USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 928 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 75 SER OG : rot 109:sc= 2.11 USER MOD Set 1.2: A 105 HIS : no HD1:sc= 0.672 K(o=2.8,f=-0.013!) USER MOD Set 2.1: A 71 ASN : amide:sc= 0.504 K(o=1.8,f=-0.22) USER MOD Set 2.2: A 73 TYR OH : rot -23:sc= 1.25 USER MOD Set 3.1: A 61 LYS NZ :NH3+ -174:sc= 0.952 (180deg=0) USER MOD Set 3.2: A 74 GLN : amide:sc= 1.12 K(o=2.1,f=-1.6) USER MOD Set 4.1: A 60 GLN : amide:sc= 0.857 K(o=1.9,f=-4.5) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 151:sc= 1.06 (180deg=-0.317) USER MOD Set 5.1: A 12 HIS : no HE2:sc= -0.107 K(o=1.2,f=-6.4!) USER MOD Set 5.2: A 44 ASN : amide:sc= 1.32 K(o=1.2,f=-8.3!) USER MOD Set 6.1: A 36 THR OG1 : rot 149:sc= 1.13 USER MOD Set 6.2: A 92 TYR OH : rot 180:sc= 0.924 USER MOD Set 7.1: A 23 SER OG : rot 180:sc= 0.0237 USER MOD Set 7.2: A 27 ASN : amide:sc= 0.658 K(o=0.083,f=-6.2!) USER MOD Set 7.3: A 30 MET CE :methyl -151:sc= -0.599 (180deg=-3.02) USER MOD Set 8.1: A 20 SER OG : rot 180:sc= 0.515 USER MOD Set 8.2: A 21 SER OG : rot 180:sc= 0.00393 USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0 (180deg=-0.054) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0162) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 13 MET CE :methyl -178:sc= -0.165 (180deg=-0.177) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.56) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 24 ASN : amide:sc= 0.599 K(o=0.6,f=-0.0041) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -177:sc= -0.346 (180deg=-0.362) USER MOD Single : A 37 GLN : amide:sc= 0.846 K(o=0.85,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0691) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc=-0.00197 (180deg=-0.111) USER MOD Single : A 45 THR OG1 : rot 170:sc= 0.21 USER MOD Single : A 48 HIS : +bothHN:sc= 1.11 K(o=1.1,f=-6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 77 SER OG : rot 180:sc= 0.076 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 79 MET CE :methyl 173:sc= -0.0978 (180deg=-0.12) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -160:sc= -0.0548 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 120:sc= 1.78 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0531) USER MOD Single : A 94 ASN : amide:sc= 0.306 K(o=0.31,f=-4.5!) USER MOD Single : A 97 TYR OH : rot 150:sc= 0.493 USER MOD Single : A 98 LYS NZ :NH3+ -156:sc= -0.196 (180deg=-0.666) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.225 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.17 USER MOD Single : A 119 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.33) USER MOD Single : A 123 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.753 -6.941 5.560 1.00 0.00 N ATOM 2 CA LYS A 1 -14.697 -7.791 6.765 1.00 0.00 C ATOM 3 C LYS A 1 -13.265 -8.246 7.058 1.00 0.00 C ATOM 4 O LYS A 1 -12.742 -7.992 8.137 1.00 0.00 O ATOM 5 CB LYS A 1 -15.620 -9.015 6.638 1.00 0.00 C ATOM 6 CG LYS A 1 -17.098 -8.642 6.464 1.00 0.00 C ATOM 7 CD LYS A 1 -17.948 -9.922 6.485 1.00 0.00 C ATOM 8 CE LYS A 1 -19.448 -9.628 6.366 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.795 -9.043 5.059 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.720 -6.579 5.435 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.096 -6.142 5.668 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.483 -7.502 4.727 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.047 -7.182 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.301 -9.616 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.511 -9.638 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.412 -7.969 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.243 -8.110 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.642 -10.572 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.759 -10.465 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -20.011 -10.550 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.747 -8.944 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.827 -8.938 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.345 -8.110 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.458 -9.667 4.299 1.00 0.00 H new ATOM 25 N GLU A 2 -12.659 -8.938 6.087 1.00 0.00 N ATOM 26 CA GLU A 2 -11.406 -9.665 6.208 1.00 0.00 C ATOM 27 C GLU A 2 -10.348 -8.982 7.085 1.00 0.00 C ATOM 28 O GLU A 2 -9.658 -8.049 6.664 1.00 0.00 O ATOM 29 CB GLU A 2 -10.851 -9.963 4.814 1.00 0.00 C ATOM 30 CG GLU A 2 -9.587 -10.825 4.908 1.00 0.00 C ATOM 31 CD GLU A 2 -9.914 -12.307 5.062 1.00 0.00 C ATOM 32 OE1 GLU A 2 -10.234 -12.930 4.028 1.00 0.00 O ATOM 33 OE2 GLU A 2 -9.847 -12.781 6.217 1.00 0.00 O ATOM 0 H GLU A 2 -13.056 -9.005 5.150 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.641 -10.592 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.605 -10.478 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.623 -9.029 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.982 -10.679 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.987 -10.496 5.756 1.00 0.00 H new ATOM 40 N SER A 3 -10.128 -9.562 8.260 1.00 0.00 N ATOM 41 CA SER A 3 -9.174 -9.150 9.262 1.00 0.00 C ATOM 42 C SER A 3 -7.750 -9.534 8.900 1.00 0.00 C ATOM 43 O SER A 3 -7.072 -10.254 9.628 1.00 0.00 O ATOM 44 CB SER A 3 -9.570 -9.820 10.567 1.00 0.00 C ATOM 45 OG SER A 3 -10.916 -9.518 10.882 1.00 0.00 O ATOM 0 H SER A 3 -10.652 -10.388 8.549 1.00 0.00 H new ATOM 0 HA SER A 3 -9.192 -8.063 9.344 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.442 -10.899 10.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.916 -9.482 11.371 1.00 0.00 H new ATOM 0 HG SER A 3 -11.161 -9.956 11.724 1.00 0.00 H new ATOM 51 N ALA A 4 -7.314 -9.012 7.768 1.00 0.00 N ATOM 52 CA ALA A 4 -6.012 -9.209 7.191 1.00 0.00 C ATOM 53 C ALA A 4 -6.030 -8.314 5.968 1.00 0.00 C ATOM 54 O ALA A 4 -5.445 -7.238 5.971 1.00 0.00 O ATOM 55 CB ALA A 4 -5.802 -10.688 6.835 1.00 0.00 C ATOM 0 H ALA A 4 -7.901 -8.403 7.198 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.190 -8.961 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.812 -10.820 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.886 -11.295 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.559 -11.000 6.116 1.00 0.00 H new ATOM 61 N ALA A 5 -6.804 -8.714 4.962 1.00 0.00 N ATOM 62 CA ALA A 5 -6.784 -8.053 3.669 1.00 0.00 C ATOM 63 C ALA A 5 -7.743 -6.877 3.611 1.00 0.00 C ATOM 64 O ALA A 5 -7.392 -5.874 3.002 1.00 0.00 O ATOM 65 CB ALA A 5 -7.020 -9.022 2.516 1.00 0.00 C ATOM 0 H ALA A 5 -7.455 -9.497 5.023 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.777 -7.655 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.995 -8.477 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.241 -9.784 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.993 -9.498 2.635 1.00 0.00 H new ATOM 71 N ALA A 6 -8.929 -6.951 4.233 1.00 0.00 N ATOM 72 CA ALA A 6 -9.802 -5.779 4.223 1.00 0.00 C ATOM 73 C ALA A 6 -9.141 -4.691 5.062 1.00 0.00 C ATOM 74 O ALA A 6 -9.128 -3.522 4.687 1.00 0.00 O ATOM 75 CB ALA A 6 -11.213 -6.098 4.727 1.00 0.00 C ATOM 0 H ALA A 6 -9.289 -7.769 4.725 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.929 -5.435 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.822 -5.194 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.664 -6.859 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.159 -6.468 5.751 1.00 0.00 H new ATOM 81 N LYS A 7 -8.540 -5.099 6.181 1.00 0.00 N ATOM 82 CA LYS A 7 -7.781 -4.197 7.023 1.00 0.00 C ATOM 83 C LYS A 7 -6.613 -3.590 6.235 1.00 0.00 C ATOM 84 O LYS A 7 -6.552 -2.374 6.061 1.00 0.00 O ATOM 85 CB LYS A 7 -7.328 -4.959 8.272 1.00 0.00 C ATOM 86 CG LYS A 7 -8.515 -5.170 9.222 1.00 0.00 C ATOM 87 CD LYS A 7 -8.048 -5.776 10.550 1.00 0.00 C ATOM 88 CE LYS A 7 -9.244 -5.978 11.488 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.827 -6.558 12.776 1.00 0.00 N ATOM 0 H LYS A 7 -8.570 -6.060 6.521 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.398 -3.359 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.905 -5.922 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.540 -4.403 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.013 -4.218 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.248 -5.828 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.553 -6.730 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.315 -5.121 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.738 -5.022 11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.974 -6.632 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.660 -6.682 13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.378 -7.482 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.149 -5.921 13.240 1.00 0.00 H new ATOM 103 N PHE A 8 -5.705 -4.439 5.740 1.00 0.00 N ATOM 104 CA PHE A 8 -4.569 -4.042 4.914 1.00 0.00 C ATOM 105 C PHE A 8 -5.002 -3.063 3.822 1.00 0.00 C ATOM 106 O PHE A 8 -4.445 -1.976 3.690 1.00 0.00 O ATOM 107 CB PHE A 8 -3.945 -5.294 4.292 1.00 0.00 C ATOM 108 CG PHE A 8 -2.720 -5.036 3.438 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.461 -4.883 4.046 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.840 -4.931 2.040 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.333 -4.587 3.262 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.705 -4.667 1.255 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.450 -4.494 1.866 1.00 0.00 C ATOM 0 H PHE A 8 -5.745 -5.444 5.909 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.833 -3.536 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.675 -5.984 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.698 -5.793 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.361 -4.993 5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.805 -5.053 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.626 -4.431 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.796 -4.597 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.422 -4.290 1.262 1.00 0.00 H new ATOM 123 N GLU A 9 -6.019 -3.460 3.059 1.00 0.00 N ATOM 124 CA GLU A 9 -6.631 -2.649 2.021 1.00 0.00 C ATOM 125 C GLU A 9 -6.957 -1.267 2.579 1.00 0.00 C ATOM 126 O GLU A 9 -6.373 -0.274 2.156 1.00 0.00 O ATOM 127 CB GLU A 9 -7.857 -3.381 1.452 1.00 0.00 C ATOM 128 CG GLU A 9 -8.643 -2.596 0.396 1.00 0.00 C ATOM 129 CD GLU A 9 -9.803 -3.422 -0.152 1.00 0.00 C ATOM 130 OE1 GLU A 9 -10.717 -3.718 0.649 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.754 -3.754 -1.357 1.00 0.00 O ATOM 0 H GLU A 9 -6.448 -4.381 3.152 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.941 -2.498 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.529 -4.323 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.528 -3.629 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.024 -1.673 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.978 -2.311 -0.419 1.00 0.00 H new ATOM 138 N ARG A 10 -7.842 -1.204 3.571 1.00 0.00 N ATOM 139 CA ARG A 10 -8.265 0.046 4.173 1.00 0.00 C ATOM 140 C ARG A 10 -7.093 0.941 4.597 1.00 0.00 C ATOM 141 O ARG A 10 -7.190 2.158 4.444 1.00 0.00 O ATOM 142 CB ARG A 10 -9.210 -0.267 5.335 1.00 0.00 C ATOM 143 CG ARG A 10 -10.587 -0.672 4.793 1.00 0.00 C ATOM 144 CD ARG A 10 -11.534 -1.084 5.921 1.00 0.00 C ATOM 145 NE ARG A 10 -12.816 -1.536 5.366 1.00 0.00 N ATOM 146 CZ ARG A 10 -13.962 -1.654 6.051 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.996 -1.405 7.365 1.00 0.00 N ATOM 148 NH2 ARG A 10 -15.076 -2.021 5.409 1.00 0.00 N ATOM 0 H ARG A 10 -8.285 -2.027 3.978 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.795 0.631 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.798 -1.072 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.306 0.605 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.020 0.160 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.474 -1.498 4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.083 -1.882 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.697 -0.243 6.594 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.836 -1.781 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.146 -1.123 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.872 -1.497 7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.049 -2.208 4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.953 -2.114 5.922 1.00 0.00 H new ATOM 162 N GLN A 11 -5.997 0.372 5.117 1.00 0.00 N ATOM 163 CA GLN A 11 -4.841 1.178 5.519 1.00 0.00 C ATOM 164 C GLN A 11 -3.848 1.464 4.378 1.00 0.00 C ATOM 165 O GLN A 11 -2.975 2.322 4.541 1.00 0.00 O ATOM 166 CB GLN A 11 -4.161 0.619 6.778 1.00 0.00 C ATOM 167 CG GLN A 11 -3.582 -0.783 6.582 1.00 0.00 C ATOM 168 CD GLN A 11 -2.606 -1.191 7.680 1.00 0.00 C ATOM 169 OE1 GLN A 11 -2.498 -0.543 8.716 1.00 0.00 O ATOM 170 NE2 GLN A 11 -1.876 -2.284 7.467 1.00 0.00 N ATOM 0 H GLN A 11 -5.888 -0.631 5.267 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.243 2.156 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.362 1.295 7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.885 0.595 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.399 -1.504 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.074 -0.827 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.983 -2.807 6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.210 -2.598 8.173 1.00 0.00 H new ATOM 179 N HIS A 12 -3.951 0.762 3.244 1.00 0.00 N ATOM 180 CA HIS A 12 -3.026 0.896 2.121 1.00 0.00 C ATOM 181 C HIS A 12 -3.766 0.915 0.786 1.00 0.00 C ATOM 182 O HIS A 12 -3.808 1.935 0.104 1.00 0.00 O ATOM 183 CB HIS A 12 -2.007 -0.255 2.121 1.00 0.00 C ATOM 184 CG HIS A 12 -1.111 -0.286 3.325 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.302 0.743 3.760 1.00 0.00 N ATOM 186 CD2 HIS A 12 -1.021 -1.309 4.221 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.261 0.358 4.918 1.00 0.00 C ATOM 188 NE2 HIS A 12 -0.162 -0.887 5.217 1.00 0.00 N ATOM 0 H HIS A 12 -4.689 0.077 3.082 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.504 1.845 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.545 -1.201 2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.390 -0.179 1.225 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.157 1.635 3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.523 -2.263 4.164 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.942 0.950 