00 0.00 H new ATOM 0 HA GLU A 15 16.243 8.058 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.164 5.226 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.198 6.599 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.891 7.717 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.518 6.153 -4.297 1.00 0.00 H new ATOM 193 N GLY A 16 15.664 7.534 0.618 1.00 0.00 N ATOM 194 CA GLY A 16 15.681 7.393 2.063 1.00 0.00 C ATOM 195 C GLY A 16 16.287 8.597 2.756 1.00 0.00 C ATOM 196 O GLY A 16 17.389 9.029 2.417 1.00 0.00 O ATOM 0 H GLY A 16 15.050 8.269 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.663 7.245 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 16 16.246 6.501 2.331 1.00 0.00 H new ATOM 200 N VAL A 17 15.565 9.144 3.729 1.00 0.00 N ATOM 201 CA VAL A 17 16.038 10.306 4.472 1.00 0.00 C ATOM 202 C VAL A 17 16.936 9.889 5.631 1.00 0.00 C ATOM 203 O VAL A 17 16.679 8.890 6.303 1.00 0.00 O ATOM 204 CB VAL A 17 14.863 11.137 5.020 1.00 0.00 C ATOM 205 CG1 VAL A 17 14.189 10.412 6.175 1.00 0.00 C ATOM 206 CG2 VAL A 17 15.341 12.515 5.451 1.00 0.00 C ATOM 0 H VAL A 17 14.650 8.801 4.021 1.00 0.00 H new ATOM 0 HA VAL A 17 16.611 10.917 3.774 1.00 0.00 H new ATOM 0 HB VAL A 17 14.129 11.265 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.361 11.014 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.811 9.450 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.912 10.251 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.498 13.089 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.095 12.411 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.773 13.034 4.596 1.00 0.00 H new ATOM 216 N LYS A 18 17.992 10.663 5.861 1.00 0.00 N ATOM 217 CA LYS A 18 18.929 10.376 6.941 1.00 0.00 C ATOM 218 C LYS A 18 18.397 10.891 8.274 1.00 0.00 C ATOM 219 O LYS A 18 18.434 10.186 9.283 1.00 0.00 O ATOM 220 CB LYS A 18 20.290 11.011 6.643 1.00 0.00 C ATOM 221 CG LYS A 18 21.222 10.108 5.853 1.00 0.00 C ATOM 222 CD LYS A 18 21.980 9.156 6.762 1.00 0.00 C ATOM 223 CE LYS A 18 23.141 9.853 7.455 1.00 0.00 C ATOM 224 NZ LYS A 18 24.231 8.900 7.805 1.00 0.00 N ATOM 0 H LYS A 18 18.220 11.493 5.314 1.00 0.00 H new ATOM 0 HA LYS A 18 19.046 9.295 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 20.136 11.936 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 18 20.770 11.280 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 18 20.646 9.536 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 18 21.930 10.717 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.301 8.747 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.355 8.315 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.536 10.634 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.782 10.343 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.003 9.414 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.861 8.169 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.591 8.451 6.939 1.00 0.00 H new ATOM 238 N THR A 19 17.901 12.125 8.272 1.00 0.00 N ATOM 239 CA THR A 19 17.361 12.734 9.481 1.00 0.00 C ATOM 240 C THR A 19 15.842 12.616 9.524 1.00 0.00 C ATOM 241 O THR A 19 15.158 12.934 8.552 1.00 0.00 O ATOM 242 CB THR A 19 17.753 14.220 9.585 1.00 0.00 C ATOM 243 OG1 THR A 19 17.255 14.938 8.451 1.00 0.00 O ATOM 244 CG2 THR A 19 19.264 14.376 9.668 1.00 0.00 C ATOM 0 H THR A 19 17.862 12.722 7.446 1.00 0.00 H new ATOM 0 HA THR A 19 17.789 12.194 10.326 1.00 0.00 H new ATOM 0 HB THR A 19 17.311 14.627 10.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 16.421 14.525 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.517 15.434 9.741 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.636 13.852 10.549 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.723 13.954 8.774 1.00 0.00 H new ATOM 252 N GLU A 20 15.320 12.158 10.658 1.00 0.00 N ATOM 253 CA GLU A 20 13.881 11.999 10.826 1.00 0.00 C ATOM 254 C GLU A 20 13.363 12.890 11.952 1.00 0.00 C ATOM 255 O GLU A 20 13.367 12.499 13.119 1.00 0.00 O ATOM 256 CB GLU A 20 13.537 10.537 11.119 1.00 0.00 C ATOM 257 CG GLU A 20 13.521 9.657 9.881 1.00 0.00 C ATOM 258 CD GLU A 20 12.897 8.299 10.139 1.00 0.00 C ATOM 259 OE1 GLU A 20 11.660 8.182 10.015 1.00 0.00 O ATOM 260 OE2 GLU A 20 13.645 7.353 10.464 1.00 0.00 O ATOM 0 H GLU A 20 15.872 11.891 11.473 1.00 0.00 H new ATOM 0 HA GLU A 20 13.398 12.299 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.261 10.137 11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.560 10.492 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.969 10.162 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.541 9.522 9.523 1.00 0.00 H new ATOM 267 N ASN A 21 12.918 14.090 11.593 1.00 0.00 N ATOM 268 CA ASN A 21 12.398 15.037 12.573 1.00 0.00 C ATOM 269 C ASN A 21 11.207 14.447 13.321 1.00 0.00 C ATOM 270 O ASN A 21 11.145 14.497 14.549 1.00 0.00 O ATOM 271 CB ASN A 21 11.988 16.340 11.885 1.00 0.00 C ATOM 272 CG ASN A 21 11.358 16.103 10.526 1.00 0.00 C ATOM 273 OD1 ASN A 21 10.846 15.019 10.248 1.00 0.00 O ATOM 274 ND2 ASN A 21 11.393 17.120 9.672 1.00 0.00 N ATOM 0 H ASN A 21 12.907 14.430 10.631 1.00 0.00 H new ATOM 0 HA ASN A 21 13.188 15.247 13.294 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.284 16.877 12.520 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.864 16.978 11.770 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.985 17.020 8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.828 18.001 9.946 1.00 0.00 H new ATOM 281 N ASN A 22 10.263 13.887 12.572 1.00 0.00 N ATOM 282 CA ASN A 22 9.073 13.287 13.164 1.00 0.00 C ATOM 283 C ASN A 22 9.283 11.797 13.416 1.00 0.00 C ATOM 284 O ASN A 22 10.277 11.217 12.979 1.00 0.00 O ATOM 285 CB ASN A 22 7.863 13.495 12.250 1.00 0.00 C ATOM 286 CG ASN A 22 7.161 14.813 12.511 1.00 0.00 C ATOM 287 OD1 ASN A 22 7.522 15.844 11.942 1.00 0.00 O ATOM 288 ND2 ASN A 22 6.154 14.786 13.375 1.00 0.00 N ATOM 0 H ASN A 22 10.299 13.836 11.554 1.00 0.00 H new ATOM 0 HA ASN A 22 8.887 13.777 14.120 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.186 13.459 11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.158 12.676 12.393 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.644 15.643 13.591 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.890 13.909 13.823 1.00 0.00 H new ATOM 295 N ASP A 23 8.341 11.184 14.124 1.00 0.00 N ATOM 296 CA ASP A 23 8.422 9.761 14.434 1.00 0.00 C ATOM 297 C ASP A 23 7.542 8.948 13.489 1.00 0.00 C ATOM 298 O ASP A 23 6.317 9.071 13.505 1.00 0.00 O ATOM 299 CB ASP A 23 8.004 9.509 15.884 1.00 0.00 C ATOM 300 CG ASP A 23 8.979 10.106 16.879 1.00 0.00 C ATOM 301 OD1 ASP A 23 9.726 11.030 16.497 1.00 0.00 O ATOM 302 OD2 ASP A 23 8.995 9.648 18.042 1.00 0.00 O ATOM 0 H ASP A 23 7.512 11.650 14.494 1.00 0.00 H new ATOM 0 HA ASP A 23 9.456 9.443 14.302 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.013 9.931 16.052 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.926 8.435 16.055 1.00 0.00 H new ATOM 307 N HIS A 24 8.175 8.119 12.666 1.00 0.00 N ATOM 308 CA HIS A 24 7.450 7.286 11.713 1.00 0.00 C ATOM 309 C HIS A 24 8.306 6.107 11.260 1.00 0.00 C ATOM 310 O HIS A 24 9.499 6.043 11.560 1.00 0.00 O ATOM 311 CB HIS A 24 7.022 8.115 10.502 1.00 0.00 C ATOM 312 CG HIS A 24 6.208 9.321 10.859 1.00 0.00 C ATOM 313 ND1 HIS A 24 6.571 10.504 11.405 1.00 0.00 N flip ATOM 314 CD2 HIS A 24 4.845 9.394 10.661 1.00 0.00 C flip ATOM 315 CE1 HIS A 24 5.434 11.264 11.526 1.00 0.00 C flip ATOM 316 NE2 HIS A 24 4.406 10.571 11.069 1.00 0.00 N flip ATOM 0 H HIS A 24 9.188 8.006 12.639 1.00 0.00 H new ATOM 0 HA HIS A 24 6.562 6.897 12.211 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.911 8.435 9.958 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.445 7.484 9.826 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.233 8.611 10.238 1.00 0.00 H new ATOM 0 HE1 HIS A 24 5.387 12.265 11.929 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.438 10.891 11.037 1.00 0.00 H new ATOM 325 N ILE A 25 7.690 5.178 10.538 1.00 0.00 N ATOM 326 CA ILE A 25 8.396 4.002 10.045 1.00 0.00 C ATOM 327 C ILE A 25 8.193 3.829 8.543 1.00 0.00 C ATOM 328 O ILE A 25 7.149 4.191 8.002 1.00 0.00 O ATOM 329 CB ILE A 25 7.931 2.722 10.765 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.486 2.393 10.385 1.00 0.00 C ATOM 331 CG2 ILE A 25 8.065 2.885 12.272 1.00 0.00 C ATOM 332 CD1 ILE A 25 6.006 1.066 10.929 1.00 0.00 C ATOM 0 H ILE A 25 6.704 5.217 10.281 1.00 0.00 H new ATOM 0 HA ILE A 25 9.455 4.160 10.251 1.00 0.00 H new ATOM 0 HB ILE A 25 8.566 1.894 10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.833 3.185 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.397 2.385 9.299 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.733 1.973 12.768 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.107 3.077 12.526 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.451 3.722 12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.974 0.898 10.621 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.635 0.265 10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.062 1.077 12.017 1.00 0.00 H new ATOM 344 N ASN A 26 9.198 3.271 7.876 1.00 0.00 N ATOM 345 CA ASN A 26 9.130 3.048 6.436 1.00 0.00 C ATOM 346 C ASN A 26 9.183 1.558 6.114 1.00 0.00 C ATOM 347 O ASN A 26 10.047 0.834 6.610 1.00 0.00 O ATOM 348 CB ASN A 26 10.277 3.775 5.732 1.00 0.00 C ATOM 349 CG ASN A 26 9.989 5.251 5.531 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.464 5.657 4.494 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.334 6.061 6.525 1.00 0.00 N ATOM 0 H ASN A 26 10.069 2.965 8.309 1.00 0.00 H new ATOM 0 HA ASN A 26 8.181 3.446 6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.189 3.662 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.460 3.308 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.166 7.064 6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.767 5.680 7.366 1.00 0.00 H new ATOM 358 N LEU A 27 8.254 1.106 5.278 1.00 0.00 N ATOM 359 CA LEU A 27 8.195 -0.298 4.887 1.00 0.00 C ATOM 360 C LEU A 27 8.435 -0.457 3.389 1.00 0.00 C ATOM 361 O LEU A 27 7.827 0.238 2.575 1.00 0.00 O ATOM 362 CB LEU A 27 6.838 -0.896 5.265 1.00 0.00 C ATOM 363 CG LEU A 27 6.185 -0.334 6.527 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.737 -0.789 6.628 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.965 -0.754 7.764 1.00 0.00 C ATOM 0 H LEU A 27 7.532 1.691 4.858 1.00 0.00 H new ATOM 0 HA LEU A 27 8.982 -0.832 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.153 -0.749 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.960 -1.972 5.392 1.00 0.00 H new ATOM 0 HG LEU A 27 6.199 0.754 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.289 -0.379 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.183 -0.437 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.700 -1.878 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.485 -0.345 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.984 -1.842 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.985 -0.377 7.696 1.00 0.00 H new ATOM 377 N LYS A 28 9.322 -1.379 3.032 1.00 0.00 N ATOM 378 CA LYS A 28 9.641 -1.633 1.632 1.00 0.00 C ATOM 379 C LYS A 28 8.739 -2.721 1.058 1.00 0.00 C ATOM 380 O LYS A 28 8.841 -3.889 1.435 1.00 0.00 O ATOM 381 CB LYS A 28 11.108 -2.043 1.488 1.00 0.00 C ATOM 382 CG LYS A 28 12.082 -0.891 1.665 1.00 0.00 C ATOM 383 CD LYS A 28 13.433 -1.375 2.163 1.00 0.00 C ATOM 384 CE LYS A 28 13.495 -1.390 3.683 1.00 0.00 C ATOM 385 NZ LYS A 28 14.809 -1.883 4.180 1.00 0.00 N ATOM 0 H LYS A 28 9.833 -1.963 3.693 1.00 0.00 H new ATOM 0 HA LYS A 28 9.471 -0.712 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.334 -2.815 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.258 -2.486 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.208 -0.371 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.670 -0.170 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.625 -2.377 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.219 -0.729 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.317 -0.384 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.698 -2.024 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.703 -2.230 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.142 -2.657 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.500 -1.106 4.162 1.00 0.00 H new ATOM 399 N VAL A 29 7.858 -2.332 0.142 1.00 0.00 N ATOM 400 CA VAL A 29 6.940 -3.274 -0.486 1.00 0.00 C ATOM 401 C VAL A 29 7.548 -3.875 -1.748 1.00 0.00 C ATOM 402 O VAL A 29 7.965 -3.153 -2.653 1.00 0.00 O ATOM 403 CB VAL A 29 5.602 -2.601 -0.844 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.553 -3.647 -1.189 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.128 -1.716 0.299 1.00 0.00 C ATOM 0 H VAL A 29 7.761 -1.370 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 29 6.756 -4.067 0.239 1.00 0.00 H new ATOM 0 HB VAL A 29 5.755 -1.972 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.614 -3.152 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.892 -4.235 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.400 -4.305 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.181 -1.248 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.991 -2.321 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.872 -0.943 0.493 1.00 0.00 H new ATOM 415 N ALA A 30 7.595 -5.202 -1.802 1.00 0.00 N ATOM 416 CA ALA A 30 8.150 -5.901 -2.955 1.00 0.00 C ATOM 417 C ALA A 30 7.045 -6.496 -3.820 1.00 0.00 C ATOM 418 O ALA A 30 6.024 -6.957 -3.311 1.00 0.00 O ATOM 419 CB ALA A 30 9.111 -6.989 -2.500 1.00 0.00 C ATOM 0 H ALA A 30 7.255 -5.815 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 30 8.698 -5.177 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.518 -7.503 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.925 -6.541 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.580 -7.704 -1.872 1.00 0.00 H new ATOM 425 N GLY A 31 7.255 -6.483 -5.133 1.00 0.00 N ATOM 426 CA GLY A 31 6.267 -7.023 -6.048 1.00 0.00 C ATOM 427 C GLY A 31 6.755 -7.043 -7.483 1.00 0.00 C ATOM 428 O GLY A 31 6.539 -8.016 -8.205 1.00 0.00 O ATOM 0 H GLY A 31 8.092 -6.108 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.008 -8.036 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.356 -6.429 -5.986 1.00 0.00 H new ATOM 432 N GLN A 32 7.414 -5.966 -7.897 1.00 0.00 N ATOM 433 CA GLN A 32 7.932 -5.864 -9.256 1.00 0.00 C ATOM 434 C GLN A 32 9.203 -6.692 -9.419 1.00 0.00 C ATOM 435 O GLN A 32 9.817 -7.104 -8.434 1.00 0.00 O ATOM 436 CB GLN A 32 8.213 -4.402 -9.609 1.00 0.00 C ATOM 437 CG GLN A 32 8.039 -4.089 -11.087 1.00 0.00 C ATOM 438 CD GLN A 32 6.616 -4.296 -11.564 1.00 0.00 C ATOM 439 OE1 GLN A 32 5.703 -3.571 -11.166 1.00 0.00 O ATOM 440 NE2 GLN A 32 6.417 -5.290 -12.422 1.00 0.00 N ATOM 0 H GLN A 32 7.602 -5.152 -7.311 1.00 0.00 H new ATOM 0 HA GLN A 32 7.176 -6.256 -9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.547 -3.762 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.232 -4.154 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.334 -3.056 -11.273 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.709 -4.721 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.202 -5.866 -12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.479 -5.477 -12.777 1.00 0.00 H new ATOM 449 N ASP A 33 9.592 -6.931 -10.666 1.00 0.00 N ATOM 450 CA ASP A 33 10.790 -7.709 -10.957 1.00 0.00 C ATOM 451 C ASP A 33 12.036 -6.831 -10.898 1.00 0.00 C ATOM 452 O ASP A 33 13.007 -7.064 -11.616 1.00 0.00 O ATOM 453 CB ASP A 33 10.677 -8.363 -12.335 1.00 0.00 C ATOM 454 CG ASP A 33 11.437 -9.672 -12.419 1.00 0.00 C ATOM 455 OD1 ASP A 33 12.667 -9.659 -12.208 1.00 0.00 O ATOM 456 OD2 ASP A 33 10.800 -10.711 -12.696 1.00 0.00 O ATOM 0 H ASP A 33 9.095 -6.597 -11.492 1.00 0.00 H new ATOM 0 HA ASP A 33 10.880 -8.488 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.626 -8.541 -12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.057 -7.677 -13.092 1.00 0.00 H new ATOM 461 N GLY A 34 12.000 -5.819 -10.036 1.00 0.00 N ATOM 462 CA GLY A 34 13.132 -4.920 -9.900 1.00 0.00 C ATOM 463 C GLY A 34 12.716 -3.525 -9.476 1.00 0.00 C ATOM 464 O GLY A 34 13.351 -2.540 -9.852 1.00 0.00 O ATOM 0 H GLY A 34 11.208 -5.606 -9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.829 -5.327 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.664 -4.864 -10.850 1.00 0.00 H new ATOM 468 N SER A 35 11.646 -3.441 -8.692 1.00 0.00 N ATOM 469 CA SER A 35 11.143 -2.156 -8.220 1.00 0.00 C ATOM 470 C SER A 35 10.551 -2.284 -6.820 1.00 0.00 C ATOM 471 O SER A 35 9.787 -3.208 -6.539 1.00 0.00 O ATOM 472 CB SER A 35 10.087 -1.613 -9.185 1.00 0.00 C ATOM 473 OG SER A 35 10.013 -0.199 -9.117 1.00 0.00 O ATOM 0 H SER A 35 11.111 -4.247 -8.370 1.00 0.00 H new ATOM 0 HA SER A 35 11.980 -1.459 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.328 -1.919 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.115 -2.043 -8.945 1.00 0.00 H new ATOM 0 HG SER A 35 9.332 0.123 -9.744 1.00 0.00 H new ATOM 479 N VAL A 36 10.910 -1.350 -5.945 1.00 0.00 N ATOM 480 CA VAL A 36 10.414 -1.357 -4.574 1.00 0.00 C ATOM 481 C VAL A 36 9.757 -0.028 -4.220 1.00 0.00 C ATOM 482 O VAL A 36 10.314 1.040 -4.478 1.00 0.00 O ATOM 483 CB VAL A 36 11.546 -1.642 -3.569 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.008 -1.649 -2.146 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.229 -2.961 -3.896 1.00 0.00 C ATOM 0 H VAL A 36 11.542 -0.579 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 36 9.673 -2.153 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 36 12.287 -0.846 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.822 -1.852 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.570 -0.677 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.246 -2.423 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.026 -3.146 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.500 -3.770 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.651 -2.913 -4.900 1.00 0.00 H new ATOM 495 N VAL A 37 8.570 -0.099 -3.627 1.00 0.00 N ATOM 496 CA VAL A 37 7.837 1.099 -3.236 1.00 0.00 C ATOM 497 C VAL A 37 7.844 1.277 -1.722 1.00 0.00 C ATOM 498 O VAL A 37 7.401 0.399 -0.982 1.00 0.00 O ATOM 499 CB VAL A 37 6.379 1.052 -3.730 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.683 2.378 -3.467 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.329 0.697 -5.208 1.00 0.00 C ATOM 0 H VAL A 37 8.095 -0.974 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 37 8.342 1.945 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 37 5.850 0.276 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.654 2.326 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.687 2.585 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.208 3.175 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.291 0.668 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.873 1.448 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.787 -0.280 -5.363 1.00 0.00 H new ATOM 511 N GLN A 38 8.349 2.420 -1.268 1.00 0.00 N ATOM 512 CA GLN A 38 8.414 2.714 0.159 1.00 0.00 C ATOM 513 C GLN A 38 7.161 3.451 0.620 1.00 0.00 C ATOM 514 O GLN A 38 6.421 4.008 -0.192 1.00 0.00 O ATOM 515 CB GLN A 38 9.656 3.548 0.473 1.00 0.00 C ATOM 516 CG GLN A 38 10.925 2.722 0.611 1.00 0.00 C ATOM 517 CD GLN A 38 12.183 3.552 0.442 1.00 0.00 C ATOM 518 OE1 GLN A 38 13.026 3.255 -0.405 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.315 4.598 1.249 1.00 0.00 N ATOM 0 H GLN A 38 8.719 3.157 -1.868 1.00 0.00 H new ATOM 0 HA GLN A 38 8.475 1.768 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.797 4.286 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.489 4.099 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.938 2.244 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.918 1.925 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.591 4.806 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.141 5.193 1.182 1.00 0.00 H new ATOM 528 N PHE A 39 6.928 3.451 1.928 1.00 0.00 N ATOM 529 CA PHE A 39 5.764 4.119 2.497 1.00 0.00 C ATOM 530 C PHE A 39 6.037 4.560 3.933 1.00 0.00 C ATOM 531 O PHE A 39 6.372 3.744 4.792 1.00 0.00 O ATOM 532 CB PHE A 39 4.548 3.192 2.460 1.00 0.00 C ATOM 533 CG PHE A 39 4.057 2.903 1.070 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.612 1.876 0.324 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.040 3.660 0.509 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.162 1.609 -0.955 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.586 3.397 -0.769 1.00 0.00 C ATOM 538 CZ PHE A 39 3.147 2.370 -1.502 1.00 0.00 C ATOM 0 H PHE A 39 7.530 2.996 2.614 1.00 0.00 H new ATOM 0 HA PHE A 39 5.556 5.004 1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.803 2.252 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.740 3.643 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.405 1.277 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.598 4.465 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.603 0.806 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.793 3.994 