USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 959 hydrogens (13 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 NoAdj-H: B 2 PTR HN2 : B 2 PTR N : B 1 THR C :(H bumps) USER MOD Set 1.1: A 53 CYS SG : rot -141:sc= -2.36! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.26! C(o=-7.6!,f=-18!) USER MOD Set 2.1: A 46 ASN : amide:sc= -2.32! C(o=-2.7!,f=-8.7!) USER MOD Set 2.2: A 47 ASN : amide:sc= -0.382 K(o=-2.7,f=-3.8!) USER MOD Set 3.1: A 36 ASN : amide:sc= -7.63! C(o=-13!,f=-17!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -5.26 X(o=-13,f=-13!) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -10.6! C(o=-22!,f=-22!) USER MOD Set 4.2: A 107 GLN : amide:sc= -11.6! C(o=-22!,f=-27!) USER MOD Set 5.1: A 10 HIS : no HE2:sc= -0.138! C(o=-0.14!,f=-6.3!) USER MOD Set 5.2: A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0607 (180deg=0) USER MOD Single : A 2 SER OG : rot 133:sc=-0.00269! USER MOD Single : A 6 SER OG : rot -3:sc= 0.838 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= 1.27 (180deg=-0.168!) USER MOD Single : A 13 MET CE :methyl 152:sc= -0.334 (180deg=-1.12) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0966) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0087 USER MOD Single : A 25 SER OG : rot 170:sc= -2.15! USER MOD Single : A 27 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.62) USER MOD Single : A 33 SER OG : rot 80:sc= -3.8! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 38 LYS NZ :NH3+ -127:sc= 0.413 (180deg=-3.88!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0531) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -0.0235 (180deg=-0.299) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.127 USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= -2.31! (180deg=-4.76!) USER MOD Single : A 74 SER OG : rot -144:sc= 0.48 USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0695) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= -1.61 (180deg=-4.31!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 90 HIS : no HD1:sc= -0.818 X(o=-0.82,f=-0.63) USER MOD Single : A 91 TYR OH : rot 110:sc= -0.136 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 158:sc= -0.244 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 104:sc= -14.9! USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.442 -15.612 -4.096 1.00 0.00 N ATOM 2 CA GLY A 1 -5.860 -15.774 -3.798 1.00 0.00 C ATOM 3 C GLY A 1 -6.335 -14.818 -2.702 1.00 0.00 C ATOM 4 O GLY A 1 -5.548 -14.165 -2.027 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.331 -15.216 -5.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.013 -14.967 -3.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.969 -16.537 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.441 -15.603 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.049 -16.802 -3.488 1.00 0.00 H new ATOM 10 N SER A 2 -7.674 -14.787 -2.576 1.00 0.00 N ATOM 11 CA SER A 2 -8.255 -13.917 -1.568 1.00 0.00 C ATOM 12 C SER A 2 -9.773 -14.092 -1.558 1.00 0.00 C ATOM 13 O SER A 2 -10.454 -13.894 -2.558 1.00 0.00 O ATOM 14 CB SER A 2 -7.884 -12.469 -1.873 1.00 0.00 C ATOM 15 OG SER A 2 -8.417 -12.071 -3.110 1.00 0.00 O ATOM 0 H SER A 2 -8.335 -15.328 -3.133 1.00 0.00 H new ATOM 0 HA SER A 2 -7.866 -14.179 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.259 -11.818 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.799 -12.361 -1.887 1.00 0.00 H new ATOM 0 HG SER A 2 -8.854 -11.199 -3.013 1.00 0.00 H new ATOM 21 N ARG A 3 -10.250 -14.474 -0.360 1.00 0.00 N ATOM 22 CA ARG A 3 -11.681 -14.678 -0.214 1.00 0.00 C ATOM 23 C ARG A 3 -12.184 -13.907 1.006 1.00 0.00 C ATOM 24 O ARG A 3 -11.918 -14.258 2.149 1.00 0.00 O ATOM 25 CB ARG A 3 -11.967 -16.170 -0.065 1.00 0.00 C ATOM 26 CG ARG A 3 -13.465 -16.446 0.055 1.00 0.00 C ATOM 27 CD ARG A 3 -14.240 -15.856 -1.122 1.00 0.00 C ATOM 28 NE ARG A 3 -13.687 -16.327 -2.378 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.943 -17.591 -2.763 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.688 -18.385 -1.998 1.00 0.00 N ATOM 31 NH2 ARG A 3 -13.450 -18.047 -3.911 1.00 0.00 N ATOM 0 H ARG A 3 -9.689 -14.638 0.476 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.201 -14.309 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.565 -16.706 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.454 -16.553 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.635 -17.522 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.840 -16.024 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.291 -16.137 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.198 -14.767 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.116 -15.712 -2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.067 -18.036 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.880 -19.343 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.879 -17.439 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.643 -19.005 -4.204 1.00 0.00 H new ATOM 45 N ARG A 4 -12.931 -12.836 0.679 1.00 0.00 N ATOM 46 CA ARG A 4 -13.471 -12.013 1.746 1.00 0.00 C ATOM 47 C ARG A 4 -14.929 -11.674 1.440 1.00 0.00 C ATOM 48 O ARG A 4 -15.328 -11.501 0.295 1.00 0.00 O ATOM 49 CB ARG A 4 -12.641 -10.739 1.868 1.00 0.00 C ATOM 50 CG ARG A 4 -11.708 -10.790 3.079 1.00 0.00 C ATOM 51 CD ARG A 4 -12.470 -10.569 4.385 1.00 0.00 C ATOM 52 NE ARG A 4 -11.596 -10.792 5.522 1.00 0.00 N ATOM 53 CZ ARG A 4 -11.417 -12.052 5.961 1.00 0.00 C ATOM 54 NH1 ARG A 4 -12.033 -13.064 5.356 1.00 0.00 N ATOM 55 NH2 ARG A 4 -10.621 -12.286 7.001 1.00 0.00 N ATOM 0 H ARG A 4 -13.159 -12.540 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 4 -13.429 -12.555 2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.053 -10.598 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.304 -9.879 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.204 -11.756 3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.934 -10.029 2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.866 -9.554 4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.323 -11.246 4.435 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.127 -10.010 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.642 -12.886 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.896 -14.018 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.147 -11.511 7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.485 -13.240 7.334 1.00 0.00 H new ATOM 69 N ALA A 5 -15.692 -11.593 2.545 1.00 0.00 N ATOM 70 CA ALA A 5 -17.101 -11.275 2.395 1.00 0.00 C ATOM 71 C ALA A 5 -17.248 -9.835 1.899 1.00 0.00 C ATOM 72 O ALA A 5 -17.283 -9.564 0.705 1.00 0.00 O ATOM 73 CB ALA A 5 -17.811 -11.462 3.735 1.00 0.00 C ATOM 0 H ALA A 5 -15.368 -11.737 3.501 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.557 -11.943 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.869 -11.223 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.705 -12.496 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -17.366 -10.800 4.478 1.00 0.00 H new ATOM 79 N SER A 6 -17.332 -8.938 2.898 1.00 0.00 N ATOM 80 CA SER A 6 -17.474 -7.532 2.559 1.00 0.00 C ATOM 81 C SER A 6 -16.979 -6.673 3.722 1.00 0.00 C ATOM 82 O SER A 6 -16.707 -7.157 4.814 1.00 0.00 O ATOM 83 CB SER A 6 -18.938 -7.228 2.253 1.00 0.00 C ATOM 84 OG SER A 6 -19.336 -7.855 1.060 1.00 0.00 O ATOM 0 H SER A 6 -17.305 -9.155 3.894 1.00 0.00 H new ATOM 0 HA SER A 6 -16.876 -7.303 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.565 -7.570 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.081 -6.151 2.169 1.00 0.00 H new ATOM 0 HG SER A 6 -18.567 -8.310 0.657 1.00 0.00 H new ATOM 90 N VAL A 7 -16.886 -5.367 3.404 1.00 0.00 N ATOM 91 CA VAL A 7 -16.425 -4.421 4.410 1.00 0.00 C ATOM 92 C VAL A 7 -15.328 -5.058 5.267 1.00 0.00 C ATOM 93 O VAL A 7 -15.584 -5.723 6.263 1.00 0.00 O ATOM 94 CB VAL A 7 -17.607 -3.980 5.270 1.00 0.00 C ATOM 95 CG1 VAL A 7 -18.366 -5.189 5.820 1.00 0.00 C ATOM 96 CG2 VAL A 7 -17.129 -3.086 6.416 1.00 0.00 C ATOM 0 H VAL A 7 -17.116 -4.966 2.495 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.002 -3.543 3.922 1.00 0.00 H new ATOM 0 HB VAL A 7 -18.289 -3.409 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.203 -4.847 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.742 -5.790 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.695 -5.792 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.984 -2.780 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.424 -3.638 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.638 -2.202 6.008 1.00 0.00 H new ATOM 106 N GLY A 8 -14.090 -4.803 4.807 1.00 0.00 N ATOM 107 CA GLY A 8 -12.956 -5.349 5.527 1.00 0.00 C ATOM 108 C GLY A 8 -12.217 -6.386 4.680 1.00 0.00 C ATOM 109 O GLY A 8 -12.107 -7.553 5.036 1.00 0.00 O ATOM 0 H GLY A 8 -13.867 -4.249 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.273 -4.545 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.297 -5.808 6.455 1.00 0.00 H new ATOM 113 N SER A 9 -11.721 -5.876 3.539 1.00 0.00 N ATOM 114 CA SER A 9 -10.996 -6.759 2.642 1.00 0.00 C ATOM 115 C SER A 9 -9.555 -6.275 2.501 1.00 0.00 C ATOM 116 O SER A 9 -9.264 -5.287 1.838 1.00 0.00 O ATOM 117 CB SER A 9 -11.689 -6.784 1.283 1.00 0.00 C ATOM 118 OG SER A 9 -12.992 -7.298 1.399 1.00 0.00 O ATOM 0 H SER A 9 -11.807 -4.906 3.236 1.00 0.00 H new ATOM 0 HA SER A 9 -10.986 -7.770 3.049 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.726 -5.776 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.113 -7.393 0.587 1.00 0.00 H new ATOM 0 HG SER A 9 -13.421 -7.305 0.518 1.00 0.00 H new ATOM 124 N HIS A 10 -8.679 -7.044 3.169 1.00 0.00 N ATOM 125 CA HIS A 10 -7.267 -6.703 3.119 1.00 0.00 C ATOM 126 C HIS A 10 -6.428 -7.973 3.282 1.00 0.00 C ATOM 127 O HIS A 10 -5.420 -7.997 3.976 1.00 0.00 O ATOM 128 CB HIS A 10 -6.947 -5.703 4.230 1.00 0.00 C ATOM 129 CG HIS A 10 -7.223 -6.338 5.573 1.00 0.00 C ATOM 130 ND1 HIS A 10 -6.272 -6.899 6.352 1.00 0.00 N ATOM 131 CD2 HIS A 10 -8.458 -6.459 6.235 1.00 0.00 C ATOM 132 CE1 HIS A 10 -6.898 -7.348 7.452 1.00 0.00 C ATOM 133 NE2 HIS A 10 -8.218 -7.094 7.406 1.00 0.00 N ATOM 0 H HIS A 10 -8.917 -7.867 3.723 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.030 -6.248 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.903 -5.396 4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.551 -4.804 4.110 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.276 -6.968 6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.416 -6.111 5.877 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.404 -7.850 8.271 1.00 0.00 H new ATOM 141 N GLU A 11 -6.919 -9.022 2.595 1.00 0.00 N ATOM 142 CA GLU A 11 -6.235 -10.288 2.664 1.00 0.00 C ATOM 143 C GLU A 11 -4.945 -10.241 1.854 1.00 0.00 C ATOM 144 O GLU A 11 -3.844 -10.356 2.379 1.00 0.00 O ATOM 145 CB GLU A 11 -7.170 -11.350 2.111 1.00 0.00 C ATOM 146 CG GLU A 11 -7.262 -12.551 3.038 1.00 0.00 C ATOM 147 CD GLU A 11 -5.882 -13.192 3.208 1.00 0.00 C ATOM 148 OE1 GLU A 11 -4.909 -12.457 3.367 1.00 0.00 O ATOM 149 OE2 GLU A 11 -5.797 -14.419 3.179 1.00 0.00 O ATOM 0 H GLU A 11 -7.756 -9.004 2.012 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.968 -10.518 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.163 -10.923 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.817 -11.672 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.650 -12.242 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.963 -13.281 2.632 1.00 0.00 H new ATOM 156 N LYS A 12 -5.162 -10.069 0.541 1.00 0.00 N ATOM 157 CA LYS A 12 -4.023 -10.018 -0.354 1.00 0.00 C ATOM 158 C LYS A 12 -3.016 -11.100 0.058 1.00 0.00 C ATOM 159 O LYS A 12 -3.358 -12.056 0.743 1.00 0.00 O ATOM 160 CB LYS A 12 -3.427 -8.621 -0.271 1.00 0.00 C ATOM 161 CG LYS A 12 -4.128 -7.640 -1.215 1.00 0.00 C ATOM 162 CD LYS A 12 -4.436 -8.271 -2.572 1.00 0.00 C ATOM 163 CE LYS A 12 -4.632 -7.206 -3.650 1.00 0.00 C ATOM 164 NZ LYS A 12 -5.791 -6.362 -3.390 1.00 0.00 N ATOM 0 H LYS A 12 -6.077 -9.968 0.101 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.311 -10.214 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.503 -8.255 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.366 -8.665 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.055 -7.296 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.498 -6.762 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.621 -8.936 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.335 -8.883 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.739 -6.584 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.748 -7.691 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.456 -6.431 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.261 -6.677 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.484 -5.374 -3.280 1.00 0.00 H new ATOM 178 N MET A 13 -1.761 -10.898 -0.393 1.00 0.00 N ATOM 179 CA MET A 13 -0.758 -11.891 -0.044 1.00 0.00 C ATOM 180 C MET A 13 0.662 -11.328 -0.173 1.00 0.00 C ATOM 181 O MET A 13 1.450 -11.380 0.763 1.00 0.00 O ATOM 182 CB MET A 13 -0.928 -13.122 -0.930 1.00 0.00 C ATOM 183 CG MET A 13 -1.050 -14.400 -0.098 1.00 0.00 C ATOM 184 SD MET A 13 0.538 -14.856 0.617 1.00 0.00 S ATOM 185 CE MET A 13 0.204 -14.358 2.315 1.00 0.00 C ATOM 0 H MET A 13 -1.444 -10.111 -0.959 1.00 0.00 H new ATOM 0 HA MET A 13 -0.902 -12.172 0.999 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.816 -13.005 -1.551 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.076 -13.206 -1.605 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.782 -14.253 0.696 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.418 -15.213 -0.724 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.799 -14.966 2.996 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.465 -13.308 2.444 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.855 -14.498 2.534 1.00 0.00 H new ATOM 195 N PRO A 14 0.959 -10.787 -1.381 1.00 0.00 N ATOM 196 CA PRO A 14 2.266 -10.245 -1.684 1.00 0.00 C ATOM 197 C PRO A 14 2.394 -8.820 -1.184 1.00 0.00 C ATOM 198 O PRO A 14 3.039 -8.520 -0.188 1.00 0.00 O ATOM 199 CB PRO A 14 2.332 -10.222 -3.211 1.00 0.00 C ATOM 200 CG PRO A 14 0.875 -10.254 -3.693 1.00 0.00 C ATOM 201 CD PRO A 14 0.025 -10.680 -2.490 1.00 0.00 C ATOM 0 HA PRO A 14 3.054 -10.835 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.842 -9.327 -3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.889 -11.079 -3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.566 -9.275 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.756 -10.955 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.754 -9.947 -2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.474 -11.631 -2.678 1.00 0.00 H new ATOM 209 N TRP A 15 1.690 -7.977 -1.946 1.00 0.00 N ATOM 210 CA TRP A 15 1.705 -6.554 -1.624 1.00 0.00 C ATOM 211 C TRP A 15 0.989 -6.286 -0.292 1.00 0.00 C ATOM 212 O TRP A 15 0.765 -5.144 0.084 1.00 0.00 O ATOM 213 CB TRP A 15 1.070 -5.710 -2.757 1.00 0.00 C ATOM 214 CG TRP A 15 -0.083 -6.423 -3.465 1.00 0.00 C ATOM 215 CD1 TRP A 15 -0.838 -7.482 -2.965 1.00 0.00 C ATOM 216 CD2 TRP A 15 -0.588 -6.136 -4.773 1.00 0.00 C ATOM 217 NE1 TRP A 15 -1.771 -7.857 -3.888 1.00 0.00 N ATOM 218 CE2 TRP A 15 -1.654 -7.053 -5.022 1.00 0.00 C ATOM 219 CE3 TRP A 15 -0.230 -5.198 -5.732 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -2.347 -7.020 -6.225 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -0.930 -5.155 -6.965 1.00 0.00 C ATOM 222 CH2 TRP A 15 -1.990 -6.067 -7.211 1.00 0.00 C ATOM 0 H TRP A 15 1.127 -8.242 -2.754 1.00 0.00 H new ATOM 0 HA TRP A 15 2.748 -6.253 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.707 -4.770 -2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.838 -5.459 -3.489 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.705 -7.937 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.449 -8.609 -3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.576 -4.505 -5.