USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=41 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 87 THR OG1 : rot 124:sc= 0.224 USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 74 GLN : amide:sc= -1.72 K(o=-2.5,f=-6.2!) USER MOD Set 2.2: A 105 HIS : no HD1:sc= -0.744 K(o=-2.5,f=-4.4!) USER MOD Set 3.1: A 70 THR OG1 : rot 180:sc= 1.41 USER MOD Set 3.2: A 71 ASN : amide:sc= 0.269! K(o=2.9!,f=0.49) USER MOD Set 3.3: A 73 TYR OH : rot -13:sc= 1.2 USER MOD Set 4.1: A 60 GLN : amide:sc= 0.753 K(o=2.9,f=-4.2!) USER MOD Set 4.2: A 75 SER OG : rot -101:sc= 1.23 USER MOD Set 4.3: A 77 SER OG : rot -165:sc= 0.9 USER MOD Set 4.4: A 79 MET CE :methyl 173:sc= 0 (180deg=-0.0732) USER MOD Set 5.1: A 21 SER OG : rot 80:sc= 0.543 USER MOD Set 5.2: A 48 HIS : no HD1:sc= -0.108 X(o=1.1,f=1.2) USER MOD Set 5.3: A 82 THR OG1 : rot -140:sc= 0.648 USER MOD Set 6.1: A 30 MET CE :methyl -179:sc= -0.317 (180deg=-0.317) USER MOD Set 6.2: A 97 TYR OH : rot 40:sc= 0.244 USER MOD Set 7.1: A 17 ASN : amide:sc= 0.937 K(o=5.7,f=2.3!) USER MOD Set 7.2: A 18 SER OG : rot -71:sc= 1.71 USER MOD Set 7.3: A 20 SER OG : rot -118:sc= 1.97 USER MOD Set 7.4: A 25 TYR OH : rot 47:sc= 1.13 USER MOD Set 8.1: A 11 GLN : amide:sc= 0 X(o=0.48,f=0.48) USER MOD Set 8.2: A 44 ASN : amide:sc= 0.48 K(o=0.48,f=-0.11) USER MOD Single : A 1 LYS N :NH3+ 177:sc= -0.0112 (180deg=-0.0414) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc=-0.000212 (180deg=-0.107) USER MOD Single : A 12 HIS : no HE2:sc= 0.383 K(o=0.38,f=-2.9!) USER MOD Single : A 13 MET CE :methyl 170:sc= 0 (180deg=-0.193) USER MOD Single : A 15 SER OG : rot -14:sc= 0.126 USER MOD Single : A 22 SER OG : rot 180:sc= 0.163 USER MOD Single : A 23 SER OG : rot 42:sc= 0.187 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 27 ASN : amide:sc= 0.136 X(o=0.14,f=-0.22) USER MOD Single : A 29 MET CE :methyl 180:sc= -0.0141 (180deg=-0.0141) 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 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.00217 (180deg=-0.0796) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 143:sc= 1.28 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= -0.115 (180deg=-1.07) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=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 K(o=0,f=-0.63) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0865) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 90 SER OG : rot 130:sc= 1.79 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0267 (180deg=-0.171) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1.6!) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0255) USER MOD Single : A 99 THR OG1 : rot 178:sc= 0.254 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.176 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.987 -10.403 13.592 1.00 0.00 N ATOM 2 CA LYS A 1 -14.403 -9.328 12.669 1.00 0.00 C ATOM 3 C LYS A 1 -13.211 -8.779 11.880 1.00 0.00 C ATOM 4 O LYS A 1 -13.273 -8.690 10.654 1.00 0.00 O ATOM 5 CB LYS A 1 -15.237 -8.253 13.382 1.00 0.00 C ATOM 6 CG LYS A 1 -14.504 -7.518 14.516 1.00 0.00 C ATOM 7 CD LYS A 1 -15.470 -6.685 15.370 1.00 0.00 C ATOM 8 CE LYS A 1 -16.282 -7.558 16.338 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.126 -6.738 17.224 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.807 -10.719 14.148 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.610 -11.203 13.045 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.251 -10.044 14.233 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.074 -9.757 11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.566 -7.520 12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.134 -8.720 13.790 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.992 -8.243 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.739 -6.867 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.906 -5.944 15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.151 -6.138 14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.909 -8.246 15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.604 -8.165 16.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.661 -7.358 17.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.525 -6.099 17.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.789 -6.178 16.651 1.00 0.00 H new ATOM 25 N GLU A 2 -12.106 -8.443 12.559 1.00 0.00 N ATOM 26 CA GLU A 2 -10.853 -8.192 11.879 1.00 0.00 C ATOM 27 C GLU A 2 -10.490 -9.432 11.068 1.00 0.00 C ATOM 28 O GLU A 2 -10.768 -10.554 11.488 1.00 0.00 O ATOM 29 CB GLU A 2 -9.730 -7.813 12.853 1.00 0.00 C ATOM 30 CG GLU A 2 -8.406 -7.531 12.111 1.00 0.00 C ATOM 31 CD GLU A 2 -7.421 -6.799 13.015 1.00 0.00 C ATOM 32 OE1 GLU A 2 -7.631 -5.580 13.197 1.00 0.00 O ATOM 33 OE2 GLU A 2 -6.489 -7.469 13.507 1.00 0.00 O ATOM 0 H GLU A 2 -12.066 -8.342 13.573 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.974 -7.336 11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.024 -6.931 13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.581 -8.621 13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.967 -8.470 11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.603 -6.933 11.222 1.00 0.00 H new ATOM 40 N SER A 3 -9.882 -9.225 9.905 1.00 0.00 N ATOM 41 CA SER A 3 -9.588 -10.307 8.984 1.00 0.00 C ATOM 42 C SER A 3 -8.377 -9.879 8.170 1.00 0.00 C ATOM 43 O SER A 3 -8.460 -9.737 6.956 1.00 0.00 O ATOM 44 CB SER A 3 -10.831 -10.589 8.132 1.00 0.00 C ATOM 45 OG SER A 3 -10.700 -11.829 7.463 1.00 0.00 O ATOM 0 H SER A 3 -9.582 -8.306 9.579 1.00 0.00 H new ATOM 0 HA SER A 3 -9.347 -11.242 9.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.718 -10.602 8.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.970 -9.789 7.405 1.00 0.00 H new ATOM 0 HG SER A 3 -11.501 -11.996 6.924 1.00 0.00 H new ATOM 51 N ALA A 4 -7.282 -9.610 8.895 1.00 0.00 N ATOM 52 CA ALA A 4 -5.963 -9.158 8.466 1.00 0.00 C ATOM 53 C ALA A 4 -5.962 -8.376 7.157 1.00 0.00 C ATOM 54 O ALA A 4 -5.843 -7.152 7.132 1.00 0.00 O ATOM 55 CB ALA A 4 -5.036 -10.370 8.355 1.00 0.00 C ATOM 0 H ALA A 4 -7.309 -9.718 9.909 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.609 -8.458 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.047 -10.043 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.960 -10.860 9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.440 -11.072 7.625 1.00 0.00 H new ATOM 61 N ALA A 5 -6.084 -9.129 6.070 1.00 0.00 N ATOM 62 CA ALA A 5 -6.058 -8.660 4.704 1.00 0.00 C ATOM 63 C ALA A 5 -7.084 -7.563 4.459 1.00 0.00 C ATOM 64 O ALA A 5 -6.838 -6.694 3.638 1.00 0.00 O ATOM 65 CB ALA A 5 -6.298 -9.837 3.762 1.00 0.00 C ATOM 0 H ALA A 5 -6.211 -10.139 6.130 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.077 -8.227 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.279 -9.487 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.517 -10.584 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.270 -10.282 3.976 1.00 0.00 H new ATOM 71 N ALA A 6 -8.217 -7.581 5.162 1.00 0.00 N ATOM 72 CA ALA A 6 -9.273 -6.595 5.008 1.00 0.00 C ATOM 73 C ALA A 6 -8.791 -5.249 5.542 1.00 0.00 C ATOM 74 O ALA A 6 -8.820 -4.250 4.832 1.00 0.00 O ATOM 75 CB ALA A 6 -10.538 -7.067 5.732 1.00 0.00 C ATOM 0 H ALA A 6 -8.424 -8.293 5.862 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.520 -6.476 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.325 -6.323 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.868 -8.015 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.322 -7.199 6.792 1.00 0.00 H new ATOM 81 N LYS A 7 -8.322 -5.229 6.793 1.00 0.00 N ATOM 82 CA LYS A 7 -7.768 -4.035 7.414 1.00 0.00 C ATOM 83 C LYS A 7 -6.569 -3.535 6.601 1.00 0.00 C ATOM 84 O LYS A 7 -6.499 -2.362 6.241 1.00 0.00 O ATOM 85 CB LYS A 7 -7.404 -4.362 8.870 1.00 0.00 C ATOM 86 CG LYS A 7 -8.517 -3.943 9.844 1.00 0.00 C ATOM 87 CD LYS A 7 -9.875 -4.606 9.553 1.00 0.00 C ATOM 88 CE LYS A 7 -10.973 -4.066 10.477 1.00 0.00 C ATOM 89 NZ LYS A 7 -10.674 -4.303 11.901 1.00 0.00 N ATOM 0 H LYS A 7 -8.319 -6.048 7.402 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.499 -3.226 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.220 -5.432 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.477 -3.853 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.211 -4.192 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.635 -2.860 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.153 -4.429 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.789 -5.685 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.094 -2.996 10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.922 -4.538 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.501 -4.045 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.451 -5.308 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.859 -3.723 12.186 1.00 0.00 H new ATOM 103 N PHE A 8 -5.655 -4.451 6.278 1.00 0.00 N ATOM 104 CA PHE A 8 -4.530 -4.197 5.393 1.00 0.00 C ATOM 105 C PHE A 8 -5.001 -3.502 4.108 1.00 0.00 C ATOM 106 O PHE A 8 -4.518 -2.423 3.767 1.00 0.00 O ATOM 107 CB PHE A 8 -3.849 -5.536 5.092 1.00 0.00 C ATOM 108 CG PHE A 8 -2.698 -5.479 4.112 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.509 -4.812 4.456 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.801 -6.137 2.873 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.434 -4.785 3.553 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.718 -6.129 1.982 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.538 -5.450 2.318 1.00 0.00 C ATOM 0 H PHE A 8 -5.681 -5.407 6.634 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.815 -3.527 5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.484 -5.956 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.599 -6.225 4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.423 -4.321 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.714 -6.649 2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.472 -4.254 3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.793 -6.646 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.292 -5.438 1.627 1.00 0.00 H new ATOM 123 N GLU A 9 -5.967 -4.096 3.400 1.00 0.00 N ATOM 124 CA GLU A 9 -6.446 -3.594 2.138 1.00 0.00 C ATOM 125 C GLU A 9 -7.048 -2.213 2.369 1.00 0.00 C ATOM 126 O GLU A 9 -6.708 -1.294 1.648 1.00 0.00 O ATOM 127 CB GLU A 9 -7.480 -4.570 1.570 1.00 0.00 C ATOM 128 CG GLU A 9 -6.807 -5.501 0.549 1.00 0.00 C ATOM 129 CD GLU A 9 -7.746 -6.564 -0.017 1.00 0.00 C ATOM 130 OE1 GLU A 9 -8.685 -6.957 0.707 1.00 0.00 O ATOM 131 OE2 GLU A 9 -7.493 -6.975 -1.171 1.00 0.00 O ATOM 0 H GLU A 9 -6.435 -4.950 3.704 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.635 -3.506 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.922 -5.157 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.292 -4.019 1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.412 -4.902 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.957 -5.993 1.022 1.00 0.00 H new ATOM 138 N ARG A 10 -7.888 -2.023 3.385 1.00 0.00 N ATOM 139 CA ARG A 10 -8.477 -0.722 3.664 1.00 0.00 C ATOM 140 C ARG A 10 -7.434 0.409 3.716 1.00 0.00 C ATOM 141 O ARG A 10 -7.757 1.528 3.323 1.00 0.00 O ATOM 142 CB ARG A 10 -9.320 -0.813 4.940 1.00 0.00 C ATOM 143 CG ARG A 10 -10.639 -1.551 4.663 1.00 0.00 C ATOM 144 CD ARG A 10 -11.361 -1.914 5.965 1.00 0.00 C ATOM 145 NE ARG A 10 -12.625 -2.617 5.700 1.00 0.00 N ATOM 146 CZ ARG A 10 -13.786 -2.031 5.374 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.860 -0.703 5.231 1.00 0.00 N ATOM 148 NH2 ARG A 10 -14.876 -2.783 5.188 1.00 0.00 N ATOM 0 H ARG A 10 -8.175 -2.760 4.029 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.131 -0.453 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.760 -1.335 5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.529 0.188 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.286 -0.925 4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.438 -2.457 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.715 -2.543 6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.560 -1.008 6.537 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.618 -3.635 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.029 -0.128 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.747 -0.265 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.821 -3.796 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.762 -2.344 4.940 1.00 0.00 H new ATOM 162 N GLN A 11 -6.196 0.143 4.162 1.00 0.00 N ATOM 163 CA GLN A 11 -5.129 1.150 4.166 1.00 0.00 C ATOM 164 C GLN A 11 -4.199 1.084 2.939 1.00 0.00 C ATOM 165 O GLN A 11 -3.587 2.092 2.581 1.00 0.00 O ATOM 166 CB GLN A 11 -4.354 1.101 5.488 1.00 0.00 C ATOM 167 CG GLN A 11 -3.602 -0.212 5.734 1.00 0.00 C ATOM 168 CD GLN A 11 -2.737 -0.130 6.986 1.00 0.00 C ATOM 169 OE1 GLN A 11 -3.031 -0.764 7.994 1.00 0.00 O ATOM 170 NE2 GLN A 11 -1.662 0.653 6.939 1.00 0.00 N ATOM 0 H GLN A 11 -5.911 -0.766 4.526 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.616 2.122 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.639 1.924 5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.051 1.266 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.316 -1.029 5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.976 -0.442 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.443 1.168 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.057 0.738 7.756 1.00 0.00 H new ATOM 179 N HIS A 12 -4.044 -0.092 2.321 1.00 0.00 N ATOM 180 CA HIS A 12 -3.070 -0.337 1.254 1.00 0.00 C ATOM 181 C HIS A 12 -3.685 -0.217 -0.148 1.00 0.00 C ATOM 182 O HIS A 12 -3.029 0.200 -1.095 1.00 0.00 O ATOM 183 CB HIS A 12 -2.441 -1.722 1.463 1.00 0.00 C ATOM 184 CG HIS A 12 -1.327 -2.039 0.498 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.363 -1.154 0.053 1.00 0.00 N ATOM 186 CD2 HIS A 12 -1.109 -3.242 -0.111 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.442 -1.818 -0.795 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.007 -3.087 -0.910 1.00 0.00 N ATOM 0 H HIS A 12 -4.602 -0.914 2.553 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.301 0.433 1.311 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.056 -1.785 2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.218 -2.481 1.368 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.278 -0.173 0.320 