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.793 2.162 -2.501 1.00 0.00 H new ATOM 548 N LYS A 40 5.893 5.856 4.185 1.00 0.00 N ATOM 549 CA LYS A 40 6.123 6.408 5.515 1.00 0.00 C ATOM 550 C LYS A 40 4.803 6.745 6.200 1.00 0.00 C ATOM 551 O LYS A 40 4.111 7.685 5.806 1.00 0.00 O ATOM 552 CB LYS A 40 6.998 7.660 5.426 1.00 0.00 C ATOM 553 CG LYS A 40 7.099 8.426 6.733 1.00 0.00 C ATOM 554 CD LYS A 40 8.096 9.569 6.635 1.00 0.00 C ATOM 555 CE LYS A 40 7.732 10.708 7.575 1.00 0.00 C ATOM 556 NZ LYS A 40 6.525 11.446 7.110 1.00 0.00 N ATOM 0 H LYS A 40 5.618 6.545 3.485 1.00 0.00 H new ATOM 0 HA LYS A 40 6.638 5.654 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.999 7.371 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.596 8.320 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.119 8.819 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.400 7.747 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.095 9.204 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.128 9.938 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.553 10.311 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.572 11.398 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.483 12.373 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.576 11.582 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.672 10.899 7.345 1.00 0.00 H new ATOM 570 N ILE A 41 4.461 5.975 7.227 1.00 0.00 N ATOM 571 CA ILE A 41 3.224 6.195 7.968 1.00 0.00 C ATOM 572 C ILE A 41 3.475 6.181 9.472 1.00 0.00 C ATOM 573 O ILE A 41 4.596 5.949 9.924 1.00 0.00 O ATOM 574 CB ILE A 41 2.166 5.129 7.625 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.486 3.814 8.339 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.095 4.918 6.120 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.485 2.715 8.057 1.00 0.00 C ATOM 0 H ILE A 41 5.022 5.193 7.565 1.00 0.00 H new ATOM 0 HA ILE A 41 2.849 7.175 7.674 1.00 0.00 H new ATOM 0 HB ILE A 41 1.193 5.480 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.478 3.478 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.524 3.993 9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.343 4.162 5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.825 5.855 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.066 4.585 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.774 1.812 8.595 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.495 3.032 8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.464 2.508 6.987 1.00 0.00 H new ATOM 589 N LYS A 42 2.423 6.431 10.243 1.00 0.00 N ATOM 590 CA LYS A 42 2.526 6.445 11.698 1.00 0.00 C ATOM 591 C LYS A 42 2.281 5.054 12.274 1.00 0.00 C ATOM 592 O LYS A 42 1.647 4.212 11.639 1.00 0.00 O ATOM 593 CB LYS A 42 1.524 7.438 12.291 1.00 0.00 C ATOM 594 CG LYS A 42 1.595 8.820 11.665 1.00 0.00 C ATOM 595 CD LYS A 42 0.337 9.625 11.948 1.00 0.00 C ATOM 596 CE LYS A 42 0.214 10.815 11.008 1.00 0.00 C ATOM 597 NZ LYS A 42 0.087 10.388 9.587 1.00 0.00 N ATOM 0 H LYS A 42 1.488 6.627 9.885 1.00 0.00 H new ATOM 0 HA LYS A 42 3.537 6.756 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.516 7.043 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.702 7.524 13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.464 9.352 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.734 8.726 10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.538 8.984 11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.352 9.975 12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.655 11.410 11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.088 11.457 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.371 11.143 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.032 10.200 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.488 9.523 9.534 1.00 0.00 H new ATOM 611 N ARG A 43 2.787 4.821 13.481 1.00 0.00 N ATOM 612 CA ARG A 43 2.622 3.532 14.142 1.00 0.00 C ATOM 613 C ARG A 43 1.150 3.251 14.426 1.00 0.00 C ATOM 614 O ARG A 43 0.687 2.117 14.295 1.00 0.00 O ATOM 615 CB ARG A 43 3.420 3.500 15.448 1.00 0.00 C ATOM 616 CG ARG A 43 4.918 3.347 15.243 1.00 0.00 C ATOM 617 CD ARG A 43 5.681 3.543 16.543 1.00 0.00 C ATOM 618 NE ARG A 43 5.651 2.347 17.381 1.00 0.00 N ATOM 619 CZ ARG A 43 6.417 2.182 18.454 1.00 0.00 C ATOM 620 NH1 ARG A 43 7.268 3.132 18.817 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.332 1.066 19.166 1.00 0.00 N ATOM 0 H ARG A 43 3.314 5.508 14.021 1.00 0.00 H new ATOM 0 HA ARG A 43 2.999 2.758 13.474 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.230 4.419 16.003 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.060 2.676 16.064 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.132 2.357 14.840 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.261 4.072 14.505 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.716 3.804 16.320 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.252 4.381 17.092 1.00 0.00 H new ATOM 0 HE ARG A 43 5.007 1.598 17.129 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.336 3.992 18.272 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.855 3.003 19.641 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.678 0.333 18.890 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.921 0.940 19.990 1.00 0.00 H new ATOM 635 N HIS A 44 0.418 4.290 14.815 1.00 0.00 N ATOM 636 CA HIS A 44 -1.002 4.155 15.118 1.00 0.00 C ATOM 637 C HIS A 44 -1.853 4.521 13.905 1.00 0.00 C ATOM 638 O HIS A 44 -2.883 5.184 14.032 1.00 0.00 O ATOM 639 CB HIS A 44 -1.379 5.041 16.305 1.00 0.00 C ATOM 640 CG HIS A 44 -1.644 6.466 15.929 1.00 0.00 C ATOM 641 ND1 HIS A 44 -2.739 7.173 16.381 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.947 7.318 15.141 1.00 0.00 C ATOM 643 CE1 HIS A 44 -2.705 8.397 15.885 1.00 0.00 C ATOM 644 NE2 HIS A 44 -1.627 8.511 15.130 1.00 0.00 N ATOM 0 H HIS A 44 0.785 5.235 14.928 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.196 3.114 15.376 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.266 4.630 16.787 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.574 5.011 17.040 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.027 7.100 14.618 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.434 9.173 16.066 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.345 9.349 14.621 1.00 0.00 H new ATOM 653 N THR A 45 -1.416 4.084 12.728 1.00 0.00 N ATOM 654 CA THR A 45 -2.135 4.367 11.492 1.00 0.00 C ATOM 655 C THR A 45 -2.486 3.080 10.754 1.00 0.00 C ATOM 656 O THR A 45 -1.655 2.188 10.582 1.00 0.00 O ATOM 657 CB THR A 45 -1.313 5.274 10.558 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.370 6.629 11.016 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.832 5.194 9.131 1.00 0.00 C ATOM 0 H THR A 45 -0.567 3.532 12.605 1.00 0.00 H new ATOM 0 HA THR A 45 -3.053 4.884 11.772 1.00 0.00 H new ATOM 0 HB THR A 45 -0.279 4.929 10.571 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.843 7.199 10.418 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.236 5.843 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.760 4.166 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.873 5.515 9.104 1.00 0.00 H new ATOM 667 N PRO A 46 -3.746 2.979 10.305 1.00 0.00 N ATOM 668 CA PRO A 46 -4.235 1.805 9.575 1.00 0.00 C ATOM 669 C PRO A 46 -3.625 1.693 8.182 1.00 0.00 C ATOM 670 O PRO A 46 -3.750 2.605 7.363 1.00 0.00 O ATOM 671 CB PRO A 46 -5.743 2.049 9.481 1.00 0.00 C ATOM 672 CG PRO A 46 -5.894 3.529 9.570 1.00 0.00 C ATOM 673 CD PRO A 46 -4.790 4.004 10.474 1.00 0.00 C ATOM 0 HA PRO A 46 -3.971 0.874 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.148 1.665 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.276 1.547 10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.817 3.989 8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.871 3.798 9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.433 4.993 10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.121 4.074 11.510 1.00 0.00 H new ATOM 681 N LEU A 47 -2.966 0.570 7.919 1.00 0.00 N ATOM 682 CA LEU A 47 -2.337 0.339 6.623 1.00 0.00 C ATOM 683 C LEU A 47 -3.269 0.745 5.485 1.00 0.00 C ATOM 684 O LEU A 47 -2.822 1.015 4.370 1.00 0.00 O ATOM 685 CB LEU A 47 -1.949 -1.134 6.478 1.00 0.00 C ATOM 686 CG LEU A 47 -1.021 -1.692 7.558 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.832 -3.190 7.376 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.321 -0.976 7.530 1.00 0.00 C ATOM 0 H LEU A 47 -2.853 -0.194 8.585 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.438 0.953 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.861 -1.730 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.469 -1.269 5.509 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.481 -1.520 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.169 -3.570 8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.798 -3.690 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.393 -3.385 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.968 -1.386 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.788 -1.117 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.169 0.088 7.710 1.00 0.00 H new ATOM 700 N SER A 48 -4.565 0.787 5.775 1.00 0.00 N ATOM 701 CA SER A 48 -5.560 1.159 4.776 1.00 0.00 C ATOM 702 C SER A 48 -5.004 2.210 3.820 1.00 0.00 C ATOM 703 O SER A 48 -4.903 1.980 2.615 1.00 0.00 O ATOM 704 CB SER A 48 -6.824 1.689 5.456 1.00 0.00 C ATOM 705 OG SER A 48 -7.794 2.077 4.499 1.00 0.00 O ATOM 0 H SER A 48 -4.951 0.568 6.693 1.00 0.00 H new ATOM 0 HA SER A 48 -5.812 0.268 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.239 0.921 6.108 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.571 2.541 6.088 1.00 0.00 H new ATOM 0 HG SER A 48 -8.227 1.279 4.130 1.00 0.00 H new ATOM 711 N LYS A 49 -4.644 3.366 4.367 1.00 0.00 N ATOM 712 CA LYS A 49 -4.096 4.455 3.567 1.00 0.00 C ATOM 713 C LYS A 49 -2.890 3.984 2.760 1.00 0.00 C ATOM 714 O LYS A 49 -2.784 4.259 1.564 1.00 0.00 O ATOM 715 CB LYS A 49 -3.696 5.626 4.466 1.00 0.00 C ATOM 716 CG LYS A 49 -4.835 6.154 5.321 1.00 0.00 C ATOM 717 CD LYS A 49 -4.415 7.380 6.114 1.00 0.00 C ATOM 718 CE LYS A 49 -4.544 8.650 5.287 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.959 9.102 5.182 1.00 0.00 N ATOM 0 H LYS A 49 -4.722 3.573 5.363 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.869 4.786 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.880 5.311 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.314 6.436 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.683 6.405 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.169 