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.152 -7.716 -6.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.657 -4.429 -7.716 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.524 -6.034 -8.149 1.00 0.00 H new ATOM 233 N PHE A 16 0.660 -7.395 0.405 1.00 0.00 N ATOM 234 CA PHE A 16 -0.002 -7.227 1.679 1.00 0.00 C ATOM 235 C PHE A 16 0.623 -8.132 2.732 1.00 0.00 C ATOM 236 O PHE A 16 0.131 -9.214 3.028 1.00 0.00 O ATOM 237 CB PHE A 16 -1.472 -7.553 1.536 1.00 0.00 C ATOM 238 CG PHE A 16 -2.199 -7.187 2.796 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.695 -5.874 2.987 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.342 -8.139 3.836 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.319 -5.517 4.205 1.00 0.00 C ATOM 242 CE2 PHE A 16 -2.966 -7.781 5.052 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.454 -6.470 5.236 1.00 0.00 C ATOM 0 H PHE A 16 0.837 -8.357 0.114 1.00 0.00 H new ATOM 0 HA PHE A 16 0.114 -6.191 1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.894 -7.009 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.600 -8.615 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.596 -5.142 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.972 -9.144 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.693 -4.513 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.069 -8.511 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.931 -6.196 6.166 1.00 0.00 H new ATOM 253 N HIS A 17 1.732 -7.616 3.279 1.00 0.00 N ATOM 254 CA HIS A 17 2.396 -8.372 4.320 1.00 0.00 C ATOM 255 C HIS A 17 2.166 -7.670 5.654 1.00 0.00 C ATOM 256 O HIS A 17 2.571 -6.535 5.869 1.00 0.00 O ATOM 257 CB HIS A 17 3.884 -8.482 4.025 1.00 0.00 C ATOM 258 CG HIS A 17 4.145 -9.726 3.210 1.00 0.00 C ATOM 259 ND1 HIS A 17 5.115 -10.623 3.492 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.460 -10.167 2.064 1.00 0.00 C ATOM 261 CE1 HIS A 17 5.030 -11.582 2.554 1.00 0.00 C ATOM 262 NE2 HIS A 17 4.039 -11.329 1.681 1.00 0.00 N ATOM 0 H HIS A 17 2.162 -6.726 3.028 1.00 0.00 H new ATOM 0 HA HIS A 17 1.987 -9.381 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.224 -7.600 3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.449 -8.520 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.630 -9.673 1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.676 -12.446 2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.774 -11.904 0.881 1.00 0.00 H new ATOM 270 N GLY A 18 1.488 -8.428 6.527 1.00 0.00 N ATOM 271 CA GLY A 18 1.191 -7.882 7.837 1.00 0.00 C ATOM 272 C GLY A 18 2.305 -8.210 8.838 1.00 0.00 C ATOM 273 O GLY A 18 2.069 -8.427 10.021 1.00 0.00 O ATOM 0 H GLY A 18 1.153 -9.376 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.070 -6.801 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.245 -8.286 8.196 1.00 0.00 H new ATOM 277 N LYS A 19 3.528 -8.229 8.276 1.00 0.00 N ATOM 278 CA LYS A 19 4.679 -8.526 9.111 1.00 0.00 C ATOM 279 C LYS A 19 5.678 -7.375 9.023 1.00 0.00 C ATOM 280 O LYS A 19 6.036 -6.749 10.012 1.00 0.00 O ATOM 281 CB LYS A 19 5.321 -9.828 8.637 1.00 0.00 C ATOM 282 CG LYS A 19 6.091 -10.521 9.762 1.00 0.00 C ATOM 283 CD LYS A 19 7.328 -9.722 10.175 1.00 0.00 C ATOM 284 CE LYS A 19 8.132 -10.450 11.253 1.00 0.00 C ATOM 285 NZ LYS A 19 8.760 -11.667 10.751 1.00 0.00 N ATOM 0 H LYS A 19 3.729 -8.050 7.292 1.00 0.00 H new ATOM 0 HA LYS A 19 4.368 -8.643 10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.549 -10.498 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.997 -9.620 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.437 -10.651 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.392 -11.517 9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.959 -9.550 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.023 -8.743 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.900 -9.782 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.475 -10.700 12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.438 -12.023 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.031 -12.388 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.260 -11.459 9.863 1.00 0.00 H new ATOM 299 N ILE A 20 6.100 -7.147 7.766 1.00 0.00 N ATOM 300 CA ILE A 20 7.056 -6.076 7.532 1.00 0.00 C ATOM 301 C ILE A 20 6.615 -4.822 8.283 1.00 0.00 C ATOM 302 O ILE A 20 5.439 -4.602 8.542 1.00 0.00 O ATOM 303 CB ILE A 20 7.171 -5.787 6.035 1.00 0.00 C ATOM 304 CG1 ILE A 20 5.875 -6.149 5.301 1.00 0.00 C ATOM 305 CG2 ILE A 20 8.346 -6.557 5.441 1.00 0.00 C ATOM 306 CD1 ILE A 20 5.667 -5.282 4.057 1.00 0.00 C ATOM 0 H ILE A 20 5.806 -7.667 6.940 1.00 0.00 H new ATOM 0 HA ILE A 20 8.035 -6.384 7.899 1.00 0.00 H new ATOM 0 HB ILE A 20 7.344 -4.718 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.902 -7.200 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.028 -6.026 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.419 -6.344 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.268 -6.252 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.192 -7.626 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.738 -5.569 3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.614 -4.233 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.501 -5.425 3.370 1.00 0.00 H new ATOM 318 N SER A 21 7.646 -4.022 8.614 1.00 0.00 N ATOM 319 CA SER A 21 7.366 -2.797 9.338 1.00 0.00 C ATOM 320 C SER A 21 7.147 -1.655 8.348 1.00 0.00 C ATOM 321 O SER A 21 6.040 -1.367 7.911 1.00 0.00 O ATOM 322 CB SER A 21 8.519 -2.493 10.295 1.00 0.00 C ATOM 323 OG SER A 21 8.328 -1.251 10.923 1.00 0.00 O ATOM 0 H SER A 21 8.627 -4.199 8.400 1.00 0.00 H new ATOM 0 HA SER A 21 6.457 -2.912 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.591 -3.279 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.461 -2.488 9.747 1.00 0.00 H new ATOM 0 HG SER A 21 9.075 -1.074 11.533 1.00 0.00 H new ATOM 329 N ARG A 22 8.290 -1.036 8.040 1.00 0.00 N ATOM 330 CA ARG A 22 8.285 0.076 7.104 1.00 0.00 C ATOM 331 C ARG A 22 9.589 0.016 6.319 1.00 0.00 C ATOM 332 O ARG A 22 9.631 0.125 5.099 1.00 0.00 O ATOM 333 CB ARG A 22 8.189 1.395 7.863 1.00 0.00 C ATOM 334 CG ARG A 22 8.209 2.587 6.911 1.00 0.00 C ATOM 335 CD ARG A 22 9.034 3.742 7.474 1.00 0.00 C ATOM 336 NE ARG A 22 10.377 3.289 7.788 1.00 0.00 N ATOM 337 CZ ARG A 22 11.104 3.986 8.681 1.00 0.00 C ATOM 338 NH1 ARG A 22 10.591 5.070 9.259 1.00 0.00 N ATOM 339 NH2 ARG A 22 12.336 3.591 8.986 1.00 0.00 N ATOM 0 H ARG A 22 9.205 -1.282 8.417 1.00 0.00 H new ATOM 0 HA ARG A 22 7.430 0.011 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.271 1.412 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.019 1.474 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.621 2.279 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.189 2.924 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.076 4.556 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.556 4.137 8.370 1.00 0.00 H new ATOM 0 HE ARG A 22 10.763 2.458 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.646 5.374 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.143 5.597 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.730 2.761 8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.888 4.118 9.663 1.00 0.00 H new ATOM 353 N GLU A 23 10.644 -0.169 7.129 1.00 0.00 N ATOM 354 CA GLU A 23 11.960 -0.288 6.573 1.00 0.00 C ATOM 355 C GLU A 23 12.065 -1.642 5.895 1.00 0.00 C ATOM 356 O GLU A 23 12.567 -1.796 4.791 1.00 0.00 O ATOM 357 CB GLU A 23 12.945 -0.184 7.729 1.00 0.00 C ATOM 358 CG GLU A 23 13.281 -1.534 8.355 1.00 0.00 C ATOM 359 CD GLU A 23 14.380 -1.358 9.405 1.00 0.00 C ATOM 360 OE1 GLU A 23 14.052 -1.068 10.554 1.00 0.00 O ATOM 361 OE2 GLU A 23 15.551 -1.513 9.061 1.00 0.00 O ATOM 0 H GLU A 23 10.594 -0.235 8.146 1.00 0.00 H new ATOM 0 HA GLU A 23 12.172 0.489 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.864 0.284 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.529 0.471 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.391 -1.964 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.610 -2.231 7.584 1.00 0.00 H new ATOM 368 N GLU A 24 11.544 -2.602 6.664 1.00 0.00 N ATOM 369 CA GLU A 24 11.540 -3.968 6.187 1.00 0.00 C ATOM 370 C GLU A 24 10.919 -4.031 4.786 1.00 0.00 C ATOM 371 O GLU A 24 11.367 -4.767 3.914 1.00 0.00 O ATOM 372 CB GLU A 24 10.753 -4.824 7.172 1.00 0.00 C ATOM 373 CG GLU A 24 11.094 -4.461 8.618 1.00 0.00 C ATOM 374 CD GLU A 24 12.565 -4.772 8.900 1.00 0.00 C ATOM 375 OE1 GLU A 24 13.184 -5.465 8.094 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.076 -4.315 9.922 1.00 0.00 O ATOM 0 H GLU A 24 11.135 -2.458 7.587 1.00 0.00 H new ATOM 0 HA GLU A 24 12.560 -4.347 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.685 -4.688 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.972 -5.877 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.897 -3.403 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.457 -5.021 9.303 1.00 0.00 H new ATOM 383 N SER A 25 9.874 -3.197 4.628 1.00 0.00 N ATOM 384 CA SER A 25 9.189 -3.167 3.341 1.00 0.00 C ATOM 385 C SER A 25 9.922 -2.262 2.337 1.00 0.00 C ATOM 386 O SER A 25 9.759 -2.389 1.130 1.00 0.00 O ATOM 387 CB SER A 25 7.762 -2.670 3.551 1.00 0.00 C ATOM 388 OG SER A 25 7.370 -2.835 4.890 1.00 0.00 O ATOM 0 H SER A 25 9.506 -2.568 5.341 1.00 0.00 H new ATOM 0 HA SER A 25 9.177 -4.175 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.694 -1.618 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.082 -3.216 2.898 1.00 0.00 H new ATOM 0 HG SER A 25 6.522 -2.368 5.042 1.00 0.00 H new ATOM 394 N GLU A 26 10.733 -1.347 2.906 1.00 0.00 N ATOM 395 CA GLU A 26 11.459 -0.433 2.061 1.00 0.00 C ATOM 396 C GLU A 26 12.774 -1.067 1.576 1.00 0.00 C ATOM 397 O GLU A 26 13.363 -0.642 0.589 1.00 0.00 O ATOM 398 CB GLU A 26 11.705 0.829 2.875 1.00 0.00 C ATOM 399 CG GLU A 26 13.094 1.395 2.638 1.00 0.00 C ATOM 400 CD GLU A 26 13.319 2.626 3.518 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.810 2.647 4.638 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.999 3.549 3.074 1.00 0.00 O ATOM 0 H GLU A 26 10.886 -1.237 3.909 1.00 0.00 H new ATOM 0 HA GLU A 26 10.889 -0.191 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.958 1.579 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.579 0.607 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.846 0.638 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.211 1.663 1.588 1.00 0.00 H new ATOM 409 N GLN A 27 13.189 -2.104 2.328 1.00 0.00 N ATOM 410 CA GLN A 27 14.402 -2.802 1.936 1.00 0.00 C ATOM 411 C GLN A 27 14.005 -3.789 0.844 1.00 0.00 C ATOM 412 O GLN A 27 14.766 -4.119 -0.053 1.00 0.00 O ATOM 413 CB GLN A 27 15.023 -3.522 3.133 1.00 0.00 C ATOM 414 CG GLN A 27 14.004 -4.401 3.854 1.00 0.00 C ATOM 415 CD GLN A 27 14.704 -5.233 4.931 1.00 0.00 C ATOM 416 OE1 GLN A 27 14.788 -6.452 4.854 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.196 -4.485 5.934 1.00 0.00 N ATOM 0 H GLN A 27 12.723 -2.454 3.165 1.00 0.00 H new ATOM 0 HA GLN A 27 15.155 -2.105 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.858 -4.135 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.428 -2.788 3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.231 -3.780 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.508 -5.058 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.081 -3.472 5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.684 -4.931 6.711 1.00 0.00 H new ATOM 426 N ILE A 28 12.746 -4.229 0.991 1.00 0.00 N ATOM 427 CA ILE A 28 12.206 -5.114 0.016 1.00 0.00 C ATOM 428 C ILE A 28 12.083 -4.357 -1.292 1.00 0.00 C ATOM 429 O ILE A 28 12.399 -4.842 -2.371 1.00 0.00 O ATOM 430 CB ILE A 28 10.846 -5.546 0.531 1.00 0.00 C ATOM 431 CG1 ILE A 28 10.963 -6.829 1.327 1.00 0.00 C ATOM 432 CG2 ILE A 28 9.850 -5.715 -0.605 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.863 -6.909 2.377 1.00 0.00 C ATOM 0 H ILE A 28 12.121 -3.982 1.758 1.00 0.00 H new ATOM 0 HA ILE A 28 12.832 -5.990 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 28 10.474 -4.759 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.897 -7.686 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.939 -6.876 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.886 -6.025 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.735 -4.768 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.214 -6.474 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.963 -7.838 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.948 -6.062 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.890 -6.885 1.887 1.00 0.00 H new ATOM 445 N VAL A 29 11.574 -3.140 -1.107 1.00 0.00 N ATOM 446 CA VAL A 29 11.433 -2.280 -2.252 1.00 0.00 C ATOM 447 C VAL A 29 12.797 -2.060 -2.888 1.00 0.00 C ATOM 448 O VAL A 29 12.927 -1.832 -4.083 1.00 0.00 O ATOM 449 CB VAL A 29 10.851 -0.946 -1.777 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.345 0.198 -2.652 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.322 -0.975 -1.748 1.00 0.00 C ATOM 0 H VAL A 29 11.269 -2.751 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 29 10.772 -2.730 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 29 11.199 -0.782 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.920 1.137 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.433 0.251 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.037 0.027 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.946 -0.011 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.943 -1.177 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.986 -1.758 -1.068 1.00 0.00 H new ATOM 461 N LEU A 30 13.799 -2.137 -2.010 1.00 0.00 N ATOM 462 CA LEU A 30 15.127 -1.964 -2.475 1.00 0.00 C ATOM 463 C LEU A 30 15.412 -3.055 -3.504 1.00 0.00 C ATOM 