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.696 -4.141 0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.299 -1.401 -1.302 1.00 0.00 H new ATOM 197 N MET A 13 -4.949 -0.602 -0.293 1.00 0.00 N ATOM 198 CA MET A 13 -5.756 -0.528 -1.498 1.00 0.00 C ATOM 199 C MET A 13 -6.892 0.455 -1.227 1.00 0.00 C ATOM 200 O MET A 13 -7.751 0.216 -0.384 1.00 0.00 O ATOM 201 CB MET A 13 -6.252 -1.940 -1.853 1.00 0.00 C ATOM 202 CG MET A 13 -7.111 -1.995 -3.121 1.00 0.00 C ATOM 203 SD MET A 13 -8.810 -1.400 -2.938 1.00 0.00 S ATOM 204 CE MET A 13 -9.393 -1.704 -4.607 1.00 0.00 C ATOM 0 H MET A 13 -5.470 -1.002 0.487 1.00 0.00 H new ATOM 0 HA MET A 13 -5.190 -0.168 -2.358 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.391 -2.596 -1.981 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.830 -2.332 -1.017 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.620 -1.407 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.142 -3.026 -3.474 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.473 -1.566 -4.646 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.913 -1.006 -5.293 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.147 -2.725 -4.898 1.00 0.00 H new ATOM 214 N ASP A 14 -6.907 1.560 -1.969 1.00 0.00 N ATOM 215 CA ASP A 14 -7.986 2.539 -1.922 1.00 0.00 C ATOM 216 C ASP A 14 -8.385 2.888 -3.355 1.00 0.00 C ATOM 217 O ASP A 14 -8.721 4.031 -3.650 1.00 0.00 O ATOM 218 CB ASP A 14 -7.516 3.763 -1.120 1.00 0.00 C ATOM 219 CG ASP A 14 -8.622 4.794 -0.909 1.00 0.00 C ATOM 220 OD1 ASP A 14 -9.703 4.381 -0.432 1.00 0.00 O ATOM 221 OD2 ASP A 14 -8.354 5.985 -1.180 1.00 0.00 O ATOM 0 H ASP A 14 -6.164 1.801 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.868 2.142 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.143 3.434 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.682 4.234 -1.640 1.00 0.00 H new ATOM 226 N SER A 15 -8.299 1.883 -4.236 1.00 0.00 N ATOM 227 CA SER A 15 -8.366 2.037 -5.680 1.00 0.00 C ATOM 228 C SER A 15 -7.608 3.289 -6.127 1.00 0.00 C ATOM 229 O SER A 15 -6.542 3.594 -5.595 1.00 0.00 O ATOM 230 CB SER A 15 -9.810 1.898 -6.193 1.00 0.00 C ATOM 231 OG SER A 15 -10.574 3.052 -5.922 1.00 0.00 O ATOM 0 H SER A 15 -8.177 0.913 -3.946 1.00 0.00 H new ATOM 0 HA SER A 15 -7.841 1.215 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.798 1.714 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.280 1.033 -5.726 1.00 0.00 H new ATOM 0 HG SER A 15 -10.102 3.611 -5.270 1.00 0.00 H new ATOM 237 N GLY A 16 -8.135 3.977 -7.131 1.00 0.00 N ATOM 238 CA GLY A 16 -7.559 5.168 -7.712 1.00 0.00 C ATOM 239 C GLY A 16 -8.696 6.074 -8.159 1.00 0.00 C ATOM 240 O GLY A 16 -9.868 5.765 -7.951 1.00 0.00 O ATOM 0 H GLY A 16 -9.011 3.704 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.928 5.679 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.923 4.909 -8.559 1.00 0.00 H new ATOM 244 N ASN A 17 -8.344 7.197 -8.778 1.00 0.00 N ATOM 245 CA ASN A 17 -9.281 8.228 -9.194 1.00 0.00 C ATOM 246 C ASN A 17 -8.605 9.007 -10.328 1.00 0.00 C ATOM 247 O ASN A 17 -7.715 8.469 -10.987 1.00 0.00 O ATOM 248 CB ASN A 17 -9.622 9.096 -7.967 1.00 0.00 C ATOM 249 CG ASN A 17 -10.873 9.943 -8.174 1.00 0.00 C ATOM 250 OD1 ASN A 17 -10.782 11.102 -8.579 1.00 0.00 O ATOM 251 ND2 ASN A 17 -12.047 9.368 -7.938 1.00 0.00 N ATOM 0 H ASN A 17 -7.375 7.418 -9.008 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.225 7.832 -9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.764 8.452 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.779 9.750 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.910 9.889 -8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.085 8.405 -7.603 1.00 0.00 H new ATOM 258 N SER A 18 -8.989 10.265 -10.549 1.00 0.00 N ATOM 259 CA SER A 18 -8.288 11.193 -11.416 1.00 0.00 C ATOM 260 C SER A 18 -6.792 11.230 -11.057 1.00 0.00 C ATOM 261 O SER A 18 -6.433 10.953 -9.911 1.00 0.00 O ATOM 262 CB SER A 18 -8.943 12.573 -11.247 1.00 0.00 C ATOM 263 OG SER A 18 -9.040 12.933 -9.877 1.00 0.00 O ATOM 0 H SER A 18 -9.819 10.670 -10.115 1.00 0.00 H new ATOM 0 HA SER A 18 -8.357 10.880 -12.458 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.360 13.323 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.937 12.563 -11.694 1.00 0.00 H new ATOM 0 HG SER A 18 -9.723 12.382 -9.441 1.00 0.00 H new ATOM 269 N PRO A 19 -5.905 11.582 -12.002 1.00 0.00 N ATOM 270 CA PRO A 19 -4.467 11.651 -11.762 1.00 0.00 C ATOM 271 C PRO A 19 -4.112 12.916 -10.964 1.00 0.00 C ATOM 272 O PRO A 19 -3.339 13.755 -11.418 1.00 0.00 O ATOM 273 CB PRO A 19 -3.844 11.628 -13.164 1.00 0.00 C ATOM 274 CG PRO A 19 -4.893 12.344 -14.014 1.00 0.00 C ATOM 275 CD PRO A 19 -6.206 11.855 -13.399 1.00 0.00 C ATOM 0 HA PRO A 19 -4.090 10.827 -11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.884 12.143 -13.188 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.668 10.610 -13.512 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.795 13.428 -13.952 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.814 12.076 -15.068 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.987 12.609 -13.492 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.566 10.959 -13.905 1.00 0.00 H new ATOM 283 N SER A 20 -4.678 13.054 -9.764 1.00 0.00 N ATOM 284 CA SER A 20 -4.571 14.220 -8.901 1.00 0.00 C ATOM 285 C SER A 20 -3.710 13.906 -7.668 1.00 0.00 C ATOM 286 O SER A 20 -3.839 14.556 -6.633 1.00 0.00 O ATOM 287 CB SER A 20 -6.007 14.637 -8.540 1.00 0.00 C ATOM 288 OG SER A 20 -6.826 13.489 -8.363 1.00 0.00 O ATOM 0 H SER A 20 -5.250 12.317 -9.352 1.00 0.00 H new ATOM 0 HA SER A 20 -4.068 15.048 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.001 15.232 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.419 15.267 -9.328 1.00 0.00 H new ATOM 0 HG SER A 20 -7.547 13.496 -9.026 1.00 0.00 H new ATOM 294 N SER A 21 -2.816 12.917 -7.780 1.00 0.00 N ATOM 295 CA SER A 21 -2.035 12.377 -6.671 1.00 0.00 C ATOM 296 C SER A 21 -0.939 13.369 -6.237 1.00 0.00 C ATOM 297 O SER A 21 0.240 13.158 -6.513 1.00 0.00 O ATOM 298 CB SER A 21 -1.495 10.988 -7.074 1.00 0.00 C ATOM 299 OG SER A 21 -1.223 10.185 -5.940 1.00 0.00 O ATOM 0 H SER A 21 -2.613 12.461 -8.670 1.00 0.00 H new ATOM 0 HA SER A 21 -2.662 12.241 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.223 10.485 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.585 11.107 -7.663 1.00 0.00 H new ATOM 0 HG SER A 21 -2.059 9.797 -5.606 1.00 0.00 H new ATOM 305 N SER A 22 -1.325 14.464 -5.571 1.00 0.00 N ATOM 306 CA SER A 22 -0.424 15.502 -5.075 1.00 0.00 C ATOM 307 C SER A 22 -0.083 15.309 -3.592 1.00 0.00 C ATOM 308 O SER A 22 -0.684 14.485 -2.900 1.00 0.00 O ATOM 309 CB SER A 22 -1.058 16.881 -5.306 1.00 0.00 C ATOM 310 OG SER A 22 -2.044 17.156 -4.325 1.00 0.00 O ATOM 0 H SER A 22 -2.304 14.654 -5.358 1.00 0.00 H new ATOM 0 HA SER A 22 0.512 15.430 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.286 17.650 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.507 16.918 -6.299 1.00 0.00 H new ATOM 0 HG SER A 22 -2.433 18.040 -4.491 1.00 0.00 H new ATOM 316 N SER A 23 0.872 16.102 -3.086 1.00 0.00 N ATOM 317 CA SER A 23 1.238 16.120 -1.671 1.00 0.00 C ATOM 318 C SER A 23 -0.018 16.236 -0.800 1.00 0.00 C ATOM 319 O SER A 23 -0.360 15.349 -0.011 1.00 0.00 O ATOM 320 CB SER A 23 2.242 17.254 -1.401 1.00 0.00 C ATOM 321 OG SER A 23 2.571 17.342 -0.027 1.00 0.00 O ATOM 0 H SER A 23 1.414 16.752 -3.655 1.00 0.00 H new ATOM 0 HA SER A 23 1.727 15.182 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.148 17.085 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.820 18.202 -1.736 1.00 0.00 H new ATOM 0 HG SER A 23 2.693 16.441 0.339 1.00 0.00 H new ATOM 327 N ASN A 24 -0.745 17.337 -0.994 1.00 0.00 N ATOM 328 CA ASN A 24 -1.929 17.626 -0.207 1.00 0.00 C ATOM 329 C ASN A 24 -3.009 16.573 -0.418 1.00 0.00 C ATOM 330 O ASN A 24 -3.703 16.209 0.524 1.00 0.00 O ATOM 331 CB ASN A 24 -2.445 19.031 -0.528 1.00 0.00 C ATOM 332 CG ASN A 24 -3.645 19.397 0.342 1.00 0.00 C ATOM 333 OD1 ASN A 24 -3.679 19.094 1.529 1.00 0.00 O ATOM 334 ND2 ASN A 24 -4.640 20.066 -0.235 1.00 0.00 N ATOM 0 H ASN A 24 -0.527 18.044 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.657 17.594 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.647 19.757 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.726 19.085 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.456 20.339 0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.587 20.306 -1.225 1.00 0.00 H new ATOM 341 N TYR A 25 -3.140 16.059 -1.638 1.00 0.00 N ATOM 342 CA TYR A 25 -4.077 14.986 -1.924 1.00 0.00 C ATOM 343 C TYR A 25 -3.839 13.777 -1.009 1.00 0.00 C ATOM 344 O TYR A 25 -4.773 13.219 -0.437 1.00 0.00 O ATOM 345 CB TYR A 25 -3.921 14.609 -3.390 1.00 0.00 C ATOM 346 CG TYR A 25 -5.034 13.747 -3.941 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.144 14.357 -4.552 1.00 0.00 C ATOM 348 CD2 TYR A 25 -4.868 12.352 -4.020 1.00 0.00 C ATOM 349 CE1 TYR A 25 -7.019 13.588 -5.334 1.00 0.00 C ATOM 350 CE2 TYR A 25 -5.740 11.586 -4.810 1.00 0.00 C ATOM 351 CZ TYR A 25 -6.767 12.220 -5.527 1.00 0.00 C ATOM 352 OH TYR A 25 -7.395 11.552 -6.532 1.00 0.00 O ATOM 0 H TYR A 25 -2.604 16.373 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.096 15.321 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.860 15.522 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.975 14.083 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.322 15.414 -4.420 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.070 11.871 -3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.885 14.047 -5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.621 10.514 -4.866 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.332 12.072 -7.360 1.00 0.00 H new ATOM 362 N CYS A 26 -2.577 13.379 -0.856 1.00 0.00 N ATOM 363 CA CYS A 26 -2.242 12.234 -0.006 1.00 0.00 C ATOM 364 C CYS A 26 -2.492 12.572 1.461 1.00 0.00 C ATOM 365 O CYS A 26 -3.067 11.781 2.210 1.00 0.00 O ATOM 366 CB CYS A 26 -0.791 11.822 -0.213 1.00 0.00 C ATOM 367 SG CYS A 26 -0.167 10.608 0.966 1.00 0.00 S ATOM 0 H CYS A 26 -1.776 13.826 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.882 11.397 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.684 11.417 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.165 12.713 -0.160 1.00 0.00 H new ATOM 372 N ASN A 27 -2.076 13.774 1.862 1.00 0.00 N ATOM 373 CA ASN A 27 -2.314 14.301 3.197 1.00 0.00 C ATOM 374 C ASN A 27 -3.800 14.200 3.568 1.00 0.00 C ATOM 375 O ASN A 27 -4.170 13.569 4.561 1.00 0.00 O ATOM 376 CB ASN A 27 -1.821 15.751 3.224 1.00 0.00 C ATOM 377 CG ASN A 27 -1.606 16.271 4.635 1.00 0.00 C ATOM 378 OD1 ASN A 27 -2.550 16.477 5.389 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.348 16.527 4.972 1.00 0.00 N ATOM 0 H ASN A 27 -1.559 14.413 1.258 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.770 13.716 3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.886 15.823 2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.545 16.386 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.135 16.912 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.405 16.339 4.311 1.00 0.00 H new ATOM 386 N LEU A 28 -4.665 14.799 2.743 1.00 0.00 N ATOM 387 CA LEU A 28 -6.098 14.806 2.987 1.00 0.00 C ATOM 388 C LEU A 28 -6.691 13.403 2.860 1.00 0.00 C ATOM 389 O LEU A 28 -7.624 13.087 3.594 1.00 0.00 O ATOM 390 CB LEU A 28 -6.827 15.892 2.177 1.00 0.00 C ATOM 391 CG LEU A 28 -6.922 15.661 0.661 1.00 0.00 C ATOM 392 CD1 LEU A 28 -8.157 14.842 0.257 1.00 0.00 C ATOM 393 CD2 LEU A 28 -6.983 17.011 -0.063 1.00 0.00 C ATOM 0 H LEU A 28 -4.386 15.289 1.893 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.263 15.095 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.838 15.993 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.322 16.843 2.347 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.035 15.096 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.169 14.712 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.120 13.865 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.060 15.367 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.050 16.845 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.859 17.565 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.083 17.584 0.160 1.00 0.00 H new ATOM 405 N MET A 29 -6.150 12.541 1.984 1.00 0.00 N ATOM 406 CA MET A 29 -6.543 11.137 1.967 1.00 0.00 C ATOM 407 C MET A 29 -6.344 10.541 3.361 1.00 0.00 C ATOM 408 O MET A 29 -7.299 10.046 3.951 1.00 0.00 O ATOM 409 CB MET A 29 -5.799 10.349 0.874 1.00 0.00 C ATOM 410 CG MET A 29 -6.281 8.893 0.746 1.00 0.00 C ATOM 411 SD MET A 29 -5.782 7.752 2.069 1.00 0.00 S ATOM 412 CE MET A 29 -6.613 6.244 1.535 1.00 0.00 C ATOM 0 H MET A 29 -5.448 12.795 1.289 1.00 0.00 H new ATOM 0 HA MET A 29 -7.600 11.064 1.712 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.930 10.854 -0.083 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.731 10.354 1.094 1.00 0.00 H new ATOM 0 HG2 MET A 29 -7.370 8.898 0.693 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.917 8.496 -0.202 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.406 5.443 2.245 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.688 6.418 1.488 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.249 5.958 0.548 1.00 0.00 H new ATOM 422 N MET A 30 -5.122 10.593 3.903 1.00 0.00 N ATOM 423 CA MET A 30 -4.851 10.019 5.216 1.00 0.00 C ATOM 424 C MET A 30 -5.737 10.634 6.301 1.00 0.00 C ATOM 425 O MET A 30 -6.247 9.911 7.160 1.00 0.00 O ATOM 426 CB MET A 30 -3.371 10.151 5.575 1.00 0.00 C ATOM 427 CG MET A 30 -2.519 9.173 4.764 1.00 0.00 C ATOM 428 SD MET A 30 -0.912 8.834 5.514 1.00 0.00 S ATOM 429 CE MET A 30 -0.303 7.572 4.383 1.00 0.00 C ATOM 0 H MET A 30 -4.314 11.024 3.453 1.00 0.00 H new ATOM 0 HA MET A 30 -5.095 8.958 5.163 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.037 11.171 5.387 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.233 9.962 6.640 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.064 8.236 4.650 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.367 9.578 3.763 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.680 7.234 4.710 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.993 6.728 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.227 7.989 3.379 1.00 0.00 H new ATOM 439 N CYS A 