5.374 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.031 7.464 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.383 7.264 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.943 9.440 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.143 8.475 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.995 10.022 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.507 8.404 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.365 9.196 6.135 1.00 0.00 H new ATOM 733 N LEU A 50 -1.984 3.272 3.422 1.00 0.00 N ATOM 734 CA LEU A 50 -0.785 2.761 2.766 1.00 0.00 C ATOM 735 C LEU A 50 -1.148 1.916 1.549 1.00 0.00 C ATOM 736 O LEU A 50 -0.724 2.206 0.431 1.00 0.00 O ATOM 737 CB LEU A 50 0.043 1.930 3.748 1.00 0.00 C ATOM 738 CG LEU A 50 0.920 0.840 3.132 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.849 1.431 2.084 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.718 0.124 4.212 1.00 0.00 C ATOM 0 H LEU A 50 -2.057 3.036 4.412 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.194 3.613 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.683 2.606 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.637 1.462 4.460 1.00 0.00 H new ATOM 0 HG LEU A 50 0.272 0.112 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.465 0.640 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.258 1.897 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.490 2.180 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.337 -0.649 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.356 0.841 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.034 -0.334 4.926 1.00 0.00 H new ATOM 752 N MET A 51 -1.938 0.872 1.774 1.00 0.00 N ATOM 753 CA MET A 51 -2.362 -0.013 0.695 1.00 0.00 C ATOM 754 C MET A 51 -3.036 0.777 -0.423 1.00 0.00 C ATOM 755 O MET A 51 -2.517 0.863 -1.536 1.00 0.00 O ATOM 756 CB MET A 51 -3.318 -1.081 1.228 1.00 0.00 C ATOM 757 CG MET A 51 -2.766 -1.854 2.415 1.00 0.00 C ATOM 758 SD MET A 51 -4.059 -2.432 3.530 1.00 0.00 S ATOM 759 CE MET A 51 -3.371 -3.998 4.063 1.00 0.00 C ATOM 0 H MET A 51 -2.298 0.618 2.694 1.00 0.00 H new ATOM 0 HA MET A 51 -1.475 -0.500 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.255 -0.606 1.519 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.551 -1.781 0.426 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.195 -2.709 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.073 -1.219 2.967 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.983 -4.814 3.679 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.354 -4.097 3.683 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.357 -4.037 5.152 1.00 0.00 H new ATOM 769 N LYS A 52 -4.194 1.352 -0.119 1.00 0.00 N ATOM 770 CA LYS A 52 -4.939 2.136 -1.097 1.00 0.00 C ATOM 771 C LYS A 52 -3.995 2.955 -1.971 1.00 0.00 C ATOM 772 O LYS A 52 -4.130 2.979 -3.194 1.00 0.00 O ATOM 773 CB LYS A 52 -5.930 3.064 -0.390 1.00 0.00 C ATOM 774 CG LYS A 52 -7.089 2.331 0.264 1.00 0.00 C ATOM 775 CD LYS A 52 -8.317 3.218 0.377 1.00 0.00 C ATOM 776 CE LYS A 52 -9.595 2.396 0.439 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.810 3.253 0.357 1.00 0.00 N ATOM 0 H LYS A 52 -4.637 1.290 0.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.490 1.445 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.399 3.638 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.324 3.779 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.333 1.442 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.792 1.991 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.238 3.838 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.359 3.894 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.603 1.675 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.615 1.825 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.660 2.655 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.816 3.924 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.804 3.779 -0.540 1.00 0.00 H new ATOM 791 N ALA A 53 -3.038 3.624 -1.335 1.00 0.00 N ATOM 792 CA ALA A 53 -2.069 4.441 -2.056 1.00 0.00 C ATOM 793 C ALA A 53 -1.174 3.580 -2.940 1.00 0.00 C ATOM 794 O ALA A 53 -0.805 3.981 -4.044 1.00 0.00 O ATOM 795 CB ALA A 53 -1.229 5.248 -1.077 1.00 0.00 C ATOM 0 H ALA A 53 -2.913 3.616 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.617 5.128 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.510 5.854 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.878 5.899 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.697 4.570 -0.409 1.00 0.00 H new ATOM 801 N TYR A 54 -0.829 2.395 -2.448 1.00 0.00 N ATOM 802 CA TYR A 54 0.026 1.479 -3.193 1.00 0.00 C ATOM 803 C TYR A 54 -0.595 1.129 -4.542 1.00 0.00 C ATOM 804 O TYR A 54 0.113 0.854 -5.512 1.00 0.00 O ATOM 805 CB TYR A 54 0.268 0.203 -2.385 1.00 0.00 C ATOM 806 CG TYR A 54 1.147 -0.804 -3.091 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.530 -0.676 -3.082 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.594 -1.884 -3.768 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.337 -1.593 -3.726 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.393 -2.808 -4.414 1.00 0.00 C ATOM 811 CZ TYR A 54 2.764 -2.657 -4.391 1.00 0.00 C ATOM 812 OH TYR A 54 3.564 -3.574 -5.033 1.00 0.00 O ATOM 0 H TYR A 54 -1.128 2.047 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 54 0.980 1.976 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.727 0.468 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.692 -0.261 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.982 0.156 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.479 -2.003 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.411 -1.478 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.947 -3.643 -4.934 1.00 0.00 H new ATOM 0 HH TYR A 54 3.304 -4.480 -4.764 1.00 0.00 H new ATOM 822 N CYS A 55 -1.922 1.143 -4.596 1.00 0.00 N ATOM 823 CA CYS A 55 -2.641 0.827 -5.826 1.00 0.00 C ATOM 824 C CYS A 55 -2.605 2.006 -6.794 1.00 0.00 C ATOM 825 O CYS A 55 -2.146 1.875 -7.928 1.00 0.00 O ATOM 826 CB CYS A 55 -4.090 0.453 -5.512 1.00 0.00 C ATOM 827 SG CYS A 55 -4.263 -0.975 -4.416 1.00 0.00 S ATOM 0 H CYS A 55 -2.522 1.370 -3.803 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.149 -0.023 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.584 1.310 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.611 0.245 -6.447 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.106 -0.694 -3.467 1.00 0.00 H new ATOM 833 N GLU A 56 -3.094 3.155 -6.338 1.00 0.00 N ATOM 834 CA GLU A 56 -3.120 4.355 -7.166 1.00 0.00 C ATOM 835 C GLU A 56 -1.735 4.657 -7.729 1.00 0.00 C ATOM 836 O GLU A 56 -1.593 5.013 -8.900 1.00 0.00 O ATOM 837 CB GLU A 56 -3.625 5.550 -6.354 1.00 0.00 C ATOM 838 CG GLU A 56 -2.525 6.286 -5.607 1.00 0.00 C ATOM 839 CD GLU A 56 -3.050 7.460 -4.804 1.00 0.00 C ATOM 840 OE1 GLU A 56 -4.010 7.268 -4.030 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.499 8.572 -4.951 1.00 0.00 O ATOM 0 H GLU A 56 -3.477 3.280 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.800 4.177 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.127 6.248 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.370 5.203 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.017 5.591 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.782 6.642 -6.320 1.00 0.00 H new ATOM 848 N ARG A 57 -0.716 4.513 -6.888 1.00 0.00 N ATOM 849 CA ARG A 57 0.658 4.772 -7.301 1.00 0.00 C ATOM 850 C ARG A 57 0.992 4.014 -8.583 1.00 0.00 C ATOM 851 O ARG A 57 1.515 4.590 -9.537 1.00 0.00 O ATOM 852 CB ARG A 57 1.631 4.372 -6.191 1.00 0.00 C ATOM 853 CG ARG A 57 3.056 4.842 -6.431 1.00 0.00 C ATOM 854 CD ARG A 57 3.870 4.832 -5.147 1.00 0.00 C ATOM 855 NE ARG A 57 5.199 5.407 -5.337 1.00 0.00 N ATOM 856 CZ ARG A 57 5.971 5.821 -4.338 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.548 5.724 -3.086 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.169 6.332 -4.592 1.00 0.00 N ATOM 0 H ARG A 57 -0.816 4.218 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 57 0.758 5.840 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.277 4.781 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.628 3.287 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.533 4.198 -7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.043 5.850 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.339 5.392 -4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.966 3.808 -4.787 1.00 0.00 H new ATOM 0 HE ARG A 57 5.554 5.496 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.628 5.331 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.142 6.042 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.498 6.407 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.761 6.650 -3.825 1.00 0.00 H new ATOM 872 N GLN A 58 0.688 2.720 -8.595 1.00 0.00 N ATOM 873 CA GLN A 58 0.958 1.884 -9.759 1.00 0.00 C ATOM 874 C GLN A 58 -0.303 1.693 -10.596 1.00 0.00 C ATOM 875 O GLN A 58 -0.304 0.943 -11.571 1.00 0.00 O ATOM 876 CB GLN A 58 1.504 0.524 -9.320 1.00 0.00 C ATOM 877 CG GLN A 58 2.755 0.619 -8.462 1.00 0.00 C ATOM 878 CD GLN A 58 4.026 0.675 -9.286 1.00 0.00 C ATOM 879 OE1 GLN A 58 4.144 0.005 -10.313 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.987 1.476 -8.841 1.00 0.00 N ATOM 0 H GLN A 58 0.255 2.228 -7.813 1.00 0.00 H new ATOM 0 HA GLN A 58 1.706 2.388 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.731 -0.006 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.725 -0.072 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.694 1.508 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.798 -0.240 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.847 2.013 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.865 1.554 -9.355 1.00 0.00 H new ATOM 889 N GLY A 59 -1.375 2.377 -10.208 1.00 0.00 N ATOM 890 CA GLY A 59 -2.627 2.268 -10.933 1.00 0.00 C ATOM 891 C GLY A 59 -3.120 0.837 -11.027 1.00 0.00 C ATOM 892 O GLY A 59 -3.695 0.436 -12.039 1.00 0.00 O ATOM 0 H GLY A 59 -1.399 3.005 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.383 2.878 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.498 2.671 -11.937 1.00 0.00 H new ATOM 896 N LEU A 60 -2.894 0.065 -9.970 1.00 0.00 N ATOM 897 CA LEU A 60 -3.318 -1.330 -9.937 1.00 0.00 C ATOM 898 C LEU A 60 -4.633 -1.482 -9.180 1.00 0.00 C ATOM 899 O LEU A 60 -5.184 -0.507 -8.670 1.00 0.00 O ATOM 900 CB LEU A 60 -2.238 -2.197 -9.287 1.00 0.00 C ATOM 901 CG LEU A 60 -0.846 -2.117 -9.913 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.138 -2.979 -9.138 1.00 0.00 C ATOM 903 CD2 LEU A 60 -0.892 -2.539 -11.374 1.00 0.00 C ATOM 0 H LEU A 60 -2.419 0.382 -9.124 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.471 -1.662 -10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.159 -1.917 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.568 -3.235 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.507 -1.082 -9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.124 -2.910 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.194 -2.630 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.197 -4.016 -9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.108 -2.476 -11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.253 -3.565 -11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.564 -1.879 -11.922 1.00 0.00 H new ATOM 915 N SER A 61 -5.130 -2.713 -9.109 1.00 0.00 N ATOM 916 CA SER A 61 -6.382 -2.993 -8.415 1.00 0.00 C ATOM 917 C SER A 61 -6.117 -3.605 -7.043 1.00 0.00 C ATOM 918 O SER A 61 -5.339 -4.549 -6.912 1.00 0.00 O ATOM 919 CB SER A 61 -7.252 -3.937 -9.247 1.00 0.00 C ATOM 920 OG SER A 61 -7.926 -3.234 -10.277 1.00 0.00 O ATOM 0 H SER A 61 -4.685 -3.532 -9.523 1.00 0.00 H new ATOM 0 HA SER A 61 -6.911 -2.050 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.631 -4.720 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.980 -4.429 -8.602 1.00 0.00 H new ATOM 0 HG SER A 61 -8.474 -3.859 -10.796 1.00 0.00 H new ATOM 926 N MET A 62 -6.770 -3.059 -6.022 1.00 0.00 N ATOM 927 CA MET A 62 -6.607 -3.552 -4.659 1.00 0.00 C ATOM 928 C MET A 62 -6.849 -5.056 -4.592 1.00 0.00 C ATOM 929 O MET A 62 -5.994 -5.812 -4.130 1.00 0.00 O ATOM 930 CB MET A 62 -7.565 -2.826 -3.713 1.00 0.00 C ATOM 931 CG MET A 62 -7.301 -3.111 -2.244 1.00 0.00 C ATOM 932 SD MET A 62 -5.689 -2.513 -1.699 1.00 0.00 S ATOM 933 CE MET A 62 -6.157 -1.518 -0.286 1.00 0.00 C ATOM 0 H MET A 62 -7.417 -2.275 -6.113 1.00 0.00 H new ATOM 0 HA MET A 62 -5.581 -3.353 -4.348 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.489 -1.752 -3.886 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.588 -3.116 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 62 -8.080 -2.644 -1.642 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.364 -4.185 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.651 -0.554 -0.336 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.236 -1.362 -0.292 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.870 -2.031 0.632 1.00 0.00 H new ATOM 943 N ARG A 63 -8.019 -5.484 -5.056 1.00 0.00 N ATOM 944 CA ARG A 63 -8.374 -6.898 -5.046 1.00 0.00 C ATOM 945 C ARG A 63 -7.361 -7.718 -5.840 1.00 0.00 C ATOM 946 O ARG A 63 -6.989 -8.820 -5.437 1.00 0.00 O ATOM 947 CB ARG A 63 -9.775 -7.098 -5.627 1.00 0.00 C ATOM 948 CG ARG A 63 -9.892 -6.692 -7.087 1.00 0.00 C ATOM 949 CD ARG A 63 -9.584 -7.857 -8.016 1.00 0.00 C ATOM 950 NE ARG A 63 -10.749 -8.710 -8.230 1.00 0.00 N ATOM 951 CZ ARG A 63 -10.824 -9.624 -9.190 1.00 0.00 C ATOM 952 NH1 ARG A 63 -9.806 -9.804 -10.020 1.00 0.00 N ATOM 953 NH2 ARG A 63 -11.919 -10.362 -9.321 1.00 0.00 N ATOM 0 H ARG A 63 -8.737 -4.872 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.364 -7.242 -4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.054 -8.147 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.489 -6.520 -5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.899 -6.325 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.207 -5.870 -7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.235 -7.473 -8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.772 -8.451 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.549 -8.598 -7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.962 -9.239 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.867 -10.507 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.704 -10.227 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.976 -11.064 -10.059 1.00 0.00 H new ATOM 967 N GLN A 64 -6.920 -7.172 -6.969 1.00 0.00 N ATOM 968 CA GLN A 64 -5.951 -7.854 -7.819 1.00 0.00 C ATOM 969 C GLN A 64 -4.649 -8.106 -7.066 1.00 0.00 C ATOM 970 O GLN A 64 -3.989 -9.125 -7.272 1.00 0.00 O ATOM 971 CB GLN A 64 -5.676 -7.030 -9.077 1.00 0.00 C ATOM 972 CG GLN A 64 -4.587 -7.615 -9.962 1.00 0.00 C ATOM 973 CD GLN A 64 -3.990 -6.592 -10.908 1.00 0.00 C ATOM 974 OE1 GLN A 64 -4.556 -6.298 -11.961 1.00 0.00 O ATOM 975 NE2 GLN A 64 -2.840 -6.042 -10.536 1.00 0.00 N ATOM 0 H GLN A 64 -7.218 -6.260 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.373 -8.816 -8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.596 -6.947 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.391 -6.020 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.797 -8.028 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.000 -8.442 -10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.406 -6.315 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.391 -5.346 -11.132 1.00 0.00 H new ATOM 984 N ILE A 65 -4.284 -7.171 -6.195 1.00 0.00 N ATOM 985 CA ILE A 65 -3.061 -7.293 -5.412 1.00 0.00 C ATOM 986 C ILE A 65 -3.366 -7.706 -3.976 1.00 0.00 C ATOM 987 O ILE A 65 -4.519 -7.684 -3.545 1.00 0.00 O ATOM 988 CB ILE A 65 -2.269 -5.972 -5.396 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.055 -4.889 -4.654 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.954 -5.526 -6.817 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.192 -3.755 -4.149 1.00 0.00 C ATOM 0 H ILE A 65 -4.818 -6.321 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.457 -8.065 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.328 -6.136 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.818 -4.485 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.575 -5.343 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.394 -4.591 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.358 -6.291 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.884 -5.376 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.816 -3.025 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.445 -4.146 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.692 -3.276 -4.991 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.325 -8.082 -3.240 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.482 -8.500 -1.852 1.00 0.00 C ATOM 1005 C ARG A 66 -1.290 -8.052 -1.012 1.00 0.00 C ATOM 1006 O ARG A 66 -0.194 -7.843 -1.532 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.636 -10.019 -1.770 1.00 0.00 C ATOM 1008 CG ARG A 66 -3.982 -10.523 -2.265 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.006 -10.574 -1.141 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.369 -10.703 -1.648 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.074 -9.685 -2.129 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -6.547 -8.469 -2.168 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.309 -9.882 -2.572 1.00 0.00 N ATOM 0 H ARG A 66 -1.364 -8.106 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.381 -8.029 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.845 -10.488 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.498 -10.334 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.345 -9.872 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.863 -11.517 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.782 -11.415 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.928 -9.669 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.804 -11.626 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.598 -8.313 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.091 -7.689 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.718 -10.816 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.849 -9.100 -2.941 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.511 -7.908 0.290 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.456 -7.484 1.203 1.00 0.00 C ATOM 1029 C PHE A 67 -0.155 -8.572 2.229 1.00 0.00 C ATOM 1030 O PHE A 67 -1.023 -9.375 2.571 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.858 -6.191 1.916 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.053 -5.029 0.985 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.276 -4.816 0.368 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.015 -4.148 0.727 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.458 -3.748 -0.489 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.192 -3.078 -0.130 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.416 -2.877 -0.738 1.00 0.00 C ATOM 0 H PHE A 67 -2.412 -8.079 0.737 1.00 0.00 H new ATOM 0 HA PHE A 67 0.445 -7.302 0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.782 -6.362 2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.091 -5.935 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.096 -5.493 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.944 -4.299 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.416 -3.594 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.626 -2.400 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.558 -2.041 -1.406 1.00 0.00 H new ATOM 1047 N ARG A 68 1.081 -8.591 2.717 1.00 0.00 N ATOM 1048 CA ARG A 68 1.498 -9.581 3.703 1.00 0.00 C ATOM 1049 C ARG A 68 2.659 -9.056 4.543 1.00 0.00 C ATOM 1050 O ARG A 68 3.392 -8.162 4.118 1.00 0.00 O ATOM 1051 CB ARG A 68 1.903 -10.883 3.010 1.00 0.00 C ATOM 1052 CG ARG A 68 0.746 -11.844 2.796 1.00 0.00 C ATOM 1053 CD ARG A 68 1.214 -13.291 2.805 1.00 0.00 C ATOM 1054 NE ARG A 68 0.184 -14.203 2.315 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.356 -15.516 2.206 1.00 0.00 C ATOM 1056 NH1 ARG A 68 1.512 -16.067 2.551 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.629 -16.280 1.751 1.00 0.00 N ATOM 0 H ARG A 68 1.811 -7.932 2.446 1.00 0.00 H new ATOM 0 HA ARG A 68 0.654 -9.777 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.351 -10.647 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.670 -11.378 3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.000 -11.697 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.260 -11.624 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.107 -13.387 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.496 -13.574 3.819 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.717 -13.811 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.271 -15.483 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.642 -17.075 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.519 -15.859 1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.496 -17.288 1.668 1.00 0.00 H new ATOM 1071 N PHE A 69 2.821 -9.617 