USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ 178:sc= 0.4 (180deg=0.542) USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -0.622 F(o=-3.3!,f=-0.22) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -142:sc= 1.53 (180deg=-0.413) USER MOD Set 2.2: A 49 SER OG : rot -95:sc= 2.23 USER MOD Set 2.3: A 70 SER OG : rot 50:sc= -1.22! USER MOD Set 2.4: A 80 THR OG1 : rot 180:sc= 0.915 USER MOD Set 3.1: A 19 SER OG : rot -105:sc= 0.494 USER MOD Set 3.2: A 30 LYS NZ :NH3+ 139:sc= 0.532 (180deg=0) USER MOD Set 4.1: A 9 TYR OH : rot 166:sc= 1.01 USER MOD Set 4.2: A 13 LYS NZ :NH3+ -157:sc= 2.32 (180deg=0.947) USER MOD Single : A 1 MET CE :methyl 140:sc= -0.112 (180deg=-0.623) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.27 (180deg=1.17) USER MOD Single : A 2 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 58:sc= -0.0941 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.907 K(o=-0.91,f=-5.4!) USER MOD Single : A 21 HIS :FLIP no HE2:sc= 0.39 F(o=-1.4,f=0.39) USER MOD Single : A 22 ASN : amide:sc= -2.12! C(o=-2.1!,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.51) USER MOD Single : A 38 MET CE :methyl 155:sc= -0.531 (180deg=-1.84) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.274 F(o=-1.6!,f=-0.27) USER MOD Single : A 52 THR OG1 : rot -102:sc= 0.975 USER MOD Single : A 53 SER OG : rot 180:sc= -0.906 USER MOD Single : A 62 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.1) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS :FLIP no HE2:sc= -0.0869 F(o=-2.4!,f=-0.087) USER MOD Single : A 74 ASN : amide:sc= 0.341 K(o=0.34,f=-7.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HE2:sc= 0.43 F(o=-1.5,f=0.43) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 77:sc= 1.13 USER MOD Single : A 86 SER OG : rot 33:sc= 0.285 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 91 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.92) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 33:sc= 1.28 USER MOD Single : A 99 SER OG : rot -87:sc= 0.652 USER MOD Single : A 100 TYR OH : rot 42:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= 0.99 K(o=0.99,f=-0.37) USER MOD Single : A 105 ASN : amide:sc= 0.046 X(o=0.046,f=-0.45) USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= 0.963 (180deg=-0.0388!) USER MOD Single : A 113 LYS NZ :NH3+ -169:sc= -0.167 (180deg=-0.249) USER MOD Single : A 117 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.575 -11.136 11.202 1.00 0.00 N ATOM 2 CA MET A 1 -2.447 -10.150 10.523 1.00 0.00 C ATOM 3 C MET A 1 -3.290 -10.815 9.450 1.00 0.00 C ATOM 4 O MET A 1 -2.789 -11.625 8.669 1.00 0.00 O ATOM 5 CB MET A 1 -1.600 -9.048 9.890 1.00 0.00 C ATOM 6 CG MET A 1 -2.410 -7.983 9.166 1.00 0.00 C ATOM 7 SD MET A 1 -3.526 -7.086 10.264 1.00 0.00 S ATOM 8 CE MET A 1 -2.356 -6.327 11.388 1.00 0.00 C ATOM 0 H1 MET A 1 -0.829 -10.636 11.727 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.142 -11.704 11.863 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.140 -11.761 10.493 1.00 0.00 H new ATOM 0 HA MET A 1 -3.111 -9.718 11.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.004 -8.570 10.668 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.902 -9.500 9.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.730 -7.276 8.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.989 -8.452 8.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.676 -5.310 11.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.309 -6.907 12.