464 O LEU A 30 16.107 -2.860 -4.493 1.00 0.00 O ATOM 465 CB LEU A 30 16.013 -2.088 -1.242 1.00 0.00 C ATOM 466 CG LEU A 30 16.838 -3.364 -1.230 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.081 -3.212 -2.090 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.219 -3.736 0.186 1.00 0.00 C ATOM 0 H LEU A 30 13.698 -2.313 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 30 15.303 -1.004 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.682 -1.229 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.389 -2.057 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 30 16.229 -4.166 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.656 -4.138 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.788 -2.993 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.692 -2.396 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.809 -4.652 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.806 -2.931 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.316 -3.893 0.776 1.00 0.00 H new ATOM 480 N ILE A 31 14.809 -4.217 -3.180 1.00 0.00 N ATOM 481 CA ILE A 31 14.976 -5.349 -4.035 1.00 0.00 C ATOM 482 C ILE A 31 14.296 -5.081 -5.347 1.00 0.00 C ATOM 483 O ILE A 31 14.900 -4.957 -6.405 1.00 0.00 O ATOM 484 CB ILE A 31 14.311 -6.586 -3.439 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.189 -6.549 -1.927 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.050 -7.808 -3.881 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.279 -7.372 -1.238 1.00 0.00 C ATOM 0 H ILE A 31 14.227 -4.369 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 31 16.046 -5.519 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 31 13.287 -6.607 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.246 -5.516 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.210 -6.928 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.576 -8.693 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.029 -7.872 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.084 -7.751 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.150 -7.315 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.207 -8.412 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.258 -6.977 -1.508 1.00 0.00 H new ATOM 499 N GLY A 32 12.973 -5.010 -5.174 1.00 0.00 N ATOM 500 CA GLY A 32 12.142 -4.832 -6.332 1.00 0.00 C ATOM 501 C GLY A 32 11.610 -3.407 -6.471 1.00 0.00 C ATOM 502 O GLY A 32 11.341 -2.721 -5.496 1.00 0.00 O ATOM 0 H GLY A 32 12.486 -5.071 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.712 -5.090 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.302 -5.524 -6.279 1.00 0.00 H new ATOM 506 N SER A 33 11.485 -3.049 -7.769 1.00 0.00 N ATOM 507 CA SER A 33 10.981 -1.730 -8.141 1.00 0.00 C ATOM 508 C SER A 33 11.823 -1.208 -9.310 1.00 0.00 C ATOM 509 O SER A 33 12.026 -1.904 -10.297 1.00 0.00 O ATOM 510 CB SER A 33 10.995 -0.771 -6.947 1.00 0.00 C ATOM 511 OG SER A 33 10.642 0.529 -7.345 1.00 0.00 O ATOM 0 H SER A 33 11.725 -3.651 -8.556 1.00 0.00 H new ATOM 0 HA SER A 33 9.939 -1.803 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.301 -1.123 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.987 -0.761 -6.495 1.00 0.00 H new ATOM 0 HG SER A 33 9.668 0.592 -7.429 1.00 0.00 H new ATOM 517 N LYS A 34 12.295 0.049 -9.145 1.00 0.00 N ATOM 518 CA LYS A 34 13.112 0.625 -10.204 1.00 0.00 C ATOM 519 C LYS A 34 12.227 1.183 -11.302 1.00 0.00 C ATOM 520 O LYS A 34 12.280 2.349 -11.675 1.00 0.00 O ATOM 521 CB LYS A 34 13.978 -0.471 -10.804 1.00 0.00 C ATOM 522 CG LYS A 34 15.288 0.081 -11.340 1.00 0.00 C ATOM 523 CD LYS A 34 16.327 0.249 -10.230 1.00 0.00 C ATOM 524 CE LYS A 34 17.636 0.826 -10.768 1.00 0.00 C ATOM 525 NZ LYS A 34 18.671 0.899 -9.744 1.00 0.00 N ATOM 0 H LYS A 34 12.130 0.644 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 34 13.725 1.424 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.184 -1.228 -10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.434 -0.965 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.679 -0.589 -12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.109 1.043 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.930 0.906 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.519 -0.716 -9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.989 0.210 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.453 1.823 -11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.539 1.296 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.347 1.508 -8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.866 -0.055 -9.379 1.00 0.00 H new ATOM 539 N THR A 35 11.416 0.237 -11.781 1.00 0.00 N ATOM 540 CA THR A 35 10.506 0.522 -12.873 1.00 0.00 C ATOM 541 C THR A 35 9.529 1.665 -12.573 1.00 0.00 C ATOM 542 O THR A 35 8.662 1.996 -13.373 1.00 0.00 O ATOM 543 CB THR A 35 9.737 -0.755 -13.162 1.00 0.00 C ATOM 544 OG1 THR A 35 10.344 -1.843 -12.503 1.00 0.00 O ATOM 545 CG2 THR A 35 9.678 -1.043 -14.649 1.00 0.00 C ATOM 0 H THR A 35 11.376 -0.720 -11.429 1.00 0.00 H new ATOM 0 HA THR A 35 11.090 0.853 -13.732 1.00 0.00 H new ATOM 0 HB THR A 35 8.719 -0.618 -12.796 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.841 -2.662 -12.693 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.120 -1.964 -14.819 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.181 -0.218 -15.160 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.690 -1.154 -15.038 1.00 0.00 H new ATOM 553 N ASN A 36 9.724 2.233 -11.390 1.00 0.00 N ATOM 554 CA ASN A 36 8.866 3.332 -10.994 1.00 0.00 C ATOM 555 C ASN A 36 7.409 2.901 -11.121 1.00 0.00 C ATOM 556 O ASN A 36 6.817 2.916 -12.193 1.00 0.00 O ATOM 557 CB ASN A 36 9.147 4.537 -11.886 1.00 0.00 C ATOM 558 CG ASN A 36 8.210 5.689 -11.517 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.479 5.640 -10.535 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.286 6.722 -12.375 1.00 0.00 N ATOM 0 H ASN A 36 10.439 1.963 -10.715 1.00 0.00 H new ATOM 0 HA ASN A 36 9.063 3.608 -9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.185 4.850 -11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.009 4.266 -12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.705 7.548 -12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.924 6.679 -13.169 1.00 0.00 H new ATOM 567 N GLY A 37 6.880 2.520 -9.950 1.00 0.00 N ATOM 568 CA GLY A 37 5.498 2.078 -9.920 1.00 0.00 C ATOM 569 C GLY A 37 5.294 0.886 -8.975 1.00 0.00 C ATOM 570 O GLY A 37 4.177 0.431 -8.762 1.00 0.00 O ATOM 0 H GLY A 37 7.369 2.511 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.860 2.904 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.185 1.800 -10.926 1.00 0.00 H new ATOM 574 N LYS A 38 6.431 0.408 -8.423 1.00 0.00 N ATOM 575 CA LYS A 38 6.313 -0.711 -7.519 1.00 0.00 C ATOM 576 C LYS A 38 5.683 -0.213 -6.238 1.00 0.00 C ATOM 577 O LYS A 38 5.881 0.920 -5.827 1.00 0.00 O ATOM 578 CB LYS A 38 7.679 -1.294 -7.233 1.00 0.00 C ATOM 579 CG LYS A 38 7.586 -2.765 -6.835 1.00 0.00 C ATOM 580 CD LYS A 38 7.928 -3.685 -8.002 1.00 0.00 C ATOM 581 CE LYS A 38 8.834 -4.827 -7.560 1.00 0.00 C ATOM 582 NZ LYS A 38 8.088 -5.958 -7.023 1.00 0.00 N ATOM 0 H LYS A 38 7.373 0.764 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 38 5.696 -1.492 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.311 -1.194 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.157 -0.729 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.265 -2.962 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.578 -2.984 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.011 -4.090 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.419 -3.112 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.432 -5.161 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.529 -4.463 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.459 -6.204 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.083 -5.704 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.189 -6.774 -7.660 1.00 0.00 H new ATOM 596 N PHE A 39 4.928 -1.124 -5.631 1.00 0.00 N ATOM 597 CA PHE A 39 4.271 -0.714 -4.397 1.00 0.00 C ATOM 598 C PHE A 39 3.844 -1.911 -3.553 1.00 0.00 C ATOM 599 O PHE A 39 3.632 -3.011 -4.038 1.00 0.00 O ATOM 600 CB PHE A 39 3.056 0.157 -4.736 1.00 0.00 C ATOM 601 CG PHE A 39 1.882 -0.663 -5.200 1.00 0.00 C ATOM 602 CD1 PHE A 39 1.801 -1.113 -6.539 1.00 0.00 C ATOM 603 CD2 PHE A 39 0.835 -0.974 -4.299 1.00 0.00 C ATOM 604 CE1 PHE A 39 0.684 -1.864 -6.973 1.00 0.00 C ATOM 605 CE2 PHE A 39 -0.281 -1.724 -4.732 1.00 0.00 C ATOM 606 CZ PHE A 39 -0.357 -2.168 -6.069 1.00 0.00 C ATOM 0 H PHE A 39 4.763 -2.081 -5.943 1.00 0.00 H new ATOM 0 HA PHE A 39 4.985 -0.142 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.769 0.735 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.328 0.871 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.596 -0.882 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.890 -0.636 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.627 -2.205 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.076 -1.958 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.211 -2.740 -6.401 1.00 0.00 H new ATOM 616 N LEU A 40 3.715 -1.590 -2.254 1.00 0.00 N ATOM 617 CA LEU A 40 3.283 -2.610 -1.316 1.00 0.00 C ATOM 618 C LEU A 40 2.503 -1.953 -0.178 1.00 0.00 C ATOM 619 O LEU A 40 2.924 -0.959 0.400 1.00 0.00 O ATOM 620 CB LEU A 40 4.501 -3.344 -0.764 1.00 0.00 C ATOM 621 CG LEU A 40 5.254 -2.487 0.254 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.551 -2.518 1.613 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.696 -2.973 0.392 1.00 0.00 C ATOM 0 H LEU A 40 3.897 -0.670 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 40 2.638 -3.328 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.185 -4.276 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.169 -3.611 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 40 5.263 -1.457 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.103 -1.902 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.538 -2.130 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.510 -3.544 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.221 -2.354 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.700 -4.010 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.198 -2.902 -0.573 1.00 0.00 H new ATOM 635 N ILE A 41 1.338 -2.567 0.096 1.00 0.00 N ATOM 636 CA ILE A 41 0.524 -2.047 1.181 1.00 0.00 C ATOM 637 C ILE A 41 0.886 -2.806 2.455 1.00 0.00 C ATOM 638 O ILE A 41 1.287 -3.963 2.422 1.00 0.00 O ATOM 639 CB ILE A 41 -0.958 -2.214 0.856 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.816 -1.701 2.012 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.282 -3.678 0.571 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.492 -0.245 2.352 1.00 0.00 C ATOM 0 H ILE A 41 0.964 -3.379 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 41 0.715 -0.983 1.319 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.183 -1.628 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.870 -1.788 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.654 -2.325 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.343 -3.778 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.693 -4.022 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.042 -4.281 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.122 0.084 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.444 -0.163 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.679 0.382 1.481 1.00 0.00 H new ATOM 654 N ARG A 42 0.721 -2.082 3.572 1.00 0.00 N ATOM 655 CA ARG A 42 1.052 -2.703 4.843 1.00 0.00 C ATOM 656 C ARG A 42 0.116 -2.195 5.936 1.00 0.00 C ATOM 657 O ARG A 42 -0.459 -1.116 5.853 1.00 0.00 O ATOM 658 CB ARG A 42 2.499 -2.376 5.195 1.00 0.00 C ATOM 659 CG ARG A 42 2.785 -0.884 5.027 1.00 0.00 C ATOM 660 CD ARG A 42 3.917 -0.419 5.941 1.00 0.00 C ATOM 661 NE ARG A 42 4.110 1.014 5.804 1.00 0.00 N ATOM 662 CZ ARG A 42 4.650 1.699 6.830 1.00 0.00 C ATOM 663 NH1 ARG A 42 5.003 1.068 7.946 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.830 3.013 6.726 1.00 0.00 N ATOM 0 H ARG A 42 0.380 -1.122 3.616 1.00 0.00 H new ATOM 0 HA ARG A 42 0.932 -3.783 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.702 -2.674 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.170 -2.952 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.048 -0.678 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.882 -0.314 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.683 -0.665 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.838 -0.944 5.688 1.00 0.00 H new ATOM 0 HE ARG A 42 3.841 1.494 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.865 0.061 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.412 1.591 8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.559 3.499 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.239 3.535 7.501 1.00 0.00 H new ATOM 678 N ALA A 43 0.011 -3.056 6.963 1.00 0.00 N ATOM 679 CA ALA A 43 -0.836 -2.705 8.088 1.00 0.00 C ATOM 680 C ALA A 43 0.050 -2.439 9.309 1.00 0.00 C ATOM 681 O ALA A 43 1.142 -1.892 9.204 1.00 0.00 O ATOM 682 CB ALA A 43 -1.816 -3.847 8.357 1.00 0.00 C ATOM 0 H ALA A 43 0.483 -3.958 7.028 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.411 -1.805 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.454 -3.587 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.433 -4.013 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.261 -4.756 8.588 1.00 0.00 H new ATOM 688 N ARG A 44 -0.488 -2.864 10.467 1.00 0.00 N ATOM 689 CA ARG A 44 0.266 -2.671 11.694 1.00 0.00 C ATOM 690 C ARG A 44 -0.073 -3.785 12.686 1.00 0.00 C ATOM 691 O ARG A 44 0.792 -4.355 13.339 1.00 0.00 O ATOM 692 CB ARG A 44 -0.058 -1.301 12.286 1.00 0.00 C ATOM 693 CG ARG A 44 -1.550 -0.981 12.200 1.00 0.00 C ATOM 694 CD ARG A 44 -1.898 0.267 13.010 1.00 0.00 C ATOM 695 NE ARG A 44 -1.392 0.137 14.364 1.00 0.00 N ATOM 696 CZ ARG A 44 -1.163 1.253 15.081 1.00 0.00 C ATOM 697 NH1 ARG A 44 -1.413 2.449 14.555 1.00 0.00 N ATOM 698 NH2 ARG A 44 -0.687 1.159 16.319 1.00 0.00 N ATOM 0 H ARG A 44 -1.395 -3.319 10.568 1.00 0.00 H new ATOM 0 HA ARG A 44 1.334 -2.711 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.260 -1.272 13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.509 -0.534 11.758 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.832 -0.831 11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.128 -1.829 12.568 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.469 1.150 12.536 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.979 0.409 13.029 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.213 -0.784 14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.779 2.522 13.606 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.238 3.293 15.101 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.496 