5.736 1.00 0.00 N ATOM 1072 CA PHE A 69 3.892 -9.205 6.637 1.00 0.00 C ATOM 1073 C PHE A 69 4.439 -10.400 7.413 1.00 0.00 C ATOM 1074 O PHE A 69 3.681 -11.168 8.007 1.00 0.00 O ATOM 1075 CB PHE A 69 3.387 -8.138 7.609 1.00 0.00 C ATOM 1076 CG PHE A 69 4.380 -7.783 8.679 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.301 -6.768 8.478 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.393 -8.466 9.885 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.217 -6.439 9.460 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.305 -8.141 10.870 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.219 -7.127 10.657 1.00 0.00 C ATOM 0 H PHE A 69 2.224 -10.359 6.102 1.00 0.00 H new ATOM 0 HA PHE A 69 4.698 -8.785 6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.132 -7.239 7.048 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.469 -8.491 8.079 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.304 -6.227 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.682 -9.261 10.056 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.930 -5.645 9.291 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.304 -8.679 11.806 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.934 -6.873 11.426 1.00 0.00 H new ATOM 1091 N ASP A 70 5.759 -10.549 7.404 1.00 0.00 N ATOM 1092 CA ASP A 70 6.409 -11.649 8.107 1.00 0.00 C ATOM 1093 C ASP A 70 5.767 -12.984 7.740 1.00 0.00 C ATOM 1094 O ASP A 70 5.799 -13.935 8.520 1.00 0.00 O ATOM 1095 CB ASP A 70 6.333 -11.431 9.619 1.00 0.00 C ATOM 1096 CG ASP A 70 7.498 -12.064 10.354 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.553 -12.278 9.722 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.354 -12.345 11.562 1.00 0.00 O ATOM 0 H ASP A 70 6.400 -9.922 6.918 1.00 0.00 H new ATOM 0 HA ASP A 70 7.455 -11.674 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.313 -10.362 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.399 -11.847 9.997 1.00 0.00 H new ATOM 1103 N GLY A 71 5.183 -13.046 6.547 1.00 0.00 N ATOM 1104 CA GLY A 71 4.541 -14.267 6.098 1.00 0.00 C ATOM 1105 C GLY A 71 3.170 -14.462 6.714 1.00 0.00 C ATOM 1106 O GLY A 71 2.771 -15.587 7.013 1.00 0.00 O ATOM 0 H GLY A 71 5.143 -12.272 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.448 -14.247 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.173 -15.119 6.348 1.00 0.00 H new ATOM 1110 N GLN A 72 2.447 -13.362 6.905 1.00 0.00 N ATOM 1111 CA GLN A 72 1.114 -13.418 7.492 1.00 0.00 C ATOM 1112 C GLN A 72 0.171 -12.444 6.793 1.00 0.00 C ATOM 1113 O GLN A 72 0.566 -11.360 6.362 1.00 0.00 O ATOM 1114 CB GLN A 72 1.178 -13.100 8.987 1.00 0.00 C ATOM 1115 CG GLN A 72 1.024 -11.621 9.302 1.00 0.00 C ATOM 1116 CD GLN A 72 1.572 -11.255 10.667 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.818 -10.932 11.585 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.891 -11.304 10.808 1.00 0.00 N ATOM 0 H GLN A 72 2.762 -12.423 6.662 1.00 0.00 H new ATOM 0 HA GLN A 72 0.728 -14.429 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.395 -13.656 9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.131 -13.450 9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.538 -11.036 8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.031 -11.351 9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.478 -11.577 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.317 -11.069 11.704 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.107 -12.836 6.677 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.133 -12.012 6.031 1.00 0.00 C ATOM 1129 C PRO A 73 -2.485 -10.776 6.852 1.00 0.00 C ATOM 1130 O PRO A 73 -3.000 -10.885 7.965 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.336 -12.953 5.938 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.135 -13.936 7.039 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.648 -14.115 7.168 1.00 0.00 C ATOM 0 HA PRO A 73 -1.800 -11.627 5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.273 -12.410 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.377 -13.448 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.566 -13.571 7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.624 -14.883 6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.354 -14.306 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.291 -14.957 6.574 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.204 -9.603 6.295 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.493 -8.347 6.976 1.00 0.00 C ATOM 1143 C ILE A 74 -3.771 -7.712 6.439 1.00 0.00 C ATOM 1144 O ILE A 74 -4.175 -7.968 5.306 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.333 -7.345 6.825 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.850 -7.305 5.374 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.190 -7.713 7.760 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.013 -6.104 5.057 1.00 0.00 C ATOM 0 H ILE A 74 -1.777 -9.496 5.375 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.623 -8.583 8.032 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.692 -6.352 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.286 -8.213 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.715 -7.305 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.622 -6.996 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.543 -7.695 8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.171 -8.713 7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.319 -6.142 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.554 -5.191 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.897 -6.113 5.694 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.403 -6.880 7.261 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.636 -6.206 6.868 1.00 0.00 C ATOM 1162 C ASN A 75 -5.483 -4.692 6.966 1.00 0.00 C ATOM 1163 O ASN A 75 -4.725 -4.187 7.794 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.798 -6.671 7.748 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.939 -8.181 7.769 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.988 -8.796 8.834 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.005 -8.786 6.589 1.00 0.00 N ATOM 0 H ASN A 75 -4.082 -6.656 8.203 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.848 -6.465 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.648 -6.309 8.765 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.725 -6.227 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.100 -9.800 6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.960 -8.236 5.731 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.209 -3.973 6.116 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.154 -2.515 6.108 1.00 0.00 C ATOM 1176 C GLU A 76 -6.552 -1.948 7.467 1.00 0.00 C ATOM 1177 O GLU A 76 -6.039 -0.914 7.897 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.072 -1.954 5.020 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.449 -2.596 4.995 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.392 -1.915 4.022 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.055 -0.812 3.543 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.467 -2.485 3.740 1.00 0.00 O ATOM 0 H GLU A 76 -6.842 -4.375 5.424 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.127 -2.217 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.184 -0.880 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.598 -2.093 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.351 -3.647 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.879 -2.563 5.996 1.00 0.00 H new ATOM 1189 N THR A 77 -7.472 -2.632 8.141 1.00 0.00 N ATOM 1190 CA THR A 77 -7.941 -2.196 9.450 1.00 0.00 C ATOM 1191 C THR A 77 -6.840 -2.318 10.497 1.00 0.00 C ATOM 1192 O THR A 77 -6.827 -1.585 11.486 1.00 0.00 O ATOM 1193 CB THR A 77 -9.163 -3.014 9.909 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.952 -4.404 9.639 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.426 -2.541 9.205 1.00 0.00 C ATOM 0 H THR A 77 -7.907 -3.490 7.801 1.00 0.00 H new ATOM 0 HA THR A 77 -8.229 -1.150 9.350 1.00 0.00 H new ATOM 0 HB THR A 77 -9.288 -2.868 10.982 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.733 -4.917 9.935 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.276 -3.133 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.600 -1.490 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.309 -2.660 8.128 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.918 -3.248 10.274 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.811 -3.464 11.198 1.00 0.00 C ATOM 1205 C ASP A 78 -3.797 -2.327 11.108 1.00 0.00 C ATOM 1206 O ASP A 78 -3.712 -1.635 10.093 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.125 -4.799 10.903 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.736 -5.948 11.680 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.157 -5.725 12.835 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.793 -7.070 11.135 1.00 0.00 O ATOM 0 H ASP A 78 -5.915 -3.864 9.461 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.215 -3.487 12.210 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.191 -5.010 9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.066 -4.722 11.147 1.00 0.00 H new ATOM 1215 N THR A 79 -3.031 -2.138 12.178 1.00 0.00 N ATOM 1216 CA THR A 79 -2.025 -1.084 12.221 1.00 0.00 C ATOM 1217 C THR A 79 -0.620 -1.669 12.305 1.00 0.00 C ATOM 1218 O THR A 79 -0.422 -2.819 12.695 1.00 0.00 O ATOM 1219 CB THR A 79 -2.250 -0.142 13.418 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.806 -0.872 14.518 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.178 1.002 13.040 1.00 0.00 C ATOM 0 H THR A 79 -3.088 -2.701 13.026 1.00 0.00 H new ATOM 0 HA THR A 79 -2.123 -0.514 11.297 1.00 0.00 H new ATOM 0 HB THR A 79 -1.286 0.275 13.710 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.945 -0.266 15.276 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.322 1.654 13.902 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.737 1.573 12.223 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.141 0.600 12.724 1.00 0.00 H new ATOM 1229 N PRO A 80 0.382 -0.859 11.931 1.00 0.00 N ATOM 1230 CA PRO A 80 1.788 -1.274 11.956 1.00 0.00 C ATOM 1231 C PRO A 80 2.318 -1.436 13.377 1.00 0.00 C ATOM 1232 O PRO A 80 3.371 -2.036 13.591 1.00 0.00 O ATOM 1233 CB PRO A 80 2.510 -0.128 11.243 1.00 0.00 C ATOM 1234 CG PRO A 80 1.627 1.055 11.439 1.00 0.00 C ATOM 1235 CD PRO A 80 0.220 0.525 11.454 1.00 0.00 C ATOM 0 HA PRO A 80 1.935 -2.246 11.485 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.499 0.042 11.668 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.651 -0.346 10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.861 1.566 12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.762 1.780 10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.421 1.106 12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.233 0.558 10.463 1.00 0.00 H new ATOM 1243 N ALA A 81 1.582 -0.898 14.344 1.00 0.00 N ATOM 1244 CA ALA A 81 1.978 -0.986 15.744 1.00 0.00 C ATOM 1245 C ALA A 81 1.494 -2.289 16.370 1.00 0.00 C ATOM 1246 O ALA A 81 2.060 -2.761 17.356 1.00 0.00 O ATOM 1247 CB ALA A 81 1.439 0.207 16.520 1.00 0.00 C ATOM 0 H ALA A 81 0.708 -0.397 14.183 1.00 0.00 H new ATOM 0 HA ALA A 81 3.067 -0.974 15.790 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.742 0.129 17.564 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.838 1.128 16.094 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.351 0.220 16.458 1.00 0.00 H new ATOM 1253 N GLN A 82 0.445 -2.865 15.792 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.114 -4.114 16.296 1.00 0.00 C ATOM 1255 C GLN A 82 0.762 -5.300 15.906 1.00 0.00 C ATOM 1256 O GLN A 82 0.865 -6.279 16.645 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.533 -4.314 15.761 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.318 -5.382 16.505 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.669 -5.660 15.874 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -4.212 -4.825 15.150 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.218 -6.838 16.145 1.00 0.00 N ATOM 0 H GLN A 82 -0.035 -2.487 14.975 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.148 -4.055 17.384 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.072 -3.369 15.823 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.480 -4.582 14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.736 -6.304 16.530 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.462 -5.068 17.539 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.732 -7.500 16.750 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.125 -7.081 15.748 1.00 0.00 H new ATOM 1270 N LEU A 83 1.390 -5.205 14.739 1.00 0.00 N ATOM 1271 CA LEU A 83 2.258 -6.271 14.249 1.00 0.00 C ATOM 1272 C LEU A 83 3.716 -5.990 14.599 1.00 0.00 C ATOM 1273 O LEU A 83 4.617 -6.700 14.155 1.00 0.00 O ATOM 1274 CB LEU A 83 2.105 -6.424 12.735 1.00 0.00 C ATOM 1275 CG LEU A 83 0.671 -6.524 12.211 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.614 -6.155 10.737 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.119 -7.925 12.434 1.00 0.00 C ATOM 0 H LEU A 83 1.315 -4.402 14.115 1.00 0.00 H new ATOM 0 HA LEU A 83 1.960 -7.201 14.734 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.588 -5.574 12.254 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.647 -7.317 12.424 1.00 0.00 H new ATOM 0 HG LEU A 83 0.052 -5.818 12.765 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.414 -6.232 10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.968 -5.133 10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.247 -6.835 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.902 -7.978 12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.740 -8.649 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.123 -8.152 13.500 1.00 0.00 H new ATOM 1289 N GLU A 84 3.938 -4.952 15.398 1.00 0.00 N ATOM 1290 CA GLU A 84 5.287 -4.579 15.808 1.00 0.00 C ATOM 1291 C GLU A 84 6.146 -4.228 14.597 1.00 0.00 C ATOM 1292 O GLU A 84 7.341 -4.521 14.564 1.00 0.00 O ATOM 1293 CB GLU A 84 5.937 -5.718 16.596 1.00 0.00 C ATOM 1294 CG GLU A 84 5.634 -5.679 18.084 1.00 0.00 C ATOM 1295 CD GLU A 84 6.237 -6.852 18.833 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.205 -7.978 18.295 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.740 -6.643 19.957 1.00 0.00 O ATOM 0 H GLU A 84 3.202 -4.354 15.774 1.00 0.00 H new ATOM 0 HA GLU A 84 5.215 -3.699 16.448 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.597 -6.670 16.189 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.017 -5.678 16.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.016 -4.749 18.505 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.554 -5.675 18.231 1.00 0.00 H new ATOM 1304 N MET A 85 5.528 -3.599 13.603 1.00 0.00 N ATOM 1305 CA MET A 85 6.236 -3.207 12.389 1.00 0.00 C ATOM 1306 C MET A 85 7.420 -2.303 12.719 1.00 0.00 C ATOM 1307 O MET A 85 7.253 -1.105 12.944 1.00 0.00 O ATOM 1308 CB MET A 85 5.286 -2.492 11.427 1.00 0.00 C ATOM 1309 CG MET A 85 4.212 -3.399 10.847 1.00 0.00 C ATOM 1310 SD MET A 85 3.468 -2.725 9.349 1.00 0.00 S ATOM 1311 CE MET A 85 3.821 -4.033 8.178 1.00 0.00 C ATOM 0 H MET A 85 4.539 -3.350 13.614 1.00 0.00 H new ATOM 0 HA MET A 85 6.613 -4.111 11.910 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.807 -1.664 11.950 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.865 -2.061 10.611 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.646 -4.374 10.625 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.434 -3.559 11.594 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.407 -3.771 7.204 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.900 -4.162 8.091 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.372 -4.963 8.525 1.00 0.00 H new ATOM 1321 N GLU A 86 8.614 -2.886 12.745 1.00 0.00 N ATOM 1322 CA GLU A 86 9.825 -2.131 13.047 1.00 0.00 C ATOM 1323 C GLU A 86 10.194 -1.207 11.891 1.00 0.00 C ATOM 1324 O GLU A 86 9.532 -1.199 10.853 1.00 0.00 O ATOM 1325 CB GLU A 86 10.985 -3.084 13.344 1.00 0.00 C ATOM 1326 CG GLU A 86 10.909 -3.728 14.718 1.00 0.00 C ATOM 1327 CD GLU A 86 10.723 -2.712 15.828 1.00 0.00 C ATOM 1328 OE1 GLU A 86 9.566 -2.312 16.078 1.00 0.00 O ATOM 1329 OE2 GLU A 86 11.733 -2.317 16.447 1.00 0.00 O ATOM 0 H GLU A 86 8.769 -3.877 12.561 1.00 0.00 H new ATOM 0 HA GLU A 86 9.631 -1.520 13.928 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.004 -3.867 12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.924 -2.537 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.082 -4.438 14.737 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.821 -4.297 14.900 1.00 0.00 H new ATOM 1336 N ASP A 87 11.254 -0.429 12.078 1.00 0.00 N ATOM 1337 CA ASP A 87 11.713 0.499 11.051 1.00 0.00 C ATOM 1338 C ASP A 87 12.474 -0.238 9.953 1.00 0.00 C ATOM 1339 O ASP A 87 13.062 -1.292 10.193 1.00 0.00 O ATOM 1340 CB ASP A 87 12.603 1.578 11.669 1.00 0.00 C ATOM 1341 CG ASP A 87 13.717 0.995 12.516 1.00 0.00 C ATOM 1342 OD1 ASP A 87 14.429 0.094 12.022 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.878 1.439 13.671 1.00 0.00 O ATOM 0 H ASP A 87 11.812 -0.422 12.932 1.00 0.00 H new ATOM 0 HA ASP A 87 10.837 0.972 10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.035 2.187 10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.993 2.241 12.283 1.00 0.00 H new ATOM 1348 N GLU A 88 12.457 0.324 8.748 1.00 0.00 N ATOM 1349 CA GLU A 88 13.143 -0.282 7.614 1.00 0.00 C ATOM 1350 C GLU A 88 12.608 -1.684 7.339 1.00 0.00 C ATOM 1351 O GLU A 88 13.317 -2.537 6.805 1.00 0.00 O ATOM 1352 CB GLU A 88 14.650 -0.341 7.874 1.00 0.00 C ATOM 1353 CG GLU A 88 15.371 0.963 7.575 1.00 0.00 C ATOM 1354 CD GLU A 88 16.838 0.757 7.249 1.00 0.00 C ATOM 1355 OE1 GLU A 88 17.584 0.300 8.139 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.238 1.053 6.104 1.00 0.00 O ATOM 0 H GLU A 88 11.976 1.197 8.533 1.00 0.00 H new ATOM 0 HA GLU A 88 12.956 0.337 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.820 -0.610 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.084 -1.134 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.883 1.460 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.283 1.628 8.434 1.00 0.00 H new ATOM 1363 N ASP A 89 11.353 -1.914 7.707 1.00 0.00 N ATOM 1364 CA ASP A 89 10.721 -3.212 7.501 1.00 0.00 C ATOM 1365 C ASP A 89 10.421 -3.441 6.023 1.00 0.00 C ATOM 1366 O ASP A 89 10.599 -2.546 5.195 1.00 0.00 O ATOM 1367 CB ASP A 89 9.431 -3.311 8.317 1.00 0.00 C ATOM 1368 CG ASP A 89 8.864 -4.717 8.334 1.00 0.00 C ATOM 1369 OD1 ASP A 89 9.253 -5.503 9.223 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.029 -5.030 7.460 1.00 0.00 O ATOM 0 H ASP A 89 10.753 -1.218 8.150 1.00 0.00 H new ATOM 0 HA ASP A 89 11.414 -3.983 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.626 -2.988 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.689 -2.628 7.903 1.00 0.00 H new ATOM 1375 N THR A 90 9.965 -4.646 5.696 1.00 0.00 N ATOM 1376 CA THR A 90 9.642 -4.994 4.318 1.00 0.00 C ATOM 1377 C THR A 90 8.271 -5.655 4.225 1.00 0.00 C ATOM 1378 O THR A 90 7.974 -6.597 4.960 1.00 0.00 O ATOM 1379 CB THR A 90 10.697 -5.941 3.716 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.004 -5.376 3.867 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.416 -6.197 2.243 1.00 0.00 C ATOM 0 H THR A 90 9.811 -5.398 6.368 1.00 0.00 H new ATOM 0 HA THR A 90 9.633 -4.063 3.751 1.00 0.00 H new ATOM 0 HB THR A 90 10.648 -6.891 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.670 -5.984 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.174 -6.868 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.432 -6.653 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.440 -5.253 1.699 1.00 0.00 H new ATOM 1389 N ILE A 91 7.440 -5.155 3.316 1.00 0.00 N ATOM 1390 CA ILE A 91 6.101 -5.699 3.126 1.00 0.00 C ATOM 1391 C ILE A 91 6.063 -6.668 1.950 1.00 0.00 C ATOM 1392 O ILE A 91 6.857 -6.558 1.015 1.00 0.00 O ATOM 1393 CB ILE A 91 5.068 -4.581 2.890 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.307 -3.422 3.859 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.655 -5.125 3.043 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.425 -2.222 3.595 1.00 0.00 C ATOM 0 H ILE A 91 7.670 -4.375 2.700 1.00 0.00 H new ATOM 0 HA ILE A 91 5.844 -6.233 4.041 1.00 0.00 H new ATOM 0 HB ILE A 91 5.185 -4.208 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.138 -3.770 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.351 -3.116 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.936 -4.323 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.490 -5.920 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.525 -5.522 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.649 -1.439 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.611 -1.848 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.378 -2.512 3.687 1.00 0.00 H new ATOM 1408 N ASP A 92 5.134 -7.616 2.001 1.00 0.00 N ATOM 1409 CA ASP A 92 4.990 -8.604 0.938 1.00 0.00 C ATOM 1410 C ASP A 92 3.758 -8.311 0.087 1.00 0.00 C ATOM 1411 O ASP A 92 2.636 -8.276 0.592 1.00 0.00 O ATOM 1412 CB ASP A 92 