31 -5.928 11.956 6.260 1.00 0.00 N ATOM 440 CA CYS A 31 -6.837 12.631 7.180 1.00 0.00 C ATOM 441 C CYS A 31 -8.244 12.033 7.093 1.00 0.00 C ATOM 442 O CYS A 31 -8.776 11.560 8.094 1.00 0.00 O ATOM 443 CB CYS A 31 -6.866 14.133 6.904 1.00 0.00 C ATOM 444 SG CYS A 31 -8.017 14.886 8.075 1.00 0.00 S ATOM 0 H CYS A 31 -5.463 12.577 5.598 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.469 12.479 8.195 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.870 14.562 7.017 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.182 14.327 5.879 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.066 16.169 7.871 1.00 0.00 H new ATOM 450 N CYS A 32 -8.831 12.010 5.894 1.00 0.00 N ATOM 451 CA CYS A 32 -10.164 11.466 5.646 1.00 0.00 C ATOM 452 C CYS A 32 -10.265 10.006 6.099 1.00 0.00 C ATOM 453 O CYS A 32 -11.211 9.617 6.780 1.00 0.00 O ATOM 454 CB CYS A 32 -10.495 11.589 4.156 1.00 0.00 C ATOM 455 SG CYS A 32 -12.089 10.794 3.847 1.00 0.00 S ATOM 0 H CYS A 32 -8.383 12.376 5.054 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.886 12.039 6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.533 12.638 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.716 11.119 3.556 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.385 10.892 2.585 1.00 0.00 H new ATOM 461 N ARG A 33 -9.258 9.209 5.744 1.00 0.00 N ATOM 462 CA ARG A 33 -9.116 7.817 6.145 1.00 0.00 C ATOM 463 C ARG A 33 -8.964 7.677 7.669 1.00 0.00 C ATOM 464 O ARG A 33 -9.160 6.586 8.198 1.00 0.00 O ATOM 465 CB ARG A 33 -7.933 7.210 5.365 1.00 0.00 C ATOM 466 CG ARG A 33 -7.530 5.783 5.759 1.00 0.00 C ATOM 467 CD ARG A 33 -8.632 4.720 5.637 1.00 0.00 C ATOM 468 NE ARG A 33 -8.604 4.030 4.341 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.237 4.387 3.217 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.927 5.527 3.136 1.00 0.00 N ATOM 471 NH2 ARG A 33 -9.157 3.563 2.170 1.00 0.00 N ATOM 0 H ARG A 33 -8.494 9.529 5.149 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.021 7.262 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.182 7.216 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.067 7.860 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.688 5.479 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.177 5.797 6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.518 3.989 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.605 5.192 5.773 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.038 3.183 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.981 6.149 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.401 5.776 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.627 2.695 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.626 3.801 1.296 1.00 0.00 H new ATOM 485 N LYS A 34 -8.624 8.762 8.377 1.00 0.00 N ATOM 486 CA LYS A 34 -8.462 8.807 9.824 1.00 0.00 C ATOM 487 C LYS A 34 -7.207 8.033 10.243 1.00 0.00 C ATOM 488 O LYS A 34 -7.146 7.469 11.334 1.00 0.00 O ATOM 489 CB LYS A 34 -9.758 8.346 10.518 1.00 0.00 C ATOM 490 CG LYS A 34 -9.891 8.841 11.964 1.00 0.00 C ATOM 491 CD LYS A 34 -11.249 8.397 12.524 1.00 0.00 C ATOM 492 CE LYS A 34 -11.395 8.806 13.992 1.00 0.00 C ATOM 493 NZ LYS A 34 -12.706 8.400 14.529 1.00 0.00 N ATOM 0 H LYS A 34 -8.449 9.664 7.934 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.298 9.832 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.614 8.699 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.796 7.257 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.083 8.439 12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.807 9.927 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.052 8.842 11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.349 7.315 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.600 8.348 14.581 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.279 9.886 14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.778 8.690 15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.462 8.857 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.804 7.367 14.461 1.00 0.00 H new ATOM 507 N MET A 35 -6.174 8.050 9.391 1.00 0.00 N ATOM 508 CA MET A 35 -4.909 7.359 9.638 1.00 0.00 C ATOM 509 C MET A 35 -3.844 8.324 10.175 1.00 0.00 C ATOM 510 O MET A 35 -2.650 8.068 10.061 1.00 0.00 O ATOM 511 CB MET A 35 -4.489 6.582 8.374 1.00 0.00 C ATOM 512 CG MET A 35 -4.649 5.068 8.587 1.00 0.00 C ATOM 513 SD MET A 35 -6.299 4.504 9.093 1.00 0.00 S ATOM 514 CE MET A 35 -5.981 2.744 9.334 1.00 0.00 C ATOM 0 H MET A 35 -6.197 8.550 8.502 1.00 0.00 H new ATOM 0 HA MET A 35 -5.035 6.619 10.429 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.096 6.901 7.527 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.452 6.812 8.128 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.382 4.561 7.660 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.931 4.750 9.343 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.899 2.248 9.649 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.634 2.306 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.217 2.614 10.101 1.00 0.00 H new ATOM 524 N THR A 36 -4.275 9.406 10.825 1.00 0.00 N ATOM 525 CA THR A 36 -3.431 10.361 11.530 1.00 0.00 C ATOM 526 C THR A 36 -3.315 10.004 13.024 1.00 0.00 C ATOM 527 O THR A 36 -2.845 10.815 13.827 1.00 0.00 O ATOM 528 CB THR A 36 -4.076 11.737 11.320 1.00 0.00 C ATOM 529 OG1 THR A 36 -5.474 11.613 11.516 1.00 0.00 O ATOM 530 CG2 THR A 36 -3.836 12.226 9.887 1.00 0.00 C ATOM 0 H THR A 36 -5.265 9.647 10.874 1.00 0.00 H new ATOM 0 HA THR A 36 -2.411 10.351 11.145 1.00 0.00 H new ATOM 0 HB THR A 36 -3.639 12.446 12.023 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.901 12.486 11.387 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.300 13.203 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.764 12.305 9.704 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.273 11.518 9.183 1.00 0.00 H new ATOM 538 N GLN A 37 -3.758 8.800 13.407 1.00 0.00 N ATOM 539 CA GLN A 37 -3.676 8.284 14.761 1.00 0.00 C ATOM 540 C GLN A 37 -2.215 7.968 15.071 1.00 0.00 C ATOM 541 O GLN A 37 -1.542 7.305 14.286 1.00 0.00 O ATOM 542 CB GLN A 37 -4.569 7.043 14.892 1.00 0.00 C ATOM 543 CG GLN A 37 -4.535 6.469 16.315 1.00 0.00 C ATOM 544 CD GLN A 37 -5.543 5.337 16.487 1.00 0.00 C ATOM 545 OE1 GLN A 37 -5.174 4.171 16.563 1.00 0.00 O ATOM 546 NE2 GLN A 37 -6.827 5.673 16.559 1.00 0.00 N ATOM 0 H GLN A 37 -4.195 8.146 12.757 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.032 9.021 15.481 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.594 7.303 14.628 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.241 6.282 14.184 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.533 6.102 16.536 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.750 7.261 17.033 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.102 6.653 16.492 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.537 4.951 16.681 1.00 0.00 H new ATOM 555 N GLY A 38 -1.731 8.446 16.219 1.00 0.00 N ATOM 556 CA GLY A 38 -0.311 8.416 16.523 1.00 0.00 C ATOM 557 C GLY A 38 0.436 9.375 15.596 1.00 0.00 C ATOM 558 O GLY A 38 1.581 9.115 15.239 1.00 0.00 O ATOM 0 H GLY A 38 -2.309 8.858 16.951 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.146 8.698 17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.075 7.404 16.402 1.00 0.00 H new ATOM 562 N LYS A 39 -0.211 10.496 15.249 1.00 0.00 N ATOM 563 CA LYS A 39 0.245 11.475 14.292 1.00 0.00 C ATOM 564 C LYS A 39 0.284 10.902 12.872 1.00 0.00 C ATOM 565 O LYS A 39 -0.149 9.780 12.613 1.00 0.00 O ATOM 566 CB LYS A 39 1.567 12.103 14.736 1.00 0.00 C ATOM 567 CG LYS A 39 1.519 12.652 16.167 1.00 0.00 C ATOM 568 CD LYS A 39 2.835 13.343 16.557 1.00 0.00 C ATOM 569 CE LYS A 39 4.060 12.418 16.494 1.00 0.00 C ATOM 570 NZ LYS A 39 3.851 11.164 17.240 1.00 0.00 N ATOM 0 H LYS A 39 -1.112 10.744 15.658 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.481 12.287 14.259 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.359 11.357 14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.827 12.910 14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.696 13.361 16.257 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.316 11.837 16.862 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.999 14.194 15.895 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.741 13.739 17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.285 12.186 15.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.928 12.939 16.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.748 10.642 17.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.514 11.383 18.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.143 10.582 16.749 1.00 0.00 H new ATOM 584 N CYS A 40 0.746 11.719 11.927 1.00 0.00 N ATOM 585 CA CYS A 40 0.822 11.365 10.520 1.00 0.00 C ATOM 586 C CYS A 40 1.835 10.234 10.346 1.00 0.00 C ATOM 587 O CYS A 40 2.918 10.273 10.928 1.00 0.00 O ATOM 588 CB CYS A 40 1.185 12.616 9.716 1.00 0.00 C ATOM 589 SG CYS A 40 -0.082 13.908 9.828 1.00 0.00 S ATOM 0 H CYS A 40 1.083 12.661 12.126 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.136 11.002 10.148 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.135 13.012 10.076 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.329 12.343 8.671 1.00 0.00 H new ATOM 594 N LYS A 41 1.456 9.206 9.585 1.00 0.00 N ATOM 595 CA LYS A 41 2.234 7.986 9.419 1.00 0.00 C ATOM 596 C LYS A 41 3.592 8.267 8.757 1.00 0.00 C ATOM 597 O LYS A 41 3.788 9.331 8.170 1.00 0.00 O ATOM 598 CB LYS A 41 1.393 6.997 8.592 1.00 0.00 C ATOM 599 CG LYS A 41 0.165 6.489 9.361 1.00 0.00 C ATOM 600 CD LYS A 41 0.519 5.404 10.386 1.00 0.00 C ATOM 601 CE LYS A 41 -0.743 4.984 11.146 1.00 0.00 C ATOM 602 NZ LYS A 41 -0.451 3.923 12.125 1.00 0.00 N ATOM 0 H LYS A 41 0.582 9.202 9.058 1.00 0.00 H new ATOM 0 HA LYS A 41 2.459 7.554 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.067 7.482 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.014 6.149 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.311 7.326 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.563 6.092 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.956 4.542 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.268 5.779 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.166 5.848 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.495 4.633 10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.325 3.660 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.070 3.090 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.249 4.268 12.812 1.00 0.00 H new ATOM 616 N PRO A 42 4.542 7.318 8.827 1.00 0.00 N ATOM 617 CA PRO A 42 5.789 7.405 8.086 1.00 0.00 C ATOM 618 C PRO A 42 5.521 7.246 6.584 1.00 0.00 C ATOM 619 O PRO A 42 5.356 8.240 5.874 1.00 0.00 O ATOM 620 CB PRO A 42 6.701 6.324 8.682 1.00 0.00 C ATOM 621 CG PRO A 42 5.739 5.306 9.299 1.00 0.00 C ATOM 622 CD PRO A 42 4.531 6.153 9.701 1.00 0.00 C ATOM 0 HA PRO A 42 6.279 8.374 8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.326 5.865 7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.372 6.741 9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.465 4.529 8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.182 4.806 10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.605 5.589 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.596 6.451 10.748 1.00 0.00 H new ATOM 630 N VAL A 43 5.451 6.005 6.097 1.00 0.00 N ATOM 631 CA VAL A 43 5.270 5.649 4.699 1.00 0.00 C ATOM 632 C VAL A 43 3.991 4.825 4.545 1.00 0.00 C ATOM 633 O VAL A 43 3.622 4.088 5.459 1.00 0.00 O ATOM 634 CB VAL A 43 6.520 4.885 4.221 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.713 3.532 4.923 1.00 0.00 C ATOM 636 CG2 VAL A 43 6.516 4.670 2.701 1.00 0.00 C ATOM 0 H VAL A 43 5.523 5.186 6.701 1.00 0.00 H new ATOM 0 HA VAL A 43 5.158 6.538 4.079 1.00 0.00 H new ATOM 0 HB VAL A 43 7.359 5.525 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.611 3.048 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.817 3.691 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.848 2.896 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.415 4.128 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.636 4.093 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.494 5.636 2.197 1.00 0.00 H new ATOM 646 N ASN A 44 3.325 4.938 3.394 1.00 0.00 N ATOM 647 CA ASN A 44 2.239 4.047 2.998 1.00 0.00 C ATOM 648 C ASN A 44 2.212 4.009 1.473 1.00 0.00 C ATOM 649 O ASN A 44 2.809 4.871 0.826 1.00 0.00 O ATOM 650 CB ASN A 44 0.897 4.520 3.579 1.00 0.00 C ATOM 651 CG ASN A 44 -0.198 3.449 3.507 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.248 2.547 4.339 1.00 0.00 O ATOM 653 ND2 ASN A 44 -1.098 3.538 2.531 1.00 0.00 N ATOM 0 H ASN A 44 3.529 5.661 2.704 1.00 0.00 H new ATOM 0 HA ASN A 44 2.404 3.044 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.041 4.815 4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.566 5.407 3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.847 2.849 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.039 4.295 1.850 1.00 0.00 H new ATOM 660 N THR A 45 1.531 3.021 0.899 1.00 0.00 N ATOM 661 CA THR A 45 1.446 2.845 -0.539 1.00 0.00 C ATOM 662 C THR A 45 -0.003 2.521 -0.869 1.00 0.00 C ATOM 663 O THR A 45 -0.558 1.599 -0.277 1.00 0.00 O ATOM 664 CB THR A 45 2.395 1.721 -0.970 1.00 0.00 C ATOM 665 OG1 THR A 45 3.684 1.961 -0.445 1.00 0.00 O ATOM 666 CG2 THR A 45 2.457 1.593 -2.499 1.00 0.00 C ATOM 0 H THR A 45 1.019 2.315 1.429 1.00 0.00 H new ATOM 0 HA THR A 45 1.746 3.745 -1.076 1.00 0.00 H new ATOM 0 HB THR A 45 2.012 0.780 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.093 1.111 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.139 0.787 -2.769 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.462 1.372 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.814 2.529 -2.928 1.00 0.00 H new ATOM 674 N PHE A 46 -0.599 3.288 -1.782 1.00 0.00 N ATOM 675 CA PHE A 46 -1.971 3.132 -2.229 1.00 0.00 C ATOM 676 C PHE A 46 -1.960 2.451 -3.594 1.00 0.00 C ATOM 677 O PHE A 46 -1.478 3.027 -4.575 1.00 0.00 O ATOM 678 CB PHE A 46 -2.658 4.497 -2.276 1.00 0.00 C ATOM 679 CG PHE A 46 -2.611 5.226 -0.947 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.375 4.754 0.136 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.729 6.309 -0.761 