5.512 1.00 0.00 H new ATOM 197 N MET A 13 -4.278 -0.241 0.363 1.00 0.00 N ATOM 198 CA MET A 13 -4.775 -0.413 -0.989 1.00 0.00 C ATOM 199 C MET A 13 -6.044 0.405 -1.214 1.00 0.00 C ATOM 200 O MET A 13 -7.124 0.051 -0.750 1.00 0.00 O ATOM 201 CB MET A 13 -4.937 -1.901 -1.318 1.00 0.00 C ATOM 202 CG MET A 13 -5.030 -2.184 -2.824 1.00 0.00 C ATOM 203 SD MET A 13 -6.431 -3.213 -3.346 1.00 0.00 S ATOM 204 CE MET A 13 -7.724 -1.967 -3.516 1.00 0.00 C ATOM 0 H MET A 13 -4.357 -1.074 0.947 1.00 0.00 H new ATOM 0 HA MET A 13 -4.041 -0.022 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.092 -2.452 -0.904 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.835 -2.278 -0.828 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.086 -1.232 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.108 -2.670 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.660 -2.450 -3.798 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.855 -1.447 -2.567 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.439 -1.250 -4.286 1.00 0.00 H new ATOM 214 N ASP A 14 -5.892 1.491 -1.968 1.00 0.00 N ATOM 215 CA ASP A 14 -6.967 2.305 -2.490 1.00 0.00 C ATOM 216 C ASP A 14 -7.146 1.930 -3.966 1.00 0.00 C ATOM 217 O ASP A 14 -6.445 1.063 -4.484 1.00 0.00 O ATOM 218 CB ASP A 14 -6.568 3.779 -2.287 1.00 0.00 C ATOM 219 CG ASP A 14 -7.674 4.792 -2.572 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.839 4.359 -2.725 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.332 5.993 -2.629 1.00 0.00 O ATOM 0 H ASP A 14 -4.971 1.836 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.919 2.144 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.232 3.910 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.717 4.002 -2.931 1.00 0.00 H new ATOM 226 N SER A 15 -8.081 2.572 -4.662 1.00 0.00 N ATOM 227 CA SER A 15 -8.207 2.510 -6.108 1.00 0.00 C ATOM 228 C SER A 15 -9.151 3.638 -6.504 1.00 0.00 C ATOM 229 O SER A 15 -10.158 3.848 -5.832 1.00 0.00 O ATOM 230 CB SER A 15 -8.737 1.146 -6.568 1.00 0.00 C ATOM 231 OG SER A 15 -8.661 1.060 -7.979 1.00 0.00 O ATOM 0 H SER A 15 -8.787 3.163 -4.222 1.00 0.00 H new ATOM 0 HA SER A 15 -7.236 2.627 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.154 0.345 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.768 1.016 -6.240 1.00 0.00 H new ATOM 0 HG SER A 15 -8.998 0.188 -8.272 1.00 0.00 H new ATOM 237 N GLY A 16 -8.818 4.387 -7.554 1.00 0.00 N ATOM 238 CA GLY A 16 -9.627 5.518 -7.975 1.00 0.00 C ATOM 239 C GLY A 16 -9.069 6.112 -9.258 1.00 0.00 C ATOM 240 O GLY A 16 -8.036 6.780 -9.235 1.00 0.00 O ATOM 0 H GLY A 16 -7.990 4.226 -8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.658 5.200 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.643 6.275 -7.191 1.00 0.00 H new ATOM 244 N ASN A 17 -9.737 5.852 -10.383 1.00 0.00 N ATOM 245 CA ASN A 17 -9.373 6.466 -11.652 1.00 0.00 C ATOM 246 C ASN A 17 -9.528 7.985 -11.543 1.00 0.00 C ATOM 247 O ASN A 17 -10.339 8.471 -10.760 1.00 0.00 O ATOM 248 CB ASN A 17 -10.209 5.902 -12.810 1.00 0.00 C ATOM 249 CG ASN A 17 -11.596 6.539 -12.901 1.00 0.00 C ATOM 250 OD1 ASN A 17 -11.753 7.599 -13.500 1.00 0.00 O ATOM 251 ND2 ASN A 17 -12.610 5.902 -12.324 1.00 0.00 N ATOM 0 H ASN A 17 -10.534 5.218 -10.437 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.332 6.230 -11.871 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.678 6.062 -13.748 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.316 4.825 -12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.551 6.293 -12.372 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.447 5.023 -11.834 1.00 0.00 H new ATOM 258 N SER A 18 -8.752 8.725 -12.337 1.00 0.00 N ATOM 259 CA SER A 18 -8.771 10.182 -12.347 1.00 0.00 C ATOM 260 C SER A 18 -8.555 10.759 -10.934 1.00 0.00 C ATOM 261 O SER A 18 -9.404 11.490 -10.423 1.00 0.00 O ATOM 262 CB SER A 18 -10.079 10.663 -12.998 1.00 0.00 C ATOM 263 OG SER A 18 -9.919 11.972 -13.511 1.00 0.00 O ATOM 0 H SER A 18 -8.087 8.322 -12.997 1.00 0.00 H new ATOM 0 HA SER A 18 -7.939 10.555 -12.944 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.366 9.983 -13.800 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.885 10.648 -12.265 1.00 0.00 H new ATOM 0 HG SER A 18 -10.758 12.266 -13.924 1.00 0.00 H new ATOM 269 N PRO A 19 -7.426 10.443 -10.274 1.00 0.00 N ATOM 270 CA PRO A 19 -7.095 11.042 -8.993 1.00 0.00 C ATOM 271 C PRO A 19 -6.819 12.536 -9.190 1.00 0.00 C ATOM 272 O PRO A 19 -6.376 12.952 -10.260 1.00 0.00 O ATOM 273 CB PRO A 19 -5.858 10.288 -8.500 1.00 0.00 C ATOM 274 CG PRO A 19 -5.165 9.884 -9.802 1.00 0.00 C ATOM 275 CD PRO A 19 -6.338 9.598 -10.742 1.00 0.00 C ATOM 0 HA PRO A 19 -7.901 10.968 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.220 10.919 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.127 9.420 -7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.527 10.681 -10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.533 9.006 -9.667 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.078 9.829 -11.775 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.618 8.545 -10.711 1.00 0.00 H new ATOM 283 N SER A 20 -7.092 13.341 -8.161 1.00 0.00 N ATOM 284 CA SER A 20 -6.897 14.781 -8.210 1.00 0.00 C ATOM 285 C SER A 20 -5.472 15.126 -7.756 1.00 0.00 C ATOM 286 O SER A 20 -4.538 14.346 -7.939 1.00 0.00 O ATOM 287 CB SER A 20 -8.003 15.455 -7.383 1.00 0.00 C ATOM 288 OG SER A 20 -7.969 16.864 -7.512 1.00 0.00 O ATOM 0 H SER A 20 -7.456 13.005 -7.269 1.00 0.00 H new ATOM 0 HA SER A 20 -6.984 15.164 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.976 15.084 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.890 15.183 -6.334 1.00 0.00 H new ATOM 0 HG SER A 20 -8.687 17.259 -6.974 1.00 0.00 H new ATOM 294 N SER A 21 -5.312 16.304 -7.156 1.00 0.00 N ATOM 295 CA SER A 21 -4.054 16.899 -6.737 1.00 0.00 C ATOM 296 C SER A 21 -3.287 16.017 -5.746 1.00 0.00 C ATOM 297 O SER A 21 -3.348 16.254 -4.543 1.00 0.00 O ATOM 298 CB SER A 21 -4.364 18.278 -6.141 1.00 0.00 C ATOM 299 OG SER A 21 -5.199 18.989 -7.033 1.00 0.00 O ATOM 0 H SER A 21 -6.109 16.902 -6.938 1.00 0.00 H new ATOM 0 HA SER A 21 -3.398 16.999 -7.601 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.854 18.168 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.440 18.830 -5.970 1.00 0.00 H new ATOM 0 HG SER A 21 -5.403 19.871 -6.658 1.00 0.00 H new ATOM 305 N SER A 22 -2.554 15.034 -6.271 1.00 0.00 N ATOM 306 CA SER A 22 -1.782 13.990 -5.598 1.00 0.00 C ATOM 307 C SER A 22 -1.421 14.289 -4.135 1.00 0.00 C ATOM 308 O SER A 22 -1.879 13.592 -3.228 1.00 0.00 O ATOM 309 CB SER A 22 -0.528 13.729 -6.443 1.00 0.00 C ATOM 310 OG SER A 22 0.264 14.904 -6.510 1.00 0.00 O ATOM 0 H SER A 22 -2.479 14.941 -7.284 1.00 0.00 H new ATOM 0 HA SER A 22 -2.412 13.103 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.051 12.914 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.814 13.416 -7.447 1.00 0.00 H new ATOM 0 HG SER A 22 1.063 14.729 -7.049 1.00 0.00 H new ATOM 316 N SER A 23 -0.578 15.300 -3.896 1.00 0.00 N ATOM 317 CA SER A 23 -0.219 15.746 -2.549 1.00 0.00 C ATOM 318 C SER A 23 -1.474 15.833 -1.678 1.00 0.00 C ATOM 319 O SER A 23 -1.627 15.099 -0.703 1.00 0.00 O ATOM 320 CB SER A 23 0.519 17.092 -2.597 1.00 0.00 C ATOM 321 OG SER A 23 0.797 17.551 -1.284 1.00 0.00 O ATOM 0 H SER A 23 -0.124 15.834 -4.637 1.00 0.00 H new ATOM 0 HA SER A 23 0.459 15.017 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.449 16.984 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.087 17.828 -3.125 1.00 0.00 H new ATOM 0 HG SER A 23 1.269 18.409 -1.330 1.00 0.00 H new ATOM 327 N ASN A 24 -2.408 16.697 -2.073 1.00 0.00 N ATOM 328 CA ASN A 24 -3.607 16.964 -1.304 1.00 0.00 C ATOM 329 C ASN A 24 -4.527 15.752 -1.278 1.00 0.00 C ATOM 330 O ASN A 24 -5.193 15.529 -0.271 1.00 0.00 O ATOM 331 CB ASN A 24 -4.327 18.210 -1.835 1.00 0.00 C ATOM 332 CG ASN A 24 -5.178 18.925 -0.783 1.00 0.00 C ATOM 333 OD1 ASN A 24 -5.219 20.149 -0.761 1.00 0.00 O ATOM 334 ND2 ASN A 24 -5.858 18.207 0.107 1.00 0.00 N ATOM 0 H ASN A 24 -2.347 17.230 -2.940 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.312 17.166 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.586 18.908 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.965 17.922 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.421 18.675 0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.816 17.188 0.079 1.00 0.00 H new ATOM 341 N TYR A 25 -4.570 14.975 -2.360 1.00 0.00 N ATOM 342 CA TYR A 25 -5.314 13.725 -2.399 1.00 0.00 C ATOM 343 C TYR A 25 -4.875 12.842 -1.231 1.00 0.00 C ATOM 344 O TYR A 25 -5.700 12.368 -0.453 1.00 0.00 O ATOM 345 CB TYR A 25 -5.084 13.031 -3.749 1.00 0.00 C ATOM 346 CG TYR A 25 -6.082 11.938 -4.080 1.00 0.00 C ATOM 347 CD1 TYR A 25 -7.272 12.259 -4.759 1.00 0.00 C ATOM 348 CD2 TYR A 25 -5.794 10.595 -3.774 1.00 0.00 C ATOM 349 CE1 TYR A 25 -8.137 11.239 -5.190 1.00 0.00 C ATOM 350 CE2 TYR A 25 -6.671 9.577 -4.186 1.00 0.00 C ATOM 351 CZ TYR A 25 -7.833 9.896 -4.907 1.00 0.00 C ATOM 352 OH TYR A 25 -8.653 8.899 -5.345 1.00 0.00 O ATOM 0 H TYR A 25 -4.089 15.198 -3.231 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.382 13.917 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.114 13.783 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.082 12.603 -3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.521 13.292 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.899 10.347 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.034 11.486 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.451 8.547 -3.948 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.294 8.032 -5.063 1.00 0.00 H new ATOM 362 N CYS A 26 -3.562 12.655 -1.085 1.00 0.00 N ATOM 363 CA CYS A 26 -3.035 11.811 -0.018 1.00 0.00 C ATOM 364 C CYS A 26 -3.263 12.488 1.329 1.00 0.00 C ATOM 365 O CYS A 26 -3.792 11.867 2.244 1.00 0.00 O ATOM 366 CB CYS A 26 -1.554 11.513 -0.217 1.00 0.00 C ATOM 367 SG CYS A 26 -0.818 10.540 1.116 1.00 0.00 S ATOM 0 H CYS A 26 -2.852 13.073 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.566 10.859 -0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.424 10.979 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.013 12.455 -0.308 1.00 0.00 H new ATOM 372 N ASN A 27 -2.893 13.768 1.436 1.00 0.00 N ATOM 373 CA ASN A 27 -3.035 14.533 2.670 1.00 0.00 C ATOM 374 C ASN A 27 -4.471 14.451 3.208 1.00 0.00 C ATOM 375 O ASN A 27 -4.674 14.181 4.391 1.00 0.00 O ATOM 376 CB ASN A 27 -2.589 15.998 2.508 1.00 0.00 C ATOM 377 CG ASN A 27 -1.140 16.170 2.039 1.00 0.00 C ATOM 378 OD1 ASN A 27 -0.265 15.378 2.376 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.867 17.205 1.246 1.00 0.00 N ATOM 0 H ASN A 27 -2.487 14.300 0.666 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.367 14.078 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.250 16.490 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.713 16.510 3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.084 17.351 0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.609 17.852 0.978 1.00 0.00 H new ATOM 386 N LEU A 28 -5.479 14.671 2.358 1.00 0.00 N ATOM 387 CA LEU A 28 -6.870 14.605 2.794 1.00 0.00 C ATOM 388 C LEU A 28 -7.269 13.162 3.092 1.00 0.00 C ATOM 389 O LEU A 28 -7.872 12.905 4.131 1.00 0.00 O ATOM 390 CB LEU A 28 -7.824 15.357 1.845 1.00 0.00 C ATOM 391 CG LEU A 28 -8.237 14.641 0.546 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.489 13.770 0.737 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.563 15.672 -0.542 1.00 0.00 C ATOM 0 H LEU A 28 -5.355 14.895 1.371 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.966 15.145 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.731 15.599 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.354 16.303 1.574 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.396 14.009 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.742 13.285 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.292 13.011 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.322 14.396 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.854 15.156 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.383 16.307 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.684 16.287 -0.736 1.00 0.00 H new ATOM 405 N MET A 29 -6.926 12.211 2.212 1.00 0.00 N ATOM 406 CA MET A 29 -7.302 10.815 2.396 1.00 0.00 C ATOM 407 C MET A 29 -6.770 10.304 3.737 1.00 0.00 C ATOM 408 O MET A 29 -7.543 9.852 4.582 1.00 0.00 O ATOM 409 CB MET A 29 -6.819 9.997 1.187 1.00 0.00 C ATOM 410 CG MET A 29 -7.291 8.538 1.182 1.00 0.00 C ATOM 411 SD MET A 29 -6.382 7.406 2.262 1.00 0.00 S ATOM 412 CE MET A 29 -7.219 5.854 1.868 1.00 0.00 C ATOM 0 H MET A 29 -6.387 12.391 1.365 1.00 0.00 H new ATOM 0 HA MET A 29 -8.386 10.707 2.439 1.00 0.00 H new ATOM 0 HB2 MET A 29 -7.165 10.481 0.274 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.729 10.014 1.164 1.00 0.00 H new ATOM 0 HG2 MET A 29 -8.342 8.516 1.469 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.231 8.161 0.161 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.779 5.045 2.451 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.278 5.941 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 29 -7.105 5.639 0.806 1.00 0.00 H new ATOM 422 N MET A 30 -5.455 10.414 3.950 1.00 0.00 N ATOM 423 CA MET A 30 -4.814 9.979 5.178 1.00 0.00 C ATOM 424 C MET A 30 -5.408 10.717 6.386 1.00 0.00 C ATOM 425 O MET A 30 -5.599 10.107 7.433 1.00 0.00 O ATOM 426 CB MET A 30 -3.285 10.120 5.077 1.00 0.00 C ATOM 427 CG MET A 30 -2.829 11.539 5.407 1.00 0.00 C ATOM 428 SD MET A 30 -1.136 11.983 5.006 1.00 0.00 S ATOM 429 CE MET A 30 -1.141 13.613 5.789 1.00 0.00 C ATOM 0 H MET A 30 -4.809 10.810 3.267 1.00 0.00 H new ATOM 0 HA MET A 30 -5.015 8.918 5.329 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.808 9.416 5.759 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.960 9.858 4.070 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.490 12.233 4.888 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.974 11.698 6.475 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.443 14.269 5.269 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.144 14.038 5.739 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.840 13.517 6.832 1.00 0.00 H new ATOM 439 N CYS A 31 -5.692 12.021 6.258 