0.242 16.724 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.513 2.003 16.864 1.00 0.00 H new ATOM 712 N ASP A 45 -1.388 -4.054 12.748 1.00 0.00 N ATOM 713 CA ASP A 45 -1.846 -5.094 13.652 1.00 0.00 C ATOM 714 C ASP A 45 -3.354 -5.272 13.497 1.00 0.00 C ATOM 715 O ASP A 45 -4.151 -4.448 13.927 1.00 0.00 O ATOM 716 CB ASP A 45 -1.495 -4.711 15.086 1.00 0.00 C ATOM 717 CG ASP A 45 -1.840 -5.864 16.031 1.00 0.00 C ATOM 718 OD1 ASP A 45 -2.932 -6.417 15.908 1.00 0.00 O ATOM 719 OD2 ASP A 45 -1.012 -6.197 16.878 1.00 0.00 O ATOM 0 H ASP A 45 -2.114 -3.585 12.206 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.355 -6.037 13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.434 -4.474 15.159 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.042 -3.814 15.377 1.00 0.00 H new ATOM 724 N ASN A 46 -3.685 -6.406 12.853 1.00 0.00 N ATOM 725 CA ASN A 46 -5.091 -6.696 12.637 1.00 0.00 C ATOM 726 C ASN A 46 -5.746 -5.508 11.918 1.00 0.00 C ATOM 727 O ASN A 46 -5.254 -5.020 10.908 1.00 0.00 O ATOM 728 CB ASN A 46 -5.760 -6.980 13.984 1.00 0.00 C ATOM 729 CG ASN A 46 -7.098 -7.689 13.763 1.00 0.00 C ATOM 730 OD1 ASN A 46 -7.841 -7.395 12.835 1.00 0.00 O ATOM 731 ND2 ASN A 46 -7.345 -8.641 14.679 1.00 0.00 N ATOM 0 H ASN A 46 -3.027 -7.098 12.494 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.208 -7.579 12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.108 -7.599 14.600 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.918 -6.047 14.525 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.208 -9.183 14.632 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.670 -8.822 15.422 1.00 0.00 H new ATOM 738 N ASN A 47 -6.881 -5.078 12.503 1.00 0.00 N ATOM 739 CA ASN A 47 -7.587 -3.958 11.907 1.00 0.00 C ATOM 740 C ASN A 47 -7.173 -2.665 12.607 1.00 0.00 C ATOM 741 O ASN A 47 -7.402 -2.469 13.794 1.00 0.00 O ATOM 742 CB ASN A 47 -9.092 -4.179 12.035 1.00 0.00 C ATOM 743 CG ASN A 47 -9.468 -4.355 13.508 1.00 0.00 C ATOM 744 OD1 ASN A 47 -9.241 -5.396 14.114 1.00 0.00 O ATOM 745 ND2 ASN A 47 -10.056 -3.266 14.034 1.00 0.00 N ATOM 0 H ASN A 47 -7.302 -5.473 13.344 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.333 -3.881 10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.630 -3.331 11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.389 -5.061 11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.351 -3.267 15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.207 -2.439 13.456 1.00 0.00 H new ATOM 752 N GLY A 48 -6.550 -1.800 11.786 1.00 0.00 N ATOM 753 CA GLY A 48 -6.102 -0.530 12.325 1.00 0.00 C ATOM 754 C GLY A 48 -5.891 0.496 11.209 1.00 0.00 C ATOM 755 O GLY A 48 -6.815 0.886 10.505 1.00 0.00 O ATOM 0 H GLY A 48 -6.358 -1.956 10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.837 -0.153 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.171 -0.672 12.874 1.00 0.00 H new ATOM 759 N SER A 49 -4.613 0.901 11.102 1.00 0.00 N ATOM 760 CA SER A 49 -4.276 1.876 10.080 1.00 0.00 C ATOM 761 C SER A 49 -3.177 1.312 9.181 1.00 0.00 C ATOM 762 O SER A 49 -2.115 0.904 9.636 1.00 0.00 O ATOM 763 CB SER A 49 -3.816 3.171 10.744 1.00 0.00 C ATOM 764 OG SER A 49 -4.825 3.688 11.574 1.00 0.00 O ATOM 0 H SER A 49 -3.839 0.581 11.684 1.00 0.00 H new ATOM 0 HA SER A 49 -5.153 2.090 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.916 2.986 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.554 3.904 9.981 1.00 0.00 H new ATOM 0 HG SER A 49 -4.512 4.517 11.992 1.00 0.00 H new ATOM 770 N TYR A 50 -3.508 1.319 7.878 1.00 0.00 N ATOM 771 CA TYR A 50 -2.548 0.808 6.912 1.00 0.00 C ATOM 772 C TYR A 50 -1.756 1.977 6.328 1.00 0.00 C ATOM 773 O TYR A 50 -1.966 3.134 6.672 1.00 0.00 O ATOM 774 CB TYR A 50 -3.281 0.058 5.796 1.00 0.00 C ATOM 775 CG TYR A 50 -4.199 -0.998 6.343 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.471 -0.643 6.856 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.807 -2.359 6.346 1.00 0.00 C ATOM 778 CE1 TYR A 50 -6.339 -1.635 7.365 1.00 0.00 C ATOM 779 CE2 TYR A 50 -4.676 -3.351 6.856 1.00 0.00 C ATOM 780 CZ TYR A 50 -5.942 -2.989 7.365 1.00 0.00 C ATOM 781 OH TYR A 50 -6.789 -3.959 7.862 1.00 0.00 O ATOM 0 H TYR A 50 -4.390 1.657 7.493 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.864 0.117 7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.856 0.766 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.553 -0.403 5.129 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.779 0.392 6.858 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.840 -2.640 5.957 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.307 -1.357 7.754 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.371 -4.387 6.856 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.719 -3.681 7.728 1.00 0.00 H new ATOM 791 N ALA A 51 -0.834 1.595 5.423 1.00 0.00 N ATOM 792 CA ALA A 51 -0.029 2.624 4.787 1.00 0.00 C ATOM 793 C ALA A 51 0.453 2.134 3.420 1.00 0.00 C ATOM 794 O ALA A 51 1.156 1.138 3.295 1.00 0.00 O ATOM 795 CB ALA A 51 1.157 2.987 5.679 1.00 0.00 C ATOM 0 H ALA A 51 -0.643 0.635 5.136 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.636 3.518 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.754 3.759 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.792 3.359 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.772 2.102 5.844 1.00 0.00 H new ATOM 801 N LEU A 52 0.016 2.911 2.413 1.00 0.00 N ATOM 802 CA LEU A 52 0.396 2.587 1.045 1.00 0.00 C ATOM 803 C LEU A 52 1.818 3.080 0.780 1.00 0.00 C ATOM 804 O LEU A 52 2.114 4.259 0.869 1.00 0.00 O ATOM 805 CB LEU A 52 -0.588 3.258 0.087 1.00 0.00 C ATOM 806 CG LEU A 52 0.072 3.677 -1.230 1.00 0.00 C ATOM 807 CD1 LEU A 52 0.524 2.448 -2.021 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.908 4.504 -2.057 1.00 0.00 C ATOM 0 H LEU A 52 -0.577 3.734 2.521 1.00 0.00 H new ATOM 0 HA LEU A 52 0.368 1.508 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.410 2.574 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.019 4.135 0.569 1.00 0.00 H new ATOM 0 HG LEU A 52 0.951 4.281 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.990 2.767 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.243 1.880 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.339 1.821 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.435 4.800 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.796 3.909 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.195 5.395 -1.498 1.00 0.00 H new ATOM 820 N CYS A 53 2.657 2.106 0.403 1.00 0.00 N ATOM 821 CA CYS A 53 4.043 2.454 0.136 1.00 0.00 C ATOM 822 C CYS A 53 4.428 2.027 -1.278 1.00 0.00 C ATOM 823 O CYS A 53 3.927 1.051 -1.820 1.00 0.00 O ATOM 824 CB CYS A 53 4.944 1.767 1.159 1.00 0.00 C ATOM 825 SG CYS A 53 4.536 2.211 2.866 1.00 0.00 S ATOM 0 H CYS A 53 2.412 1.123 0.283 1.00 0.00 H new ATOM 0 HA CYS A 53 4.167 3.534 0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.862 0.687 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.982 2.032 0.958 1.00 0.00 H new ATOM 0 HG CYS A 53 5.631 2.345 3.553 1.00 0.00 H new ATOM 831 N LEU A 54 5.346 2.836 -1.833 1.00 0.00 N ATOM 832 CA LEU A 54 5.825 2.539 -3.174 1.00 0.00 C ATOM 833 C LEU A 54 7.161 3.246 -3.394 1.00 0.00 C ATOM 834 O LEU A 54 7.581 4.074 -2.598 1.00 0.00 O ATOM 835 CB LEU A 54 4.776 2.938 -4.213 1.00 0.00 C ATOM 836 CG LEU A 54 4.282 4.383 -4.071 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.476 4.562 -2.787 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.451 5.370 -4.117 1.00 0.00 C ATOM 0 H LEU A 54 5.750 3.662 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 54 5.987 1.467 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.196 2.804 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.924 2.263 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 54 3.626 4.595 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.138 5.595 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.612 3.898 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.102 4.321 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.073 6.387 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.141 5.155 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.973 5.272 -5.069 1.00 0.00 H new ATOM 850 N LEU A 55 7.818 2.856 -4.505 1.00 0.00 N ATOM 851 CA LEU A 55 9.115 3.465 -4.759 1.00 0.00 C ATOM 852 C LEU A 55 9.093 4.290 -6.042 1.00 0.00 C ATOM 853 O LEU A 55 8.525 3.903 -7.056 1.00 0.00 O ATOM 854 CB LEU A 55 10.167 2.370 -4.847 1.00 0.00 C ATOM 855 CG LEU A 55 11.577 2.951 -4.973 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.296 2.965 -3.630 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.390 2.142 -5.972 1.00 0.00 C ATOM 0 H LEU A 55 7.494 2.172 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 55 9.357 4.141 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.111 1.739 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.958 1.732 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 55 11.480 3.979 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.294 3.384 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.734 3.574 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.375 1.947 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.391 2.565 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.459 1.108 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.903 2.172 -6.947 1.00 0.00 H new ATOM 869 N HIS A 56 9.756 5.457 -5.915 1.00 0.00 N ATOM 870 CA HIS A 56 9.826 6.346 -7.059 1.00 0.00 C ATOM 871 C HIS A 56 11.265 6.430 -7.599 1.00 0.00 C ATOM 872 O HIS A 56 12.069 7.248 -7.170 1.00 0.00 O ATOM 873 CB HIS A 56 9.335 7.730 -6.643 1.00 0.00 C ATOM 874 CG HIS A 56 9.379 8.658 -7.833 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.854 9.922 -7.785 1.00 0.00 N ATOM 876 CD2 HIS A 56 8.959 8.398 -9.151 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.732 10.422 -9.026 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.194 9.522 -9.869 1.00 0.00 N ATOM 0 H HIS A 56 10.225 5.783 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 56 9.193 5.955 -7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.318 7.666 -6.256 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.958 8.122 -5.839 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.531 7.478 -9.520 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.028 11.421 -9.311 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.000 9.660 -10.861 1.00 0.00 H new ATOM 886 N GLU A 57 11.520 5.527 -8.568 1.00 0.00 N ATOM 887 CA GLU A 57 12.831 5.515 -9.217 1.00 0.00 C ATOM 888 C GLU A 57 14.000 5.289 -8.244 1.00 0.00 C ATOM 889 O GLU A 57 15.158 5.308 -8.642 1.00 0.00 O ATOM 890 CB GLU A 57 13.012 6.849 -9.916 1.00 0.00 C ATOM 891 CG GLU A 57 11.872 7.123 -10.893 1.00 0.00 C ATOM 892 CD GLU A 57 12.316 8.151 -11.936 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.566 9.296 -11.562 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.409 7.794 -13.110 1.00 0.00 O ATOM 0 H GLU A 57 10.860 4.826 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 57 12.850 4.677 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.058 7.647 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.962 6.856 -10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.573 6.198 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.000 7.493 -10.354 1.00 0.00 H new ATOM 901 N GLY A 58 13.653 5.078 -6.966 1.00 0.00 N ATOM 902 CA GLY A 58 14.726 4.867 -6.001 1.00 0.00 C ATOM 903 C GLY A 58 14.485 5.607 -4.674 1.00 0.00 C ATOM 904 O GLY A 58 15.295 5.561 -3.756 1.00 0.00 O ATOM 0 H GLY A 58 12.702 5.050 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.827 3.800 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.669 5.202 -6.433 1.00 0.00 H new ATOM 908 N LYS A 59 13.327 6.285 -4.643 1.00 0.00 N ATOM 909 CA LYS A 59 12.968 7.011 -3.459 1.00 0.00 C ATOM 910 C LYS A 59 11.724 6.352 -2.909 1.00 0.00 C ATOM 911 O LYS A 59 10.596 6.656 -3.279 1.00 0.00 O ATOM 912 CB LYS A 59 12.708 8.468 -3.792 1.00 0.00 C ATOM 913 CG LYS A 59 13.887 9.096 -4.535 1.00 0.00 C ATOM 914 CD LYS A 59 13.416 10.081 -5.602 1.00 0.00 C ATOM 915 CE LYS A 59 14.594 10.799 -6.262 1.00 0.00 C ATOM 916 NZ LYS A 59 15.470 9.882 -6.981 1.00 0.00 N ATOM 0 H LYS A 59 12.655 6.334 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 59 13.772 6.991 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.809 8.547 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.519 9.023 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.534 9.610 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.484 8.312 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.841 9.550 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.748 10.815 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.216 11.553 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.169 11.325 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.194 10.424 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.932 9.241 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.910 9.325 -7.658 1.00 0.00 H new ATOM 930 N VAL A 60 12.023 5.434 -2.003 1.00 0.00 N ATOM 931 CA VAL A 60 10.945 4.681 -1.401 1.00 0.00 C ATOM 932 C VAL A 60 10.076 5.615 -0.585 1.00 0.00 C ATOM 933 O VAL A 60 10.537 6.534 0.081 1.00 0.00 O ATOM 934 CB VAL A 60 11.503 3.585 -0.505 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.805 4.148 0.878 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.501 2.439 -0.384 1.00 0.00 C ATOM 0 H VAL A 60 12.963 5.202 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 60 10.349 4.219 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 60 12.423 3.206 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.204 3.357 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.539 4.950 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.889 4.540 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.913 1.662 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.572 2.812 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.302 2.024 -1.372 1.00 0.00 H new ATOM 946 N LEU A 61 8.793 5.282 -0.674 1.00 0.00 N ATOM 947 CA LEU A 61 7.819 6.085 0.020 1.00 0.00 C ATOM 948 C LEU A 61 6.889 5.240 0.847 1.00 0.00 C ATOM 949 O LEU A 61 6.842 4.018 0.773 1.00 0.00 O ATOM 950 CB LEU A 61 7.012 6.877 -0.994 1.00 0.00 C ATOM 951 CG LEU A 61 7.939 7.479 -2.030 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.171 8.308 -3.054 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.972 8.323 -1.308 1.00 0.00 C ATOM 0 H LEU A 61 8.422 4.491 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 61 8.351 6.757 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.283 6.228 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.453 7.666 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 61 8.432 6.681 