1.00 0.00 C ATOM 682 CE1 PHE A 46 -3.305 5.398 1.380 1.00 0.00 C ATOM 683 CE2 PHE A 46 -1.673 6.964 0.481 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.476 6.519 1.546 1.00 0.00 C ATOM 0 H PHE A 46 -0.117 4.060 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.536 2.510 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.182 5.112 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.698 4.365 -2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.016 3.894 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.096 6.636 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.889 5.031 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.014 7.808 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.455 7.040 2.492 1.00 0.00 H new ATOM 694 N VAL A 47 -2.461 1.217 -3.640 1.00 0.00 N ATOM 695 CA VAL A 47 -2.502 0.388 -4.830 1.00 0.00 C ATOM 696 C VAL A 47 -3.694 0.799 -5.695 1.00 0.00 C ATOM 697 O VAL A 47 -4.836 0.461 -5.374 1.00 0.00 O ATOM 698 CB VAL A 47 -2.564 -1.099 -4.428 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.591 -2.007 -5.663 1.00 0.00 C ATOM 700 CG2 VAL A 47 -1.353 -1.493 -3.574 1.00 0.00 C ATOM 0 H VAL A 47 -2.860 0.758 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.596 0.530 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.481 -1.229 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.635 -3.049 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.468 -1.774 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.690 -1.844 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.424 -2.547 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.438 -1.324 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.335 -0.888 -2.667 1.00 0.00 H new ATOM 710 N HIS A 48 -3.446 1.496 -6.808 1.00 0.00 N ATOM 711 CA HIS A 48 -4.508 1.934 -7.707 1.00 0.00 C ATOM 712 C HIS A 48 -4.916 0.790 -8.636 1.00 0.00 C ATOM 713 O HIS A 48 -4.854 0.929 -9.855 1.00 0.00 O ATOM 714 CB HIS A 48 -4.080 3.177 -8.504 1.00 0.00 C ATOM 715 CG HIS A 48 -3.820 4.448 -7.727 1.00 0.00 C ATOM 716 ND1 HIS A 48 -3.658 5.695 -8.303 1.00 0.00 N ATOM 717 CD2 HIS A 48 -3.757 4.603 -6.369 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.513 6.592 -7.311 1.00 0.00 C ATOM 719 NE2 HIS A 48 -3.568 5.950 -6.130 1.00 0.00 N ATOM 0 H HIS A 48 -2.509 1.769 -7.106 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.375 2.215 -7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.173 2.928 -9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.854 3.386 -9.242 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.839 3.822 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.375 7.655 -7.442 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.484 6.385 -5.211 1.00 0.00 H new ATOM 728 N GLU A 49 -5.347 -0.332 -8.053 1.00 0.00 N ATOM 729 CA GLU A 49 -5.807 -1.509 -8.784 1.00 0.00 C ATOM 730 C GLU A 49 -7.007 -2.145 -8.079 1.00 0.00 C ATOM 731 O GLU A 49 -7.149 -2.032 -6.863 1.00 0.00 O ATOM 732 CB GLU A 49 -4.691 -2.556 -8.905 1.00 0.00 C ATOM 733 CG GLU A 49 -3.351 -2.030 -9.436 1.00 0.00 C ATOM 734 CD GLU A 49 -3.395 -1.534 -10.883 1.00 0.00 C ATOM 735 OE1 GLU A 49 -4.368 -1.884 -11.588 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.429 -0.839 -11.269 1.00 0.00 O ATOM 0 H GLU A 49 -5.385 -0.447 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.098 -1.180 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.525 -3.000 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.035 -3.355 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.015 -1.215 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.607 -2.823 -9.359 1.00 0.00 H new ATOM 743 N SER A 50 -7.859 -2.822 -8.850 1.00 0.00 N ATOM 744 CA SER A 50 -9.073 -3.471 -8.385 1.00 0.00 C ATOM 745 C SER A 50 -8.788 -4.593 -7.380 1.00 0.00 C ATOM 746 O SER A 50 -7.747 -5.244 -7.439 1.00 0.00 O ATOM 747 CB SER A 50 -9.799 -4.022 -9.619 1.00 0.00 C ATOM 748 OG SER A 50 -9.696 -3.082 -10.673 1.00 0.00 O ATOM 0 H SER A 50 -7.711 -2.934 -9.853 1.00 0.00 H new ATOM 0 HA SER A 50 -9.691 -2.745 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.361 -4.974 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.847 -4.213 -9.386 1.00 0.00 H new ATOM 0 HG SER A 50 -10.156 -3.428 -11.466 1.00 0.00 H new ATOM 754 N LEU A 51 -9.749 -4.873 -6.494 1.00 0.00 N ATOM 755 CA LEU A 51 -9.633 -5.913 -5.472 1.00 0.00 C ATOM 756 C LEU A 51 -9.251 -7.254 -6.116 1.00 0.00 C ATOM 757 O LEU A 51 -8.299 -7.914 -5.704 1.00 0.00 O ATOM 758 CB LEU A 51 -10.963 -5.995 -4.697 1.00 0.00 C ATOM 759 CG LEU A 51 -10.855 -6.431 -3.225 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.121 -7.762 -3.046 1.00 0.00 C ATOM 761 CD2 LEU A 51 -10.211 -5.343 -2.356 1.00 0.00 C ATOM 0 H LEU A 51 -10.640 -4.376 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.839 -5.666 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.443 -5.017 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.621 -6.692 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.880 -6.583 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.078 -8.014 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.653 -8.546 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.108 -7.675 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.153 -5.689 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.208 -5.130 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.815 -4.437 -2.401 1.00 0.00 H new ATOM 773 N ALA A 52 -9.972 -7.632 -7.176 1.00 0.00 N ATOM 774 CA ALA A 52 -9.674 -8.827 -7.954 1.00 0.00 C ATOM 775 C ALA A 52 -8.221 -8.836 -8.431 1.00 0.00 C ATOM 776 O ALA A 52 -7.555 -9.866 -8.364 1.00 0.00 O ATOM 777 CB ALA A 52 -10.640 -8.929 -9.139 1.00 0.00 C ATOM 0 H ALA A 52 -10.781 -7.112 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.808 -9.698 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.413 -9.824 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.664 -8.986 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.531 -8.050 -9.774 1.00 0.00 H new ATOM 783 N ASP A 53 -7.719 -7.684 -8.884 1.00 0.00 N ATOM 784 CA ASP A 53 -6.316 -7.528 -9.226 1.00 0.00 C ATOM 785 C ASP A 53 -5.413 -7.811 -8.033 1.00 0.00 C ATOM 786 O ASP A 53 -4.489 -8.607 -8.143 1.00 0.00 O ATOM 787 CB ASP A 53 -6.037 -6.145 -9.818 1.00 0.00 C ATOM 788 CG ASP A 53 -4.817 -6.201 -10.725 1.00 0.00 C ATOM 789 OD1 ASP A 53 -3.710 -6.133 -10.150 1.00 0.00 O ATOM 790 OD2 ASP A 53 -5.008 -6.328 -11.953 1.00 0.00 O ATOM 0 H ASP A 53 -8.277 -6.841 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.085 -8.268 -9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.904 -5.801 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.872 -5.425 -9.017 1.00 0.00 H new ATOM 795 N VAL A 54 -5.683 -7.185 -6.887 1.00 0.00 N ATOM 796 CA VAL A 54 -4.875 -7.389 -5.689 1.00 0.00 C ATOM 797 C VAL A 54 -4.816 -8.882 -5.339 1.00 0.00 C ATOM 798 O VAL A 54 -3.748 -9.415 -5.030 1.00 0.00 O ATOM 799 CB VAL A 54 -5.396 -6.516 -4.533 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.683 -6.834 -3.211 1.00 0.00 C ATOM 801 CG2 VAL A 54 -5.180 -5.034 -4.867 1.00 0.00 C ATOM 0 H VAL A 54 -6.457 -6.532 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.850 -7.070 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.458 -6.732 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.080 -6.196 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.848 -7.880 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.614 -6.652 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.550 -4.419 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.116 -4.845 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.720 -4.784 -5.780 1.00 0.00 H new ATOM 811 N LYS A 55 -5.949 -9.583 -5.408 1.00 0.00 N ATOM 812 CA LYS A 55 -5.958 -11.008 -5.161 1.00 0.00 C ATOM 813 C LYS A 55 -5.193 -11.779 -6.239 1.00 0.00 C ATOM 814 O LYS A 55 -4.424 -12.685 -5.918 1.00 0.00 O ATOM 815 CB LYS A 55 -7.403 -11.493 -5.056 1.00 0.00 C ATOM 816 CG LYS A 55 -8.124 -10.906 -3.840 1.00 0.00 C ATOM 817 CD LYS A 55 -9.415 -11.660 -3.480 1.00 0.00 C ATOM 818 CE LYS A 55 -10.475 -11.665 -4.591 1.00 0.00 C ATOM 819 NZ LYS A 55 -10.238 -12.719 -5.597 1.00 0.00 N ATOM 0 H LYS A 55 -6.860 -9.183 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.444 -11.200 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.943 -11.220 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.415 -12.581 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.450 -10.922 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.364 -9.861 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.162 -12.691 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.846 -11.212 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.460 -11.806 -4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.484 -10.693 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.041 -12.281 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.424 -13.298 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.082 -13.322 -5.673 1.00 0.00 H new ATOM 833 N ALA A 56 -5.388 -11.429 -7.513 1.00 0.00 N ATOM 834 CA ALA A 56 -4.628 -12.036 -8.595 1.00 0.00 C ATOM 835 C ALA A 56 -3.138 -11.931 -8.283 1.00 0.00 C ATOM 836 O ALA A 56 -2.457 -12.947 -8.239 1.00 0.00 O ATOM 837 CB ALA A 56 -4.982 -11.399 -9.943 1.00 0.00 C ATOM 0 H ALA A 56 -6.066 -10.729 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.889 -13.091 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.399 -11.872 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.044 -11.538 -10.143 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.755 -10.333 -9.913 1.00 0.00 H new ATOM 843 N VAL A 57 -2.654 -10.722 -7.995 1.00 0.00 N ATOM 844 CA VAL A 57 -1.286 -10.443 -7.576 1.00 0.00 C ATOM 845 C VAL A 57 -0.865 -11.344 -6.414 1.00 0.00 C ATOM 846 O VAL A 57 0.171 -12.003 -6.494 1.00 0.00 O ATOM 847 CB VAL A 57 -1.164 -8.954 -7.215 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.183 -8.639 -6.547 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.277 -8.096 -8.484 1.00 0.00 C ATOM 0 H VAL A 57 -3.228 -9.881 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.606 -10.662 -8.399 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.970 -8.726 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.231 -7.577 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.280 -9.222 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.995 -8.894 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.190 -7.042 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.479 -8.364 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.243 -8.272 -8.958 1.00 0.00 H new ATOM 859 N CYS A 58 -1.661 -11.392 -5.339 1.00 0.00 N ATOM 860 CA CYS A 58 -1.376 -12.291 -4.220 1.00 0.00 C ATOM 861 C CYS A 58 -1.154 -13.723 -4.709 1.00 0.00 C ATOM 862 O CYS A 58 -0.318 -14.434 -4.165 1.00 0.00 O ATOM 863 CB CYS A 58 -2.498 -12.267 -3.179 1.00 0.00 C ATOM 864 SG CYS A 58 -2.290 -13.484 -1.852 1.00 0.00 S ATOM 0 H CYS A 58 -2.500 -10.823 -5.223 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.461 -11.933 -3.747 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.553 -11.271 -2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.449 -12.448 -3.679 1.00 0.00 H new ATOM 869 N SER A 59 -1.873 -14.133 -5.756 1.00 0.00 N ATOM 870 CA SER A 59 -1.745 -15.455 -6.354 1.00 0.00 C ATOM 871 C SER A 59 -0.996 -15.414 -7.698 1.00 0.00 C ATOM 872 O SER A 59 -1.275 -16.232 -8.572 1.00 0.00 O ATOM 873 CB SER A 59 -3.149 -16.066 -6.475 1.00 0.00 C ATOM 874 OG SER A 59 -3.096 -17.479 -6.406 1.00 0.00 O ATOM 0 H SER A 59 -2.569 -13.545 -6.215 1.00 0.00 H new ATOM 0 HA SER A 59 -1.134 -16.091 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.786 -15.683 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.602 -15.761 -7.419 1.00 0.00 H new ATOM 0 HG SER A 59 -4.002 -17.845 -6.484 1.00 0.00 H new ATOM 880 N GLN A 60 -0.044 -14.485 -7.874 1.00 0.00 N ATOM 881 CA GLN A 60 0.862 -14.506 -9.019 1.00 0.00 C ATOM 882 C GLN A 60 2.132 -15.271 -8.639 1.00 0.00 C ATOM 883 O GLN A 60 2.081 -16.493 -8.506 1.00 0.00 O ATOM 884 CB GLN A 60 1.121 -13.103 -9.607 1.00 0.00 C ATOM 885 CG GLN A 60 0.019 -12.674 -10.595 1.00 0.00 C ATOM 886 CD GLN A 60 0.331 -11.339 -11.268 1.00 0.00 C ATOM 887 OE1 GLN A 60 1.078 -10.528 -10.734 1.00 0.00 O ATOM 888 NE2 GLN A 60 -0.193 -11.091 -12.463 1.00 0.00 N ATOM 0 H GLN A 60 0.114 -13.709 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 60 0.386 -15.041 -9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.183 -12.377 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.085 -13.096 -10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.102 -13.443 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.931 -12.598 -10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.814 -11.773 -12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.025 -10.219 -12.945 1.00 0.00 H new ATOM 897 N LYS A 61 3.280 -14.599 -8.491 1.00 0.00 N ATOM 898 CA LYS A 61 4.553 -15.301 -8.418 1.00 0.00 C ATOM 899 C LYS A 61 5.028 -15.413 -6.974 1.00 0.00 C ATOM 900 O LYS A 61 5.625 -14.491 -6.423 1.00 0.00 O ATOM 901 CB LYS A 61 5.570 -14.633 -9.347 1.00 0.00 C ATOM 902 CG LYS A 61 6.430 -15.636 -10.130 1.00 0.00 C ATOM 903 CD LYS A 61 7.307 -16.498 -9.215 1.00 0.00 C ATOM 904 CE LYS A 61 8.133 -17.491 -10.037 1.00 0.00 C ATOM 905 NZ LYS A 61 8.965 -18.334 -9.162 1.00 0.00 N ATOM 0 H LYS A 61 3.347 -13.584 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 61 4.430 -16.325 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.041 -13.991 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.222 -13.989 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.781 -16.283 -10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.065 -15.095 -10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.971 -15.860 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.680 -17.038 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.469 -18.120 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.768 -16.949 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.516 -18.999 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.614 -17.733 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.354 -18.867 -8.510 1.00 0.00 H new ATOM 919 N LYS A 62 4.777 -16.581 -6.386 1.00 0.00 N ATOM 920 CA LYS A 62 5.312 -16.964 -5.088 1.00 0.00 C ATOM 921 C LYS A 62 6.839 -16.855 -5.116 1.00 0.00 C ATOM 922 O LYS A 62 7.482 -17.420 -6.000 1.00 0.00 O ATOM 923 CB LYS A 62 4.867 -18.394 -4.746 1.00 0.00 C ATOM 924 CG LYS A 62 5.205 -18.759 -3.292 1.00 0.00 C ATOM 925 CD LYS A 62 4.975 -20.248 -2.994 1.00 0.00 C ATOM 926 CE LYS A 62 3.504 -20.656 -3.128 1.00 0.00 C ATOM 927 NZ LYS A 62 3.302 -22.061 -2.729 1.00 0.00 N ATOM 0 H LYS A 62 4.186 -17.297 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 62 4.931 -16.295 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.793 -18.489 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.353 -19.098 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.246 -18.507 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.595 -18.158 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.578 -20.848 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.319 -20.470 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.886 -20.007 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.178 -20.517 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.297 -22.309 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.875 -22.680 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.592 -22.185 -1.738 1.00 0.00 H new ATOM 941 N VAL A 63 7.411 -16.138 -4.147 1.00 0.00 N ATOM 942 CA VAL A 63 8.841 -15.966 -3.956 1.00 0.00 C ATOM 943 C VAL A 63 9.104 -15.845 -2.449 1.00 0.00 C ATOM 944 O VAL A 63 8.193 -16.000 -1.639 1.00 0.00 O ATOM 945 CB VAL A 63 9.356 -14.735 -4.742 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.230 -14.916 -6.258 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.643 -13.435 -4.346 1.00 0.00 C ATOM 0 H VAL A 63 6.860 -15.642 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 63 9.387 -16.825 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 63 10.409 -14.656 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.604 -14.026 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.813 -15.783 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.183 -15.069 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.046 -12.607 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.575 -13.532 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.801 -13.242 -3.285 1.00 0.00 H new ATOM 957 N THR A 64 10.339 -15.531 -2.065 1.00 0.00 N ATOM 958 CA THR A 64 10.691 -15.122 -0.716 1.00 0.00 C ATOM 959 C THR A 64 11.408 -13.795 -0.896 1.00 0.00 C ATOM 960 O THR A 64 12.316 -13.714 -1.721 1.00 0.00 O ATOM 961 CB THR A 64 11.586 -16.169 -0.049 1.00 0.00 C ATOM 962 OG1 THR A 64 10.932 -17.422 -0.063 1.00 0.00 O ATOM 963 CG2 THR A 64 11.908 -15.785 1.399 1.00 0.00 C ATOM 0 H THR A 64 11.137 -15.556 -2.700 1.00 0.00 H new ATOM 0 HA THR A 64 9.823 -15.024 -0.065 1.00 0.00 H new ATOM 0 HB THR A 64 12.521 -16.223 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.504 -18.094 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.545 -16.549 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.426 -14.826 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.982 -15.707 1.969 1.00 0.00 H new ATOM 971 N CYS A 65 10.989 -12.744 -0.188 1.00 0.00 N ATOM 972 CA CYS A 65 11.672 -11.475 -0.298 1.00 0.00 C ATOM 973 C CYS A 65 13.072 -11.655 0.280 1.00 0.00 C ATOM 974 O CYS A 65 13.242 -12.308 1.311 1.00 0.00 O ATOM 975 CB CYS A 65 10.948 -10.376 0.462 1.00 0.00 C ATOM 976 SG CYS A 65 9.245 -9.952 0.023 1.00 0.00 S ATOM 0 H CYS A 65 10.195 -12.754 0.453 1.00 0.00 H new ATOM 0 HA CYS A 65 11.706 -11.176 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.953 -10.652 1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.544 -9.468 0.367 1.00 0.00 H new ATOM 981 N LYS A 66 14.058 -11.056 -0.384 1.00 0.00 N ATOM 982 CA LYS A 66 15.479 -11.299 -0.153 1.00 0.00 C ATOM 983 C LYS A 66 15.860 -11.154 1.324 1.00 0.00 C ATOM 984 O LYS A 66 16.701 -11.897 1.822 1.00 0.00 O ATOM 985 CB LYS A 66 16.308 -10.391 -1.073 1.00 0.00 C ATOM 986 CG LYS A 66 17.788 -10.803 -1.093 1.00 0.00 C ATOM 987 CD LYS A 66 18.626 -9.969 -2.075 1.00 0.00 C ATOM 988 CE LYS A 66 18.254 -10.238 -3.540 1.00 0.00 C ATOM 989 NZ LYS A 66 19.201 -9.587 -4.462 1.00 0.00 N ATOM 0 H LYS A 66 13.885 -10.369 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 66 15.704 -12.336 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.905 -10.432 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.222 -9.357 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.203 -10.700 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.863 -11.857 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.488 -8.910 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.683 -10.190 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.245 -11.312 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.245 -9.873 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.923 -9.787 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.191 -8.559 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.159 -9.954 -4.292 1.00 0.00 H new ATOM 1003 N ASP A 67 15.225 -10.208 2.019 1.00 0.00 N ATOM 1004 CA ASP A 67 15.309 -10.068 3.466 1.00 0.00 C ATOM 1005 C ASP A 67 13.916 -9.820 4.041 1.00 0.00 C ATOM 1006 O ASP A 67 13.673 -8.827 4.721 1.00 0.00 O ATOM 1007 CB ASP A 67 16.360 -9.017 3.847 1.00 0.00 C ATOM 1008 CG ASP A 67 17.276 -9.502 4.967 1.00 0.00 C ATOM 1009 OD1 ASP A 67 16.728 -9.899 6.018 1.00 0.00 O ATOM 1010 OD2 ASP A 67 18.507 -9.461 4.756 1.00 0.00 O ATOM 0 H ASP A 67 14.628 -9.507 1.580 1.00 0.00 H new ATOM 0 HA ASP A 67 15.660 -10.994 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.959 -8.770 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.859 -8.101 4.160 1.00 0.00 H new ATOM 1015 N GLY A 68 12.989 -10.727 3.724 1.00 0.00 N ATOM 1016 CA GLY A 68 11.628 -10.653 4.210 1.00 0.00 C ATOM 1017 C GLY A 68 11.485 -11.362 5.547 1.00 0.00 C ATOM 1018 O GLY A 68 11.977 -10.905 6.574 1.00 0.00 O ATOM 0 H GLY A 68 13.171 -11.530 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.332 -9.609 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.954 -11.104 3.482 1.00 0.00 H new ATOM 1022 N GLN A 69 10.752 -12.475 5.514 1.00 0.00 N ATOM 1023 CA GLN A 69 10.267 -13.172 6.691 1.00 0.00 C ATOM 1024 C GLN A 69 9.705 -14.535 6.288 1.00 0.00 C ATOM 1025 O GLN A 69 9.990 -15.547 6.920 1.00 0.00 O ATOM 1026 CB GLN A 69 9.179 -12.307 7.331 1.00 0.00 C ATOM 1027 CG GLN A 69 8.796 -12.794 8.733 1.00 0.00 C ATOM 1028 CD GLN A 69 7.625 -12.007 9.318 1.00 0.00 C ATOM 1029 OE1 GLN A 69 7.261 -10.944 8.825 1.00 0.00 O ATOM 1030 NE2 GLN A 69 7.004 -12.534 10.369 1.00 0.00 N ATOM 0 H GLN A 69 10.475 -12.924 4.641 1.00 0.00 H new ATOM 0 HA GLN A 69 11.075 -13.339 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.526 -11.275 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.295 -12.310 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.535 -13.851 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.658 -12.705 9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.326 -13.419 10.761 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.206 -12.053 10.784 1.00 0.00 H new ATOM 1039 N THR A 70 8.867 -14.540 5.249 1.00 0.00 N ATOM 1040 CA THR A 70 8.181 -15.723 4.755 1.00 0.00 C ATOM 1041 C THR A 70 7.908 -15.556 3.263 1.00 0.00 C ATOM 1042 O THR A 70 8.556 -14.763 2.577 1.00 0.00 O ATOM 1043 CB THR A 70 6.911 -15.980 5.597 1.00 0.00 C ATOM 1044 OG1 THR A 70 6.214 -17.165 5.234 1.00 0.00 O ATOM 1045 CG2 THR A 70 5.926 -14.805 5.578 1.00 0.00 C ATOM 0 H THR A 70 8.645 -13.697 4.719 1.00 0.00 H new ATOM 0 HA THR A 70 8.802 -16.612 4.864 1.00 0.00 H new ATOM 0 HB THR A 70 7.298 -16.104 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.424 -17.268 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.056 -15.049 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.412 -13.916 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.608 -14.613 4.553 1.00 0.00 H new ATOM 1053 N ASN A 71 6.940 -16.331 2.790 1.00 0.00 N ATOM 1054 CA ASN A 71 6.559 -16.522 1.420 1.00 0.00 C ATOM 1055 C ASN A 71 5.925 -15.241 0.885 1.00 0.00 C ATOM 1056 O ASN A 71 4.784 -14.900 1.194 1.00 0.00 O ATOM 1057 CB ASN A 71 5.685 -17.780 1.275 1.00 0.00 C ATOM 1058 CG ASN A 71 4.288 -17.689 1.896 1.00 0.00 C ATOM 1059 OD1 ASN A 71 3.295 -17.782 1.183 1.00 0.00 O ATOM 1060 ND2 ASN A 71 4.158 -17.574 3.218 1.00 0.00 N ATOM 0 H ASN A 71 6.359 -16.884 3.420 1.00 0.00 H new ATOM 0 HA ASN A 71 7.434 -16.711 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.578 -18.006 0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.211 -18.620 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.230 -17.563 3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.987 -17.497 3.807 1.00 0.00 H new ATOM 1067 N CYS A 72 6.722 -14.509 0.115 1.00 0.00 N ATOM 1068 CA CYS A 72 6.312 -13.295 -0.564 1.00 0.00 C ATOM 1069 C CYS A 72 5.635 -13.663 -1.880 1.00 0.00 C ATOM 1070 O CYS A 72 5.723 -14.802 -2.336 1.00 0.00 O ATOM 1071 CB CYS A 72 7.507 -12.357 -0.766 1.00 0.00 C ATOM 1072 SG CYS A 72 8.031 -11.486 0.730 1.00 0.00 S ATOM 0 H CYS A 72 7.697 -14.754 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 72 5.592 -12.752 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.348 -12.936 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.252 -11.622 -1.530 1.00 0.00 H new ATOM 1077 N TYR A 73 4.949 -12.700 -2.490 1.00 0.00 N ATOM 1078 CA TYR A 73 4.327 -12.850 -3.790 1.00 0.00 C ATOM 1079 C TYR A 73 4.650 -11.610 -4.612 1.00 0.00 C ATOM 1080 O TYR A 73 4.209 -10.503 -4.291 1.00 0.00 O ATOM 1081 CB TYR A 73 2.821 -13.091 -3.660 1.00 0.00 C ATOM 1082 CG TYR A 73 2.494 -14.406 -2.985 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.466 -14.480 -1.583 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.303 -15.572 -3.750 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.275 -15.714 -0.946 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.044 -16.795 -3.112 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.048 -16.869 -1.710 1.00 0.00 C ATOM 1088 OH TYR A 73 1.870 -18.074 -1.100 1.00 0.00 O ATOM 0 H TYR A 73 4.811 -11.776 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 73 4.722 -13.728 -4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.375 -12.275 -3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.368 -13.074 -4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.592 -13.584 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.356 -15.526 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.303 -15.776 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.842 -17.679 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 73 2.133 -18.006 -0.158 1.00 0.00 H new ATOM 1098 N GLN A 74 5.477 -11.810 -5.635 1.00 0.00 N ATOM 1099 CA GLN A 74 5.786 -10.831 -6.653 1.00 0.00 C ATOM 1100 C GLN A 74 4.615 -10.703 -7.617 1.00 0.00 C ATOM 1101 O GLN A 74 3.971 -11.687 -7.997 1.00 0.00 O ATOM 1102 CB GLN A 74 7.088 -11.251 -7.348 1.00 0.00 C ATOM 1103 CG GLN A 74 7.339 -10.753 -8.779 1.00 0.00 C ATOM 1104 CD GLN A 74 7.636 -9.259 -8.835 1.00 0.00 C ATOM 1105 OE1 GLN A 74 7.027 -8.472 -8.119 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.594 -8.858 -9.665 1.00 0.00 N ATOM 0 H GLN A 74 5.965 -12.695 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 74 5.939 -9.844 -6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.920 -10.916 -6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.121 -12.340 -7.364 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.176 -11.303 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.465 -10.970 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.082 -9.538 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.841 -7.870 -9.719 1.00 0.00 H new ATOM 1115 N SER A 75 4.411 -9.464 -8.049 1.00 0.00 N ATOM 1116 CA SER A 75 3.500 -9.120 -9.121 1.00 0.00 C ATOM 1117 C SER A 75 4.218 -9.457 -10.424 1.00 0.00 C ATOM 1118 O SER A 75 5.202 -8.811 -10.781 1.00 0.00 O ATOM 1119 CB SER A 75 3.107 -7.640 -9.038 1.00 0.00 C ATOM 1120 OG SER A 75 1.862 -7.387 -9.651 1.00 0.00 O ATOM 0 H SER A 75 4.888 -8.655 -7.651 1.00 0.00 H new ATOM 0 HA SER A 75 2.567 -9.680 -9.055 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.065 -7.335 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.876 -7.034 -9.516 1.00 0.00 H new ATOM 0 HG SER A 75 2.007 -7.001 -10.540 1.00 0.00 H new ATOM 1126 N LYS A 76 3.761 -10.500 -11.110 1.00 0.00 N ATOM 1127 CA LYS A 76 4.310 -10.915 -12.390 1.00 0.00 C ATOM 1128 C LYS A 76 4.104 -9.812 -13.424 1.00 0.00 C ATOM 1129 O LYS A 76 4.959 -9.607 -14.283 1.00 0.00 O ATOM 1130 CB LYS A 76 3.682 -12.254 -12.801 1.00 0.00 C ATOM 1131 CG LYS A 76 4.527 -12.987 -13.848 1.00 0.00 C ATOM 1132 CD LYS A 76 3.879 -14.340 -14.178 1.00 0.00 C ATOM 1133 CE LYS A 76 4.738 -15.171 -15.138 1.00 0.00 C ATOM 1134 NZ LYS A 76 6.002 -15.605 -14.513 1.00 0.00 N ATOM 0 H LYS A 76 2.991 -11.085 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 76 5.386 -11.074 -12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.567 -12.886 -11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.683 -12.079 -13.200 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.610 -12.382 -14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.539 -13.139 -13.472 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.721 -14.900 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.898 -14.173 -14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.175 -16.046 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.957 -14.583 -16.