1.00 0.00 N ATOM 440 CA CYS A 31 -6.252 12.812 7.349 1.00 0.00 C ATOM 441 C CYS A 31 -7.631 12.287 7.740 1.00 0.00 C ATOM 442 O CYS A 31 -7.855 11.967 8.905 1.00 0.00 O ATOM 443 CB CYS A 31 -6.321 14.293 6.979 1.00 0.00 C ATOM 444 SG CYS A 31 -7.133 15.176 8.331 1.00 0.00 S ATOM 0 H CYS A 31 -5.539 12.549 5.399 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.590 12.714 8.209 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.320 14.690 6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.875 14.427 6.050 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.203 16.442 8.042 1.00 0.00 H new ATOM 450 N CYS A 32 -8.538 12.136 6.771 1.00 0.00 N ATOM 451 CA CYS A 32 -9.855 11.548 6.988 1.00 0.00 C ATOM 452 C CYS A 32 -9.716 10.163 7.619 1.00 0.00 C ATOM 453 O CYS A 32 -10.429 9.824 8.560 1.00 0.00 O ATOM 454 CB CYS A 32 -10.612 11.451 5.659 1.00 0.00 C ATOM 455 SG CYS A 32 -11.271 13.069 5.193 1.00 0.00 S ATOM 0 H CYS A 32 -8.373 12.422 5.806 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.419 12.187 7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.945 11.084 4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.426 10.731 5.748 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.907 12.970 4.064 1.00 0.00 H new ATOM 461 N ARG A 33 -8.775 9.369 7.107 1.00 0.00 N ATOM 462 CA ARG A 33 -8.434 8.060 7.646 1.00 0.00 C ATOM 463 C ARG A 33 -7.786 8.123 9.039 1.00 0.00 C ATOM 464 O ARG A 33 -7.683 7.095 9.703 1.00 0.00 O ATOM 465 CB ARG A 33 -7.508 7.352 6.643 1.00 0.00 C ATOM 466 CG ARG A 33 -8.256 6.663 5.492 1.00 0.00 C ATOM 467 CD ARG A 33 -8.846 5.291 5.865 1.00 0.00 C ATOM 468 NE ARG A 33 -10.045 5.392 6.705 1.00 0.00 N ATOM 469 CZ ARG A 33 -11.260 5.769 6.282 1.00 0.00 C ATOM 470 NH1 ARG A 33 -11.473 6.046 4.992 1.00 0.00 N ATOM 471 NH2 ARG A 33 -12.260 5.872 7.163 1.00 0.00 N ATOM 0 H ARG A 33 -8.220 9.626 6.291 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.358 7.499 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.812 8.081 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.912 6.609 7.174 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.062 7.314 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.573 6.538 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.093 4.748 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.090 4.707 6.389 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.946 5.156 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.708 5.971 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.400 6.332 4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.095 5.664 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.188 6.158 6.850 1.00 0.00 H new ATOM 485 N LYS A 34 -7.310 9.298 9.467 1.00 0.00 N ATOM 486 CA LYS A 34 -6.482 9.497 10.650 1.00 0.00 C ATOM 487 C LYS A 34 -5.234 8.602 10.595 1.00 0.00 C ATOM 488 O LYS A 34 -4.681 8.222 11.625 1.00 0.00 O ATOM 489 CB LYS A 34 -7.327 9.313 11.923 1.00 0.00 C ATOM 490 CG LYS A 34 -6.725 10.038 13.135 1.00 0.00 C ATOM 491 CD LYS A 34 -7.627 9.852 14.361 1.00 0.00 C ATOM 492 CE LYS A 34 -7.040 10.584 15.573 1.00 0.00 C ATOM 493 NZ LYS A 34 -7.901 10.426 16.760 1.00 0.00 N ATOM 0 H LYS A 34 -7.503 10.170 8.974 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.109 10.521 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.335 9.686 11.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.416 8.250 12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.729 9.648 13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.612 11.099 12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.626 10.233 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.732 8.791 14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.044 10.196 15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.926 11.643 15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.479 10.932 17.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.843 10.818 16.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.989 9.416 16.993 1.00 0.00 H new ATOM 507 N MET A 35 -4.764 8.286 9.382 1.00 0.00 N ATOM 508 CA MET A 35 -3.721 7.292 9.159 1.00 0.00 C ATOM 509 C MET A 35 -2.389 7.718 9.753 1.00 0.00 C ATOM 510 O MET A 35 -1.521 6.888 9.999 1.00 0.00 O ATOM 511 CB MET A 35 -3.539 7.030 7.658 1.00 0.00 C ATOM 512 CG MET A 35 -3.161 5.565 7.410 1.00 0.00 C ATOM 513 SD MET A 35 -4.582 4.455 7.292 1.00 0.00 S ATOM 514 CE MET A 35 -5.093 4.842 5.602 1.00 0.00 C ATOM 0 H MET A 35 -5.104 8.720 8.524 1.00 0.00 H new ATOM 0 HA MET A 35 -4.044 6.379 9.660 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.460 7.269 7.127 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.763 7.684 7.260 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.583 5.500 6.488 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.512 5.225 8.217 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.000 4.288 5.360 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.288 5.911 5.517 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.300 4.561 4.909 1.00 0.00 H new ATOM 524 N THR A 36 -2.239 9.023 9.952 1.00 0.00 N ATOM 525 CA THR A 36 -1.178 9.644 10.706 1.00 0.00 C ATOM 526 C THR A 36 -0.968 8.826 11.997 1.00 0.00 C ATOM 527 O THR A 36 0.111 8.302 12.255 1.00 0.00 O ATOM 528 CB THR A 36 -1.640 11.101 10.902 1.00 0.00 C ATOM 529 OG1 THR A 36 -2.911 11.123 11.523 1.00 0.00 O ATOM 530 CG2 THR A 36 -1.789 11.805 9.533 1.00 0.00 C ATOM 0 H THR A 36 -2.894 9.704 9.568 1.00 0.00 H new ATOM 0 HA THR A 36 -0.200 9.661 10.226 1.00 0.00 H new ATOM 0 HB THR A 36 -0.896 11.609 11.516 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.990 11.927 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.116 12.833 9.686 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.829 11.803 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.527 11.276 8.930 1.00 0.00 H new ATOM 538 N GLN A 37 -2.042 8.644 12.769 1.00 0.00 N ATOM 539 CA GLN A 37 -2.151 7.726 13.909 1.00 0.00 C ATOM 540 C GLN A 37 -0.989 7.813 14.923 1.00 0.00 C ATOM 541 O GLN A 37 -0.782 6.905 15.726 1.00 0.00 O ATOM 542 CB GLN A 37 -2.399 6.309 13.351 1.00 0.00 C ATOM 543 CG GLN A 37 -2.711 5.185 14.352 1.00 0.00 C ATOM 544 CD GLN A 37 -3.741 5.572 15.412 1.00 0.00 C ATOM 545 OE1 GLN A 37 -4.936 5.355 15.245 1.00 0.00 O ATOM 546 NE2 GLN A 37 -3.284 6.134 16.525 1.00 0.00 N ATOM 0 H GLN A 37 -2.907 9.160 12.608 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.000 8.028 14.523 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.228 6.368 12.646 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.517 6.015 12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.075 4.315 13.805 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.788 4.886 14.848 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.284 6.303 16.638 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.933 6.396 17.267 1.00 0.00 H new ATOM 555 N GLY A 38 -0.263 8.927 14.942 1.00 0.00 N ATOM 556 CA GLY A 38 0.941 9.109 15.739 1.00 0.00 C ATOM 557 C GLY A 38 1.779 10.173 15.046 1.00 0.00 C ATOM 558 O GLY A 38 2.941 9.956 14.718 1.00 0.00 O ATOM 0 H GLY A 38 -0.504 9.749 14.388 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.689 9.418 16.753 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.495 8.174 15.819 1.00 0.00 H new ATOM 562 N LYS A 39 1.137 11.321 14.807 1.00 0.00 N ATOM 563 CA LYS A 39 1.625 12.368 13.933 1.00 0.00 C ATOM 564 C LYS A 39 1.824 11.818 12.514 1.00 0.00 C ATOM 565 O LYS A 39 1.258 10.788 12.167 1.00 0.00 O ATOM 566 CB LYS A 39 2.832 13.081 14.540 1.00 0.00 C ATOM 567 CG LYS A 39 2.520 13.655 15.928 1.00 0.00 C ATOM 568 CD LYS A 39 3.700 14.507 16.414 1.00 0.00 C ATOM 569 CE LYS A 39 3.434 15.125 17.791 1.00 0.00 C ATOM 570 NZ LYS A 39 2.330 16.101 17.755 1.00 0.00 N ATOM 0 H LYS A 39 0.238 11.544 15.234 1.00 0.00 H new ATOM 0 HA LYS A 39 0.878 13.156 13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.666 12.383 14.615 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.149 13.886 13.877 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.615 14.261 15.886 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.330 12.845 16.632 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.597 13.890 16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.896 15.300 15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.196 14.335 18.503 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.339 15.615 18.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.282 16.605 18.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.496 16.784 16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.432 15.604 17.587 1.00 0.00 H new ATOM 584 N CYS A 40 2.534 12.536 11.650 1.00 0.00 N ATOM 585 CA CYS A 40 2.672 12.158 10.246 1.00 0.00 C ATOM 586 C CYS A 40 3.462 10.850 10.136 1.00 0.00 C ATOM 587 O CYS A 40 4.576 10.773 10.650 1.00 0.00 O ATOM 588 CB CYS A 40 3.387 13.285 9.480 1.00 0.00 C ATOM 589 SG CYS A 40 2.798 14.973 9.792 1.00 0.00 S ATOM 0 H CYS A 40 3.028 13.392 11.900 1.00 0.00 H new ATOM 0 HA CYS A 40 1.685 12.005 9.810 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.449 13.243 9.723 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.296 13.083 8.413 1.00 0.00 H new ATOM 594 N LYS A 41 2.918 9.821 9.472 1.00 0.00 N ATOM 595 CA LYS A 41 3.659 8.583 9.256 1.00 0.00 C ATOM 596 C LYS A 41 4.799 8.826 8.265 1.00 0.00 C ATOM 597 O LYS A 41 4.668 9.678 7.389 1.00 0.00 O ATOM 598 CB LYS A 41 2.741 7.466 8.729 1.00 0.00 C ATOM 599 CG LYS A 41 2.012 6.757 9.875 1.00 0.00 C ATOM 600 CD LYS A 41 1.317 5.488 9.364 1.00 0.00 C ATOM 601 CE LYS A 41 0.708 4.680 10.516 1.00 0.00 C ATOM 602 NZ LYS A 41 1.739 4.088 11.388 1.00 0.00 N ATOM 0 H LYS A 41 1.976 9.826 9.081 1.00 0.00 H new ATOM 0 HA LYS A 41 4.068 8.263 10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.012 7.888 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.331 6.742 8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.722 6.499 10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.277 7.429 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.535 5.760 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.035 4.870 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.061 5.327 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.080 3.887 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.294 3.417 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.440 3.587 10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.211 4.841 11.928 1.00 0.00 H new ATOM 616 N PRO A 42 5.904 8.072 8.370 1.00 0.00 N ATOM 617 CA PRO A 42 7.043 8.228 7.485 1.00 0.00 C ATOM 618 C PRO A 42 6.663 7.923 6.033 1.00 0.00 C ATOM 619 O PRO A 42 6.869 8.764 5.158 1.00 0.00 O ATOM 620 CB PRO A 42 8.130 7.297 8.035 1.00 0.00 C ATOM 621 CG PRO A 42 7.362 6.253 8.847 1.00 0.00 C ATOM 622 CD PRO A 42 6.155 7.036 9.361 1.00 0.00 C ATOM 0 HA PRO A 42 7.407 9.255 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.700 6.833 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.841 7.840 8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.061 5.405 8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.963 5.856 9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.287 6.386 9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.359 7.472 10.339 1.00 0.00 H new ATOM 630 N VAL A 43 6.134 6.718 5.782 1.00 0.00 N ATOM 631 CA VAL A 43 5.853 6.186 4.455 1.00 0.00 C ATOM 632 C VAL A 43 4.564 5.363 4.508 1.00 0.00 C ATOM 633 O VAL A 43 4.319 4.676 5.500 1.00 0.00 O ATOM 634 CB VAL A 43 7.032 5.316 3.979 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.756 4.663 2.616 1.00 0.00 C ATOM 636 CG2 VAL A 43 8.335 6.122 3.887 1.00 0.00 C ATOM 0 H VAL A 43 5.884 6.069 6.528 1.00 0.00 H new ATOM 0 HA VAL A 43 5.724 7.005 3.748 1.00 0.00 H new ATOM 0 HB VAL A 43 7.145 4.534 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.615 4.060 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.874 4.027 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.584 5.438 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.142 5.472 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.207 6.941 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.583 6.526 4.868 1.00 0.00 H new ATOM 646 N ASN A 44 3.761 5.409 3.439 1.00 0.00 N ATOM 647 CA ASN A 44 2.639 4.512 3.204 1.00 0.00 C ATOM 648 C ASN A 44 2.541 4.246 1.699 1.00 0.00 C ATOM 649 O ASN A 44 2.279 5.163 0.917 1.00 0.00 O ATOM 650 CB ASN A 44 1.336 5.104 3.766 1.00 0.00 C ATOM 651 CG ASN A 44 0.150 4.144 3.620 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.101 3.328 2.706 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.799 4.180 4.551 1.00 0.00 N ATOM 0 H ASN A 44 3.883 6.095 2.694 1.00 0.00 H new ATOM 0 HA ASN A 44 2.799 3.568 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.475 5.348 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.111 6.037 3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.579 3.524 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.747 4.864 5.306 1.00 0.00 H new ATOM 660 N THR A 45 2.761 2.993 1.290 1.00 0.00 N ATOM 661 CA THR A 45 2.474 2.555 -0.065 1.00 0.00 C ATOM 662 C THR A 45 0.963 2.406 -0.220 1.00 0.00 C ATOM 663 O THR A 45 0.414 1.323 -0.011 1.00 0.00 O ATOM 664 CB THR A 45 3.187 1.233 -0.384 1.00 0.00 C ATOM 665 OG1 THR A 45 4.566 1.348 -0.098 1.00 0.00 O ATOM 666 CG2 THR A 45 2.995 0.907 -1.871 1.00 0.00 C ATOM 0 H THR A 45 3.141 2.262 1.891 1.00 0.00 H new ATOM 0 HA THR A 45 2.845 3.298 -0.770 1.00 0.00 H new ATOM 0 HB THR A 45 2.765 0.435 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.986 0.464 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.499 -0.031 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.931 0.812 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.419 1.708 -2.477 1.00 0.00 H new ATOM 674 N PHE A 46 0.291 3.476 -0.637 1.00 0.00 N ATOM 675 CA PHE A 46 -1.101 3.374 -1.021 1.00 0.00 C ATOM 676 C PHE A 46 -1.165 2.682 -2.383 1.00 0.00 C ATOM 677 O PHE A 46 -1.119 3.331 -3.426 1.00 0.00 O ATOM 678 CB PHE A 46 -1.768 4.751 -1.018 1.00 0.00 C ATOM 679 CG PHE A 46 -1.969 5.345 0.362 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.140 5.057 1.085 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.021 6.234 0.898 1.00 0.00 C ATOM 682 CE1 PHE A 46 -3.375 5.679 2.320 1.00 