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.868 8.724 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.447 7.674 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.648 9.119 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.652 8.767 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.470 9.114 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.538 7.695 -0.619 1.00 0.00 H new ATOM 965 N HIS A 62 6.147 6.018 1.630 1.00 0.00 N ATOM 966 CA HIS A 62 5.168 5.406 2.514 1.00 0.00 C ATOM 967 C HIS A 62 4.051 6.415 2.769 1.00 0.00 C ATOM 968 O HIS A 62 4.289 7.556 3.103 1.00 0.00 O ATOM 969 CB HIS A 62 5.823 5.007 3.846 1.00 0.00 C ATOM 970 CG HIS A 62 7.110 4.239 3.614 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.220 2.895 3.709 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.381 4.760 3.310 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.512 2.602 3.474 1.00 0.00 C ATOM 974 NE2 HIS A 62 9.232 3.711 3.230 1.00 0.00 N ATOM 0 H HIS A 62 6.202 7.036 1.670 1.00 0.00 H new ATOM 0 HA HIS A 62 4.766 4.506 2.048 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.030 5.901 4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.131 4.396 4.426 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.630 5.801 3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.919 1.602 3.481 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.230 3.753 3.024 1.00 0.00 H new ATOM 982 N TYR A 63 2.822 5.930 2.575 1.00 0.00 N ATOM 983 CA TYR A 63 1.697 6.802 2.809 1.00 0.00 C ATOM 984 C TYR A 63 0.792 6.140 3.834 1.00 0.00 C ATOM 985 O TYR A 63 0.654 4.928 3.867 1.00 0.00 O ATOM 986 CB TYR A 63 0.921 6.999 1.511 1.00 0.00 C ATOM 987 CG TYR A 63 1.715 7.736 0.475 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.930 9.135 0.573 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.259 7.032 -0.624 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.681 9.803 -0.415 1.00 0.00 C ATOM 991 CE2 TYR A 63 3.009 7.704 -1.608 1.00 0.00 C ATOM 992 CZ TYR A 63 3.221 9.091 -1.505 1.00 0.00 C ATOM 993 OH TYR A 63 3.954 9.753 -2.468 1.00 0.00 O ATOM 0 H TYR A 63 2.598 4.983 2.271 1.00 0.00 H new ATOM 0 HA TYR A 63 2.042 7.771 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.627 6.027 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.003 7.549 1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.518 9.688 1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.097 5.968 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.844 10.868 -0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.421 7.155 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 63 4.448 9.102 -3.008 1.00 0.00 H new ATOM 1003 N ARG A 64 0.189 6.997 4.668 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.711 6.438 5.655 1.00 0.00 C ATOM 1005 C ARG A 64 -2.024 6.087 4.959 1.00 0.00 C ATOM 1006 O ARG A 64 -2.195 6.284 3.762 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.961 7.437 6.780 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.068 7.161 7.989 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.322 8.163 9.116 1.00 0.00 C ATOM 1010 NE ARG A 64 -0.025 9.511 8.668 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.374 10.546 9.457 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -0.979 10.324 10.621 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -0.112 11.792 9.072 1.00 0.00 N ATOM 0 H ARG A 64 0.302 8.011 4.677 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.268 5.545 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.779 8.448 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.007 7.391 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.249 6.150 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.978 7.209 7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.361 8.101 9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.296 7.915 9.979 1.00 0.00 H new ATOM 0 HE ARG A 64 0.439 9.672 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.179 9.369 10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.242 11.109 11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.353 11.963 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.376 12.576 9.668 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.931 5.563 5.790 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.233 5.193 5.257 1.00 0.00 C ATOM 1029 C ILE A 65 -5.261 5.238 6.388 1.00 0.00 C ATOM 1030 O ILE A 65 -5.090 4.640 7.443 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.159 3.797 4.620 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -4.154 3.907 3.094 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.333 2.920 5.069 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.748 4.155 2.549 1.00 0.00 C ATOM 0 H ILE A 65 -2.794 5.394 6.786 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.537 5.895 4.480 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.232 3.330 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.555 2.990 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.812 4.719 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.253 1.938 4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.310 2.809 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.271 3.388 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.787 4.227 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.357 5.085 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.096 3.330 2.835 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.336 5.987 6.090 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.387 6.106 7.079 1.00 0.00 C ATOM 1048 C ASP A 66 -8.636 5.394 6.574 1.00 0.00 C ATOM 1049 O ASP A 66 -8.547 4.357 5.946 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.655 7.585 7.367 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.396 7.730 8.698 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.141 6.935 9.601 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.220 8.636 8.815 1.00 0.00 O ATOM 0 H ASP A 66 -6.486 6.490 5.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.083 5.634 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.714 8.134 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.247 8.020 6.562 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.778 5.995 6.974 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.068 5.494 6.577 1.00 0.00 C ATOM 1060 C LYS A 67 -12.085 6.642 6.623 1.00 0.00 C ATOM 1061 O LYS A 67 -11.785 7.781 6.288 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.448 4.394 7.548 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.655 4.949 8.952 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.270 3.929 10.025 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.483 3.495 10.848 1.00 0.00 C ATOM 1066 NZ LYS A 67 -12.192 3.433 12.276 1.00 0.00 N ATOM 0 H LYS A 67 -9.810 6.823 7.569 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.049 5.097 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.361 3.905 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.667 3.634 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.059 5.853 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.699 5.236 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.818 3.056 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.517 4.360 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.303 4.192 10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.820 2.517 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.045 3.134 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.428 2.748 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.896 4.372 12.611 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.296 6.265 7.064 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.349 7.268 7.153 1.00 0.00 C ATOM 1082 C ASP A 68 -15.319 6.889 8.270 1.00 0.00 C ATOM 1083 O ASP A 68 -16.533 6.989 8.135 1.00 0.00 O ATOM 1084 CB ASP A 68 -15.080 7.342 5.817 1.00 0.00 C ATOM 1085 CG ASP A 68 -15.400 8.799 5.479 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -16.421 9.300 5.948 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -14.626 9.416 4.749 1.00 0.00 O ATOM 0 H ASP A 68 -13.555 5.321 7.350 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.919 8.244 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.465 6.904 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.000 6.760 5.863 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.697 6.445 9.378 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.499 6.016 10.518 1.00 0.00 C ATOM 1094 C LYS A 69 -16.732 5.244 10.043 1.00 0.00 C ATOM 1095 O LYS A 69 -17.804 5.290 10.634 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.891 7.228 11.359 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.658 8.002 11.822 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.496 7.060 12.142 1.00 0.00 C ATOM 1099 CE LYS A 69 -12.282 7.823 12.676 1.00 0.00 C ATOM 1100 NZ LYS A 69 -12.586 8.568 13.891 1.00 0.00 N ATOM 0 H LYS A 69 -13.686 6.378 9.499 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.909 5.344 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.538 7.884 10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.465 6.902 12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.355 8.705 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.906 8.590 12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.816 6.324 12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.215 6.510 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.474 7.120 12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.923 8.511 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.700 8.855 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.141 9.414 13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.135 7.967 14.539 1.00 0.00 H new ATOM 1114 N THR A 70 -16.483 4.537 8.934 1.00 0.00 N ATOM 1115 CA THR A 70 -17.503 3.720 8.344 1.00 0.00 C ATOM 1116 C THR A 70 -17.012 2.269 8.316 1.00 0.00 C ATOM 1117 O THR A 70 -17.781 1.320 8.407 1.00 0.00 O ATOM 1118 CB THR A 70 -17.717 4.222 6.927 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.708 5.219 6.920 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.104 3.096 5.986 1.00 0.00 C ATOM 0 H THR A 70 -15.588 4.526 8.445 1.00 0.00 H new ATOM 0 HA THR A 70 -18.434 3.769 8.908 1.00 0.00 H new ATOM 0 HB THR A 70 -16.775 4.640 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.340 6.049 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.249 3.494 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.312 2.348 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.030 2.636 6.331 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.671 2.177 8.182 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.067 0.868 8.121 1.00 0.00 C ATOM 1130 C GLY A 71 -14.085 0.728 6.947 1.00 0.00 C ATOM 1131 O GLY A 71 -13.212 -0.132 6.939 1.00 0.00 O ATOM 0 H GLY A 71 -15.028 2.966 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.542 0.670 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.849 0.114 8.028 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.290 1.625 5.968 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.430 1.587 4.795 1.00 0.00 C ATOM 1137 C LYS A 72 -12.080 2.204 5.143 1.00 0.00 C ATOM 1138 O LYS A 72 -11.640 2.192 6.283 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.090 2.357 3.651 1.00 0.00 C ATOM 1140 CG LYS A 72 -15.564 1.983 3.498 1.00 0.00 C ATOM 1141 CD LYS A 72 -15.754 0.470 3.387 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.236 0.093 3.348 1.00 0.00 C ATOM 1143 NZ LYS A 72 -17.941 0.477 4.566 1.00 0.00 N ATOM 0 H LYS A 72 -15.009 2.348 5.969 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.278 0.555 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.003 3.428 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.563 2.149 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.126 2.359 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.972 2.467 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.261 0.105 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.275 -0.021 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.708 0.574 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.330 -0.983 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.522 -0.320 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.251 0.731 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.554 1.294 4.369 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.435 2.701 4.073 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.167 3.338 4.267 1.00 0.00 C ATOM 1159 C LEU A 73 -10.115 4.604 3.409 1.00 0.00 C ATOM 1160 O LEU A 73 -10.902 4.782 2.488 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.083 2.369 3.836 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.278 0.984 4.449 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.426 -0.043 3.712 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -8.926 1.008 5.934 1.00 0.00 C ATOM 0 H LEU A 73 -11.772 2.667 3.111 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.021 3.611 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.081 2.287 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.109 2.761 4.128 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.325 0.700 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.574 -1.026 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.719 -0.073 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.375 0.235 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.070 0.014 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.885 1.308 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.571 1.719 6.449 1.00 0.00 H new ATOM 1176 N SER A 74 -9.145 5.473 3.764 1.00 0.00 N ATOM 1177 CA SER A 74 -9.024 6.695 2.989 1.00 0.00 C ATOM 1178 C SER A 74 -7.775 7.464 3.410 1.00 0.00 C ATOM 1179 O SER A 74 -7.527 7.710 4.582 1.00 0.00 O ATOM 1180 CB SER A 74 -10.269 7.552 3.193 1.00 0.00 C ATOM 1181 OG SER A 74 -10.329 8.031 4.512 1.00 0.00 O ATOM 0 H SER A 74 -8.483 5.354 4.530 1.00 0.00 H new ATOM 0 HA SER A 74 -8.933 6.444 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.258 8.390 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.161 6.966 2.972 1.00 0.00 H new ATOM 0 HG SER A 74 -11.262 8.051 4.811 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.016 7.827 2.365 1.00 0.00 N ATOM 1188 CA ILE A 75 -5.798 8.576 2.609 1.00 0.00 C ATOM 1189 C ILE A 75 -6.143 10.067 2.673 1.00 0.00 C ATOM 1190 O ILE A 75 -6.971 10.566 1.921 1.00 0.00 O ATOM 1191 CB ILE A 75 -4.817 8.299 1.472 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -4.464 6.815 1.426 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -3.546 9.139 1.621 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -3.442 6.520 0.327 1.00 0.00 C ATOM 0 H ILE A 75 -7.220 7.620 1.387 