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.481 -16.286 -15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.617 -14.780 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.800 -16.056 -13.598 1.00 0.00 H new ATOM 1148 N SER A 77 2.989 -9.088 -13.320 1.00 0.00 N ATOM 1149 CA SER A 77 2.738 -7.882 -14.079 1.00 0.00 C ATOM 1150 C SER A 77 3.044 -6.659 -13.208 1.00 0.00 C ATOM 1151 O SER A 77 2.977 -6.723 -11.984 1.00 0.00 O ATOM 1152 CB SER A 77 1.281 -7.898 -14.562 1.00 0.00 C ATOM 1153 OG SER A 77 0.431 -8.535 -13.617 1.00 0.00 O ATOM 0 H SER A 77 2.226 -9.336 -12.691 1.00 0.00 H new ATOM 0 HA SER A 77 3.386 -7.831 -14.954 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.940 -6.876 -14.730 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.218 -8.417 -15.519 1.00 0.00 H new ATOM 0 HG SER A 77 -0.428 -8.745 -14.039 1.00 0.00 H new ATOM 1159 N THR A 78 3.378 -5.536 -13.837 1.00 0.00 N ATOM 1160 CA THR A 78 3.511 -4.237 -13.205 1.00 0.00 C ATOM 1161 C THR A 78 2.115 -3.677 -12.911 1.00 0.00 C ATOM 1162 O THR A 78 1.148 -4.074 -13.558 1.00 0.00 O ATOM 1163 CB THR A 78 4.274 -3.358 -14.205 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.680 -3.497 -15.482 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.727 -3.829 -14.351 1.00 0.00 C ATOM 0 H THR A 78 3.570 -5.510 -14.838 1.00 0.00 H new ATOM 0 HA THR A 78 4.046 -4.282 -12.257 1.00 0.00 H new ATOM 0 HB THR A 78 4.242 -2.331 -13.842 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.159 -2.938 -16.128 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.247 -3.190 -15.065 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.226 -3.773 -13.384 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.742 -4.859 -14.708 1.00 0.00 H new ATOM 1173 N MET A 79 2.013 -2.773 -11.931 1.00 0.00 N ATOM 1174 CA MET A 79 0.795 -2.075 -11.559 1.00 0.00 C ATOM 1175 C MET A 79 1.186 -0.625 -11.294 1.00 0.00 C ATOM 1176 O MET A 79 2.370 -0.341 -11.093 1.00 0.00 O ATOM 1177 CB MET A 79 0.179 -2.723 -10.307 1.00 0.00 C ATOM 1178 CG MET A 79 -0.307 -4.150 -10.602 1.00 0.00 C ATOM 1179 SD MET A 79 -1.620 -4.277 -11.846 1.00 0.00 S ATOM 1180 CE MET A 79 -1.459 -6.021 -12.280 1.00 0.00 C ATOM 0 H MET A 79 2.812 -2.503 -11.358 1.00 0.00 H new ATOM 0 HA MET A 79 0.045 -2.128 -12.348 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.917 -2.746 -9.506 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.656 -2.117 -9.954 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.544 -4.745 -10.933 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.665 -4.594 -9.673 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.273 -6.307 -12.946 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.505 -6.184 -12.782 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.501 -6.627 -11.375 1.00 0.00 H new ATOM 1190 N ARG A 80 0.206 0.283 -11.310 1.00 0.00 N ATOM 1191 CA ARG A 80 0.425 1.684 -10.994 1.00 0.00 C ATOM 1192 C ARG A 80 0.008 1.923 -9.547 1.00 0.00 C ATOM 1193 O ARG A 80 -1.131 1.635 -9.176 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.269 2.601 -12.014 1.00 0.00 C ATOM 1195 CG ARG A 80 -1.799 2.603 -11.950 1.00 0.00 C ATOM 1196 CD ARG A 80 -2.377 3.375 -13.136 1.00 0.00 C ATOM 1197 NE ARG A 80 -3.831 3.515 -12.999 1.00 0.00 N ATOM 1198 CZ ARG A 80 -4.611 4.188 -13.857 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -4.082 4.746 -14.951 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -5.920 4.296 -13.611 1.00 0.00 N ATOM 0 H ARG A 80 -0.761 0.059 -11.544 1.00 0.00 H new ATOM 0 HA ARG A 80 1.482 1.939 -11.076 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.087 3.620 -11.864 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.037 2.301 -13.016 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.172 1.579 -11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.130 3.056 -11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.915 4.360 -13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.142 2.856 -14.065 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.278 3.071 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.082 4.660 -15.135 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.678 5.257 -15.602 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.319 3.868 -12.775 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.520 4.806 -14.259 1.00 0.00 H new ATOM 1214 N ILE A 81 0.936 2.386 -8.708 1.00 0.00 N ATOM 1215 CA ILE A 81 0.699 2.601 -7.299 1.00 0.00 C ATOM 1216 C ILE A 81 1.234 3.970 -6.864 1.00 0.00 C ATOM 1217 O ILE A 81 2.251 4.436 -7.382 1.00 0.00 O ATOM 1218 CB ILE A 81 1.271 1.414 -6.506 1.00 0.00 C ATOM 1219 CG1 ILE A 81 2.804 1.301 -6.379 1.00 0.00 C ATOM 1220 CG2 ILE A 81 0.660 0.082 -6.977 1.00 0.00 C ATOM 1221 CD1 ILE A 81 3.548 0.716 -7.588 1.00 0.00 C ATOM 0 H ILE A 81 1.883 2.622 -9.003 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.370 2.634 -7.087 1.00 0.00 H new ATOM 0 HB ILE A 81 0.961 1.644 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.204 2.295 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.030 0.686 -5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.084 -0.738 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.420 0.106 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.883 -0.067 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.617 0.688 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.189 -0.295 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.366 1.339 -8.464 1.00 0.00 H new ATOM 1233 N THR A 82 0.542 4.632 -5.927 1.00 0.00 N ATOM 1234 CA THR A 82 1.035 5.859 -5.309 1.00 0.00 C ATOM 1235 C THR A 82 1.774 5.481 -4.032 1.00 0.00 C ATOM 1236 O THR A 82 1.142 5.072 -3.062 1.00 0.00 O ATOM 1237 CB THR A 82 -0.115 6.842 -5.027 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.656 7.319 -6.246 1.00 0.00 O ATOM 1239 CG2 THR A 82 0.352 8.058 -4.220 1.00 0.00 C ATOM 0 H THR A 82 -0.369 4.330 -5.581 1.00 0.00 H new ATOM 0 HA THR A 82 1.717 6.370 -5.989 1.00 0.00 H new ATOM 0 HB THR A 82 -0.861 6.295 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.854 8.275 -6.164 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.493 8.724 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.757 7.726 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.124 8.589 -4.777 1.00 0.00 H new ATOM 1247 N ASP A 83 3.100 5.631 -4.026 1.00 0.00 N ATOM 1248 CA ASP A 83 3.906 5.558 -2.825 1.00 0.00 C ATOM 1249 C ASP A 83 3.874 6.934 -2.176 1.00 0.00 C ATOM 1250 O ASP A 83 4.046 7.935 -2.871 1.00 0.00 O ATOM 1251 CB ASP A 83 5.336 5.121 -3.168 1.00 0.00 C ATOM 1252 CG ASP A 83 5.428 3.603 -3.264 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.494 2.979 -2.183 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.401 3.087 -4.401 1.00 0.00 O ATOM 0 H ASP A 83 3.643 5.809 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 83 3.513 4.815 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.641 5.569 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.025 5.484 -2.406 1.00 0.00 H new ATOM 1259 N CYS A 84 3.618 6.992 -0.866 1.00 0.00 N ATOM 1260 CA CYS A 84 3.512 8.247 -0.138 1.00 0.00 C ATOM 1261 C CYS A 84 4.352 8.220 1.140 1.00 0.00 C ATOM 1262 O CYS A 84 4.316 7.209 1.843 1.00 0.00 O ATOM 1263 CB CYS A 84 2.043 8.577 0.147 1.00 0.00 C ATOM 1264 SG CYS A 84 1.795 10.353 0.327 1.00 0.00 S ATOM 0 H CYS A 84 3.479 6.165 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 84 3.915 9.044 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.419 8.201 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.724 8.069 1.057 1.00 0.00 H new ATOM 1269 N ARG A 85 5.106 9.290 1.451 1.00 0.00 N ATOM 1270 CA ARG A 85 5.959 9.339 2.648 1.00 0.00 C ATOM 1271 C ARG A 85 5.891 10.701 3.307 1.00 0.00 C ATOM 1272 O ARG A 85 5.954 11.690 2.592 1.00 0.00 O ATOM 1273 CB ARG A 85 7.425 9.096 2.274 1.00 0.00 C ATOM 1274 CG ARG A 85 8.228 8.508 3.449 1.00 0.00 C ATOM 1275 CD ARG A 85 9.249 7.468 2.979 1.00 0.00 C ATOM 1276 NE ARG A 85 10.259 8.044 2.083 1.00 0.00 N ATOM 1277 CZ ARG A 85 11.220 7.330 1.478 1.00 0.00 C ATOM 1278 NH1 ARG A 85 11.283 6.005 1.644 1.00 0.00 N ATOM 1279 NH2 ARG A 85 12.121 7.950 0.709 1.00 0.00 N ATOM 0 H ARG A 85 5.140 10.137 0.884 1.00 0.00 H new ATOM 0 HA ARG A 85 5.597 8.567 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.475 8.416 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.879 10.035 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.744 9.312 3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.544 8.049 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.743 7.030 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.730 6.659 2.465 1.00 0.00 H new ATOM 0 HE ARG A 85 10.228 9.049 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.598 5.532 2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.016 5.467 1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.076 8.961 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.854 7.412 0.247 1.00 0.00 H new ATOM 1293 N GLU A 86 5.812 10.795 4.635 1.00 0.00 N ATOM 1294 CA GLU A 86 5.919 12.093 5.292 1.00 0.00 C ATOM 1295 C GLU A 86 7.178 12.826 4.794 1.00 0.00 C ATOM 1296 O GLU A 86 8.276 12.280 4.895 1.00 0.00 O ATOM 1297 CB GLU A 86 5.833 11.929 6.818 1.00 0.00 C ATOM 1298 CG GLU A 86 6.902 11.029 7.466 1.00 0.00 C ATOM 1299 CD GLU A 86 8.233 11.724 7.743 1.00 0.00 C ATOM 1300 OE1 GLU A 86 8.189 12.890 8.190 1.00 0.00 O ATOM 1301 OE2 GLU A 86 9.272 11.057 7.544 1.00 0.00 O ATOM 0 H GLU A 86 5.677 10.004 5.264 1.00 0.00 H new ATOM 0 HA GLU A 86 5.076 12.730 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.896 12.918 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.851 11.526 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.509 10.638 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.082 10.174 6.815 1.00 0.00 H new ATOM 1308 N THR A 87 7.039 14.010 4.176 1.00 0.00 N ATOM 1309 CA THR A 87 8.209 14.779 3.759 1.00 0.00 C ATOM 1310 C THR A 87 9.169 15.000 4.940 1.00 0.00 C ATOM 1311 O THR A 87 8.742 15.076 6.090 1.00 0.00 O ATOM 1312 CB THR A 87 7.793 16.147 3.192 1.00 0.00 C ATOM 1313 OG1 THR A 87 7.123 16.893 4.179 1.00 0.00 O ATOM 1314 CG2 THR A 87 6.898 16.085 1.954 1.00 0.00 C ATOM 0 H THR A 87 6.142 14.445 3.960 1.00 0.00 H new ATOM 0 HA THR A 87 8.716 14.205 2.983 1.00 0.00 H new ATOM 0 HB THR A 87 8.726 16.619 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.575 17.754 4.302 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.658 17.097 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.420 15.560 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.978 15.554 2.197 1.00 0.00 H new ATOM 1322 N GLY A 88 10.459 15.207 4.664 1.00 0.00 N ATOM 1323 CA GLY A 88 11.418 15.598 5.695 1.00 0.00 C ATOM 1324 C GLY A 88 10.978 16.862 6.446 1.00 0.00 C ATOM 1325 O GLY A 88 11.301 17.041 7.617 1.00 0.00 O ATOM 0 H GLY A 88 10.862 15.110 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.540 14.780 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.392 15.770 5.237 1.00 0.00 H new ATOM 1329 N SER A 89 10.238 17.746 5.771 1.00 0.00 N ATOM 1330 CA SER A 89 9.697 18.975 6.324 1.00 0.00 C ATOM 1331 C SER A 89 8.456 18.751 7.198 1.00 0.00 C ATOM 1332 O SER A 89 7.997 19.699 7.831 1.00 0.00 O ATOM 1333 CB SER A 89 9.357 19.884 5.139 1.00 0.00 C ATOM 1334 OG SER A 89 8.764 19.119 4.098 1.00 0.00 O ATOM 0 H SER A 89 9.995 17.614 4.789 1.00 0.00 H new ATOM 0 HA SER A 89 10.439 19.425 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.674 20.672 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.260 20.373 4.774 1.00 0.00 H new ATOM 0 HG SER A 89 8.547 19.706 3.344 1.00 0.00 H new ATOM 1340 N SER A 90 7.882 17.545 7.200 1.00 0.00 N ATOM 1341 CA SER A 90 6.605 17.255 7.839 1.00 0.00 C ATOM 1342 C SER A 90 6.717 17.387 9.360 1.00 0.00 C ATOM 1343 O SER A 90 7.667 16.881 9.956 1.00 0.00 O ATOM 1344 CB SER A 90 6.178 15.841 7.431 1.00 0.00 C ATOM 1345 OG SER A 90 4.785 15.642 7.563 1.00 0.00 O ATOM 0 H SER A 90 8.302 16.732 6.749 1.00 0.00 H new ATOM 0 HA SER A 90 5.851 17.972 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.472 15.659 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.707 15.113 8.046 1.00 0.00 H new ATOM 0 HG SER A 90 4.430 15.256 6.735 1.00 0.00 H new ATOM 1351 N LYS A 91 5.762 18.077 9.989 1.00 0.00 N ATOM 1352 CA LYS A 91 5.675 18.250 11.434 1.00 0.00 C ATOM 1353 C LYS A 91 4.221 18.038 11.854 1.00 0.00 C ATOM 1354 O LYS A 91 3.425 17.509 11.084 1.00 0.00 O ATOM 1355 CB LYS A 91 6.217 19.636 11.828 1.00 0.00 C ATOM 1356 CG LYS A 91 7.660 19.807 11.339 1.00 0.00 C ATOM 1357 CD LYS A 91 8.287 21.113 11.836 1.00 0.00 C ATOM 1358 CE LYS A 91 9.736 21.234 11.347 1.00 0.00 C ATOM 1359 NZ LYS A 91 9.823 21.288 9.875 1.00 0.00 N ATOM 0 H LYS A 91 5.006 18.544 9.487 1.00 0.00 H new ATOM 0 HA LYS A 91 6.289 17.518 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.587 20.415 11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.177 19.754 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.260 18.964 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.677 19.789 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.704 21.962 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.261 21.144 12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.187 22.132 11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.314 20.385 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.779 21.588 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.626 20.346 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.126 21.968 9.511 1.00 0.00 H new ATOM 1373 N TYR A 92 3.865 18.444 13.073 1.00 0.00 N ATOM 1374 CA TYR A 92 2.499 18.400 13.574 1.00 0.00 C ATOM 1375 C TYR A 92 2.162 19.774 14.157 1.00 0.00 C ATOM 1376 O TYR A 92 2.993 20.318 14.882 1.00 0.00 O ATOM 1377 CB TYR A 92 2.368 17.284 14.621 1.00 0.00 C ATOM 1378 CG TYR A 92 1.031 16.572 14.590 1.00 0.00 C ATOM 1379 CD1 TYR A 92 0.786 15.597 13.606 1.00 0.00 C ATOM 1380 CD2 TYR A 92 0.026 16.894 15.521 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -0.451 14.931 13.564 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -1.202 16.210 15.492 1.00 0.00 C ATOM 1383 CZ TYR A 92 -1.432 15.215 14.528 1.00 0.00 C ATOM 1384 OH TYR A 92 -2.587 14.492 14.567 1.00 0.00 O ATOM 0 H TYR A 92 4.532 18.818 13.748 1.00 0.00 H new ATOM 0 HA TYR A 92 1.794 18.175 12.774 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.162 16.554 14.462 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.520 17.709 15.613 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.550 15.360 12.881 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.198 17.666 16.257 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.647 14.202 12.792 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.970 16.450 16.212 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.154 14.820 15.296 1.00 0.00 H new ATOM 1394 N PRO A 93 0.999 20.372 13.843 1.00 0.00 N ATOM 1395 CA PRO A 93 -0.041 19.866 12.953 1.00 0.00 C ATOM 1396 C PRO A 93 0.357 19.961 11.473 1.00 0.00 C ATOM 1397 O PRO A 93 -0.333 19.406 10.622 1.00 0.00 O ATOM 1398 CB PRO A 93 -1.259 20.748 13.240 1.00 0.00 C ATOM 1399 CG PRO A 93 -0.629 