0.00 C ATOM 683 CE2 PHE A 46 -1.284 6.899 2.110 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.461 6.619 2.825 1.00 0.00 C ATOM 0 H PHE A 46 0.689 4.412 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.660 2.776 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.162 5.436 -1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.737 4.673 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.860 4.356 0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.090 6.407 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.262 5.434 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.581 7.625 2.491 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.662 7.124 3.758 1.00 0.00 H new ATOM 694 N VAL A 47 -1.228 1.348 -2.382 1.00 0.00 N ATOM 695 CA VAL A 47 -1.445 0.577 -3.600 1.00 0.00 C ATOM 696 C VAL A 47 -2.705 1.108 -4.300 1.00 0.00 C ATOM 697 O VAL A 47 -3.661 1.490 -3.629 1.00 0.00 O ATOM 698 CB VAL A 47 -1.520 -0.929 -3.272 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.827 -1.782 -4.512 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.208 -1.421 -2.645 1.00 0.00 C ATOM 0 H VAL A 47 -1.130 0.779 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.608 0.695 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.338 -1.045 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.869 -2.834 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.786 -1.481 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.043 -1.638 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.287 -2.485 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.613 -1.256 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.017 -0.872 -1.723 1.00 0.00 H new ATOM 710 N HIS A 48 -2.688 1.180 -5.635 1.00 0.00 N ATOM 711 CA HIS A 48 -3.744 1.791 -6.433 1.00 0.00 C ATOM 712 C HIS A 48 -3.995 0.931 -7.673 1.00 0.00 C ATOM 713 O HIS A 48 -3.498 1.232 -8.758 1.00 0.00 O ATOM 714 CB HIS A 48 -3.353 3.238 -6.762 1.00 0.00 C ATOM 715 CG HIS A 48 -4.360 3.977 -7.606 1.00 0.00 C ATOM 716 ND1 HIS A 48 -4.628 3.707 -8.932 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.103 5.061 -7.231 1.00 0.00 C ATOM 718 CE1 HIS A 48 -5.522 4.612 -9.364 1.00 0.00 C ATOM 719 NE2 HIS A 48 -5.819 5.446 -8.349 1.00 0.00 N ATOM 0 H HIS A 48 -1.923 0.807 -6.197 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.684 1.835 -5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.208 3.784 -5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.395 3.234 -7.281 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -4.220 2.954 -9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.126 5.524 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.935 4.662 -10.361 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.466 6.233 -8.397 1.00 0.00 H new ATOM 728 N GLU A 49 -4.773 -0.144 -7.520 1.00 0.00 N ATOM 729 CA GLU A 49 -5.255 -0.964 -8.623 1.00 0.00 C ATOM 730 C GLU A 49 -6.453 -1.769 -8.113 1.00 0.00 C ATOM 731 O GLU A 49 -6.743 -1.750 -6.917 1.00 0.00 O ATOM 732 CB GLU A 49 -4.123 -1.852 -9.177 1.00 0.00 C ATOM 733 CG GLU A 49 -4.423 -2.388 -10.588 1.00 0.00 C ATOM 734 CD GLU A 49 -3.165 -2.905 -11.279 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.466 -2.064 -11.889 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.926 -4.128 -11.185 1.00 0.00 O ATOM 0 H GLU A 49 -5.089 -0.471 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.579 -0.347 -9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.196 -1.279 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.962 -2.692 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.157 -3.191 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.869 -1.596 -11.190 1.00 0.00 H new ATOM 743 N SER A 50 -7.168 -2.447 -9.012 1.00 0.00 N ATOM 744 CA SER A 50 -8.373 -3.191 -8.703 1.00 0.00 C ATOM 745 C SER A 50 -8.080 -4.272 -7.660 1.00 0.00 C ATOM 746 O SER A 50 -7.124 -5.034 -7.808 1.00 0.00 O ATOM 747 CB SER A 50 -8.882 -3.813 -10.007 1.00 0.00 C ATOM 748 OG SER A 50 -8.593 -2.943 -11.088 1.00 0.00 O ATOM 0 H SER A 50 -6.912 -2.490 -9.998 1.00 0.00 H new ATOM 0 HA SER A 50 -9.132 -2.532 -8.282 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.410 -4.782 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.956 -3.988 -9.944 1.00 0.00 H new ATOM 0 HG SER A 50 -8.917 -3.340 -11.923 1.00 0.00 H new ATOM 754 N LEU A 51 -8.924 -4.389 -6.632 1.00 0.00 N ATOM 755 CA LEU A 51 -8.726 -5.392 -5.595 1.00 0.00 C ATOM 756 C LEU A 51 -8.589 -6.798 -6.187 1.00 0.00 C ATOM 757 O LEU A 51 -7.759 -7.586 -5.744 1.00 0.00 O ATOM 758 CB LEU A 51 -9.801 -5.283 -4.505 1.00 0.00 C ATOM 759 CG LEU A 51 -11.163 -5.936 -4.795 1.00 0.00 C ATOM 760 CD1 LEU A 51 -11.971 -5.972 -3.493 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.960 -5.167 -5.856 1.00 0.00 C ATOM 0 H LEU A 51 -9.747 -3.801 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.776 -5.191 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.402 -5.724 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.970 -4.226 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.984 -6.940 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.941 -6.432 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.431 -6.553 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.116 -4.956 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.914 -5.666 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.140 -4.149 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.394 -5.138 -6.787 1.00 0.00 H new ATOM 773 N ALA A 52 -9.367 -7.095 -7.233 1.00 0.00 N ATOM 774 CA ALA A 52 -9.283 -8.346 -7.967 1.00 0.00 C ATOM 775 C ALA A 52 -7.875 -8.575 -8.521 1.00 0.00 C ATOM 776 O ALA A 52 -7.354 -9.684 -8.435 1.00 0.00 O ATOM 777 CB ALA A 52 -10.322 -8.351 -9.090 1.00 0.00 C ATOM 0 H ALA A 52 -10.080 -6.460 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.495 -9.167 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.258 -9.290 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.320 -8.247 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.129 -7.519 -9.768 1.00 0.00 H new ATOM 783 N ASP A 53 -7.245 -7.532 -9.072 1.00 0.00 N ATOM 784 CA ASP A 53 -5.881 -7.624 -9.575 1.00 0.00 C ATOM 785 C ASP A 53 -4.942 -7.928 -8.410 1.00 0.00 C ATOM 786 O ASP A 53 -4.118 -8.833 -8.496 1.00 0.00 O ATOM 787 CB ASP A 53 -5.472 -6.335 -10.310 1.00 0.00 C ATOM 788 CG ASP A 53 -5.950 -6.331 -11.757 1.00 0.00 C ATOM 789 OD1 ASP A 53 -5.294 -7.015 -12.571 1.00 0.00 O ATOM 790 OD2 ASP A 53 -6.964 -5.649 -12.021 1.00 0.00 O ATOM 0 H ASP A 53 -7.667 -6.610 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.817 -8.433 -10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.886 -5.472 -9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.387 -6.232 -10.286 1.00 0.00 H new ATOM 795 N VAL A 54 -5.078 -7.193 -7.306 1.00 0.00 N ATOM 796 CA VAL A 54 -4.219 -7.385 -6.141 1.00 0.00 C ATOM 797 C VAL A 54 -4.368 -8.814 -5.584 1.00 0.00 C ATOM 798 O VAL A 54 -3.385 -9.457 -5.212 1.00 0.00 O ATOM 799 CB VAL A 54 -4.505 -6.278 -5.110 1.00 0.00 C ATOM 800 CG1 VAL A 54 -3.755 -6.506 -3.792 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.084 -4.919 -5.688 1.00 0.00 C ATOM 0 H VAL A 54 -5.777 -6.458 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.170 -7.292 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.574 -6.297 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.988 -5.700 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.061 -7.458 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.682 -6.522 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.286 -4.135 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.018 -4.935 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.648 -4.721 -6.599 1.00 0.00 H new ATOM 811 N LYS A 55 -5.590 -9.345 -5.540 1.00 0.00 N ATOM 812 CA LYS A 55 -5.824 -10.702 -5.094 1.00 0.00 C ATOM 813 C LYS A 55 -5.301 -11.723 -6.109 1.00 0.00 C ATOM 814 O LYS A 55 -4.716 -12.732 -5.719 1.00 0.00 O ATOM 815 CB LYS A 55 -7.317 -10.874 -4.810 1.00 0.00 C ATOM 816 CG LYS A 55 -7.728 -10.101 -3.551 1.00 0.00 C ATOM 817 CD LYS A 55 -9.234 -10.246 -3.305 1.00 0.00 C ATOM 818 CE LYS A 55 -9.639 -9.503 -2.028 1.00 0.00 C ATOM 819 NZ LYS A 55 -11.085 -9.629 -1.770 1.00 0.00 N ATOM 0 H LYS A 55 -6.435 -8.843 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.270 -10.888 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.896 -10.521 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.548 -11.932 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.174 -10.475 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.471 -9.048 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.788 -9.849 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.495 -11.301 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.080 -9.901 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.374 -8.450 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.328 -9.116 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.616 -9.227 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.332 -10.633 -1.660 1.00 0.00 H new ATOM 833 N ALA A 56 -5.470 -11.466 -7.409 1.00 0.00 N ATOM 834 CA ALA A 56 -4.861 -12.299 -8.435 1.00 0.00 C ATOM 835 C ALA A 56 -3.357 -12.390 -8.175 1.00 0.00 C ATOM 836 O ALA A 56 -2.831 -13.487 -8.023 1.00 0.00 O ATOM 837 CB ALA A 56 -5.175 -11.767 -9.836 1.00 0.00 C ATOM 0 H ALA A 56 -6.023 -10.688 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.281 -13.304 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.707 -12.409 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.254 -11.760 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.787 -10.753 -9.935 1.00 0.00 H new ATOM 843 N VAL A 57 -2.688 -11.238 -8.050 1.00 0.00 N ATOM 844 CA VAL A 57 -1.279 -11.129 -7.682 1.00 0.00 C ATOM 845 C VAL A 57 -0.950 -12.005 -6.469 1.00 0.00 C ATOM 846 O VAL A 57 -0.036 -12.827 -6.536 1.00 0.00 O ATOM 847 CB VAL A 57 -0.919 -9.649 -7.456 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.424 -9.479 -6.730 1.00 0.00 C ATOM 849 CG2 VAL A 57 -0.862 -8.909 -8.801 1.00 0.00 C ATOM 0 H VAL A 57 -3.129 -10.332 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.664 -11.504 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.699 -9.225 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.633 -8.418 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.375 -9.966 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.218 -9.932 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.607 -7.863 -8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.105 -9.368 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.834 -8.970 -9.291 1.00 0.00 H new ATOM 859 N CYS A 58 -1.702 -11.856 -5.371 1.00 0.00 N ATOM 860 CA CYS A 58 -1.507 -12.673 -4.173 1.00 0.00 C ATOM 861 C CYS A 58 -1.476 -14.167 -4.502 1.00 0.00 C ATOM 862 O CYS A 58 -0.747 -14.922 -3.868 1.00 0.00 O ATOM 863 CB CYS A 58 -2.605 -12.404 -3.141 1.00 0.00 C ATOM 864 SG CYS A 58 -2.542 -13.498 -1.700 1.00 0.00 S ATOM 0 H CYS A 58 -2.455 -11.172 -5.291 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.541 -12.391 -3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.528 -11.370 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.577 -12.510 -3.623 1.00 0.00 H new ATOM 869 N SER A 59 -2.250 -14.592 -5.504 1.00 0.00 N ATOM 870 CA SER A 59 -2.333 -15.987 -5.918 1.00 0.00 C ATOM 871 C SER A 59 -1.646 -16.217 -7.273 1.00 0.00 C ATOM 872 O SER A 59 -2.051 -17.109 -8.016 1.00 0.00 O ATOM 873 CB SER A 59 -3.815 -16.394 -5.933 1.00 0.00 C ATOM 874 OG SER A 59 -3.965 -17.785 -5.715 1.00 0.00 O ATOM 0 H SER A 59 -2.841 -13.968 -6.053 1.00 0.00 H new ATOM 0 HA SER A 59 -1.797 -16.619 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.354 -15.842 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.260 -16.123 -6.890 1.00 0.00 H new ATOM 0 HG SER A 59 -4.917 -18.017 -5.728 1.00 0.00 H new ATOM 880 N GLN A 60 -0.620 -15.423 -7.616 1.00 0.00 N ATOM 881 CA GLN A 60 -0.005 -15.474 -8.940 1.00 0.00 C ATOM 882 C GLN A 60 1.326 -16.223 -8.933 1.00 0.00 C ATOM 883 O GLN A 60 1.419 -17.322 -9.474 1.00 0.00 O ATOM 884 CB GLN A 60 0.141 -14.061 -9.524 1.00 0.00 C ATOM 885 CG GLN A 60 0.609 -14.069 -10.985 1.00 0.00 C ATOM 886 CD GLN A 60 -0.515 -14.459 -11.942 1.00 0.00 C ATOM 887 OE1 GLN A 60 -1.235 -13.600 -12.441 1.00 0.00 O ATOM 888 NE2 GLN A 60 -0.676 -15.751 -12.211 1.00 0.00 N ATOM 0 H GLN A 60 -0.201 -14.737 -6.988 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.672 -16.042 -9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.816 -13.544 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.852 -13.495 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.985 -13.081 -11.251 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.439 -14.767 -11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.061 -16.442 -11.781 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.414 -16.051 -12.848 1.00 0.00 H new ATOM 897 N LYS A 61 2.374 -15.584 -8.404 1.00 0.00 N ATOM 898 CA LYS A 61 3.754 -16.037 -8.522 1.00 0.00 C ATOM 899 C LYS A 61 4.414 -15.957 -7.154 1.00 0.00 C ATOM 900 O LYS A 61 4.885 -14.896 -6.740 1.00 0.00 O ATOM 901 CB LYS A 61 4.478 -15.161 -9.542 1.00 0.00 C ATOM 902 CG LYS A 61 5.947 -15.551 -9.759 1.00 0.00 C ATOM 903 CD LYS A 61 6.616 -14.550 -10.708 1.00 0.00 C ATOM 904 CE LYS A 61 8.109 -14.861 -10.854 1.00 0.00 C ATOM 905 NZ LYS A 61 8.799 -13.824 -11.640 1.00 0.00 N ATOM 0 H LYS A 61 2.279 -14.719 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 61 3.797 -17.070 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.952 -15.218 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.432 -14.123 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.473 -15.568 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.008 -16.557 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.134 -14.588 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.485 -13.537 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.565 -14.935 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.235 -15.830 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.784 -14.113 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.315 -13.700 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.786 -12.926 -11.116 1.00 0.00 H new ATOM 919 N LYS A 62 4.451 -17.103 -6.482 1.00 0.00 N ATOM 920 CA LYS A 62 5.036 -17.274 -5.169 1.00 0.00 C ATOM 921 C LYS A 62 6.554 -17.152 -5.286 1.00 0.00 C ATOM 922 O LYS A 62 7.150 -17.739 -6.188 1.00 0.00 O ATOM 923 CB LYS A 62 4.614 -18.646 -4.629 1.00 0.00 C ATOM 924 CG LYS A 62 4.903 -18.816 -3.133 1.00 0.00 C ATOM 925 CD LYS A 62 4.347 -20.172 -2.676 1.00 0.00 C ATOM 926 CE LYS A 62 4.530 -20.366 -1.169 1.00 0.00 C ATOM 927 NZ LYS A 62 4.049 -21.691 -0.740 1.00 0.00 N ATOM 0 H LYS A 62 4.058 -17.967 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 62 4.690 -16.508 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.548 -18.788 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.135 -19.425 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.976 -18.765 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.443 -18.008 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.289 -20.237 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.853 -20.975 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.583 -20.258 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.988 -19.588 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.186 -21.794 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.038 -21.783 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.584 -22.432 -1.237 1.00 0.00 H new ATOM 941 N VAL A 63 7.173 -16.403 -4.374 1.00 0.00 N ATOM 942 CA VAL A 63 8.615 -16.279 -4.258 1.00 0.00 C ATOM 943 C VAL A 63 8.953 -16.270 -2.768 1.00 0.00 C ATOM 944 O VAL A 63 8.107 -15.923 -1.946 1.00 0.00 O ATOM 945 CB VAL A 63 9.120 -15.009 -4.974 1.00 0.00 C ATOM 946 CG1 VAL A 63 8.877 -15.083 -6.488 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.481 -13.722 -4.434 1.00 0.00 C ATOM 0 H VAL A 63 6.667 -15.853 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 63 9.116 -17.117 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 63 10.190 -14.970 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.245 -14.172 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.404 -15.944 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.809 -15.186 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.876 -12.864 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.400 -13.769 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.712 -13.618 -3.374 1.00 0.00 H new ATOM 957 N THR A 64 10.174 -16.651 -2.391 1.00 0.00 N ATOM 958 CA THR A 64 10.611 -16.429 -1.019 1.00 0.00 C ATOM 959 C THR A 64 10.744 -14.915 -0.831 1.00 0.00 C ATOM 960 O THR A 64 11.194 -14.223 -1.746 1.00 0.00 O ATOM 961 CB THR A 64 11.902 -17.210 -0.728 1.00 0.00 C ATOM 962 OG1 THR A 64 12.162 -17.195 0.659 1.00 0.00 O ATOM 963 CG2 THR A 64 13.130 -16.679 -1.475 1.00 0.00 C ATOM 0 H THR A 64 10.858 -17.102 -2.999 1.00 0.00 H new ATOM 0 HA THR A 64 9.889 -16.806 -0.294 1.00 0.00 H new ATOM 0 HB THR A 64 11.731 -18.225 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.985 -17.695 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.001 -17.282 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.955 -16.735 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.309 -15.642 -1.190 1.00 0.00 H new ATOM 971 N CYS A 65 10.307 -14.372 0.307 1.00 0.00 N ATOM 972 CA CYS A 65 10.434 -12.946 0.550 1.00 0.00 C ATOM 973 C CYS A 65 11.900 -12.548 0.657 1.00 0.00 C ATOM 974 O CYS A 65 12.765 -13.400 0.880 1.00 0.00 O ATOM 975 CB CYS A 65 9.752 -12.590 1.871 1.00 0.00 C ATOM 976 SG CYS A 65 7.944 -12.602 1.881 1.00 0.00 S ATOM 0 H CYS A 65 9.868 -14.897 1.063 1.00 0.00 H new ATOM 0 HA CYS A 65 9.969 -12.417 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.101 -13.287 2.633 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.087 -11.597 2.170 1.00 0.00 H new ATOM 981 N LYS A 66 12.158 -11.234 0.611 1.00 0.00 N ATOM 982 CA LYS A 66 13.436 -10.631 0.980 1.00 0.00 C ATOM 983 C LYS A 66 13.554 -10.690 2.510 1.00 0.00 C ATOM 984 O LYS A 66 13.565 -9.682 3.210 1.00 0.00 O ATOM 985 CB LYS A 66 13.505 -9.199 0.440 1.00 0.00 C ATOM 986 CG LYS A 66 13.415 -9.180 -1.092 1.00 0.00 C ATOM 987 CD LYS A 66 13.591 -7.751 -1.617 1.00 0.00 C ATOM 988 CE LYS A 66 13.511 -7.735 -3.149 1.00 0.00 C ATOM 989 NZ LYS A 66 13.701 -6.376 -3.683 1.00 0.00 N ATOM 0 H LYS A 66 11.465 -10.549 0.309 1.00 0.00 H new ATOM 0 HA LYS A 66 14.277 -11.171 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.692 -8.608 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.437 -8.732 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.182 -9.828 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.451 -9.576 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.819 -7.105 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.552 -7.352 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.271 -8.399 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.543 -8.121 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.641 -6.399 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.961 -5.749 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.635 -6.018 -3.398 1.00 0.00 H new ATOM 1003 N ASP A 67 13.578 -11.928 2.993 1.00 0.00 N ATOM 1004 CA ASP A 67 13.461 -12.391 4.364 1.00 0.00 C ATOM 1005 C ASP A 67 13.957 -13.835 4.473 1.00 0.00 C ATOM 1006 O ASP A 67 14.517 -14.211 5.497 1.00 0.00 O ATOM 1007 CB ASP A 67 12.010 -12.280 4.852 1.00 0.00 C ATOM 1008 CG ASP A 67 11.911 -11.743 6.277 1.00 0.00 C ATOM 1009 OD1 ASP A 67 12.075 -10.516 6.441 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.657 -12.571 7.179 1.00 0.00 O ATOM 0 H ASP A 67 13.693 -12.717 2.357 1.00 0.00 H new ATOM 0 HA ASP A 67 14.080 -11.759 5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.454 -11.625 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.538 -13.261 4.804 1.00 0.00 H new ATOM 1015 N GLY A 68 13.737 -14.653 3.431 1.00 0.00 N ATOM 1016 CA GLY A 68 14.148 -16.051 3.443 1.00 0.00 C ATOM 1017 C GLY A 68 13.417 -16.825 4.539 1.00 0.00 C ATOM 1018 O GLY A 68 14.006 -17.666 5.214 1.00 0.00 O ATOM 0 H GLY A 68 13.274 -14.361 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.941 -16.503 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.224 -16.116 3.602 1.00 0.00 H new ATOM 1022 N GLN A 69 12.132 -16.513 4.724 1.00 0.00 N ATOM 1023 CA GLN A 69 11.330 -16.980 5.840 1.00 0.00 C ATOM 1024 C GLN A 69 9.863 -16.961 5.418 1.00 0.00 C ATOM 1025 O GLN A 69 9.231 -18.003 5.269 1.00 0.00 O ATOM 1026 CB GLN A 69 11.607 -16.053 7.031 1.00 0.00 C ATOM 1027 CG GLN A 69 10.784 -16.408 8.275 1.00 0.00 C ATOM 1028 CD GLN A 69 11.205 -15.610 9.509 1.00 0.00 C ATOM 1029 OE1 GLN A 69 11.271 -16.158 10.604 1.00 0.00 O ATOM 1030 NE2 GLN A 69 11.488 -14.317 9.368 1.00 0.00 N ATOM 0 H GLN A 69 11.614 -15.913 4.082 1.00 0.00 H new ATOM 0 HA GLN A 69 11.578 -18.000 6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.667 -16.098 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.391 -15.025 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.729 -16.225 8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.889 -17.473 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.427 -13.879 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.766 -13.764 10.179 1.00 0.00 H new ATOM 1039 N THR A 70 9.323 -15.761 5.212 1.00 0.00 N ATOM 1040 CA THR A 70 7.995 -15.547 4.710 1.00 0.00 C ATOM 1041 C THR A 70 7.970 -15.852 3.210 1.00 0.00 C ATOM 1042 O THR A 70 8.973 -15.732 2.500 1.00 0.00 O ATOM 1043 CB THR A 70 7.608 -14.100 5.034 1.00 0.00 C ATOM 1044 OG1 THR A 70 8.750 -13.272 4.895 1.00 0.00 O ATOM 1045 CG2 THR A 70 7.124 -13.985 6.482 1.00 0.00 C ATOM 0 H THR A 70 9.825 -14.893 5.400 1.00 0.00 H new ATOM 0 HA THR A 70 7.265 -16.210 5.176 1.00 0.00 H new ATOM 0 HB THR A 70 6.814 -13.795 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.508 -12.344 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.854 -12.951 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.253 -14.625 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.920 -14.298 7.158 1.00 0.00 H new ATOM 1053 N ASN A 71 6.787 -16.253 2.754 1.00 0.00 N ATOM 1054 CA ASN A 71 6.466 -16.509 1.364 1.00 0.00 C ATOM 1055 C ASN A 71 5.779 -15.262 0.825 1.00 0.00 C ATOM 1056 O ASN A 71 4.766 -14.814 1.360 1.00 0.00 O ATOM 1057 CB ASN A 71 5.603 -17.768 1.201 1.00 0.00 C ATOM 1058 CG ASN A 71 4.229 -17.673 1.861 1.00 0.00 C ATOM 1059 OD1 ASN A 71 3.216 -17.504 1.189 1.00 0.00 O ATOM 1060 ND2 ASN A 71 4.168 -17.827 3.181 1.00 0.00 N ATOM 0 H ASN A 71 5.994 -16.414 3.376 1.00 0.00 H new ATOM 0 HA ASN A 71 7.373 -16.710 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.470 -17.969 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.138 -18.619 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.265 -17.806 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.024 -17.966 3.718 1.00 0.00 H new ATOM 1067 N CYS A 72 6.392 -14.676 -0.193 1.00 0.00 N ATOM 1068 CA CYS A 72 5.942 -13.481 -0.882 1.00 0.00 C ATOM 1069 C CYS A 72 5.326 -13.877 -2.215 1.00 0.00 C ATOM 1070 O CYS A 72 5.424 -15.030 -2.635 1.00 0.00 O ATOM 1071 CB CYS A 72 7.122 -12.523 -1.082 1.00 0.00 C ATOM 1072 SG CYS A 72 7.409 -11.381 0.288 1.00 0.00 S ATOM 0 H CYS A 72 7.262 -15.043 -0.579 1.00 0.00 H new ATOM 0 HA CYS A 72 5.187 -12.967 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.026 -13.111 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.952 -11.944 -1.990 1.00 0.00 H new ATOM 1077 N TYR A 73 4.690 -12.913 -2.879 1.00 0.00 N ATOM 1078 CA TYR A 73 4.104 -13.071 -4.193 1.00 0.00 C ATOM 1079 C TYR A 73 4.426 -11.826 -5.012 1.00 0.00 C ATOM 1080 O TYR A 73 4.101 -10.712 -4.590 1.00 0.00 O ATOM 1081 CB TYR A 73 2.592 -13.298 -4.086 1.00 0.00 C ATOM 1082 CG TYR A 73 2.223 -14.525 -3.279 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.153 -14.442 -1.877 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.050 -15.767 -3.916 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.979 -15.605 -1.111 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.808 -16.920 -3.152 1.00 0.00 C ATOM 1087 CZ TYR A 73 1.804 -16.844 -1.749 1.00 0.00 C ATOM 1088 OH TYR A 73 1.710 -17.987 -1.015 1.00 0.00 O ATOM 0 H TYR A 73 4.569 -11.974 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 73 4.521 -13.947 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.132 -12.421 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.175 -13.393 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.233 -13.482 -1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.103 -15.834 -4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.980 -15.547 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.625 -17.865 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 73 2.135 -17.851 -0.142 1.00 0.00 H new ATOM 1098 N GLN A 74 5.107 -12.009 -6.147 1.00 0.00 N ATOM 1099 CA GLN A 74 5.358 -10.937 -7.095 1.00 0.00 C ATOM 1100 C GLN A 74 4.099 -10.618 -7.910 1.00 0.00 C ATOM 1101 O GLN A 74 3.291 -11.500 -8.199 1.00 0.00 O ATOM 1102 CB GLN A 74 6.541 -11.309 -8.006 1.00 0.00 C ATOM 1103 CG GLN A 74 6.489 -10.562 -9.344 1.00 0.00 C ATOM 1104 CD GLN A 74 7.673 -10.711 -10.279 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.627 -11.435 -10.017 1.00 0.00 O ATOM 1106 NE2 GLN A 74 7.579 -10.017 -11.409 1.00 0.00 N ATOM 0 H GLN A 74 5.497 -12.908 -6.428 1.00 0.00 H new ATOM 0 HA GLN A 74 5.621 -10.034 -6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.477 -11.078 -7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.534 -12.383 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.597 -10.890 -9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.361 -9.501 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.764 -9.428 -11.580 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.322 -10.073 -12.105 1.00 0.00 H new ATOM 1115 N SER A 75 4.002 -9.368 -8.365 1.00 0.00 N ATOM 1116 CA SER A 75 3.063 -8.962 -9.402 1.00 0.00 C ATOM 1117 C SER A 75 3.608 -9.334 -10.784 1.00 0.00 C ATOM 1118 O SER A 75 4.746 -9.016 -11.131 1.00 0.00 O ATOM 1119 CB SER A 75 2.746 -7.466 -9.295 1.00 0.00 C ATOM 1120 OG SER A 75 3.886 -6.661 -9.524 1.00 0.00 O ATOM 0 H SER A 75 4.581 -8.604 -8.018 1.00 0.00 H new ATOM 0 HA SER A 75 2.125 -9.499 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.970 -7.208 -10.016 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.345 -7.251 -8.305 1.00 0.00 H new ATOM 0 HG SER A 75 3.794 -6.202 -10.385 1.00 0.00 H new ATOM 1126 N LYS A 76 2.789 -10.017 -11.587 1.00 0.00 N ATOM 1127 CA LYS A 76 3.086 -10.223 -12.996 1.00 0.00 C ATOM 1128 C LYS A 76 3.200 -8.881 -13.710 1.00 0.00 C ATOM 1129 O LYS A 76 4.107 -8.659 -14.514 1.00 0.00 O ATOM 1130 CB LYS A 76 2.050 -11.164 -13.637 1.00 0.00 C ATOM 1131 CG LYS A 76 0.609 -10.643 -13.821 1.00 0.00 C ATOM 1132 CD LYS A 76 -0.168 -10.336 -12.527 1.00 0.00 C ATOM 1133 CE LYS A 76 -1.643 -10.012 -12.799 1.00 0.00 C ATOM 1134 NZ LYS A 76 -2.361 -11.152 -13.398 1.00 0.00 N ATOM 0 H LYS A 76 1.912 -10.436 -11.278 1.00 0.00 H new ATOM 0 HA LYS A 76 4.052 -10.717 -13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.427 -11.456 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.002 -12.069 -13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.646 -9.735 -14.423 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.047 -11.382 -14.392 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.104 -11.192 -11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.299 -9.494 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.129 -9.728 -11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.708 -9.153 -13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.364 -11.111 -13.