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.340 8.277 3.552 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.300 8.578 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.063 6.504 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.367 6.230 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.867 8.920 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.806 10.198 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.059 8.898 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.212 5.455 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.854 6.808 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.530 7.087 0.516 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.464 10.755 3.621 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.655 12.178 3.825 1.00 0.00 C ATOM 1208 C PRO A 76 -5.486 12.955 2.518 1.00 0.00 C ATOM 1209 O PRO A 76 -6.440 13.457 1.936 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.595 12.595 4.852 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.870 11.313 5.297 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.468 10.156 4.490 1.00 0.00 C ATOM 0 HA PRO A 76 -6.664 12.396 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.892 13.303 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.058 13.092 5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.798 11.394 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.003 11.146 6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.699 9.645 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.919 9.412 5.147 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.212 13.015 2.104 1.00 0.00 N ATOM 1221 CA GLU A 77 -3.917 13.708 0.861 1.00 0.00 C ATOM 1222 C GLU A 77 -4.313 12.820 -0.326 1.00 0.00 C ATOM 1223 O GLU A 77 -4.800 13.288 -1.348 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.430 14.045 0.804 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.054 15.103 1.841 1.00 0.00 C ATOM 1226 CD GLU A 77 -0.547 15.362 1.796 1.00 0.00 C ATOM 1227 OE1 GLU A 77 0.197 14.442 1.463 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.135 16.482 2.092 1.00 0.00 O ATOM 0 H GLU A 77 -3.411 12.611 2.590 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.488 14.635 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.845 13.142 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.176 14.405 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.597 16.027 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.345 14.769 2.837 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.069 11.510 -0.115 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.398 10.560 -1.159 1.00 0.00 C ATOM 1237 C GLY A 78 -5.836 10.756 -1.649 1.00 0.00 C ATOM 1238 O GLY A 78 -6.152 11.698 -2.365 1.00 0.00 O ATOM 0 H GLY A 78 -3.664 11.114 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.707 10.678 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.274 9.544 -0.783 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.680 9.799 -1.212 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.072 9.867 -1.608 1.00 0.00 C ATOM 1244 C LYS A 79 -8.961 9.211 -0.547 1.00 0.00 C ATOM 1245 O LYS A 79 -8.748 9.323 0.654 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.230 9.143 -2.940 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.513 9.548 -3.659 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.211 10.460 -4.845 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.489 10.890 -5.566 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.318 11.768 -4.750 1.00 0.00 N ATOM 0 H LYS A 79 -6.426 9.012 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.375 10.909 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.373 9.362 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.234 8.066 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.037 8.657 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.178 10.059 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.674 11.343 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.555 9.942 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.226 11.401 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.063 10.005 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.091 12.153 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.717 11.229 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.739 12.549 -4.382 1.00 0.00 H new ATOM 1264 N LYS A 80 -9.966 8.523 -1.107 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.925 7.816 -0.269 1.00 0.00 C ATOM 1266 C LYS A 80 -11.357 6.550 -1.009 1.00 0.00 C ATOM 1267 O LYS A 80 -11.664 6.580 -2.195 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.130 8.713 0.008 1.00 0.00 C ATOM 1269 CG LYS A 80 -11.713 10.044 0.634 1.00 0.00 C ATOM 1270 CD LYS A 80 -12.908 10.983 0.811 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.974 10.375 1.724 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.819 9.411 1.027 1.00 0.00 N ATOM 0 H LYS A 80 -10.128 8.445 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.475 7.550 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.665 8.901 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.821 8.198 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.247 9.861 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.963 10.523 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.568 11.930 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.345 11.203 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.489 9.885 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.596 11.171 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.818 9.613 1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.655 9.482 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.587 8.450 1.349 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.363 5.440 -0.247 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.728 4.197 -0.876 1.00 0.00 C ATOM 1288 C PHE A 81 -12.568 3.331 0.057 1.00 0.00 C ATOM 1289 O PHE A 81 -12.785 3.641 1.223 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.447 3.479 -1.244 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.786 4.138 -2.416 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.275 3.918 -3.723 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.671 4.992 -2.226 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.660 4.541 -4.830 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.054 5.617 -3.334 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.549 5.391 -4.637 1.00 0.00 C ATOM 0 H PHE A 81 -11.131 5.393 0.745 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.332 4.394 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.768 3.477 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.664 2.437 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.125 3.269 -3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.291 5.166 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.040 4.367 -5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.205 6.267 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.079 5.867 -5.485 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.014 2.216 -0.552 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.826 1.277 0.198 1.00 0.00 C ATOM 1308 C ASP A 82 -12.911 0.324 0.963 1.00 0.00 C ATOM 1309 O ASP A 82 -13.034 0.136 2.167 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.726 0.505 -0.763 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.640 -0.438 0.022 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -16.565 0.048 0.670 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.416 -1.646 -0.025 1.00 0.00 O ATOM 0 H ASP A 82 -12.829 1.961 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.455 1.810 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.325 1.200 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.118 -0.065 -1.465 1.00 0.00 H new ATOM 1318 N THR A 83 -11.987 -0.264 0.180 1.00 0.00 N ATOM 1319 CA THR A 83 -11.049 -1.176 0.784 1.00 0.00 C ATOM 1320 C THR A 83 -9.718 -1.021 0.068 1.00 0.00 C ATOM 1321 O THR A 83 -9.605 -0.343 -0.946 1.00 0.00 O ATOM 1322 CB THR A 83 -11.566 -2.608 0.664 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.841 -2.895 -0.685 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.826 -2.826 1.501 1.00 0.00 C ATOM 0 H THR A 83 -11.885 -0.122 -0.825 1.00 0.00 H new ATOM 0 HA THR A 83 -10.925 -0.954 1.844 1.00 0.00 H new ATOM 0 HB THR A 83 -10.793 -3.278 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.171 -3.814 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.163 -3.857 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.605 -2.628 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.610 -2.149 1.162 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.725 -1.689 0.659 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.415 -1.636 0.093 1.00 0.00 C ATOM 1334 C LEU A 84 -7.370 -2.218 -1.319 1.00 0.00 C ATOM 1335 O LEU A 84 -6.353 -2.186 -1.993 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.543 -2.454 1.015 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.684 -1.586 1.922 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.828 -2.465 2.830 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.811 -0.655 1.092 1.00 0.00 C ATOM 0 H LEU A 84 -8.817 -2.252 1.504 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.081 -0.602 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.172 -3.102 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.899 -3.103 0.421 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.335 -0.974 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.217 -1.835 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.474 -3.093 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.181 -3.096 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.202 -0.040 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.161 -1.245 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.444 -0.012 0.480 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.529 -2.737 -1.709 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.631 -3.319 -3.034 1.00 0.00 C ATOM 1353 C TRP A 85 -8.962 -2.236 -4.037 1.00 0.00 C ATOM 1354 O TRP A 85 -8.581 -2.280 -5.199 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.756 -4.341 -3.027 1.00 0.00 C ATOM 1356 CG TRP A 85 -9.234 -5.684 -3.474 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.392 -5.901 -4.562 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -9.506 -6.955 -2.884 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -8.131 -7.238 -4.671 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.798 -7.928 -3.654 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -10.271 -7.341 -1.791 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.869 -9.274 -3.322 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -10.349 -8.713 -1.442 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -9.647 -9.680 -2.208 1.00 0.00 C ATOM 0 H TRP A 85 -9.380 -2.766 -1.148 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.687 -3.791 -3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -10.180 -4.421 -2.026 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.559 -4.015 -3.688 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.006 -5.133 -5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.541 -7.666 -5.384 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.803 -6.601 -1.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -8.335 -10.007 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.942 -9.022 -0.594 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.705 -10.725 -1.942 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.694 -1.263 -3.496 1.00 0.00 N ATOM 1376 CA GLN A 86 -10.107 -0.173 -4.347 1.00 0.00 C ATOM 1377 C GLN A 86 -9.037 0.890 -4.364 1.00 0.00 C ATOM 1378 O GLN A 86 -8.693 1.435 -5.394 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.441 0.391 -3.865 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.558 -0.648 -3.960 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.784 -1.035 -5.423 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -13.338 -0.280 -6.214 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.318 -2.260 -5.721 1.00 0.00 N ATOM 0 H GLN A 86 -9.996 -1.213 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.245 -0.536 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.343 0.727 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.704 1.265 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.296 -1.531 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.478 -0.246 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.868 -2.824 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.414 -2.626 -6.668 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.520 1.142 -3.170 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.485 2.143 -3.111 1.00 0.00 C ATOM 1394 C LEU A 87 -6.246 1.662 -3.861 1.00 0.00 C ATOM 1395 O LEU A 87 -5.481 2.453 -4.390 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.160 2.445 -1.652 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.031 3.461 -1.522 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.992 4.035 -0.107 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.692 2.808 -1.866 1.00 0.00 C ATOM 0 H LEU A 87 -8.781 0.699 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.831 3.059 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.051 2.826 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.879 1.523 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.214 4.276 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.181 4.759 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.939 4.527 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.828 3.229 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.893 3.543 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.506 1.978 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.721 2.436 -2.890 1.00 0.00 H new ATOM 1411 N VAL A 88 -6.103 0.325 -3.894 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.969 -0.218 -4.567 1.00 0.00 C ATOM 1413 C VAL A 88 -5.233 -0.315 -6.050 1.00 0.00 C ATOM 1414 O VAL A 88 -4.403 0.042 -6.862 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.693 -1.603 -4.041 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.819 -2.334 -5.037 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -4.028 -1.536 -2.671 1.00 0.00 C ATOM 0 H VAL A 88 -6.741 -0.352 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.115 0.436 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.631 -2.145 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.611 -3.339 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.334 -2.398 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.882 -1.793 