22.094 13.600 1.00 0.00 C ATOM 1400 CD PRO A 93 0.631 21.681 14.361 1.00 0.00 C ATOM 0 HA PRO A 93 -0.230 18.808 13.132 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.914 20.828 12.372 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.861 20.352 14.058 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.392 22.681 12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.293 22.701 14.215 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.434 22.402 14.207 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.443 21.638 15.434 1.00 0.00 H new ATOM 1408 N ASN A 94 1.450 20.669 11.159 1.00 0.00 N ATOM 1409 CA ASN A 94 1.906 20.935 9.797 1.00 0.00 C ATOM 1410 C ASN A 94 2.484 19.677 9.144 1.00 0.00 C ATOM 1411 O ASN A 94 3.673 19.626 8.824 1.00 0.00 O ATOM 1412 CB ASN A 94 2.955 22.059 9.804 1.00 0.00 C ATOM 1413 CG ASN A 94 2.409 23.383 10.326 1.00 0.00 C ATOM 1414 OD1 ASN A 94 1.987 23.471 11.476 1.00 0.00 O ATOM 1415 ND2 ASN A 94 2.425 24.426 9.501 1.00 0.00 N ATOM 0 H ASN A 94 2.055 21.082 11.869 1.00 0.00 H new ATOM 0 HA ASN A 94 1.044 21.250 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.801 21.754 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.332 22.202 8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.080 25.332 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.782 24.320 8.551 1.00 0.00 H new ATOM 1422 N CYS A 95 1.650 18.663 8.918 1.00 0.00 N ATOM 1423 CA CYS A 95 2.072 17.487 8.179 1.00 0.00 C ATOM 1424 C CYS A 95 2.132 17.846 6.706 1.00 0.00 C ATOM 1425 O CYS A 95 1.188 18.433 6.178 1.00 0.00 O ATOM 1426 CB CYS A 95 1.118 16.306 8.362 1.00 0.00 C ATOM 1427 SG CYS A 95 1.017 15.657 10.036 1.00 0.00 S ATOM 0 H CYS A 95 0.682 18.637 9.237 1.00 0.00 H new ATOM 0 HA CYS A 95 3.046 17.181 8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.121 16.613 8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.429 15.502 7.695 1.00 0.00 H new ATOM 1432 N ALA A 96 3.210 17.447 6.041 1.00 0.00 N ATOM 1433 CA ALA A 96 3.356 17.465 4.597 1.00 0.00 C ATOM 1434 C ALA A 96 3.710 16.034 4.201 1.00 0.00 C ATOM 1435 O ALA A 96 4.422 15.347 4.937 1.00 0.00 O ATOM 1436 CB ALA A 96 4.414 18.492 4.196 1.00 0.00 C ATOM 0 H ALA A 96 4.038 17.088 6.516 1.00 0.00 H new ATOM 0 HA ALA A 96 2.449 17.771 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.519 18.501 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.110 19.481 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.369 18.228 4.651 1.00 0.00 H new ATOM 1442 N TYR A 97 3.150 15.537 3.098 1.00 0.00 N ATOM 1443 CA TYR A 97 3.214 14.119 2.787 1.00 0.00 C ATOM 1444 C TYR A 97 3.582 13.947 1.320 1.00 0.00 C ATOM 1445 O TYR A 97 2.804 14.281 0.440 1.00 0.00 O ATOM 1446 CB TYR A 97 1.885 13.454 3.189 1.00 0.00 C ATOM 1447 CG TYR A 97 2.055 12.150 3.944 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.764 11.102 3.341 1.00 0.00 C ATOM 1449 CD2 TYR A 97 1.547 11.984 5.247 1.00 0.00 C ATOM 1450 CE1 TYR A 97 2.846 9.852 3.969 1.00 0.00 C ATOM 1451 CE2 TYR A 97 1.739 10.765 5.924 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.371 9.694 5.272 1.00 0.00 C ATOM 1453 OH TYR A 97 2.565 8.502 5.889 1.00 0.00 O ATOM 0 H TYR A 97 2.649 16.099 2.409 1.00 0.00 H new ATOM 0 HA TYR A 97 3.993 13.615 3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.315 14.148 3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.296 13.268 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.249 11.258 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.011 12.790 5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.276 9.011 3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.401 10.654 6.944 1.00 0.00 H new ATOM 0 HH TYR A 97 3.459 8.164 5.673 1.00 0.00 H new ATOM 1463 N LYS A 98 4.805 13.487 1.069 1.00 0.00 N ATOM 1464 CA LYS A 98 5.399 13.381 -0.240 1.00 0.00 C ATOM 1465 C LYS A 98 4.660 12.326 -1.053 1.00 0.00 C ATOM 1466 O LYS A 98 4.698 11.162 -0.666 1.00 0.00 O ATOM 1467 CB LYS A 98 6.891 13.035 -0.127 1.00 0.00 C ATOM 1468 CG LYS A 98 7.679 13.581 -1.324 1.00 0.00 C ATOM 1469 CD LYS A 98 9.170 13.255 -1.169 1.00 0.00 C ATOM 1470 CE LYS A 98 10.023 13.992 -2.209 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.652 13.632 -3.589 1.00 0.00 N ATOM 0 H LYS A 98 5.427 13.167 1.811 1.00 0.00 H new ATOM 0 HA LYS A 98 5.315 14.341 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.294 13.450 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.013 11.953 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.298 13.146 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.541 14.660 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.500 13.529 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.320 12.180 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.910 15.068 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.075 13.759 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.308 14.087 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.703 12.600 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.683 13.955 -3.783 1.00 0.00 H new ATOM 1485 N THR A 99 4.015 12.715 -2.155 1.00 0.00 N ATOM 1486 CA THR A 99 3.187 11.820 -2.968 1.00 0.00 C ATOM 1487 C THR A 99 3.910 11.495 -4.272 1.00 0.00 C ATOM 1488 O THR A 99 4.150 12.401 -5.070 1.00 0.00 O ATOM 1489 CB THR A 99 1.836 12.500 -3.223 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.346 12.913 -1.974 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.760 11.602 -3.835 1.00 0.00 C ATOM 0 H THR A 99 4.053 13.670 -2.512 1.00 0.00 H new ATOM 0 HA THR A 99 3.010 10.879 -2.447 1.00 0.00 H new ATOM 0 HB THR A 99 2.023 13.302 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.492 13.378 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.156 12.176 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.104 11.226 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.563 10.763 -3.168 1.00 0.00 H new ATOM 1499 N THR A 100 4.252 10.222 -4.487 1.00 0.00 N ATOM 1500 CA THR A 100 5.000 9.764 -5.646 1.00 0.00 C ATOM 1501 C THR A 100 4.229 8.646 -6.348 1.00 0.00 C ATOM 1502 O THR A 100 4.148 7.526 -5.838 1.00 0.00 O ATOM 1503 CB THR A 100 6.381 9.270 -5.196 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.028 10.268 -4.430 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.240 8.956 -6.424 1.00 0.00 C ATOM 0 H THR A 100 4.008 9.470 -3.842 1.00 0.00 H new ATOM 0 HA THR A 100 5.132 10.586 -6.349 1.00 0.00 H new ATOM 0 HB THR A 100 6.252 8.372 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.908 9.943 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.221 8.605 -6.102 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.755 8.182 -7.019 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.357 9.857 -7.026 1.00 0.00 H new ATOM 1513 N GLN A 101 3.697 8.925 -7.541 1.00 0.00 N ATOM 1514 CA GLN A 101 3.131 7.880 -8.379 1.00 0.00 C ATOM 1515 C GLN A 101 4.251 7.098 -9.071 1.00 0.00 C ATOM 1516 O GLN A 101 5.148 7.712 -9.647 1.00 0.00 O ATOM 1517 CB GLN A 101 2.078 8.444 -9.343 1.00 0.00 C ATOM 1518 CG GLN A 101 2.623 9.426 -10.389 1.00 0.00 C ATOM 1519 CD GLN A 101 1.513 9.986 -11.277 1.00 0.00 C ATOM 1520 OE1 GLN A 101 0.335 9.924 -10.941 1.00 0.00 O ATOM 1521 NE2 GLN A 101 1.878 10.541 -12.430 1.00 0.00 N ATOM 0 H GLN A 101 3.649 9.862 -7.941 1.00 0.00 H new ATOM 0 HA GLN A 101 2.592 7.167 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.598 7.614 -9.860 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.305 8.947 -8.761 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.134 10.247 -9.885 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.364 8.922 -11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.864 10.581 -12.687 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.172 10.927 -13.057 1.00 0.00 H new ATOM 1530 N VAL A 102 4.220 5.761 -9.013 1.00 0.00 N ATOM 1531 CA VAL A 102 5.157 4.890 -9.701 1.00 0.00 C ATOM 1532 C VAL A 102 4.386 3.760 -10.385 1.00 0.00 C ATOM 1533 O VAL A 102 3.267 3.430 -9.987 1.00 0.00 O ATOM 1534 CB VAL A 102 6.193 4.328 -8.716 1.00 0.00 C ATOM 1535 CG1 VAL A 102 7.283 5.350 -8.391 1.00 0.00 C ATOM 1536 CG2 VAL A 102 5.570 3.821 -7.413 1.00 0.00 C ATOM 0 H VAL A 102 3.523 5.251 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 102 5.695 5.462 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 102 6.640 3.476 -9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.995 4.912 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.801 5.633 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.830 6.234 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.354 3.437 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.052 4.640 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.860 3.024 -7.635 1.00 0.00 H new ATOM 1546 N GLU A 103 4.993 3.178 -11.423 1.00 0.00 N ATOM 1547 CA GLU A 103 4.431 2.104 -12.217 1.00 0.00 C ATOM 1548 C GLU A 103 5.475 1.000 -12.334 1.00 0.00 C ATOM 1549 O GLU A 103 6.487 1.205 -13.002 1.00 0.00 O ATOM 1550 CB GLU A 103 4.038 2.653 -13.592 1.00 0.00 C ATOM 1551 CG GLU A 103 3.065 3.833 -13.470 1.00 0.00 C ATOM 1552 CD GLU A 103 2.446 4.192 -14.816 1.00 0.00 C ATOM 1553 OE1 GLU A 103 3.100 4.959 -15.555 1.00 0.00 O ATOM 1554 OE2 GLU A 103 1.333 3.688 -15.079 1.00 0.00 O ATOM 0 H GLU A 103 5.922 3.458 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 103 3.536 1.693 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.933 2.972 -14.127 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.578 1.861 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.276 3.583 -12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.591 4.699 -13.068 1.00 0.00 H new ATOM 1561 N LYS A 104 5.254 -0.149 -11.687 1.00 0.00 N ATOM 1562 CA LYS A 104 6.139 -1.300 -11.756 1.00 0.00 C ATOM 1563 C LYS A 104 5.531 -2.425 -10.935 1.00 0.00 C ATOM 1564 O LYS A 104 4.392 -2.333 -10.485 1.00 0.00 O ATOM 1565 CB LYS A 104 7.597 -1.005 -11.335 1.00 0.00 C ATOM 1566 CG LYS A 104 8.541 -1.240 -12.524 1.00 0.00 C ATOM 1567 CD LYS A 104 10.007 -1.177 -12.090 1.00 0.00 C ATOM 1568 CE LYS A 104 10.930 -1.379 -13.297 1.00 0.00 C ATOM 1569 NZ LYS A 104 12.349 -1.365 -12.901 1.00 0.00 N ATOM 0 H LYS A 104 4.439 -0.301 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 104 6.219 -1.595 -12.802 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.684 0.025 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.881 -1.647 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.333 -2.213 -12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.354 -0.490 -13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.214 -0.214 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.204 -1.944 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.696 -2.327 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.748 -0.594 -14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.945 -1.504 -13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.578 -0.451 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.527 -2.130 -12.220 1.00 0.00 H new ATOM 1583 N HIS A 105 6.282 -3.510 -10.783 1.00 0.00 N ATOM 1584 CA HIS A 105 5.824 -4.667 -10.042 1.00 0.00 C ATOM 1585 C HIS A 105 5.870 -4.380 -8.545 1.00 0.00 C ATOM 1586 O HIS A 105 6.802 -3.742 -8.047 1.00 0.00 O ATOM 1587 CB HIS A 105 6.611 -5.918 -10.441 1.00 0.00 C ATOM 1588 CG HIS A 105 8.105 -5.734 -10.514 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.881 -5.841 -11.655 1.00 0.00 N ATOM 1590 CD2 HIS A 105 8.940 -5.505 -9.458 1.00 0.00 C ATOM 1591 CE1 HIS A 105 10.165 -5.666 -11.292 1.00 0.00 C ATOM 1592 NE2 HIS A 105 10.221 -5.464 -9.963 1.00 0.00 N ATOM 0 H HIS A 105 7.221 -3.607 -11.170 1.00 0.00 H new ATOM 0 HA HIS A 105 4.784 -4.872 -10.295 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.392 -6.710 -9.725 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.254 -6.259 -11.413 1.00 0.00 H new ATOM 0 HD2 HIS A 105 8.651 -5.380 -8.425 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.014 -5.685 -11.960 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.070 -5.307 -9.420 1.00 0.00 H new ATOM 1601 N ILE A 106 4.833 -4.844 -7.849 1.00 0.00 N ATOM 1602 CA ILE A 106 4.759 -4.842 -6.391 1.00 0.00 C ATOM 1603 C ILE A 106 5.076 -6.224 -5.826 1.00 0.00 C ATOM 1604 O ILE A 106 4.844 -7.238 -6.479 1.00 0.00 O ATOM 1605 CB ILE A 106 3.421 -4.274 -5.888 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.219 -5.207 -6.113 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.175 -2.910 -6.544 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.957 -4.667 -5.431 1.00 0.00 C ATOM 0 H ILE A 106 4.004 -5.240 -8.293 1.00 0.00 H new ATOM 0 HA ILE A 106 5.527 -4.167 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 106 3.507 -4.170 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.038 -5.318 -7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.449 -6.199 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.228 -2.502 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.984 -2.228 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.138 -3.028 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.126 -5.350 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.132 -4.581 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.714 -3.686 -5.839 1.00 0.00 H new ATOM 1620 N ILE A 107 5.641 -6.252 -4.620 1.00 0.00 N ATOM 1621 CA ILE A 107 5.982 -7.448 -3.883 1.00 0.00 C ATOM 1622 C ILE A 107 5.223 -7.356 -2.563 1.00 0.00 C ATOM 1623 O ILE A 107 5.531 -6.518 -1.707 1.00 0.00 O ATOM 1624 CB ILE A 107 7.507 -7.549 -3.692 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.291 -7.859 -4.982 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.831 -8.713 -2.743 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.469 -6.684 -5.942 1.00 0.00 C ATOM 0 H ILE A 107 5.881 -5.399 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 107 5.698 -8.357 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 107 7.803 -6.570 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.277 -8.233 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.782 -8.664 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.910 -8.783 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.356 -8.538 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.457 -9.644 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.033 -7.010 -6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.491 -6.320 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.010 -5.882 -5.439 1.00 0.00 H new ATOM 1639 N VAL A 108 4.216 -8.217 -2.418 1.00 0.00 N ATOM 1640 CA VAL A 108 3.453 -8.358 -1.191 1.00 0.00 C ATOM 1641 C VAL A 108 3.866 -9.667 -0.516 1.00 0.00 C ATOM 1642 O VAL A 108 4.754 -10.362 -1.007 1.00 0.00 O ATOM 1643 CB VAL A 108 1.943 -8.284 -1.501 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.570 -6.906 -2.063 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.469 -9.377 -2.466 1.00 0.00 C ATOM 0 H VAL A 108 3.908 -8.842 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 108 3.663 -7.543 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 108 1.434 -8.448 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.501 -6.876 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.817 -6.136 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.127 -6.725 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.399 -9.268 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.003 -9.284 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.667 -10.357 -2.032 1.00 0.00 H new ATOM 1655 N ALA A 109 3.228 -10.017 0.600 1.00 0.00 N ATOM 1656 CA ALA A 109 3.313 -11.344 1.184 1.00 0.00 C ATOM 1657 C ALA A 109 1.925 -11.714 1.685 1.00 0.00 C ATOM 1658 O ALA A 109 1.177 -10.835 2.131 1.00 0.00 O ATOM 1659 CB ALA A 109 4.372 -11.416 2.284 1.00 0.00 C ATOM 0 H ALA A 109 2.633 -9.377 1.125 1.00 0.00 H new ATOM 0 HA ALA A 109 3.635 -12.067 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.403 -12.426 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.347 -11.164 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.122 -10.710 3.076 1.00 0.00 H new ATOM 1665 N CYS A 110 1.575 -12.998 1.556 1.00 0.00 N ATOM 1666 CA CYS A 110 0.237 -13.491 1.836 1.00 0.00 C ATOM 1667 C CYS A 110 0.345 -14.566 2.905 1.00 0.00 C ATOM 1668 O CYS A 110 1.332 -15.299 2.947 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.483 -14.011 0.577 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.586 -12.860 -0.822 1.00 0.00 S ATOM 0 H CYS A 110 2.223 -13.724 1.251 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.377 -12.665 2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.026 -14.914 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.496 -14.301 0.857 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.640 -14.631 3.796 1.00 0.00 N ATOM 1676 CA GLY A 111 -0.596 -15.513 4.946 1.00 0.00 C ATOM 1677 C GLY A 111 -1.975 -15.601 5.581 1.00 0.00 C ATOM 1678 O GLY A 111 -2.962 -15.167 4.986 1.00 0.00 O ATOM 0 H GLY A 111 -1.490 -14.071 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.261 -16.505 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.126 -15.142 5.673 1.00 0.00 H new ATOM 1682 N GLY A 112 -2.037 -16.169 6.786 1.00 0.00 N ATOM 1683 CA GLY A 112 -3.292 -16.543 7.404 1.00 0.00 C ATOM 1684 C GLY A 112 -3.808 -17.826 6.752 1.00 0.00 C ATOM 1685 O GLY A 112 -3.140 -18.414 5.900 1.00 0.00 O ATOM 0 H GLY A 112 -1.216 -16.379 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.154 -16.695 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.022 -15.742 7.287 1.00 0.00 H new ATOM 1689 N LYS A 113 -4.993 -18.265 7.175 1.00 0.00 N ATOM 1690 CA LYS A 113 -5.726 -19.353 6.552 1.00 0.00 C ATOM 1691 C LYS A 113 -7.168 -18.863 6.355 1.00 0.00 C ATOM 1692 O LYS A 113 -7.821 -18.551 7.351 1.00 0.00 O ATOM 1693 CB LYS A 113 -5.594 -20.640 7.387 1.00 0.00 C ATOM 1694 CG LYS A 113 -6.080 -20.558 8.844 1.00 0.00 C ATOM 1695 CD LYS A 113 -7.427 -21.269 9.028 1.00 0.00 C ATOM 1696 CE LYS A 113 -7.887 -21.171 10.487 1.00 0.00 C ATOM 1697 NZ LYS A 113 -9.172 -21.862 10.689 1.00 0.00 N ATOM 0 H LYS A 113 -5.476 -17.862 7.978 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.322 -19.622 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.149 -21.432 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.546 -20.939 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.337 -21.008 9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.176 -19.513 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.175 -20.821 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.336 -22.316 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.130 -21.607 11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.986 -20.123 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.458 -21.779 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.898 -21.429 10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.069 -22.867 10.441 1.00 0.00 H new ATOM 1711 N PRO A 114 -7.674 -18.729 5.117 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.973 -18.935 3.853 1.00 0.00 C ATOM 1713 C PRO A 114 -5.831 -17.924 3.671 1.00 0.00 C ATOM 1714 O PRO A 114 -5.739 -16.940 4.402 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.044 -18.773 2.769 1.00 0.00 C ATOM 1716 CG PRO A 114 -9.050 -17.817 3.407 1.00 0.00 C ATOM 1717 CD PRO A 114 -9.016 -18.225 4.879 1.00 0.00 C ATOM 0 HA PRO A 114 -6.501 -19.916 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.627 -18.362 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.504 -19.727 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.762 -16.775 3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -10.045 -17.932 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -9.236 -17.376 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.764 -18.989 5.091 1.00 0.00 H new ATOM 1725 N SER A 115 -4.952 -18.188 2.704 1.00 0.00 N ATOM 1726 CA SER A 115 -3.793 -17.378 2.382 1.00 0.00 C ATOM 1727 C SER A 115 -4.235 -16.074 1.711 1.00 0.00 C ATOM 1728 O SER A 115 -4.543 -16.064 0.521 1.00 0.00 O ATOM 1729 CB SER A 115 -2.880 -18.215 1.474 1.00 0.00 C ATOM 1730 OG SER A 115 -3.634 -19.215 0.799 1.00 0.00 O ATOM 0 H SER A 115 -5.038 -19.008 2.103 1.00 0.00 H new ATOM 0 HA SER A 115 -3.244 -17.097 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 115 -2.388 -17.569 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.095 -18.682 2.068 1.00 0.00 H new ATOM 0 HG SER A 115 -3.040 -19.740 0.223 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.263 -14.975 2.466 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.730 -13.669 2.012 1.00 0.00 C ATOM 1738 C VAL A 116 -3.575 -12.659 2.090 1.00 0.00 C ATOM 1739 O VAL A 116 -2.675 -12.848 2.911 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.953 -13.253 2.851 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.153 -14.151 2.528 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.686 -13.288 4.364 1.00 0.00 C ATOM 0 H VAL A 116 -3.952 -14.971 3.437 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.049 -13.706 0.970 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.171 -12.220 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.009 -13.844 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.401 -14.061 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.903 -15.187 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.586 -12.985 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.410 -14.300 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.872 -12.604 4.606 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.550 -11.615 1.238 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.482 -10.622 1.220 1.00 0.00 C ATOM 1754 C PRO A 117 -2.438 -9.895 2.557 1.00 0.00 C ATOM 1755 O PRO A 117 -3.434 -9.292 2.948 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.794 -9.686 0.052 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.305 -9.822 -0.131 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.571 -11.277 0.256 1.00 0.00 C ATOM 0 HA PRO A 117 -1.496 -11.066 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.509 -8.658 0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.254 -9.977 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.852 -9.128 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.607 -9.616 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.571 -11.395 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.510 -11.931 -0.614 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.305 -9.979 3.263 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.202 -9.560 4.649 1.00 0.00 C ATOM 1768 C VAL A 118 -0.038 -8.601 4.918 1.00 0.00 C ATOM 1769 O VAL A 118 -0.075 -7.875 5.909 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.247 -10.807 5.558 1.00 0.00 C ATOM 1771 CG1 VAL A 118 0.016 -11.663 5.433 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.434 -10.398 7.021 1.00 0.00 C ATOM 0 H VAL A 118 -0.433 -10.343 2.879 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.066 -8.944 4.898 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.096 -11.405 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.064 -12.528 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.126 -12.001 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.886 -11.071 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.463 -11.290 7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.603 -9.764 7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.369 -9.848 7.128 1.00 0.00 H new ATOM 1782 N HIS A 119 0.975 -8.561 4.046 1.00 0.00 N ATOM 1783 CA HIS A 119 2.035 -7.561 4.123 1.00 0.00 C ATOM 1784 C HIS A 119 2.346 -6.993 2.747 1.00 0.00 C ATOM 1785 O HIS A 119 2.247 -7.695 1.743 1.00 0.00 O ATOM 1786 CB HIS A 119 3.303 -8.149 4.745 1.00 0.00 C ATOM 1787 CG HIS A 119 3.215 -8.391 6.229 1.00 0.00 C ATOM 1788 ND1 HIS A 119 3.110 -9.621 6.849 1.00 0.00 N ATOM 1789 CD2 HIS A 119 3.324 -7.433 7.198 1.00 0.00 C ATOM 1790 CE1 HIS A 119 3.147 -9.412 8.177 1.00 0.00 C ATOM 1791 NE2 HIS A 119 3.275 -8.091 8.410 1.00 0.00 N ATOM 0 H HIS A 119 1.079 -9.218 3.273 1.00 0.00 H new ATOM 0 HA HIS A 119 1.679 -6.753 4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.533 -9.092 4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 119 4.136 -7.474 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 119 3.428 -6.369 7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 119 3.084 -10.179 8.935 1.00 0.00 H new ATOM 0 HE2 HIS A 119 3.327 -7.651 9.329 1.00 0.00 H new ATOM 1800 N PHE A 120 2.741 -5.717 2.728 1.00 0.00 N ATOM 1801 CA PHE A 120 3.325 -5.040 1.587 1.00 0.00 C ATOM 1802 C PHE A 120 4.812 -4.960 1.897 1.00 0.00 C ATOM 1803 O PHE A 120 5.189 -4.275 2.846 1.00 0.00 O ATOM 1804 CB PHE A 120 2.743 -3.628 1.438 1.00 0.00 C ATOM 1805 CG PHE A 120 3.472 -2.770 0.420 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.547 -3.174 -0.927 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.155 -1.612 0.836 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.251 -2.393 -1.861 1.00 0.00 C ATOM 1809 CE2 PHE A 120 4.878 -0.846 -0.094 1.00 0.00 C ATOM 1810 CZ PHE A 120 4.918 -1.229 -1.445 1.00 0.00 C ATOM 0 H PHE A 120 2.655 -5.111 3.544 1.00 0.00 H new ATOM 0 HA PHE A 120 3.121 -5.567 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.695 -3.706 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.771 -3.129 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.063 -4.086 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.123 -1.311 1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.279 -2.689 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 120 5.404 0.039 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.460 -0.630 -2.162 1.00 0.00 H new ATOM 1820 N ASP A 121 5.638 -5.693 1.152 1.00 0.00 N ATOM 1821 CA ASP A 121 7.076 -5.631 1.346 1.00 0.00 C ATOM 1822 C ASP A 121 7.627 -4.392 0.651 1.00 0.00 C ATOM 1823 O ASP A 121 8.228 -3.536 1.296 1.00 0.00 O ATOM 1824 CB ASP A 121 7.750 -6.897 0.818 1.00 0.00 C ATOM 1825 CG ASP A 121 9.262 -6.829 1.008 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.703 -7.049 2.156 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.949 -6.569 -0.004 1.00 0.00 O ATOM 0 H ASP A 121 5.334 -6.330 0.416 1.00 0.00 H new ATOM 0 HA ASP A 121 7.290 -5.565 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.353 -7.769 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.518 -7.023 -0.239 1.00 0.00 H new ATOM 1832 N ALA A 122 7.458 -4.319 -0.672 1.00 0.00 N ATOM 1833 CA ALA A 122 8.093 -3.292 -1.487 1.00 0.00 C ATOM 1834 C ALA A 122 7.526 -3.328 -2.906 1.00 0.00 C ATOM 1835 O ALA A 122 6.563 -4.041 -3.188 1.00 0.00 O ATOM 1836 CB ALA A 122 9.615 -3.516 -1.506 1.00 0.00 C ATOM 0 H ALA A 122 6.878 -4.970 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 122 7.888 -2.311 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.088 -2.747 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.003 -3.462 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.833 -4.498 -1.926 1.00 0.00 H new ATOM 1842 N SER A 123 8.152 -2.584 -3.815 1.00 0.00 N ATOM 1843 CA SER A 123 7.913 -2.630 -5.242 1.00 0.00 C ATOM 1844 C SER A 123 9.251 -2.415 -5.938 1.00 0.00 C ATOM 1845 O SER A 123 10.249 -2.164 -5.263 1.00 0.00 O ATOM 1846 CB SER A 123 6.874 -1.564 -5.618 1.00 0.00 C ATOM 1847 OG SER A 123 7.234 -0.305 -5.078 1.00 0.00 O ATOM 0 H SER A 123 8.869 -1.906 -3.558 1.00 0.00 H new ATOM 0 HA SER A 123 7.507 -3.591 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.796 -1.492 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.892 -1.858 -5.246 1.00 0.00 H new ATOM 0 HG SER A 123 6.562 0.363 -5.329 1.00 0.00 H new ATOM 1853 N VAL A 124 9.268 -2.527 -7.270 1.00 0.00 N ATOM 1854 CA VAL A 124 10.457 -2.362 -8.105 1.00 0.00 C ATOM 1855 C VAL A 124 11.657 -3.168 -7.577 1.00 0.00 C ATOM 1856 O VAL A 124 11.667 -4.387 -7.862 1.00 0.00 O ATOM 1857 CB VAL A 124 10.730 -0.874 -8.433 1.00 0.00 C ATOM 1858 CG1 VAL A 124 10.798 0.076 -7.228 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.003 -0.698 -9.276 1.00 0.00 C ATOM 1860 OXT VAL A 124 12.555 -2.575 -6.941 1.00 0.00 O ATOM 0 H VAL A 124 8.430 -2.741 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 124 10.259 -2.812 -9.078 1.00 0.00 H new ATOM 0 HB VAL A 124 9.846 -0.584 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 124 10.993 1.091 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.849 0.052 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.600 -0.240 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.158 0.361 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.860 -1.089 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 124 11.895 -1.240 -10.215 1.00 0.00 H new TER 1870 VAL A 124