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.280 -11.108 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.946 -12.042 -13.056 1.00 0.00 H new ATOM 1148 N SER A 77 2.272 -7.981 -13.397 1.00 0.00 N ATOM 1149 CA SER A 77 2.155 -6.686 -14.006 1.00 0.00 C ATOM 1150 C SER A 77 2.833 -5.650 -13.122 1.00 0.00 C ATOM 1151 O SER A 77 2.916 -5.805 -11.904 1.00 0.00 O ATOM 1152 CB SER A 77 0.663 -6.366 -14.156 1.00 0.00 C ATOM 1153 OG SER A 77 -0.045 -6.887 -13.038 1.00 0.00 O ATOM 0 H SER A 77 1.562 -8.152 -12.685 1.00 0.00 H new ATOM 0 HA SER A 77 2.636 -6.673 -14.984 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.516 -5.288 -14.224 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.278 -6.799 -15.079 1.00 0.00 H new ATOM 0 HG SER A 77 -0.999 -6.682 -13.131 1.00 0.00 H new ATOM 1159 N THR A 78 3.305 -4.577 -13.739 1.00 0.00 N ATOM 1160 CA THR A 78 3.740 -3.397 -13.024 1.00 0.00 C ATOM 1161 C THR A 78 2.466 -2.648 -12.618 1.00 0.00 C ATOM 1162 O THR A 78 1.479 -2.675 -13.358 1.00 0.00 O ATOM 1163 CB THR A 78 4.606 -2.573 -13.989 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.917 -2.408 -15.213 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.918 -3.294 -14.315 1.00 0.00 C ATOM 0 H THR A 78 3.395 -4.505 -14.752 1.00 0.00 H new ATOM 0 HA THR A 78 4.330 -3.614 -12.134 1.00 0.00 H new ATOM 0 HB THR A 78 4.815 -1.618 -13.506 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.467 -1.881 -15.830 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.508 -2.685 -15.000 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.482 -3.456 -13.396 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.699 -4.255 -14.781 1.00 0.00 H new ATOM 1173 N MET A 79 2.458 -2.012 -11.443 1.00 0.00 N ATOM 1174 CA MET A 79 1.256 -1.364 -10.932 1.00 0.00 C ATOM 1175 C MET A 79 1.584 -0.052 -10.232 1.00 0.00 C ATOM 1176 O MET A 79 2.557 0.030 -9.486 1.00 0.00 O ATOM 1177 CB MET A 79 0.377 -2.331 -10.123 1.00 0.00 C ATOM 1178 CG MET A 79 1.117 -3.165 -9.070 1.00 0.00 C ATOM 1179 SD MET A 79 0.337 -4.761 -8.704 1.00 0.00 S ATOM 1180 CE MET A 79 -1.265 -4.221 -8.083 1.00 0.00 C ATOM 0 H MET A 79 3.271 -1.934 -10.832 1.00 0.00 H new ATOM 0 HA MET A 79 0.632 -1.081 -11.780 1.00 0.00 H new ATOM 0 HB2 MET A 79 -0.403 -1.756 -9.624 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.121 -3.010 -10.816 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.136 -3.342 -9.413 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.187 -2.587 -8.148 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.908 -5.088 -7.932 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.131 -3.699 -7.136 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.727 -3.548 -8.805 1.00 0.00 H new ATOM 1190 N ARG A 80 0.794 0.980 -10.550 1.00 0.00 N ATOM 1191 CA ARG A 80 0.999 2.368 -10.175 1.00 0.00 C ATOM 1192 C ARG A 80 0.759 2.575 -8.681 1.00 0.00 C ATOM 1193 O ARG A 80 -0.230 3.185 -8.288 1.00 0.00 O ATOM 1194 CB ARG A 80 0.111 3.272 -11.052 1.00 0.00 C ATOM 1195 CG ARG A 80 -1.389 2.930 -11.023 1.00 0.00 C ATOM 1196 CD ARG A 80 -1.936 2.434 -12.371 1.00 0.00 C ATOM 1197 NE ARG A 80 -1.633 1.015 -12.624 1.00 0.00 N ATOM 1198 CZ ARG A 80 -0.785 0.515 -13.538 1.00 0.00 C ATOM 1199 NH1 ARG A 80 0.057 1.300 -14.218 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -0.779 -0.807 -13.740 1.00 0.00 N ATOM 0 H ARG A 80 -0.051 0.853 -11.107 1.00 0.00 H new ATOM 0 HA ARG A 80 2.038 2.645 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.240 4.305 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.463 3.213 -12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.564 2.165 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.948 3.814 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.016 2.580 -12.395 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.515 3.039 -13.174 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.122 0.336 -12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.066 2.306 -14.048 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.690 0.893 -14.906 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.408 -1.407 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.146 -1.215 -14.428 1.00 0.00 H new ATOM 1214 N ILE A 81 1.663 2.086 -7.835 1.00 0.00 N ATOM 1215 CA ILE A 81 1.490 2.182 -6.401 1.00 0.00 C ATOM 1216 C ILE A 81 1.844 3.596 -5.940 1.00 0.00 C ATOM 1217 O ILE A 81 2.854 4.160 -6.366 1.00 0.00 O ATOM 1218 CB ILE A 81 2.303 1.093 -5.686 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.798 1.091 -6.056 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.683 -0.278 -5.987 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.671 0.300 -5.076 1.00 0.00 C ATOM 0 H ILE A 81 2.522 1.620 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 81 0.448 2.005 -6.136 1.00 0.00 H new ATOM 0 HB ILE A 81 2.259 1.312 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.916 0.671 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.155 2.120 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.256 -1.055 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.653 -0.298 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.699 -0.456 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.711 0.342 -5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.583 0.733 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.341 -0.738 -5.051 1.00 0.00 H new ATOM 1233 N THR A 82 0.986 4.176 -5.098 1.00 0.00 N ATOM 1234 CA THR A 82 1.109 5.546 -4.636 1.00 0.00 C ATOM 1235 C THR A 82 1.934 5.549 -3.353 1.00 0.00 C ATOM 1236 O THR A 82 1.404 5.460 -2.245 1.00 0.00 O ATOM 1237 CB THR A 82 -0.278 6.188 -4.516 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.962 6.031 -5.744 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.170 7.681 -4.208 1.00 0.00 C ATOM 0 H THR A 82 0.174 3.692 -4.716 1.00 0.00 H new ATOM 0 HA THR A 82 1.644 6.170 -5.352 1.00 0.00 H new ATOM 0 HB THR A 82 -0.815 5.700 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.851 6.437 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.169 8.109 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.361 7.821 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.376 8.179 -5.009 1.00 0.00 H new ATOM 1247 N ASP A 83 3.251 5.643 -3.526 1.00 0.00 N ATOM 1248 CA ASP A 83 4.215 5.784 -2.461 1.00 0.00 C ATOM 1249 C ASP A 83 4.044 7.177 -1.874 1.00 0.00 C ATOM 1250 O ASP A 83 4.603 8.139 -2.403 1.00 0.00 O ATOM 1251 CB ASP A 83 5.644 5.577 -2.995 1.00 0.00 C ATOM 1252 CG ASP A 83 5.935 4.169 -3.510 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.003 3.339 -3.526 1.00 0.00 O ATOM 1254 OD2 ASP A 83 7.107 3.950 -3.888 1.00 0.00 O ATOM 0 H ASP A 83 3.682 5.621 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 83 4.052 5.030 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.823 6.288 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.352 5.812 -2.200 1.00 0.00 H new ATOM 1259 N CYS A 84 3.253 7.284 -0.805 1.00 0.00 N ATOM 1260 CA CYS A 84 3.057 8.537 -0.099 1.00 0.00 C ATOM 1261 C CYS A 84 4.025 8.630 1.079 1.00 0.00 C ATOM 1262 O CYS A 84 4.039 7.713 1.899 1.00 0.00 O ATOM 1263 CB CYS A 84 1.595 8.704 0.319 1.00 0.00 C ATOM 1264 SG CYS A 84 1.187 10.440 0.565 1.00 0.00 S ATOM 0 H CYS A 84 2.733 6.500 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 84 3.281 9.368 -0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.944 8.279 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.411 8.150 1.239 1.00 0.00 H new ATOM 1269 N ARG A 85 4.862 9.674 1.157 1.00 0.00 N ATOM 1270 CA ARG A 85 5.873 9.802 2.215 1.00 0.00 C ATOM 1271 C ARG A 85 5.744 11.163 2.877 1.00 0.00 C ATOM 1272 O ARG A 85 5.429 12.109 2.175 1.00 0.00 O ATOM 1273 CB ARG A 85 7.291 9.669 1.639 1.00 0.00 C ATOM 1274 CG ARG A 85 7.510 8.359 0.872 1.00 0.00 C ATOM 1275 CD ARG A 85 7.385 8.532 -0.645 1.00 0.00 C ATOM 1276 NE ARG A 85 8.523 9.288 -1.190 1.00 0.00 N ATOM 1277 CZ ARG A 85 9.041 9.135 -2.418 1.00 0.00 C ATOM 1278 NH1 ARG A 85 8.486 8.287 -3.292 1.00 0.00 N ATOM 1279 NH2 ARG A 85 10.122 9.837 -2.767 1.00 0.00 N ATOM 0 H ARG A 85 4.858 10.448 0.493 1.00 0.00 H new ATOM 0 HA ARG A 85 5.708 9.006 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.486 10.510 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.014 9.732 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.499 7.966 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.784 7.620 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.333 7.553 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.455 9.050 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 85 8.954 9.986 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.661 7.749 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.888 8.179 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.547 10.483 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.523 9.727 -3.699 1.00 0.00 H new ATOM 1293 N GLU A 86 5.982 11.314 4.181 1.00 0.00 N ATOM 1294 CA GLU A 86 5.947 12.648 4.778 1.00 0.00 C ATOM 1295 C GLU A 86 7.139 13.477 4.275 1.00 0.00 C ATOM 1296 O GLU A 86 8.280 13.128 4.573 1.00 0.00 O ATOM 1297 CB GLU A 86 5.811 12.573 6.306 1.00 0.00 C ATOM 1298 CG GLU A 86 7.028 12.010 7.062 1.00 0.00 C ATOM 1299 CD GLU A 86 8.092 13.044 7.440 1.00 0.00 C ATOM 1300 OE1 GLU A 86 7.816 14.257 7.300 1.00 0.00 O ATOM 1301 OE2 GLU A 86 9.169 12.594 7.889 1.00 0.00 O ATOM 0 H GLU A 86 6.195 10.554 4.827 1.00 0.00 H new ATOM 0 HA GLU A 86 5.052 13.179 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.605 13.575 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.943 11.958 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.678 11.523 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.494 11.240 6.447 1.00 0.00 H new ATOM 1308 N THR A 87 6.902 14.546 3.501 1.00 0.00 N ATOM 1309 CA THR A 87 7.974 15.369 2.965 1.00 0.00 C ATOM 1310 C THR A 87 7.535 16.833 2.931 1.00 0.00 C ATOM 1311 O THR A 87 6.348 17.135 3.003 1.00 0.00 O ATOM 1312 CB THR A 87 8.316 14.877 1.552 1.00 0.00 C ATOM 1313 OG1 THR A 87 8.215 13.468 1.465 1.00 0.00 O ATOM 1314 CG2 THR A 87 9.728 15.262 1.129 1.00 0.00 C ATOM 0 H THR A 87 5.967 14.855 3.236 1.00 0.00 H new ATOM 0 HA THR A 87 8.858 15.291 3.598 1.00 0.00 H new ATOM 0 HB THR A 87 7.596 15.358 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.725 13.151 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.920 14.891 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.828 16.347 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.447 14.824 1.821 1.00 0.00 H new ATOM 1322 N GLY A 88 8.495 17.749 2.790 1.00 0.00 N ATOM 1323 CA GLY A 88 8.223 19.176 2.718 1.00 0.00 C ATOM 1324 C GLY A 88 7.815 19.710 4.088 1.00 0.00 C ATOM 1325 O GLY A 88 6.781 20.357 4.228 1.00 0.00 O ATOM 0 H GLY A 88 9.486 17.515 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.108 19.704 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.429 19.365 1.996 1.00 0.00 H new ATOM 1329 N SER A 89 8.649 19.439 5.097 1.00 0.00 N ATOM 1330 CA SER A 89 8.479 19.946 6.452 1.00 0.00 C ATOM 1331 C SER A 89 7.107 19.584 7.026 1.00 0.00 C ATOM 1332 O SER A 89 6.423 20.434 7.592 1.00 0.00 O ATOM 1333 CB SER A 89 8.740 21.456 6.478 1.00 0.00 C ATOM 1334 OG SER A 89 10.002 21.724 5.891 1.00 0.00 O ATOM 0 H SER A 89 9.474 18.850 4.987 1.00 0.00 H new ATOM 0 HA SER A 89 9.212 19.464 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.955 21.982 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.718 21.823 7.504 1.00 0.00 H new ATOM 0 HG SER A 89 10.171 22.689 5.905 1.00 0.00 H new ATOM 1340 N SER A 90 6.727 18.311 6.893 1.00 0.00 N ATOM 1341 CA SER A 90 5.513 17.770 7.487 1.00 0.00 C ATOM 1342 C SER A 90 5.539 17.992 9.006 1.00 0.00 C ATOM 1343 O SER A 90 6.522 17.631 9.650 1.00 0.00 O ATOM 1344 CB SER A 90 5.429 16.273 7.152 1.00 0.00 C ATOM 1345 OG SER A 90 4.106 15.877 6.866 1.00 0.00 O ATOM 0 H SER A 90 7.263 17.624 6.363 1.00 0.00 H new ATOM 0 HA SER A 90 4.634 18.276 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.067 16.055 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.810 15.690 7.991 1.00 0.00 H new ATOM 0 HG SER A 90 4.063 15.514 5.957 1.00 0.00 H new ATOM 1351 N LYS A 91 4.486 18.583 9.579 1.00 0.00 N ATOM 1352 CA LYS A 91 4.336 18.748 11.023 1.00 0.00 C ATOM 1353 C LYS A 91 2.905 18.368 11.399 1.00 0.00 C ATOM 1354 O LYS A 91 2.169 17.872 10.554 1.00 0.00 O ATOM 1355 CB LYS A 91 4.687 20.188 11.425 1.00 0.00 C ATOM 1356 CG LYS A 91 6.161 20.510 11.152 1.00 0.00 C ATOM 1357 CD LYS A 91 6.513 21.903 11.691 1.00 0.00 C ATOM 1358 CE LYS A 91 7.944 22.307 11.313 1.00 0.00 C ATOM 1359 NZ LYS A 91 8.947 21.399 11.898 1.00 0.00 N ATOM 0 H LYS A 91 3.706 18.964 9.044 1.00 0.00 H new ATOM 0 HA LYS A 91 5.021 18.097 11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.054 20.884 10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.473 20.333 12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.797 19.760 11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.357 20.468 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.810 22.636 11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.406 21.912 12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.046 22.308 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.135 23.325 11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.901 21.764 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.802 21.338 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.846 20.453 11.478 1.00 0.00 H new ATOM 1373 N TYR A 92 2.496 18.575 12.653 1.00 0.00 N ATOM 1374 CA TYR A 92 1.125 18.333 13.084 1.00 0.00 C ATOM 1375 C TYR A 92 0.528 19.655 13.566 1.00 0.00 C ATOM 1376 O TYR A 92 1.204 20.366 14.307 1.00 0.00 O ATOM 1377 CB TYR A 92 1.084 17.241 14.168 1.00 0.00 C ATOM 1378 CG TYR A 92 -0.004 16.211 13.933 1.00 0.00 C ATOM 1379 CD1 TYR A 92 0.050 15.429 12.768 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -1.095 16.076 14.813 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -0.986 14.530 12.467 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -2.117 15.148 14.529 1.00 0.00 C ATOM 1383 CZ TYR A 92 -2.064 14.379 13.353 1.00 0.00 C ATOM 1384 OH TYR A 92 -3.031 13.456 13.076 1.00 0.00 O ATOM 0 H TYR A 92 3.108 18.915 13.394 1.00 0.00 H new ATOM 0 HA TYR A 92 0.524 17.964 12.253 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.050 16.738 14.206 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.930 17.708 15.141 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.893 15.519 12.099 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.149 16.683 15.705 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.953 13.955 11.554 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.942 15.027 15.216 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.709 13.470 13.784 1.00 0.00 H new ATOM 1394 N PRO A 93 -0.705 20.013 13.165 1.00 0.00 N ATOM 1395 CA PRO A 93 -1.623 19.243 12.328 1.00 0.00 C ATOM 1396 C PRO A 93 -1.247 19.275 10.838 1.00 0.00 C ATOM 1397 O PRO A 93 -1.733 18.455 10.063 1.00 0.00 O ATOM 1398 CB PRO A 93 -2.987 19.903 12.548 1.00 0.00 C