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.370 -6.302 10.924 1.00 0.00 H new ATOM 20 N THR A 2 -4.567 -10.472 9.410 1.00 0.00 N ATOM 21 CA THR A 2 -5.455 -10.990 8.394 1.00 0.00 C ATOM 22 C THR A 2 -5.977 -9.847 7.529 1.00 0.00 C ATOM 23 O THR A 2 -5.894 -8.683 7.922 1.00 0.00 O ATOM 24 CB THR A 2 -6.632 -11.742 9.029 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.278 -12.168 10.351 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.992 -12.952 8.195 1.00 0.00 C ATOM 0 H THR A 2 -5.008 -9.835 10.073 1.00 0.00 H new ATOM 0 HA THR A 2 -4.895 -11.689 7.772 1.00 0.00 H new ATOM 0 HB THR A 2 -7.490 -11.071 9.076 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.673 -11.557 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.829 -13.476 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.274 -12.632 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.133 -13.621 8.135 1.00 0.00 H new ATOM 34 N ILE A 3 -6.512 -10.182 6.360 1.00 0.00 N ATOM 35 CA ILE A 3 -7.007 -9.181 5.423 1.00 0.00 C ATOM 36 C ILE A 3 -8.084 -8.309 6.071 1.00 0.00 C ATOM 37 O ILE A 3 -8.145 -7.104 5.832 1.00 0.00 O ATOM 38 CB ILE A 3 -7.582 -9.846 4.152 1.00 0.00 C ATOM 39 CG1 ILE A 3 -6.537 -10.754 3.495 1.00 0.00 C ATOM 40 CG2 ILE A 3 -8.066 -8.791 3.166 1.00 0.00 C ATOM 41 CD1 ILE A 3 -5.292 -10.024 3.037 1.00 0.00 C ATOM 0 H ILE A 3 -6.614 -11.144 6.038 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.161 -8.553 5.143 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.434 -10.460 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.251 -11.533 4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.990 -11.252 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.467 -9.280 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.846 -8.188 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.232 -8.149 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.600 -10.734 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.565 -9.264 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.813 -9.548 3.893 1.00 0.00 H new ATOM 53 N SER A 4 -8.908 -8.926 6.906 1.00 0.00 N ATOM 54 CA SER A 4 -10.009 -8.230 7.559 1.00 0.00 C ATOM 55 C SER A 4 -9.510 -7.070 8.428 1.00 0.00 C ATOM 56 O SER A 4 -9.949 -5.931 8.260 1.00 0.00 O ATOM 57 CB SER A 4 -10.806 -9.226 8.401 1.00 0.00 C ATOM 58 OG SER A 4 -11.115 -10.387 7.643 1.00 0.00 O ATOM 0 H SER A 4 -8.834 -9.914 7.149 1.00 0.00 H new ATOM 0 HA SER A 4 -10.652 -7.802 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.232 -9.504 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.726 -8.759 8.752 1.00 0.00 H new ATOM 0 HG SER A 4 -11.624 -11.014 8.198 1.00 0.00 H new ATOM 64 N GLU A 5 -8.583 -7.355 9.341 1.00 0.00 N ATOM 65 CA GLU A 5 -8.031 -6.321 10.212 1.00 0.00 C ATOM 66 C GLU A 5 -7.264 -5.283 9.398 1.00 0.00 C ATOM 67 O GLU A 5 -7.365 -4.085 9.653 1.00 0.00 O ATOM 68 CB GLU A 5 -7.096 -6.917 11.275 1.00 0.00 C ATOM 69 CG GLU A 5 -7.758 -7.896 12.231 1.00 0.00 C ATOM 70 CD GLU A 5 -7.897 -9.282 11.641 1.00 0.00 C ATOM 71 OE1 GLU A 5 -6.929 -10.068 11.726 1.00 0.00 O ATOM 72 OE2 GLU A 5 -8.969 -9.592 11.085 1.00 0.00 O ATOM 0 H GLU A 5 -8.201 -8.288 9.496 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.872 -5.844 10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.273 -7.424 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.662 -6.102 11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.173 -7.953 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.744 -7.521 12.504 1.00 0.00 H new ATOM 79 N LEU A 6 -6.506 -5.758 8.414 1.00 0.00 N ATOM 80 CA LEU A 6 -5.701 -4.887 7.568 1.00 0.00 C ATOM 81 C LEU A 6 -6.602 -3.897 6.827 1.00 0.00 C ATOM 82 O LEU A 6 -6.368 -2.686 6.855 1.00 0.00 O ATOM 83 CB LEU A 6 -4.886 -5.745 6.583 1.00 0.00 C ATOM 84 CG LEU A 6 -3.694 -5.059 5.897 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.149 -4.139 4.773 1.00 0.00 C ATOM 86 CD2 LEU A 6 -2.869 -4.284 6.914 1.00 0.00 C ATOM 0 H LEU A 6 -6.433 -6.749 8.183 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.008 -4.312 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.514 -6.619 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.561 -6.109 5.809 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.072 -5.839 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.279 -3.671 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.690 -4.719 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.804 -3.367 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.029 -3.804 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.492 -3.524 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.494 -4.968 7.675 1.00 0.00 H new ATOM 98 N LEU A 7 -7.645 -4.423 6.197 1.00 0.00 N ATOM 99 CA LEU A 7 -8.598 -3.612 5.446 1.00 0.00 C ATOM 100 C LEU A 7 -9.285 -2.613 6.372 1.00 0.00 C ATOM 101 O LEU A 7 -9.379 -1.421 6.064 1.00 0.00 O ATOM 102 CB LEU A 7 -9.636 -4.533 4.783 1.00 0.00 C ATOM 103 CG LEU A 7 -10.425 -3.944 3.605 1.00 0.00 C ATOM 104 CD1 LEU A 7 -11.477 -2.955 4.081 1.00 0.00 C ATOM 105 CD2 LEU A 7 -9.480 -3.282 2.612 1.00 0.00 C ATOM 0 H LEU A 7 -7.855 -5.421 6.191 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.070 -3.053 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.123 -5.430 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.348 -4.849 5.546 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.942 -4.763 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.017 -2.557 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.176 -3.460 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.993 -2.138 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.054 -2.869 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.933 -2.481 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.775 -4.021 2.232 1.00 0.00 H new ATOM 117 N GLN A 8 -9.747 -3.110 7.513 1.00 0.00 N ATOM 118 CA GLN A 8 -10.458 -2.288 8.484 1.00 0.00 C ATOM 119 C GLN A 8 -9.576 -1.148 8.988 1.00 0.00 C ATOM 120 O GLN A 8 -10.038 -0.017 9.132 1.00 0.00 O ATOM 121 CB GLN A 8 -10.928 -3.149 9.657 1.00 0.00 C ATOM 122 CG GLN A 8 -11.823 -2.409 10.637 1.00 0.00 C ATOM 123 CD GLN A 8 -12.280 -3.283 11.786 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.629 -3.353 12.830 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.400 -3.959 11.601 1.00 0.00 N ATOM 0 H GLN A 8 -9.641 -4.086 7.790 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.327 -1.852 7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.466 -4.014 9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.056 -3.529 10.190 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.286 -1.547 11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.696 -2.026 10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.909 -3.872 10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.756 -4.567 12.338 1.00 0.00 H new ATOM 134 N TYR A 9 -8.305 -1.450 9.246 1.00 0.00 N ATOM 135 CA TYR A 9 -7.359 -0.438 9.705 1.00 0.00 C ATOM 136 C TYR A 9 -7.141 0.631 8.639 1.00 0.00 C ATOM 137 O TYR A 9 -7.090 1.820 8.948 1.00 0.00 O ATOM 138 CB TYR A 9 -6.017 -1.076 10.086 1.00 0.00 C ATOM 139 CG TYR A 9 -4.924 -0.060 10.346 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.917 0.709 11.506 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.915 0.152 9.415 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.930 1.656 11.729 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.931 1.098 9.628 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.940 1.847 10.784 1.00 0.00 C ATOM 145 OH TYR A 9 -1.968 2.801 10.986 1.00 0.00 O ATOM 0 H TYR A 9 -7.909 -2.384 9.145 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.786 0.034 10.590 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.154 -1.689 10.977 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.700 -1.744 9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.693 0.566 12.244 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.900 -0.434 8.508 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.935 2.242 12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.157 1.250 8.890 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.233 2.658 10.354 1.00 0.00 H new ATOM 155 N CYS A 10 -7.018 0.205 7.390 1.00 0.00 N ATOM 156 CA CYS A 10 -6.768 1.132 6.294 1.00 0.00 C ATOM 157 C CYS A 10 -7.909 2.133 6.147 1.00 0.00 C ATOM 158 O CYS A 10 -7.678 3.335 6.036 1.00 0.00 O ATOM 159 CB CYS A 10 -6.566 0.371 4.985 1.00 0.00 C ATOM 160 SG CYS A 10 -5.161 -0.762 5.010 1.00 0.00 S ATOM 0 H CYS A 10 -7.087 -0.773 7.110 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.858 