4.894 -10.011 1.529 1.00 0.00 C ATOM 1413 CG ASP A 92 6.229 -10.518 2.037 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.195 -10.537 1.247 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.307 -10.896 3.225 1.00 0.00 O ATOM 0 H ASP A 92 4.469 -7.721 2.767 1.00 0.00 H new ATOM 0 HA ASP A 92 5.872 -8.546 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.174 -10.010 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.514 -10.695 0.771 1.00 0.00 H new ATOM 1420 N VAL A 93 3.975 -8.099 -1.207 1.00 0.00 N ATOM 1421 CA VAL A 93 2.883 -7.809 -2.128 1.00 0.00 C ATOM 1422 C VAL A 93 3.133 -8.440 -3.494 1.00 0.00 C ATOM 1423 O VAL A 93 4.269 -8.495 -3.965 1.00 0.00 O ATOM 1424 CB VAL A 93 2.685 -6.292 -2.304 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.515 -6.010 -3.235 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.477 -5.622 -0.954 1.00 0.00 C ATOM 0 H VAL A 93 4.898 -8.123 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 93 1.980 -8.238 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 93 3.585 -5.876 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.391 -4.933 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.710 -6.456 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.605 -6.439 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.339 -4.550 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.593 -6.041 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.350 -5.794 -0.324 1.00 0.00 H new ATOM 1436 N PHE A 94 2.065 -8.914 -4.125 1.00 0.00 N ATOM 1437 CA PHE A 94 2.168 -9.541 -5.437 1.00 0.00 C ATOM 1438 C PHE A 94 1.548 -8.656 -6.514 1.00 0.00 C ATOM 1439 O PHE A 94 0.329 -8.493 -6.572 1.00 0.00 O ATOM 1440 CB PHE A 94 1.481 -10.909 -5.428 1.00 0.00 C ATOM 1441 CG PHE A 94 2.000 -11.832 -4.362 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.606 -11.678 -3.043 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.879 -12.854 -4.680 1.00 0.00 C ATOM 1444 CE1 PHE A 94 2.082 -12.526 -2.060 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.358 -13.705 -3.702 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.958 -13.541 -2.391 1.00 0.00 C ATOM 0 H PHE A 94 1.118 -8.876 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 94 3.225 -9.674 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.410 -10.768 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.614 -11.380 -6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.920 -10.887 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.194 -12.988 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.769 -12.395 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.044 -14.497 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.330 -14.206 -1.625 1.00 0.00 H new ATOM 1456 N GLN A 95 2.395 -8.086 -7.365 1.00 0.00 N ATOM 1457 CA GLN A 95 1.931 -7.216 -8.438 1.00 0.00 C ATOM 1458 C GLN A 95 1.639 -8.019 -9.702 1.00 0.00 C ATOM 1459 O GLN A 95 2.555 -8.421 -10.418 1.00 0.00 O ATOM 1460 CB GLN A 95 2.973 -6.137 -8.736 1.00 0.00 C ATOM 1461 CG GLN A 95 2.821 -4.891 -7.878 1.00 0.00 C ATOM 1462 CD GLN A 95 3.447 -3.665 -8.512 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.816 -3.680 -9.687 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.570 -2.594 -7.737 1.00 0.00 N ATOM 0 H GLN A 95 3.407 -8.211 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 95 1.008 -6.739 -8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.969 -6.553 -8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.902 -5.855 -9.787 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.762 -4.703 -7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.280 -5.066 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.251 -2.626 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.984 -1.739 -8.110 1.00 0.00 H new ATOM 1473 N GLN A 96 0.357 -8.250 -9.967 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.055 -9.006 -11.144 1.00 0.00 C ATOM 1475 C GLN A 96 0.257 -8.236 -12.423 1.00 0.00 C ATOM 1476 O GLN A 96 0.080 -7.020 -12.485 1.00 0.00 O ATOM 1477 CB GLN A 96 -1.551 -9.320 -11.076 1.00 0.00 C ATOM 1478 CG GLN A 96 -2.092 -9.976 -12.336 1.00 0.00 C ATOM 1479 CD GLN A 96 -1.847 -11.472 -12.367 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -1.661 -12.104 -11.327 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -1.845 -12.047 -13.564 1.00 0.00 N ATOM 0 H GLN A 96 -0.414 -7.925 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 96 0.506 -9.941 -11.159 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.738 -9.976 -10.226 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.100 -8.396 -10.893 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.163 -9.786 -12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.626 -9.517 -13.208 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.004 -11.485 -14.400 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.685 -13.051 -13.647 1.00 0.00 H new ATOM 1490 N GLN A 97 0.724 -8.953 -13.440 1.00 0.00 N ATOM 1491 CA GLN A 97 1.062 -8.336 -14.717 1.00 0.00 C ATOM 1492 C GLN A 97 -0.164 -7.685 -15.349 1.00 0.00 C ATOM 1493 O GLN A 97 -1.044 -8.370 -15.872 1.00 0.00 O ATOM 1494 CB GLN A 97 1.649 -9.378 -15.671 1.00 0.00 C ATOM 1495 CG GLN A 97 2.955 -9.984 -15.181 1.00 0.00 C ATOM 1496 CD GLN A 97 3.751 -10.634 -16.296 1.00 0.00 C ATOM 1497 OE1 GLN A 97 3.511 -11.788 -16.654 1.00 0.00 O ATOM 1498 NE2 GLN A 97 4.705 -9.896 -16.851 1.00 0.00 N ATOM 0 H GLN A 97 0.877 -9.961 -13.405 1.00 0.00 H new ATOM 0 HA GLN A 97 1.807 -7.562 -14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.921 -10.175 -15.818 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.815 -8.915 -16.644 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.559 -9.206 -14.714 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.741 -10.726 -14.412 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.869 -8.944 -16.523 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.273 -10.281 -17.605 1.00 0.00 H new ATOM 1507 N THR A 98 -0.216 -6.358 -15.296 1.00 0.00 N ATOM 1508 CA THR A 98 -1.335 -5.614 -15.862 1.00 0.00 C ATOM 1509 C THR A 98 -1.815 -6.248 -17.163 1.00 0.00 C ATOM 1510 O THR A 98 -1.074 -6.312 -18.143 1.00 0.00 O ATOM 1511 CB THR A 98 -0.955 -4.145 -16.129 1.00 0.00 C ATOM 1512 OG1 THR A 98 -0.395 -3.561 -14.947 1.00 0.00 O ATOM 1513 CG2 THR A 98 -2.171 -3.344 -16.570 1.00 0.00 C ATOM 0 H THR A 98 0.504 -5.776 -14.867 1.00 0.00 H new ATOM 0 HA THR A 98 -2.140 -5.646 -15.127 1.00 0.00 H new ATOM 0 HB THR A 98 -0.215 -4.123 -16.929 1.00 0.00 H new ATOM 0 HG1 THR A 98 -0.155 -2.628 -15.126 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.879 -2.310 -16.753 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.577 -3.774 -17.486 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.930 -3.374 -15.788 1.00 0.00 H new ATOM 1521 N SER A 99 -3.060 -6.713 -17.164 1.00 0.00 N ATOM 1522 CA SER A 99 -3.638 -7.345 -18.345 1.00 0.00 C ATOM 1523 C SER A 99 -4.128 -6.295 -19.338 1.00 0.00 C ATOM 1524 O SER A 99 -5.310 -5.957 -19.369 1.00 0.00 O ATOM 1525 CB SER A 99 -4.795 -8.263 -17.943 1.00 0.00 C ATOM 1526 OG SER A 99 -5.758 -7.563 -17.175 1.00 0.00 O ATOM 0 H SER A 99 -3.688 -6.664 -16.361 1.00 0.00 H new ATOM 0 HA SER A 99 -2.861 -7.940 -18.826 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.266 -8.673 -18.837 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.411 -9.107 -17.370 1.00 0.00 H new ATOM 0 HG SER A 99 -6.060 -6.773 -17.670 1.00 0.00 H new ATOM 1532 N GLY A 100 -3.208 -5.783 -20.149 1.00 0.00 N ATOM 1533 CA GLY A 100 -3.564 -4.776 -21.133 1.00 0.00 C ATOM 1534 C GLY A 100 -4.023 -3.480 -20.496 1.00 0.00 C ATOM 1535 O GLY A 100 -5.214 -3.260 -20.275 1.00 0.00 O ATOM 0 H GLY A 100 -2.223 -6.047 -20.143 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.704 -4.578 -21.773 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.356 -5.163 -21.774 1.00 0.00 H new ATOM 1539 N PRO A 101 -3.064 -2.595 -20.187 1.00 0.00 N ATOM 1540 CA PRO A 101 -3.352 -1.299 -19.566 1.00 0.00 C ATOM 1541 C PRO A 101 -4.063 -0.344 -20.519 1.00 0.00 C ATOM 1542 O PRO A 101 -3.466 0.152 -21.475 1.00 0.00 O ATOM 1543 CB PRO A 101 -1.965 -0.762 -19.206 1.00 0.00 C ATOM 1544 CG PRO A 101 -1.040 -1.430 -20.164 1.00 0.00 C ATOM 1545 CD PRO A 101 -1.623 -2.791 -20.422 1.00 0.00 C ATOM 0 HA PRO A 101 -4.021 -1.397 -18.711 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.922 0.323 -19.305 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.705 -0.998 -18.174 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.957 -0.859 -21.089 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.036 -1.508 -19.747 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.424 -3.127 -21.440 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.205 -3.541 -19.751 1.00 0.00 H new ATOM 1553 N SER A 102 -5.340 -0.091 -20.253 1.00 0.00 N ATOM 1554 CA SER A 102 -6.133 0.802 -21.090 1.00 0.00 C ATOM 1555 C SER A 102 -6.136 0.328 -22.540 1.00 0.00 C ATOM 1556 O SER A 102 -6.082 1.134 -23.469 1.00 0.00 O ATOM 1557 CB SER A 102 -5.587 2.229 -21.009 1.00 0.00 C ATOM 1558 OG SER A 102 -5.666 2.731 -19.687 1.00 0.00 O ATOM 0 H SER A 102 -5.848 -0.492 -19.464 1.00 0.00 H new ATOM 0 HA SER A 102 -7.158 0.791 -20.721 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.550 2.245 -21.346 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.151 2.876 -21.681 1.00 0.00 H new ATOM 0 HG SER A 102 -5.309 3.643 -19.662 1.00 0.00 H new ATOM 1564 N SER A 103 -6.198 -0.987 -22.726 1.00 0.00 N ATOM 1565 CA SER A 103 -6.204 -1.571 -24.062 1.00 0.00 C ATOM 1566 C SER A 103 -7.337 -2.582 -24.208 1.00 0.00 C ATOM 1567 O SER A 103 -8.046 -2.880 -23.248 1.00 0.00 O ATOM 1568 CB SER A 103 -4.862 -2.245 -24.353 1.00 0.00 C ATOM 1569 OG SER A 103 -4.623 -3.314 -23.454 1.00 0.00 O ATOM 0 H SER A 103 -6.245 -1.668 -21.968 1.00 0.00 H new ATOM 0 HA SER A 103 -6.362 -0.768 -24.782 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.853 -2.618 -25.377 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.059 -1.512 -24.274 1.00 0.00 H new ATOM 0 HG SER A 103 -3.760 -3.729 -23.662 1.00 0.00 H new ATOM 1575 N GLY A 104 -7.500 -3.108 -25.418 1.00 0.00 N ATOM 1576 CA GLY A 104 -8.548 -4.080 -25.669 1.00 0.00 C ATOM 1577 C GLY A 104 -9.584 -3.575 -26.654 1.00 0.00 C ATOM 1578 O GLY A 104 -9.681 -2.374 -26.900 1.00 0.00 O ATOM 0 H GLY A 104 -6.925 -2.878 -26.229 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -8.103 -4.998 -26.053 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.038 -4.332 -24.729 1.00 0.00 H new TER 1582 GLY A 104