ATOM 1399 CG PRO A 93 -2.627 21.367 12.800 1.00 0.00 C ATOM 1400 CD PRO A 93 -1.323 21.258 13.589 1.00 0.00 C ATOM 0 HA PRO A 93 -1.603 18.188 12.601 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.634 19.791 11.678 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.514 19.466 13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.493 21.918 11.869 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.402 21.883 13.367 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.671 22.107 13.385 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.515 21.254 14.662 1.00 0.00 H new ATOM 1408 N ASN A 94 -0.405 20.227 10.426 1.00 0.00 N ATOM 1409 CA ASN A 94 -0.068 20.473 9.028 1.00 0.00 C ATOM 1410 C ASN A 94 0.890 19.415 8.476 1.00 0.00 C ATOM 1411 O ASN A 94 2.054 19.698 8.182 1.00 0.00 O ATOM 1412 CB ASN A 94 0.487 21.897 8.862 1.00 0.00 C ATOM 1413 CG ASN A 94 1.722 22.150 9.722 1.00 0.00 C ATOM 1414 OD1 ASN A 94 1.662 22.006 10.942 1.00 0.00 O ATOM 1415 ND2 ASN A 94 2.838 22.542 9.114 1.00 0.00 N ATOM 0 H ASN A 94 0.069 20.859 11.071 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.980 20.393 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 94 0.738 22.065 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -0.288 22.618 9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.677 22.733 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.855 22.652 8.100 1.00 0.00 H new ATOM 1422 N CYS A 95 0.390 18.192 8.296 1.00 0.00 N ATOM 1423 CA CYS A 95 1.141 17.176 7.577 1.00 0.00 C ATOM 1424 C CYS A 95 1.105 17.514 6.091 1.00 0.00 C ATOM 1425 O CYS A 95 0.047 17.818 5.542 1.00 0.00 O ATOM 1426 CB CYS A 95 0.574 15.767 7.759 1.00 0.00 C ATOM 1427 SG CYS A 95 0.753 14.971 9.370 1.00 0.00 S ATOM 0 H CYS A 95 -0.522 17.888 8.636 1.00 0.00 H new ATOM 0 HA CYS A 95 2.154 17.177 7.979 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.490 15.804 7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.043 15.122 7.016 1.00 0.00 H new ATOM 1432 N ALA A 96 2.261 17.414 5.442 1.00 0.00 N ATOM 1433 CA ALA A 96 2.424 17.458 4.003 1.00 0.00 C ATOM 1434 C ALA A 96 3.113 16.153 3.623 1.00 0.00 C ATOM 1435 O ALA A 96 4.150 15.823 4.200 1.00 0.00 O ATOM 1436 CB ALA A 96 3.278 18.669 3.619 1.00 0.00 C ATOM 0 H ALA A 96 3.147 17.295 5.933 1.00 0.00 H new ATOM 0 HA ALA A 96 1.473 17.559 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.399 18.700 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.787 19.582 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.257 18.588 4.092 1.00 0.00 H new ATOM 1442 N TYR A 97 2.520 15.361 2.730 1.00 0.00 N ATOM 1443 CA TYR A 97 3.146 14.144 2.250 1.00 0.00 C ATOM 1444 C TYR A 97 3.421 14.250 0.755 1.00 0.00 C ATOM 1445 O TYR A 97 2.574 14.702 -0.014 1.00 0.00 O ATOM 1446 CB TYR A 97 2.292 12.909 2.542 1.00 0.00 C ATOM 1447 CG TYR A 97 2.401 12.265 3.915 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.140 13.012 5.077 1.00 0.00 C ATOM 1449 CD2 TYR A 97 2.517 10.863 4.012 1.00 0.00 C ATOM 1450 CE1 TYR A 97 1.857 12.355 6.287 1.00 0.00 C ATOM 1451 CE2 TYR A 97 2.257 10.209 5.228 1.00 0.00 C ATOM 1452 CZ TYR A 97 1.852 10.954 6.346 1.00 0.00 C ATOM 1453 OH TYR A 97 1.170 10.342 7.355 1.00 0.00 O ATOM 0 H TYR A 97 1.602 15.548 2.327 1.00 0.00 H new ATOM 0 HA TYR A 97 4.088 14.026 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.248 13.182 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.539 12.151 1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.157 14.091 5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 97 2.808 10.288 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.643 12.932 7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.368 9.137 5.302 1.00 0.00 H new ATOM 0 HH TYR A 97 0.842 9.471 7.047 1.00 0.00 H new ATOM 1463 N LYS A 98 4.611 13.809 0.346 1.00 0.00 N ATOM 1464 CA LYS A 98 4.942 13.604 -1.037 1.00 0.00 C ATOM 1465 C LYS A 98 4.228 12.355 -1.555 1.00 0.00 C ATOM 1466 O LYS A 98 4.611 11.240 -1.208 1.00 0.00 O ATOM 1467 CB LYS A 98 6.454 13.509 -1.235 1.00 0.00 C ATOM 1468 CG LYS A 98 6.888 13.162 -2.664 1.00 0.00 C ATOM 1469 CD LYS A 98 6.318 14.044 -3.789 1.00 0.00 C ATOM 1470 CE LYS A 98 6.837 15.489 -3.784 1.00 0.00 C ATOM 1471 NZ LYS A 98 6.117 16.352 -2.830 1.00 0.00 N ATOM 0 H LYS A 98 5.373 13.585 0.986 1.00 0.00 H new ATOM 0 HA LYS A 98 4.601 14.464 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.905 14.460 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.850 12.754 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.976 13.210 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.606 12.129 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.558 13.588 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.231 14.060 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.898 15.488 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.744 15.907 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.197 17.344 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.114 16.078 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.531 16.243 -1.882 1.00 0.00 H new ATOM 1485 N THR A 99 3.222 12.555 -2.400 1.00 0.00 N ATOM 1486 CA THR A 99 2.453 11.511 -3.070 1.00 0.00 C ATOM 1487 C THR A 99 3.119 11.123 -4.395 1.00 0.00 C ATOM 1488 O THR A 99 2.848 11.755 -5.416 1.00 0.00 O ATOM 1489 CB THR A 99 1.033 12.050 -3.316 1.00 0.00 C ATOM 1490 OG1 THR A 99 0.518 12.581 -2.122 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.063 10.976 -3.818 1.00 0.00 C ATOM 0 H THR A 99 2.906 13.492 -2.648 1.00 0.00 H new ATOM 0 HA THR A 99 2.411 10.617 -2.448 1.00 0.00 H new ATOM 0 HB THR A 99 1.120 12.813 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.385 12.928 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.921 11.418 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.429 10.567 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.010 10.178 -3.079 1.00 0.00 H new ATOM 1499 N THR A 100 3.957 10.084 -4.404 1.00 0.00 N ATOM 1500 CA THR A 100 4.644 9.628 -5.609 1.00 0.00 C ATOM 1501 C THR A 100 4.017 8.327 -6.117 1.00 0.00 C ATOM 1502 O THR A 100 4.175 7.286 -5.485 1.00 0.00 O ATOM 1503 CB THR A 100 6.123 9.399 -5.283 1.00 0.00 C ATOM 1504 OG1 THR A 100 6.672 10.548 -4.677 1.00 0.00 O ATOM 1505 CG2 THR A 100 6.925 9.106 -6.554 1.00 0.00 C ATOM 0 H THR A 100 4.177 9.536 -3.573 1.00 0.00 H new ATOM 0 HA THR A 100 4.550 10.385 -6.387 1.00 0.00 H new ATOM 0 HB THR A 100 6.181 8.546 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.617 10.390 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.972 8.947 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.530 8.211 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.845 9.951 -7.238 1.00 0.00 H new ATOM 1513 N GLN A 101 3.356 8.354 -7.277 1.00 0.00 N ATOM 1514 CA GLN A 101 2.926 7.124 -7.931 1.00 0.00 C ATOM 1515 C GLN A 101 4.066 6.537 -8.766 1.00 0.00 C ATOM 1516 O GLN A 101 4.638 7.246 -9.590 1.00 0.00 O ATOM 1517 CB GLN A 101 1.623 7.326 -8.721 1.00 0.00 C ATOM 1518 CG GLN A 101 1.707 8.366 -9.849 1.00 0.00 C ATOM 1519 CD GLN A 101 0.386 8.511 -10.601 1.00 0.00 C ATOM 1520 OE1 GLN A 101 -0.594 7.833 -10.313 1.00 0.00 O ATOM 1521 NE2 GLN A 101 0.345 9.403 -11.587 1.00 0.00 N ATOM 0 H GLN A 101 3.110 9.209 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 101 2.686 6.385 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.323 6.370 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.837 7.626 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.992 9.331 -9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.491 8.078 -10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.173 9.956 -11.809 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.514 9.534 -12.121 1.00 0.00 H new ATOM 1530 N VAL A 102 4.406 5.260 -8.551 1.00 0.00 N ATOM 1531 CA VAL A 102 5.399 4.542 -9.325 1.00 0.00 C ATOM 1532 C VAL A 102 4.763 3.278 -9.911 1.00 0.00 C ATOM 1533 O VAL A 102 4.229 2.456 -9.171 1.00 0.00 O ATOM 1534 CB VAL A 102 6.633 4.237 -8.456 1.00 0.00 C ATOM 1535 CG1 VAL A 102 7.335 5.533 -8.036 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.361 3.410 -7.194 1.00 0.00 C ATOM 0 H VAL A 102 3.983 4.694 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 102 5.746 5.155 -10.156 1.00 0.00 H new ATOM 0 HB VAL A 102 7.264 3.626 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.204 5.294 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.656 6.077 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.645 6.151 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.295 3.252 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.658 3.943 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.937 2.446 -7.475 1.00 0.00 H new ATOM 1546 N GLU A 103 4.799 3.135 -11.242 1.00 0.00 N ATOM 1547 CA GLU A 103 4.347 1.943 -11.946 1.00 0.00 C ATOM 1548 C GLU A 103 5.538 1.049 -12.269 1.00 0.00 C ATOM 1549 O GLU A 103 6.188 1.210 -13.298 1.00 0.00 O ATOM 1550 CB GLU A 103 3.483 2.283 -13.165 1.00 0.00 C ATOM 1551 CG GLU A 103 3.987 3.493 -13.949 1.00 0.00 C ATOM 1552 CD GLU A 103 3.198 3.688 -15.240 1.00 0.00 C ATOM 1553 OE1 GLU A 103 1.961 3.509 -15.183 1.00 0.00 O ATOM 1554 OE2 GLU A 103 3.846 4.011 -16.259 1.00 0.00 O ATOM 0 H GLU A 103 5.151 3.862 -11.865 1.00 0.00 H new ATOM 0 HA GLU A 103 3.686 1.375 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.448 1.419 -13.828 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.462 2.473 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.905 4.388 -13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.044 3.363 -14.183 1.00 0.00 H new ATOM 1561 N LYS A 104 5.813 0.098 -11.377 1.00 0.00 N ATOM 1562 CA LYS A 104 6.836 -0.920 -11.529 1.00 0.00 C ATOM 1563 C LYS A 104 6.284 -2.182 -10.870 1.00 0.00 C ATOM 1564 O LYS A 104 5.155 -2.165 -10.372 1.00 0.00 O ATOM 1565 CB LYS A 104 8.161 -0.466 -10.896 1.00 0.00 C ATOM 1566 CG LYS A 104 8.751 0.741 -11.640 1.00 0.00 C ATOM 1567 CD LYS A 104 10.182 1.034 -11.174 1.00 0.00 C ATOM 1568 CE LYS A 104 10.852 2.107 -12.041 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.128 3.389 -11.996 1.00 0.00 N ATOM 0 H LYS A 104 5.306 0.018 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 104 7.062 -1.109 -12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.997 -0.206 -9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.875 -1.290 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.747 0.548 -12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.124 1.617 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.166 1.363 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.771 0.118 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.877 2.258 -11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.906 1.758 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.669 4.112 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.193 3.275 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.010 3.686 -11.006 1.00 0.00 H new ATOM 1583 N HIS A 105 7.045 -3.279 -10.904 1.00 0.00 N ATOM 1584 CA HIS A 105 6.617 -4.516 -10.272 1.00 0.00 C ATOM 1585 C HIS A 105 6.648 -4.347 -8.762 1.00 0.00 C ATOM 1586 O HIS A 105 7.504 -3.641 -8.224 1.00 0.00 O ATOM 1587 CB HIS A 105 7.491 -5.700 -10.694 1.00 0.00 C ATOM 1588 CG HIS A 105 7.279 -6.131 -12.122 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.230 -6.215 -13.120 1.00 0.00 N ATOM 1590 CD2 HIS A 105 6.117 -6.661 -12.605 1.00 0.00 C ATOM 1591 CE1 HIS A 105 7.644 -6.788 -14.192 1.00 0.00 C ATOM 1592 NE2 HIS A 105 6.361 -7.072 -13.896 1.00 0.00 N ATOM 0 H HIS A 105 7.955 -3.330 -11.362 1.00 0.00 H new ATOM 0 HA HIS A 105 5.600 -4.733 -10.597 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.539 -5.434 -10.556 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.287 -6.544 -10.035 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.181 -6.743 -12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 105 8.127 -6.987 -15.137 1.00 0.00 H new ATOM 0 HE2 HIS A 105 5.687 -7.515 -14.520 1.00 0.00 H new ATOM 1601 N ILE A 106 5.702 -5.009 -8.103 1.00 0.00 N ATOM 1602 CA ILE A 106 5.540 -5.001 -6.655 1.00 0.00 C ATOM 1603 C ILE A 106 5.503 -6.425 -6.110 1.00 0.00 C ATOM 1604 O ILE A 106 5.129 -7.363 -6.814 1.00 0.00 O ATOM 1605 CB ILE A 106 4.338 -4.131 -6.238 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.969 -4.753 -6.546 1.00 0.00 C ATOM 1607 CG2 ILE A 106 4.408 -2.778 -6.960 1.00 0.00 C ATOM 1608 CD1 ILE A 106 2.422 -5.655 -5.439 1.00 0.00 C ATOM 0 H ILE A 106 5.006 -5.583 -8.578 1.00 0.00 H new ATOM 0 HA ILE A 106 6.410 -4.531 -6.196 1.00 0.00 H new ATOM 0 HB ILE A 106 4.414 -4.029 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.253 -3.952 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.045 -5.333 -7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.558 -2.163 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.334 -2.270 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.382 -2.939 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.452 -6.052 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.114 -6.479 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.309 -5.077 -4.521 1.00 0.00 H new ATOM 1620 N ILE A 107 5.963 -6.585 -4.870 1.00 0.00 N ATOM 1621 CA ILE A 107 6.059 -7.849 -4.170 1.00 0.00 C ATOM 1622 C ILE A 107 5.318 -7.673 -2.846 1.00 0.00 C ATOM 1623 O ILE A 107 5.680 -6.814 -2.036 1.00 0.00 O ATOM 1624 CB ILE A 107 7.536 -8.242 -3.967 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.325 -8.548 -5.257 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.619 -9.533 -3.137 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.652 -7.350 -6.150 1.00 0.00 C ATOM 0 H ILE A 107 6.291 -5.799 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 107 5.609 -8.661 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 107 7.975 -7.366 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.261 -9.033 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.755 -9.268 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.664 -9.808 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.151 -9.372 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.100 -10.336 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.207 -7.689 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.726 -6.872 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.256 -6.634 -5.592 1.00 0.00 H new ATOM 1639 N VAL A 108 4.283 -8.490 -2.639 1.00 0.00 N ATOM 1640 CA VAL A 108 3.503 -8.526 -1.413 1.00 0.00 C ATOM 1641 C VAL A 108 3.741 -9.857 -0.704 1.00 0.00 C ATOM 1642 O VAL A 108 4.434 -10.717 -1.240 1.00 0.00 O ATOM 1643 CB VAL A 108 2.006 -8.315 -1.722 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.738 -6.847 -2.059 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.505 -9.217 -2.859 1.00 0.00 C ATOM 0 H VAL A 108 3.961 -9.158 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 108 3.819 -7.718 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 108 1.453 -8.593 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.678 -6.711 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.019 -6.222 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.326 -6.561 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.446 -9.027 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.067 -9.003 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.645 -10.262 -2.583 1.00 0.00 H new ATOM 1655 N ALA A 109 3.161 -10.038 0.484 1.00 0.00 N ATOM 1656 CA ALA A 109 3.056 -11.334 1.136 1.00 0.00 C ATOM 1657 C ALA A 109 1.626 -11.503 1.638 1.00 0.00 C ATOM 1658 O ALA A 109 0.932 -10.514 1.909 1.00 0.00 O ATOM 1659 CB ALA A 109 4.087 -11.505 2.253 1.00 0.00 C ATOM 0 H ALA A 109 2.748 -9.277 1.022 1.00 0.00 H new ATOM 0 HA ALA A 109 3.282 -12.121 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.969 -12.488 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.091 -11.416 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.937 -10.734 3.008 1.00 0.00 H new ATOM 1665 N CYS A 110 1.188 -12.762 1.709 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.182 -13.134 2.016 1.00 0.00 C ATOM 1667 C CYS A 110 -0.201 -13.950 3.299 1.00 0.00 C ATOM 1668 O CYS A 110 0.753 -14.669 3.592 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.827 -13.866 0.834 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.813 -12.915 -0.708 1.00 0.00 S ATOM 0 H CYS A 110 1.796 -13.565 1.550 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.783 -12.240 2.180 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -0.305 -14.809 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.858 -14.112 1.089 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.253 -13.773 4.097 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.324 -14.320 5.441 1.00 0.00 C ATOM 1677 C GLY A 111 -1.558 -15.829 5.451 1.00 0.00 C ATOM 1678 O GLY A 111 -1.754 -16.454 4.409 1.00 0.00 O ATOM 0 H GLY A 111 -2.081 -13.243 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.397 -14.097 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.129 -13.828 5.987 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.556 -16.411 6.654 1.00 0.00 N ATOM 1683 CA GLY A 112 -2.016 -17.770 6.859 1.00 0.00 C ATOM 1684 C GLY A 112 -3.496 -17.840 6.491 1.00 0.00 C ATOM 1685 O GLY A 112 -4.171 -16.814 6.460 1.00 0.00 O ATOM 0 H GLY A 112 -1.235 -15.948 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.440 -18.462 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.869 -18.067 7.897 1.00 0.00 H new ATOM 1689 N LYS A 113 -3.974 -19.049 6.194 1.00 0.00 N ATOM 1690 CA LYS A 113 -5.286 -19.289 5.601 1.00 0.00 C ATOM 1691 C LYS A 113 -6.390 -18.413 6.228 1.00 0.00 C ATOM 1692 O LYS A 113 -6.557 -18.447 7.447 1.00 0.00 O ATOM 1693 CB LYS A 113 -5.664 -20.772 5.697 1.00 0.00 C ATOM 1694 CG LYS A 113 -4.688 -21.670 4.920 1.00 0.00 C ATOM 1695 CD LYS A 113 -5.219 -23.102 4.767 1.00 0.00 C ATOM 1696 CE LYS A 113 -6.350 -23.195 3.732 1.00 0.00 C ATOM 1697 NZ LYS A 113 -6.771 -24.591 3.523 1.00 0.00 N ATOM 0 H LYS A 113 -3.447 -19.906 6.363 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.210 -19.007 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -5.679 -21.075 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.673 -20.914 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.510 -21.242 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.728 -21.693 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.403 -23.760 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.581 -23.458 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.201 -22.602 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.016 -22.768 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.536 -24.621 2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.963 -25.150 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.112 -24.989 4.421 1.00 0.00 H new ATOM 1711 N PRO A 114 -7.168 -17.662 5.427 1.00 0.00 N ATOM 1712 CA PRO A 114 -7.138 -17.634 3.972 1.00 0.00 C ATOM 1713 C PRO A 114 -5.937 -16.848 3.441 1.00 0.00 C ATOM 1714 O PRO A 114 -5.512 -15.849 4.013 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.458 -16.995 3.549 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.775 -16.056 4.715 1.00 0.00 C ATOM 1717 CD PRO A 114 -8.240 -16.818 5.929 1.00 0.00 C ATOM 0 HA PRO A 114 -7.027 -18.637 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.361 -16.452 2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.240 -17.741 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.286 -15.089 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.845 -15.864 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.872 -16.131 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.025 -17.417 6.392 1.00 0.00 H new ATOM 1725 N SER A 115 -5.389 -17.318 2.322 1.00 0.00 N ATOM 1726 CA SER A 115 -4.193 -16.785 1.696 1.00 0.00 C ATOM 1727 C SER A 115 -4.509 -15.456 1.003 1.00 0.00 C ATOM 1728 O SER A 115 -4.606 -15.393 -0.219 1.00 0.00 O ATOM 1729 CB SER A 115 -3.655 -17.859 0.738 1.00 0.00 C ATOM 1730 OG SER A 115 -4.715 -18.699 0.298 1.00 0.00 O ATOM 0 H SER A 115 -5.784 -18.109 1.813 1.00 0.00 H new ATOM 0 HA SER A 115 -3.419 -16.559 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.177 -17.385 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.893 -18.455 1.239 1.00 0.00 H new ATOM 0 HG SER A 115 -4.362 -19.379 -0.313 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.674 -14.394 1.796 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.049 -13.061 1.332 1.00 0.00 C ATOM 1738 C VAL A 116 -3.894 -12.081 1.586 1.00 0.00 C ATOM 1739 O VAL A 116 -3.149 -12.274 2.549 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.360 -12.630 2.014 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.478 -13.633 1.715 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -6.217 -12.444 3.533 1.00 0.00 C ATOM 0 H VAL A 116 -4.546 -14.442 2.807 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.231 -13.067 0.257 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.617 -11.657 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.396 -13.311 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.641 -13.686 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.193 -14.617 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.175 -12.140 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.903 -13.384 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.471 -11.676 3.737 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.713 -11.056 0.731 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.588 -10.134 0.814 1.00 0.00 C ATOM 1754 C PRO A 117 -2.657 -9.328 2.108 1.00 0.00 C ATOM 1755 O PRO A 117 -3.721 -8.821 2.459 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.680 -9.240 -0.426 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.165 -9.284 -0.789 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.594 -10.688 -0.366 1.00 0.00 C ATOM 0 HA PRO A 117 -1.631 -10.656 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.349 -8.224 -0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.057 -9.615 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.730 -8.516 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.323 -9.120 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.637 -10.700 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.503 -11.391 -1.194 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.532 -9.230 2.823 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.497 -8.618 4.142 1.00 0.00 C ATOM 1768 C VAL A 118 -0.182 -7.883 4.423 1.00 0.00 C ATOM 1769 O VAL A 118 -0.004 -7.337 5.510 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.855 -9.694 5.187 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.710 -10.690 5.398 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -2.289 -9.106 6.534 1.00 0.00 C ATOM 0 H VAL A 118 -0.627 -9.573 2.500 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.243 -7.826 4.199 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.711 -10.224 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.004 -11.430 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.485 -11.191 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.175 -10.158 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.527 -9.915 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.479 -8.504 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -3.170 -8.480 6.391 1.00 0.00 H new ATOM 1782 N HIS A 119 0.748 -7.843 3.464 1.00 0.00 N ATOM 1783 CA HIS A 119 2.037 -7.201 3.658 1.00 0.00 C ATOM 1784 C HIS A 119 2.582 -6.729 2.316 1.00 0.00 C ATOM 1785 O HIS A 119 2.517 -7.469 1.337 1.00 0.00 O ATOM 1786 CB HIS A 119 2.974 -8.190 4.352 1.00 0.00 C ATOM 1787 CG HIS A 119 4.424 -7.782 4.375 1.00 0.00 C ATOM 1788 ND1 HIS A 119 5.484 -8.530 3.897 1.00 0.00 N ATOM 1789 CD2 HIS A 119 4.921 -6.620 4.894 1.00 0.00 C ATOM 1790 CE1 HIS A 119 6.610 -7.836 4.133 1.00 0.00 C ATOM 1791 NE2 HIS A 119 6.290 -6.667 4.722 1.00 0.00 N ATOM 0 H HIS A 119 0.623 -8.254 2.539 1.00 0.00 H new ATOM 0 HA HIS A 119 1.943 -6.320 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.635 -8.330 5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 119 2.892 -9.156 3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 119 4.354 -5.821 5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 119 7.610 -8.162 3.890 1.00 0.00 H new ATOM 0 HE2 HIS A 119 6.949 -5.938 4.995 1.00 0.00 H new ATOM 1800 N PHE A 120 3.114 -5.503 2.289 1.00 0.00 N ATOM 1801 CA PHE A 120 3.884 -4.955 1.185 1.00 0.00 C ATOM 1802 C PHE A 120 5.350 -5.238 1.498 1.00 0.00 C ATOM 1803 O PHE A 120 5.890 -4.671 2.446 1.00 0.00 O ATOM 1804 CB PHE A 120 3.633 -3.446 1.065 1.00 0.00 C ATOM 1805 CG PHE A 120 4.537 -2.754 0.063 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.322 -2.927 -1.316 1.00 0.00 C ATOM 1807 CD2 PHE A 120 5.669 -2.046 0.510 1.00 0.00 C ATOM 1808 CE1 PHE A 120 5.219 -2.367 -2.243 1.00 0.00 C ATOM 1809 CE2 PHE A 120 6.562 -1.485 -0.418 1.00 0.00 C ATOM 1810 CZ PHE A 120 6.333 -1.638 -1.795 1.00 0.00 C ATOM 0 H PHE A 120 3.013 -4.848 3.065 1.00 0.00 H new ATOM 0 HA PHE A 120 3.597 -5.406 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.594 -3.281 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.770 -2.985 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.468 -3.490 -1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.851 -1.934 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.051 -2.498 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.425 -0.936 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 120 7.012 -1.196 -2.509 1.00 0.00 H new ATOM 1820 N ASP A 121 5.974 -6.137 0.735 1.00 0.00 N ATOM 1821 CA ASP A 121 7.365 -6.511 0.944 1.00 0.00 C ATOM 1822 C ASP A 121 8.293 -5.514 0.266 1.00 0.00 C ATOM 1823 O ASP A 121 9.177 -4.960 0.914 1.00 0.00 O ATOM 1824 CB ASP A 121 7.607 -7.927 0.419 1.00 0.00 C ATOM 1825 CG ASP A 121 9.026 -8.413 0.703 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.246 -8.898 1.833 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.860 -8.320 -0.225 1.00 0.00 O ATOM 0 H ASP A 121 5.527 -6.623 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 121 7.580 -6.495 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.892 -8.610 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.425 -7.950 -0.655 1.00 0.00 H new ATOM 1832 N ALA A 122 8.122 -5.318 -1.044 1.00 0.00 N ATOM 1833 CA ALA A 122 9.048 -4.515 -1.830 1.00 0.00 C ATOM 1834 C ALA A 122 8.441 -4.159 -3.184 1.00 0.00 C ATOM 1835 O ALA A 122 7.324 -4.568 -3.504 1.00 0.00 O ATOM 1836 CB ALA A 122 10.364 -5.287 -2.014 1.00 0.00 C ATOM 0 H ALA A 122 7.346 -5.708 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 122 9.249 -3.584 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.058 -4.687 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.802 -5.497 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.166 -6.225 -2.532 1.00 0.00 H new ATOM 1842 N SER A 123 9.197 -3.425 -3.997 1.00 0.00 N ATOM 1843 CA SER A 123 8.864 -3.118 -5.373 1.00 0.00 C ATOM 1844 C SER A 123 10.150 -2.801 -6.126 1.00 0.00 C ATOM 1845 O SER A 123 11.215 -2.736 -5.515 1.00 0.00 O ATOM 1846 CB SER A 123 7.866 -1.953 -5.422 1.00 0.00 C ATOM 1847 OG SER A 123 8.349 -0.852 -4.676 1.00 0.00 O ATOM 0 H SER A 123 10.084 -3.018 -3.701 1.00 0.00 H new ATOM 0 HA SER A 123 8.385 -3.972 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.699 -1.653 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.903 -2.275 -5.024 1.00 0.00 H new ATOM 0 HG SER A 123 7.640 -0.182 -4.585 1.00 0.00 H new ATOM 1853 N VAL A 124 10.031 -2.617 -7.445 1.00 0.00 N ATOM 1854 CA VAL A 124 11.127 -2.297 -8.353 1.00 0.00 C ATOM 1855 C VAL A 124 12.191 -3.402 -8.449 1.00 0.00 C ATOM 1856 O VAL A 124 12.034 -4.437 -7.764 1.00 0.00 O ATOM 1857 CB VAL A 124 11.668 -0.852 -8.178 1.00 0.00 C ATOM 1858 CG1 VAL A 124 10.630 0.101 -7.564 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.954 -0.726 -7.344 1.00 0.00 C ATOM 1860 OXT VAL A 124 13.116 -3.219 -9.270 1.00 0.00 O ATOM 0 H VAL A 124 9.133 -2.691 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 124 10.696 -2.285 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 124 11.900 -0.569 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.063 1.096 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.753 0.149 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.336 -0.266 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 124 13.247 0.322 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.776 -1.112 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.752 -1.299 -7.817 1.00 0.00 H new TER 1870 VAL A 124