1.685 6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.471 -0.193 4.760 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.428 1.088 4.176 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.314 -1.622 5.973 1.00 0.00 H new ATOM 166 N MET A 11 -9.139 1.633 6.169 1.00 0.00 N ATOM 167 CA MET A 11 -10.307 2.477 6.032 1.00 0.00 C ATOM 168 C MET A 11 -10.514 3.326 7.286 1.00 0.00 C ATOM 169 O MET A 11 -11.197 4.352 7.254 1.00 0.00 O ATOM 170 CB MET A 11 -11.534 1.607 5.768 1.00 0.00 C ATOM 171 CG MET A 11 -12.761 2.414 5.419 1.00 0.00 C ATOM 172 SD MET A 11 -14.214 1.392 5.125 1.00 0.00 S ATOM 173 CE MET A 11 -15.401 2.643 4.633 1.00 0.00 C ATOM 0 H MET A 11 -9.348 0.641 6.281 1.00 0.00 H new ATOM 0 HA MET A 11 -10.157 3.154 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.315 0.917 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.742 1.003 6.651 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.972 3.112 6.229 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.557 3.010 4.529 1.00 0.00 H new ATOM 0 HE1 MET A 11 -16.359 2.170 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 11 -15.527 3.363 5.442 1.00 0.00 H new ATOM 0 HE3 MET A 11 -15.039 3.158 3.743 1.00 0.00 H new ATOM 183 N ALA A 12 -9.904 2.904 8.387 1.00 0.00 N ATOM 184 CA ALA A 12 -10.004 3.629 9.645 1.00 0.00 C ATOM 185 C ALA A 12 -9.090 4.849 9.634 1.00 0.00 C ATOM 186 O ALA A 12 -9.183 5.719 10.502 1.00 0.00 O ATOM 187 CB ALA A 12 -9.662 2.718 10.814 1.00 0.00 C ATOM 0 H ALA A 12 -9.333 2.060 8.433 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.032 3.971 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.742 3.277 11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.355 1.877 10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.644 2.346 10.700 1.00 0.00 H new ATOM 193 N LYS A 13 -8.203 4.900 8.652 1.00 0.00 N ATOM 194 CA LYS A 13 -7.322 6.039 8.478 1.00 0.00 C ATOM 195 C LYS A 13 -8.008 7.072 7.589 1.00 0.00 C ATOM 196 O LYS A 13 -8.394 6.766 6.462 1.00 0.00 O ATOM 197 CB LYS A 13 -5.987 5.592 7.871 1.00 0.00 C ATOM 198 CG LYS A 13 -5.268 4.553 8.702 1.00 0.00 C ATOM 199 CD LYS A 13 -4.729 5.175 9.976 1.00 0.00 C ATOM 200 CE LYS A 13 -3.450 5.962 9.733 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.298 5.070 9.431 1.00 0.00 N ATOM 0 H LYS A 13 -8.076 4.160 7.961 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.112 6.490 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.166 5.189 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.341 6.462 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.950 3.739 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.450 4.121 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.484 5.834 10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.538 4.391 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.601 6.653 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.222 6.564 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.410 5.563 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.367 4.207 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.311 4.816 8.423 1.00 0.00 H new ATOM 215 N PRO A 14 -8.185 8.299 8.104 1.00 0.00 N ATOM 216 CA PRO A 14 -8.937 9.359 7.418 1.00 0.00 C ATOM 217 C PRO A 14 -8.461 9.608 5.988 1.00 0.00 C ATOM 218 O PRO A 14 -7.264 9.760 5.739 1.00 0.00 O ATOM 219 CB PRO A 14 -8.678 10.595 8.282 1.00 0.00 C ATOM 220 CG PRO A 14 -8.372 10.056 9.633 1.00 0.00 C ATOM 221 CD PRO A 14 -7.660 8.752 9.404 1.00 0.00 C ATOM 0 HA PRO A 14 -9.990 9.094 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.847 11.183 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.548 11.251 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.747 10.748 10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.285 9.907 10.210 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.578 8.884 9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.873 8.034 10.196 1.00 0.00 H new ATOM 229 N GLY A 15 -9.404 9.634 5.053 1.00 0.00 N ATOM 230 CA GLY A 15 -9.077 9.962 