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.837 -2.546 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.085 -0.995 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.685 -1.019 -1.972 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.420 -0.861 -6.352 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.723 -1.031 -7.756 1.00 0.00 C ATOM 1429 C GLU A 89 -6.822 0.311 -8.438 1.00 0.00 C ATOM 1430 O GLU A 89 -6.324 0.519 -9.538 1.00 0.00 O ATOM 1431 CB GLU A 89 -8.009 -1.796 -7.913 1.00 0.00 C ATOM 1432 CG GLU A 89 -9.201 -1.037 -7.369 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.984 -0.393 -8.515 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.672 -1.116 -9.235 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.898 0.823 -8.674 1.00 0.00 O ATOM 0 H GLU A 89 -7.131 -1.169 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.918 -1.596 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.172 -2.015 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.925 -2.753 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.849 -1.713 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.865 -0.270 -6.672 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.495 1.207 -7.718 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.654 2.523 -8.299 1.00 0.00 C ATOM 1444 C HIS A 90 -6.297 3.097 -8.590 1.00 0.00 C ATOM 1445 O HIS A 90 -5.974 3.496 -9.695 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.402 3.441 -7.352 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.134 4.492 -8.153 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -10.032 4.212 -9.122 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.028 5.891 -8.045 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.463 5.394 -9.594 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.871 6.422 -8.960 1.00 0.00 N ATOM 0 H HIS A 90 -7.909 1.058 -6.798 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.230 2.436 -9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.108 2.867 -6.752 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.706 3.914 -6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.394 6.437 -7.362 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.192 5.505 -10.383 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.028 7.414 -9.136 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.541 3.120 -7.510 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.201 3.642 -7.625 1.00 0.00 C ATOM 1461 C TYR A 91 -3.400 2.797 -8.618 1.00 0.00 C ATOM 1462 O TYR A 91 -2.435 3.257 -9.213 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.539 3.673 -6.265 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.889 4.944 -5.534 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.162 5.547 -5.717 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.967 5.546 -4.642 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.508 6.723 -5.018 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.318 6.727 -3.944 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.586 7.312 -4.131 1.00 0.00 C ATOM 1470 OH TYR A 91 -4.923 8.462 -3.448 1.00 0.00 O ATOM 0 H TYR A 91 -5.818 2.798 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.238 4.664 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.858 2.811 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.458 3.599 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.872 5.101 -6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.993 5.103 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.480 7.171 -5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.611 7.181 -3.266 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.039 8.256 -2.497 1.00 0.00 H new ATOM 1480 N SER A 92 -3.851 1.532 -8.765 1.00 0.00 N ATOM 1481 CA SER A 92 -3.172 0.690 -9.733 1.00 0.00 C ATOM 1482 C SER A 92 -3.293 1.324 -11.123 1.00 0.00 C ATOM 1483 O SER A 92 -2.602 0.967 -12.069 1.00 0.00 O ATOM 1484 CB SER A 92 -3.838 -0.662 -9.731 1.00 0.00 C ATOM 1485 OG SER A 92 -2.888 -1.697 -9.766 1.00 0.00 O ATOM 0 H SER A 92 -4.628 1.107 -8.259 1.00 0.00 H new ATOM 0 HA SER A 92 -2.117 0.587 -9.478 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.458 -0.764 -8.840 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.502 -0.745 -10.592 1.00 0.00 H new ATOM 0 HG SER A 92 -3.347 -2.563 -9.762 1.00 0.00 H new ATOM 1491 N TYR A 93 -4.227 2.289 -11.157 1.00 0.00 N ATOM 1492 CA TYR A 93 -4.488 2.990 -12.389 1.00 0.00 C ATOM 1493 C TYR A 93 -3.569 4.186 -12.469 1.00 0.00 C ATOM 1494 O TYR A 93 -2.798 4.364 -13.401 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.928 3.489 -12.383 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.918 2.387 -12.127 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -6.550 1.028 -12.292 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -8.233 2.703 -11.712 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -7.488 -0.001 -12.047 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -9.171 1.674 -11.467 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.798 0.322 -11.635 1.00 0.00 C ATOM 1502 OH TYR A 93 -9.715 -0.682 -11.398 1.00 0.00 O ATOM 0 H TYR A 93 -4.791 2.584 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.325 2.324 -13.237 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.039 4.258 -11.619 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.151 3.958 -13.342 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.548 0.777 -12.607 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.522 3.735 -11.582 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.202 -1.034 -12.175 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.174 1.922 -11.151 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.422 -0.347 -10.807 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.775 5.008 -11.435 1.00 0.00 N ATOM 1513 CA LYS A 94 -3.014 6.210 -11.304 1.00 0.00 C ATOM 1514 C LYS A 94 -2.433 6.345 -9.916 1.00 0.00 C ATOM 1515 O LYS A 94 -2.612 5.526 -9.027 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.960 7.359 -11.499 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.215 7.185 -10.630 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.254 8.269 -10.912 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.219 7.840 -12.017 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.232 8.852 -12.295 1.00 0.00 N ATOM 0 H LYS A 94 -4.459 4.848 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.202 6.196 -12.031 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.462 8.294 -11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.245 7.427 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.653 6.204 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.935 7.215 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.813 8.485 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.751 9.191 -11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.656 7.634 -12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.708 6.910 -11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.862 8.514 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.789 9.031 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.769 9.733 -12.598 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.735 7.467 -9.821 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.132 7.820 -8.554 1.00 0.00 C ATOM 1536 C ALA A 95 -2.216 8.427 -7.658 1.00 0.00 C ATOM 1537 O ALA A 95 -2.322 8.129 -6.478 1.00 0.00 O ATOM 1538 CB ALA A 95 0.000 8.819 -8.784 1.00 0.00 C ATOM 0 H ALA A 95 -1.577 8.127 -10.582 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.713 6.937 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.452 9.083 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.754 8.371 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.398 9.717 -9.257 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.026 9.286 -8.312 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.108 9.932 -7.572 1.00 0.00 C ATOM 1546 C ASP A 96 -3.570 10.980 -6.598 1.00 0.00 C ATOM 1547 O ASP A 96 -4.306 11.764 -6.010 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.894 8.881 -6.821 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.318 8.796 -7.372 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.050 9.778 -7.264 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.677 7.748 -7.903 1.00 0.00 O ATOM 0 H ASP A 96 -2.953 9.534 -9.299 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.757 10.444 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.402 7.913 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.921 9.125 -5.759 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.251 10.927 -6.480 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.581 11.852 -5.588 1.00 0.00 C ATOM 1558 C GLY A 97 -0.186 11.351 -5.182 1.00 0.00 C ATOM 1559 O GLY A 97 0.676 12.119 -4.773 1.00 0.00 O ATOM 0 H GLY A 97 -1.643 10.274 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.490 12.823 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.188 11.998 -4.695 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.026 10.018 -5.317 1.00 0.00 N ATOM 1564 CA LEU A 98 1.247 9.434 -4.959 1.00 0.00 C ATOM 1565 C LEU A 98 2.355 10.180 -5.689 1.00 0.00 C ATOM 1566 O LEU A 98 2.143 11.211 -6.315 1.00 0.00 O ATOM 1567 CB LEU A 98 1.269 7.976 -5.402 1.00 0.00 C ATOM 1568 CG LEU A 98 0.070 7.206 -4.877 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.067 5.878 -5.608 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.211 6.991 -3.373 1.00 0.00 C ATOM 0 H LEU A 98 -0.735 9.367 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 98 1.393 9.500 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.283 7.928 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.186 7.504 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.835 7.785 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.931 5.337 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.202 6.062 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.833 5.283 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.652 6.438 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.120 6.424 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.266 7.957 -2.871 1.00 0.00 H new ATOM 1582 N LEU A 99 3.548 9.579 -5.572 1.00 0.00 N ATOM 1583 CA LEU A 99 4.677 10.150 -6.278 1.00 0.00 C ATOM 1584 C LEU A 99 4.520 9.783 -7.756 1.00 0.00 C ATOM 1585 O LEU A 99 4.695 10.595 -8.657 1.00 0.00 O ATOM 1586 CB LEU A 99 5.974 9.583 -5.710 1.00 0.00 C ATOM 1587 CG LEU A 99 7.099 10.616 -5.724 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.315 11.153 -7.137 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.779 11.762 -4.763 1.00 0.00 C ATOM 0 H LEU A 99 3.741 8.742 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 99 4.711 11.234 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.805 9.243 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.274 8.711 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 99 8.018 10.131 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.120 11.888 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.581 10.331 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.398 11.624 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.589 12.491 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.850 12.244 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.669 11.369 -3.752 1.00 0.00 H new ATOM 1601 N ARG A 100 4.171 8.491 -7.920 1.00 0.00 N ATOM 1602 CA ARG A 100 3.942 7.969 -9.247 1.00 0.00 C ATOM 1603 C ARG A 100 2.947 6.813 -9.138 1.00 0.00 C ATOM 1604 O ARG A 100 2.835 6.155 -8.111 1.00 0.00 O ATOM 1605 CB ARG A 100 5.256 7.481 -9.833 1.00 0.00 C ATOM 1606 CG ARG A 100 5.183 7.349 -11.355 1.00 0.00 C ATOM 1607 CD ARG A 100 5.215 8.715 -12.041 1.00 0.00 C ATOM 1608 NE ARG A 100 6.349 8.800 -12.944 1.00 0.00 N ATOM 1609 CZ ARG A 100 6.794 10.017 -13.311 1.00 0.00 C ATOM 1610 NH1 ARG A 100 6.196 11.112 -12.849 1.00 0.00 N ATOM 1611 NH2 ARG A 100 7.832 10.124 -14.136 1.00 0.00 N ATOM 0 H ARG A 100 4.049 7.820 -7.162 1.00 0.00 H new ATOM 0 HA ARG A 100 3.539 8.743 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.053 8.175 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.513 6.516 -9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.018 6.744 -11.709 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.269 6.824 -11.632 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.289 8.874 -12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.278 9.504 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 100 6.800 7.954 -13.294 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.400 11.030 -12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.534 12.033 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.290 9.285 -14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.169 11.045 -14.414 1.00 0.00 H new ATOM 1625 N VAL A 101 2.240 6.615 -10.258 1.00 0.00 N ATOM 1626 CA VAL A 101 1.267 5.555 -10.294 1.00 0.00 C ATOM 1627 C VAL A 101 1.879 4.263 -9.754 1.00 0.00 C ATOM 1628 O VAL A 101 3.065 4.173 -9.460 1.00 0.00 O ATOM 1629 CB VAL A 101 0.876 5.327 -11.739 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.430 4.581 -11.812 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.778 6.650 -12.505 1.00 0.00 C ATOM 0 H VAL A 101 2.329 7.162 -11.115 1.00 0.00 H new ATOM 0 HA VAL A 101 0.404 5.829 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 101 1.655 4.727 -12.209 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.701 4.423 -12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.327 3.617 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.209 5.162 -11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.496 6.452 -13.539 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.025 7.286 -12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.743 7.155 -12.483 1.00 0.00 H new ATOM 1641 N LEU A 102 0.976 3.279 -9.657 1.00 0.00 N ATOM 1642 CA LEU A 102 1.393 1.959 -9.232 1.00 0.00 C ATOM 1643 C LEU A 102 1.442 1.097 -10.471 1.00 0.00 C ATOM 1644 O LEU A 102 0.863 1.410 -11.504 1.00 0.00 O ATOM 1645 CB LEU A 102 0.396 1.375 -8.252 1.00 0.00 C ATOM 1646 CG LEU A 102 0.556 1.928 -6.835 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.764 3.441 -6.828 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.671 1.568 -6.008 1.00 0.00 C ATOM 0 H LEU A 102 -0.018 3.377 -9.863 1.00 0.00 H new ATOM 0 HA LEU A 102 2.363 2.006 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.615 1.581 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.511 0.291 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 102 1.447 1.476 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.873 3.789 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.664 3.687 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.096 3.929 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.557 1.962 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.560 2.000 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.775 0.484 -5.965 1.00 0.00 H new ATOM 1660 N THR A 103 2.166 0.001 -10.302 1.00 0.00 N ATOM 1661 CA THR A 103 2.308 -0.880 -11.429 1.00 0.00 C ATOM 1662 C THR A 103 2.505 -2.325 -10.975 1.00 0.00 C ATOM 1663 O THR A 103 1.997 -3.265 -11.574 1.00 0.00 O ATOM 1664 CB THR A 103 3.511 -0.381 -12.233 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.083 0.068 -13.493 1.00 0.00 O ATOM 1666 CG2 THR A 103 4.586 -1.444 -12.405 1.00 0.00 C ATOM 0 H THR A 103 2.637 -0.282 -9.443 1.00 0.00 H new ATOM 0 HA THR A 103 1.407 -0.872 -12.043 1.00 0.00 H new ATOM 0 HB THR A 103 3.958 0.438 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.854 0.389 -14.005 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.414 -1.034 -12.