3.678 1.00 0.00 C ATOM 231 C GLY A 15 -9.066 8.750 2.768 1.00 0.00 C ATOM 232 O GLY A 15 -9.007 8.888 1.548 1.00 0.00 O ATOM 0 H GLY A 15 -10.390 9.434 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.799 10.686 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.099 10.442 3.647 1.00 0.00 H new ATOM 236 N ALA A 16 -9.124 7.564 3.356 1.00 0.00 N ATOM 237 CA ALA A 16 -9.084 6.329 2.587 1.00 0.00 C ATOM 238 C ALA A 16 -10.419 6.045 1.902 1.00 0.00 C ATOM 239 O ALA A 16 -11.390 5.645 2.547 1.00 0.00 O ATOM 240 CB ALA A 16 -8.688 5.164 3.480 1.00 0.00 C ATOM 0 H ALA A 16 -9.199 7.431 4.364 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.333 6.450 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.662 4.247 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.702 5.350 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.416 5.058 4.285 1.00 0.00 H new ATOM 246 N GLU A 17 -10.464 6.272 0.599 1.00 0.00 N ATOM 247 CA GLU A 17 -11.620 5.919 -0.210 1.00 0.00 C ATOM 248 C GLU A 17 -11.258 4.698 -1.049 1.00 0.00 C ATOM 249 O GLU A 17 -10.255 4.703 -1.765 1.00 0.00 O ATOM 250 CB GLU A 17 -12.015 7.098 -1.108 1.00 0.00 C ATOM 251 CG GLU A 17 -13.517 7.260 -1.319 1.00 0.00 C ATOM 252 CD GLU A 17 -14.137 6.158 -2.154 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.070 6.246 -3.399 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.715 5.213 -1.573 1.00 0.00 O ATOM 0 H GLU A 17 -9.704 6.704 0.074 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.473 5.687 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.621 8.017 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.536 6.974 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.010 7.289 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.706 8.219 -1.801 1.00 0.00 H new ATOM 261 N GLN A 18 -12.053 3.648 -0.941 1.00 0.00 N ATOM 262 CA GLN A 18 -11.726 2.382 -1.576 1.00 0.00 C ATOM 263 C GLN A 18 -12.331 2.273 -2.969 1.00 0.00 C ATOM 264 O GLN A 18 -13.551 2.331 -3.139 1.00 0.00 O ATOM 265 CB GLN A 18 -12.217 1.221 -0.721 1.00 0.00 C ATOM 266 CG GLN A 18 -11.623 1.190 0.675 1.00 0.00 C ATOM 267 CD GLN A 18 -12.187 0.060 1.509 1.00 0.00 C ATOM 268 OE1 GLN A 18 -11.656 -1.047 1.519 1.00 0.00 O ATOM 269 NE2 GLN A 18 -13.276 0.332 2.204 1.00 0.00 N ATOM 0 H GLN A 18 -12.930 3.646 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.641 2.339 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.303 1.275 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.980 0.285 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.540 1.083 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.818 2.140 1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.685 1.266 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.709 -0.392 2.778 1.00 0.00 H new ATOM 278 N SER A 19 -11.469 2.098 -3.953 1.00 0.00 N ATOM 279 CA SER A 19 -11.901 1.885 -5.327 1.00 0.00 C ATOM 280 C SER A 19 -11.455 0.500 -5.793 1.00 0.00 C ATOM 281 O SER A 19 -10.262 0.214 -5.849 1.00 0.00 O ATOM 282 CB SER A 19 -11.315 2.966 -6.238 1.00 0.00 C ATOM 283 OG SER A 19 -11.669 4.264 -5.785 1.00 0.00 O ATOM 0 H SER A 19 -10.457 2.099 -3.827 1.00 0.00 H new ATOM 0 HA SER A 19 -12.988 1.945 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.230 2.871 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.676 2.822 -7.257 1.00 0.00 H new ATOM 0 HG SER A 19 -12.364 4.635 -6.367 1.00 0.00 H new ATOM 289 N VAL A 20 -12.406 -0.366 -6.114 1.00 0.00 N ATOM 290 CA VAL A 20 -12.074 -1.739 -6.467 1.00 0.00 C ATOM 291 C VAL A 20 -11.916 -1.926 -7.975 1.00 0.00 C ATOM 292 O VAL A 20 -12.825 -1.653 -8.759 1.00 0.00 O ATOM 293 CB VAL A 20 -13.109 -2.753 -5.914 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.527 -2.374 -6.309 1.00 0.00 C ATOM 295 CG2 VAL A 20 -12.790 -4.167 -6.378 1.00 0.00 C ATOM 0 H VAL A 20 -13.402 -0.146 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.112 -1.942 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.043 -2.722 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.225 -3.106 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.764 -1.388 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.609 -2.356 -7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.531 -4.858 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.811 -4.206 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.799 -4.451 -6.024 1.00 0.00 H new ATOM 305 N HIS A 21 -10.736 -2.380 -8.362 1.00 0.00 N ATOM 306 CA HIS A 21 -10.477 -2.804 -9.727 1.00 0.00 C ATOM 307 C HIS A 21 -10.898 -4.261 -9.845 1.00 0.00 C ATOM 308 O HIS A 21 -10.413 -5.101 -9.091 1.00 0.00 O ATOM 309 CB HIS A 21 -8.983 -2.641 -10.048 1.00 0.00 C ATOM 310 CG HIS A 21 -8.590 -2.988 -11.458 1.00 0.00 C ATOM 311 ND1 HIS A 21 -8.498 -4.184 -12.091 1.00 0.00 N flip ATOM 312 CD2 HIS A 21 -8.186 -2.045 -12.378 1.00 0.00 C flip ATOM 313 CE1 HIS A 21 -8.042 -3.938 -13.361 1.00 0.00 C flip ATOM 314 NE2 HIS A 21 -7.865 -2.643 -13.510 1.00 0.00 N flip ATOM 0 H HIS A 21 -9.932 -2.465 -7.740 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.039 -2.196 -10.436 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.696 -1.608 -9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.410 -3.267 -9.364 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -8.726 -5.097 -11.696 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.139 -0.981 -12.200 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.858 -4.687 -14.117 1.00 0.00 H new ATOM 323 N ASN A 22 -11.799 -4.561 -10.766 1.00 0.00 N ATOM 324 CA ASN A 22 -12.329 -5.918 -10.892 1.00 0.00 C ATOM 325 C ASN A 22 -11.286 -6.844 -11.532 1.00 0.00 C ATOM 326 O ASN A 22 -10.084 -6.614 -11.385 1.00 0.00 O ATOM 327 CB ASN A 22 -13.623 -5.905 -11.716 1.00 0.00 C ATOM 328 CG ASN A 22 -14.485 -7.129 -11.455 1.00 0.00 C ATOM 329 OD1 ASN A 22 -14.497 -7.667 -10.350 1.00 0.00 O ATOM 330 ND2 ASN A 22 -15.183 -7.598 -12.476 1.00 0.00 N ATOM 0 H ASN A 22 -12.180 -3.892 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.557 -6.300 -9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.192 -5.006 -11.481 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.375 -5.857 -12.776 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.756 -8.434 -12.361 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.148 -7.124 -13.378 1.00 0.00 H new ATOM 337 N ASP A 23 -11.748 -7.898 -12.213 1.00 0.00 N ATOM 338 CA ASP A 23 -10.875 -8.865 -12.889 1.00 0.00 C ATOM 339 C ASP A 23 -10.200 -9.791 -11.882 1.00 0.00 C ATOM 340 O ASP A 23 -10.510 -10.980 -11.818 1.00 0.00 O ATOM 341 CB ASP A 23 -9.829 -8.156 -13.757 1.00 0.00 C ATOM 342 CG ASP A 23 -8.941 -9.119 -14.513 1.00 0.00 C ATOM 343 OD1 ASP A 23 -9.337 -9.555 -15.611 1.00 0.00 O ATOM 344 OD2 ASP A 23 -7.835 -9.426 -14.024 1.00 0.00 O ATOM 0 H ASP A 23 -12.742 -8.106 -12.312 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.501 -9.472 -13.543 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.336 -7.503 -14.467 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.210 -7.519 -13.124 1.00 0.00 H new ATOM 349 N TRP A 24 -9.291 -9.244 -11.089 1.00 0.00 N ATOM 350 CA TRP A 24 -8.623 -10.018 -10.055 1.00 0.00 C ATOM 351 C TRP A 24 -9.007 -9.528 -8.665 1.00 0.00 C ATOM 352 O TRP A 24 -8.516 -10.046 -7.662 1.00 0.00 O ATOM 353 CB TRP A 24 -7.101 -9.976 -10.230 1.00 0.00 C ATOM 354 CG TRP A 24 -6.535 -8.604 -10.473 1.00 0.00 C ATOM 355 CD1 TRP A 24 -6.890 -7.432 -9.865 1.00 0.00 C ATOM 356 CD2 TRP A 24 -5.485 -8.274 -11.387 1.00 0.00 C ATOM 357 NE1 TRP A 24 -6.139 -6.395 -10.365 1.00 0.00 N ATOM 358 CE2 TRP A 24 -5.266 -6.888 -11.296 1.00 0.00 C ATOM 359 CE3 TRP A 24 -4.712 -9.019 -12.279 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -4.309 -6.234 -12.064 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -3.762 -8.369 -13.039 1.00 0.00 C ATOM 362 CH2 TRP A 24 -3.568 -6.989 -12.928 1.00 0.00 C ATOM 0 H TRP A 24 -9.000 -8.268 -11.142 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.953 -11.052 -10.157 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.634 -10.394 -9.338 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -6.827 -10.621 -11.065 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.649 -7.335 -9.103 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.219 -5.417 -10.087 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.855 -10.085 -12.