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.947 -1.758 -11.426 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.168 -2.303 -12.930 1.00 0.00 H new ATOM 1674 N VAL A 104 3.269 -2.433 -9.876 1.00 0.00 N ATOM 1675 CA VAL A 104 3.585 -3.782 -9.394 1.00 0.00 C ATOM 1676 C VAL A 104 3.668 -3.855 -7.872 1.00 0.00 C ATOM 1677 O VAL A 104 4.044 -2.905 -7.208 1.00 0.00 O ATOM 1678 CB VAL A 104 4.968 -4.144 -9.940 1.00 0.00 C ATOM 1679 CG1 VAL A 104 5.453 -5.497 -9.415 1.00 0.00 C ATOM 1680 CG2 VAL A 104 4.987 -4.166 -11.470 1.00 0.00 C ATOM 0 H VAL A 104 3.656 -1.659 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 104 2.796 -4.457 -9.726 1.00 0.00 H new ATOM 0 HB VAL A 104 5.644 -3.365 -9.587 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.438 -5.715 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.514 -5.465 -8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.753 -6.276 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.987 -4.427 -11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.272 -4.905 -11.832 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.716 -3.182 -11.851 1.00 0.00 H new ATOM 1690 N PRO A 105 3.288 -5.055 -7.351 1.00 0.00 N ATOM 1691 CA PRO A 105 3.408 -5.354 -5.936 1.00 0.00 C ATOM 1692 C PRO A 105 4.894 -5.477 -5.582 1.00 0.00 C ATOM 1693 O PRO A 105 5.673 -6.077 -6.310 1.00 0.00 O ATOM 1694 CB PRO A 105 2.696 -6.688 -5.723 1.00 0.00 C ATOM 1695 CG PRO A 105 2.264 -7.192 -7.112 1.00 0.00 C ATOM 1696 CD PRO A 105 2.648 -6.105 -8.124 1.00 0.00 C ATOM 0 HA PRO A 105 2.971 -4.577 -5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.359 -7.407 -5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.831 -6.564 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.758 -8.133 -7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.191 -7.380 -7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.323 -6.499 -8.884 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.768 -5.727 -8.645 1.00 0.00 H new ATOM 1704 N CYS A 106 5.238 -4.889 -4.433 1.00 0.00 N ATOM 1705 CA CYS A 106 6.643 -4.888 -4.070 1.00 0.00 C ATOM 1706 C CYS A 106 7.053 -6.152 -3.345 1.00 0.00 C ATOM 1707 O CYS A 106 7.978 -6.850 -3.738 1.00 0.00 O ATOM 1708 CB CYS A 106 6.916 -3.698 -3.179 1.00 0.00 C ATOM 1709 SG CYS A 106 8.432 -2.827 -3.636 1.00 0.00 S ATOM 0 H CYS A 106 4.602 -4.435 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 106 7.224 -4.834 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.074 -3.008 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 106 6.990 -4.032 -2.144 1.00 0.00 H new ATOM 0 HG CYS A 106 8.130 -1.730 -4.265 1.00 0.00 H new ATOM 1715 N GLN A 107 6.323 -6.373 -2.246 1.00 0.00 N ATOM 1716 CA GLN A 107 6.626 -7.506 -1.420 1.00 0.00 C ATOM 1717 C GLN A 107 7.088 -8.697 -2.226 1.00 0.00 C ATOM 1718 O GLN A 107 6.891 -8.825 -3.429 1.00 0.00 O ATOM 1719 CB GLN A 107 5.416 -7.871 -0.615 1.00 0.00 C ATOM 1720 CG GLN A 107 5.784 -8.132 0.838 1.00 0.00 C ATOM 1721 CD GLN A 107 6.407 -9.519 0.994 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.068 -10.464 0.291 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.338 -9.572 1.964 1.00 0.00 N ATOM 0 H GLN A 107 5.546 -5.793 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 107 7.448 -7.227 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.683 -7.066 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.947 -8.758 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.484 -7.372 1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.895 -8.054 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.560 -8.736 2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.821 -10.449 2.160 1.00 0.00 H new ATOM 1732 N LYS A 108 7.690 -9.562 -1.427 1.00 0.00 N ATOM 1733 CA LYS A 108 8.254 -10.768 -1.955 1.00 0.00 C ATOM 1734 C LYS A 108 7.212 -11.816 -2.273 1.00 0.00 C ATOM 1735 O LYS A 108 6.015 -11.657 -2.065 1.00 0.00 O ATOM 1736 CB LYS A 108 9.217 -11.289 -0.921 1.00 0.00 C ATOM 1737 CG LYS A 108 10.499 -10.512 -1.023 1.00 0.00 C ATOM 1738 CD LYS A 108 11.378 -10.683 0.209 1.00 0.00 C ATOM 1739 CE LYS A 108 11.947 -12.098 0.307 1.00 0.00 C ATOM 1740 NZ LYS A 108 12.826 -12.264 1.457 1.00 0.00 N ATOM 0 H LYS A 108 7.795 -9.443 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 108 8.750 -10.547 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.791 -11.187 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.405 -12.351 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.049 -10.836 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.271 -9.455 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.196 -9.964 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.797 -10.462 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.127 -12.813 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.498 -12.329 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.187 -13.239 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.624 -11.601 1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.296 -12.070 2.330 1.00 0.00 H new ATOM 1754 N ILE A 109 7.789 -12.904 -2.801 1.00 0.00 N ATOM 1755 CA ILE A 109 6.965 -14.030 -3.178 1.00 0.00 C ATOM 1756 C ILE A 109 7.511 -15.296 -2.508 1.00 0.00 C ATOM 1757 O ILE A 109 7.565 -15.415 -1.290 1.00 0.00 O ATOM 1758 CB ILE A 109 6.983 -14.188 -4.696 1.00 0.00 C ATOM 1759 CG1 ILE A 109 6.575 -12.909 -5.401 1.00 0.00 C ATOM 1760 CG2 ILE A 109 6.055 -15.321 -5.121 1.00 0.00 C ATOM 1761 CD1 ILE A 109 7.645 -11.822 -5.288 1.00 0.00 C ATOM 0 H ILE A 109 8.789 -13.016 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 109 5.938 -13.865 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 109 8.007 -14.423 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.384 -13.121 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.641 -12.543 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.078 -15.422 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.385 -16.253 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.038 -15.098 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.309 -10.925 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.818 -11.589 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.572 -12.176 -5.738 1.00 0.00 H new ATOM 1773 N GLY A 110 7.908 -16.226 -3.399 1.00 0.00 N ATOM 1774 CA GLY A 110 8.454 -17.478 -2.912 1.00 0.00 C ATOM 1775 C GLY A 110 9.936 -17.605 -3.271 1.00 0.00 C ATOM 1776 O GLY A 110 10.759 -18.046 -2.478 1.00 0.00 O ATOM 0 H GLY A 110 7.859 -16.130 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 110 8.332 -17.536 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.899 -18.312 -3.341 1.00 0.00 H new ATOM 1780 N THR A 111 10.214 -17.189 -4.520 1.00 0.00 N ATOM 1781 CA THR A 111 11.586 -17.255 -4.984 1.00 0.00 C ATOM 1782 C THR A 111 12.053 -15.863 -5.399 1.00 0.00 C ATOM 1783 O THR A 111 13.129 -15.404 -5.036 1.00 0.00 O ATOM 1784 CB THR A 111 11.683 -18.227 -6.160 1.00 0.00 C ATOM 1785 OG1 THR A 111 13.020 -18.631 -6.320 1.00 0.00 O ATOM 1786 CG2 THR A 111 11.177 -17.608 -7.464 1.00 0.00 C ATOM 0 H THR A 111 9.535 -16.823 -5.188 1.00 0.00 H new ATOM 0 HA THR A 111 12.229 -17.614 -4.180 1.00 0.00 H new ATOM 0 HB THR A 111 11.049 -19.085 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 111 13.085 -19.256 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 111 11.266 -18.336 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.132 -17.320 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.772 -16.727 -7.703 1.00 0.00 H new ATOM 1794 N GLN A 112 11.166 -15.228 -6.179 1.00 0.00 N ATOM 1795 CA GLN A 112 11.479 -13.910 -6.654 1.00 0.00 C ATOM 1796 C GLN A 112 10.231 -13.029 -6.586 1.00 0.00 C ATOM 1797 O GLN A 112 10.370 -11.833 -6.337 1.00 0.00 O ATOM 1798 CB GLN A 112 11.976 -14.024 -8.087 1.00 0.00 C ATOM 1799 CG GLN A 112 13.477 -14.301 -8.133 1.00 0.00 C ATOM 1800 CD GLN A 112 13.960 -14.323 -9.585 1.00 0.00 C ATOM 1801 OE1 GLN A 112 14.895 -13.631 -9.966 1.00 0.00 O ATOM 1802 NE2 GLN A 112 13.254 -15.166 -10.360 1.00 0.00 N ATOM 1803 OXT GLN A 112 9.133 -13.550 -6.781 1.00 0.00 O ATOM 0 H GLN A 112 10.265 -15.603 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 112 12.252 -13.455 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 112 11.440 -14.825 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 112 11.758 -13.101 -8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.014 -13.535 -7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.694 -15.256 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.488 -15.707 -9.959 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.485 -15.265 -11.349 1.00 0.00 H new TER 1812 GLN A 112 HETATM 1813 C ACE B 0 5.286 10.288 9.483 1.00 0.00 C HETATM 1814 O ACE B 0 5.499 11.245 8.749 1.00 0.00 O HETATM 1815 CH3 ACE B 0 4.227 10.327 10.580 1.00 0.00 C HETATM 0 H1 ACE B 0 3.486 9.548 10.398 1.00 0.00 H new HETATM 0 H2 ACE B 0 4.699 10.160 11.548 1.00 0.00 H new HETATM 0 H3 ACE B 0 3.737 11.301 10.579 1.00 0.00 H new ATOM 1819 N THR B 1 5.922 9.108 9.420 1.00 0.00 N ATOM 1820 CA THR B 1 6.798 8.857 8.296 1.00 0.00 C ATOM 1821 C THR B 1 5.954 8.499 7.077 1.00 0.00 C ATOM 1822 O THR B 1 5.733 7.339 6.754 1.00 0.00 O ATOM 1823 CB THR B 1 7.749 7.719 8.646 1.00 0.00 C ATOM 1824 OG1 THR B 1 8.959 8.245 9.137 1.00 0.00 O ATOM 1825 CG2 THR B 1 8.033 6.824 7.442 1.00 0.00 C ATOM 0 H THR B 1 5.845 8.355 10.103 1.00 0.00 H new ATOM 0 HA THR B 1 7.386 9.746 8.068 1.00 0.00 H new ATOM 0 HB THR B 1 7.268 7.109 9.410 1.00 0.00 H new ATOM 0 HG1 THR B 1 9.567 7.511 9.363 1.00 0.00 H new ATOM 0 HG21 THR B 1 8.715 6.026 7.735 1.00 0.00 H new ATOM 0 HG22 THR B 1 7.100 6.390 7.083 1.00 0.00 H new ATOM 0 HG23 THR B 1 8.487 7.416 6.648 1.00 0.00 H new HETATM 1833 N PTR B 2 5.465 9.565 6.440 1.00 0.00 N HETATM 1834 CA PTR B 2 4.643 9.324 5.272 1.00 0.00 C HETATM 1835 C PTR B 2 4.798 10.415 4.235 1.00 0.00 C HETATM 1836 O PTR B 2 4.647 11.602 4.494 1.00 0.00 O HETATM 1837 CB PTR B 2 3.187 9.188 5.691 1.00 0.00 C HETATM 1838 CG PTR B 2 3.084 8.059 6.643 1.00 0.00 C HETATM 1839 CD1 PTR B 2 2.944 6.733 6.165 1.00 0.00 C HETATM 1840 CD2 PTR B 2 3.272 8.293 8.025 1.00 0.00 C HETATM 1841 CE1 PTR B 2 3.002 5.655 7.055 1.00 0.00 C HETATM 1842 CE2 PTR B 2 3.332 7.219 8.921 1.00 0.00 C HETATM 1843 CZ PTR B 2 3.196 5.903 8.432 1.00 0.00 C HETATM 1844 OH PTR B 2 3.246 4.828 9.327 1.00 0.00 O HETATM 1845 P PTR B 2 2.116 3.755 9.245 1.00 0.00 P HETATM 1846 O1P PTR B 2 2.006 3.192 10.684 1.00 0.00 O HETATM 1847 O2P PTR B 2 2.685 2.656 8.313 1.00 0.00 O HETATM 1848 O3P PTR B 2 0.819 4.320 8.746 1.00 0.00 O HETATM 0 HE2 PTR B 2 3.482 7.398 9.986 1.00 0.00 H new HETATM 0 HE1 PTR B 2 2.898 4.633 6.689 1.00 0.00 H new HETATM 0 HD2 PTR B 2 3.371 9.314 8.394 1.00 0.00 H new HETATM 0 HD1 PTR B 2 2.791 6.552 5.101 1.00 0.00 H new HETATM 0 HB3 PTR B 2 2.837 10.110 6.155 1.00 0.00 H new HETATM 0 HB2 PTR B 2 2.556 9.010 4.820 1.00 0.00 H new HETATM 0 HA PTR B 2 4.977 8.395 4.810 1.00 0.00 H new HETATM 0 H PTR B 2 6.054 10.396 6.486 1.00 0.00 H new ATOM 1857 N GLU B 3 5.108 9.905 3.039 1.00 0.00 N ATOM 1858 CA GLU B 3 5.250 10.816 1.919 1.00 0.00 C ATOM 1859 C GLU B 3 3.980 11.642 1.852 1.00 0.00 C ATOM 1860 O GLU B 3 3.080 11.491 2.670 1.00 0.00 O ATOM 1861 CB GLU B 3 5.465 10.060 0.619 1.00 0.00 C ATOM 1862 CG GLU B 3 6.948 9.819 0.345 1.00 0.00 C ATOM 1863 CD GLU B 3 7.760 11.097 0.576 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.263 12.174 0.253 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.879 10.998 1.077 1.00 0.00 O ATOM 0 H GLU B 3 5.257 8.917 2.834 1.00 0.00 H new ATOM 0 HA GLU B 3 6.122 11.454 2.060 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.943 9.104 0.663 1.00 0.00 H new ATOM 0 HB3 GLU B 3 5.029 10.623 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU B 3 7.318 9.026 0.995 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.082 9.479 -0.682 1.00 0.00 H new ATOM 1872 N THR B 4 3.947 12.518 0.841 1.00 0.00 N ATOM 1873 CA THR B 4 2.759 13.331 0.721 1.00 0.00 C ATOM 1874 C THR B 4 2.031 13.020 -0.569 1.00 0.00 C ATOM 1875 O THR B 4 2.411 13.409 -1.667 1.00 0.00 O ATOM 1876 CB THR B 4 3.122 14.804 0.812 1.00 0.00 C ATOM 1877 OG1 THR B 4 4.442 14.996 0.360 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.987 15.333 2.239 1.00 0.00 C ATOM 0 H THR B 4 4.678 12.669 0.146 1.00 0.00 H new ATOM 0 HA THR B 4 2.085 13.098 1.545 1.00 0.00 H new ATOM 0 HB THR B 4 2.427 15.359 0.182 1.00 0.00 H new ATOM 0 HG1 THR B 4 4.673 15.947 0.418 1.00 0.00 H new ATOM 0 HG21 THR B 4 3.255 16.389 2.262 1.00 0.00 H new ATOM 0 HG22 THR B 4 1.957 15.213 2.576 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.652 14.775 2.898 1.00 0.00 H new ATOM 1886 N LEU B 5 0.948 12.282 -0.318 1.00 0.00 N ATOM 1887 CA LEU B 5 0.095 11.862 -1.384 1.00 0.00 C ATOM 1888 C LEU B 5 -0.637 13.083 -1.952 1.00 0.00 C ATOM 1889 O LEU B 5 -0.182 14.215 -1.838 1.00 0.00 O ATOM 1890 CB LEU B 5 -0.867 10.834 -0.815 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.687 9.525 -1.543 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.184 8.362 -0.719 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.430 9.574 -2.850 1.00 0.00 C ATOM 0 H LEU B 5 0.659 11.975 0.611 1.00 0.00 H new ATOM 0 HA LEU B 5 0.656 11.411 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.684 10.699 0.251 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.894 11.183 -0.920 1.00 0.00 H new ATOM 0 HG LEU B 5 0.378 9.378 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.039 7.435 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.628 8.315 0.217 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.244 8.495 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.301 8.629 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.490 9.742 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.038 10.387 -3.461 1.00 0.00 H new HETATM 1905 N NH2 B 6 -1.793 12.779 -2.565 1.00 0.00 N TER 1908 NH2 B 6