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.157 -5.168 -11.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.158 -8.936 -13.732 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.817 -6.510 -13.538 1.00 0.00 H new ATOM 373 N LYS A 25 -9.897 -8.534 -8.624 1.00 0.00 N ATOM 374 CA LYS A 25 -10.366 -7.941 -7.367 1.00 0.00 C ATOM 375 C LYS A 25 -9.219 -7.246 -6.635 1.00 0.00 C ATOM 376 O LYS A 25 -8.526 -7.840 -5.809 1.00 0.00 O ATOM 377 CB LYS A 25 -11.022 -8.998 -6.466 1.00 0.00 C ATOM 378 CG LYS A 25 -12.165 -9.747 -7.136 1.00 0.00 C ATOM 379 CD LYS A 25 -12.690 -10.868 -6.257 1.00 0.00 C ATOM 380 CE LYS A 25 -13.718 -11.713 -6.992 1.00 0.00 C ATOM 381 NZ LYS A 25 -14.171 -12.871 -6.175 1.00 0.00 N ATOM 0 H LYS A 25 -10.312 -8.118 -9.457 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.120 -7.193 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.264 -9.715 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.396 -8.513 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.974 -9.052 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.824 -10.158 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.861 -11.499 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.139 -10.447 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.577 -11.094 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.290 -12.074 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.871 -13.422 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.356 -13.475 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.603 -12.526 -5.294 1.00 0.00 H new ATOM 395 N ALA A 26 -9.016 -5.981 -6.967 1.00 0.00 N ATOM 396 CA ALA A 26 -7.950 -5.194 -6.380 1.00 0.00 C ATOM 397 C ALA A 26 -8.510 -3.930 -5.750 1.00 0.00 C ATOM 398 O ALA A 26 -8.915 -3.006 -6.455 1.00 0.00 O ATOM 399 CB ALA A 26 -6.919 -4.831 -7.439 1.00 0.00 C ATOM 0 H ALA A 26 -9.584 -5.476 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.468 -5.790 -5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.124 -4.240 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.497 -5.742 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.397 -4.251 -8.228 1.00 0.00 H new ATOM 405 N THR A 27 -8.536 -3.893 -4.431 1.00 0.00 N ATOM 406 CA THR A 27 -9.055 -2.738 -3.721 1.00 0.00 C ATOM 407 C THR A 27 -7.975 -1.671 -3.603 1.00 0.00 C ATOM 408 O THR A 27 -6.943 -1.887 -2.966 1.00 0.00 O ATOM 409 CB THR A 27 -9.546 -3.135 -2.314 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.402 -4.279 -2.412 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.299 -1.990 -1.653 1.00 0.00 C ATOM 0 H THR A 27 -8.205 -4.648 -3.830 1.00 0.00 H new ATOM 0 HA THR A 27 -9.899 -2.341 -4.285 1.00 0.00 H new ATOM 0 HB THR A 27 -8.677 -3.372 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.713 -4.533 -1.518 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.633 -2.298 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.640 -1.126 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.163 -1.724 -2.261 1.00 0.00 H new ATOM 419 N GLN A 28 -8.218 -0.526 -4.223 1.00 0.00 N ATOM 420 CA GLN A 28 -7.274 0.575 -4.199 1.00 0.00 C ATOM 421 C GLN A 28 -7.578 1.497 -3.033 1.00 0.00 C ATOM 422 O GLN A 28 -8.680 2.042 -2.934 1.00 0.00 O ATOM 423 CB GLN A 28 -7.337 1.371 -5.508 1.00 0.00 C ATOM 424 CG GLN A 28 -7.005 0.555 -6.747 1.00 0.00 C ATOM 425 CD GLN A 28 -7.122 1.366 -8.025 1.00 0.00 C ATOM 426 OE1 GLN A 28 -6.889 2.575 -8.040 1.00 0.00 O ATOM 427 NE2 GLN A 28 -7.494 0.702 -9.108 1.00 0.00 N ATOM 0 H GLN A 28 -9.069 -0.337 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.272 0.162 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.338 1.789 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.646 2.211 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.991 0.164 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.674 -0.304 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.678 -0.300 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.597 1.192 -9.997 1.00 0.00 H new ATOM 436 N ILE A 29 -6.606 1.650 -2.150 1.00 0.00 N ATOM 437 CA ILE A 29 -6.733 2.566 -1.036 1.00 0.00 C ATOM 438 C ILE A 29 -6.185 3.921 -1.456 1.00 0.00 C ATOM 439 O ILE A 29 -4.975 4.098 -1.623 1.00 0.00 O ATOM 440 CB ILE A 29 -5.993 2.040 0.209 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.447 0.607 0.503 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.263 2.942 1.405 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.622 -0.089 1.553 1.00 0.00 C ATOM 0 H ILE A 29 -5.718 1.149 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.785 2.660 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.920 2.042 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.488 0.625 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.408 0.027 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.734 2.558 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.916 3.951 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.333 2.963 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.004 -1.098 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.584 -0.140 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.680 0.467 2.489 1.00 0.00 H new ATOM 455 N LYS A 30 -7.086 4.863 -1.649 1.00 0.00 N ATOM 456 CA LYS A 30 -6.751 6.118 -2.285 1.00 0.00 C ATOM 457 C LYS A 30 -7.460 7.281 -1.606 1.00 0.00 C ATOM 458 O LYS A 30 -8.581 7.138 -1.130 1.00 0.00 O ATOM 459 CB LYS A 30 -7.162 6.033 -3.760 1.00 0.00 C ATOM 460 CG LYS A 30 -7.210 7.362 -4.493 1.00 0.00 C ATOM 461 CD LYS A 30 -8.047 7.255 -5.758 1.00 0.00 C ATOM 462 CE LYS A 30 -9.462 6.788 -5.446 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.329 6.766 -6.651 1.00 0.00 N ATOM 0 H LYS A 30 -8.064 4.780 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.679 6.295 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.464 5.375 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.145 5.566 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.628 8.127 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.198 7.678 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.083 8.224 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.576 6.558 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.424 5.790 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.902 7.446 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.922 5.912 -6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.937 7.610 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.736 6.761 -7.505 1.00 0.00 H new ATOM 477 N VAL A 31 -6.790 8.427 -1.553 1.00 0.00 N ATOM 478 CA VAL A 31 -7.415 9.663 -1.100 1.00 0.00 C ATOM 479 C VAL A 31 -8.248 10.268 -2.241 1.00 0.00 C ATOM 480 O VAL A 31 -8.974 9.547 -2.926 1.00 0.00 O ATOM 481 CB VAL A 31 -6.351 10.669 -0.589 1.00 0.00 C ATOM 482 CG1 VAL A 31 -5.741 10.173 0.713 1.00 0.00 C ATOM 483 CG2 VAL A 31 -5.258 10.894 -1.626 1.00 0.00 C ATOM 0 H VAL A 31 -5.810 8.525 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.077 9.439 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.849 11.622 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.996 10.888 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.523 10.069 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.266 9.206 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.528 11.604 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.763 9.948 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.700 11.292 -2.540 1.00 0.00 H new ATOM 493 N GLU A 32 -8.164 11.581 -2.430 1.00 0.00 N ATOM 494 CA GLU A 32 -8.828 12.237 -3.555 1.00 0.00 C ATOM 495 C GLU A 32 -8.457 11.545 -4.868 1.00 0.00 C ATOM 496 O GLU A 32 -9.324 11.040 -5.580 1.00 0.00 O ATOM 497 CB GLU A 32 -8.449 13.718 -3.612 1.00 0.00 C ATOM 498 CG GLU A 32 -8.888 14.503 -2.386 1.00 0.00 C ATOM 499 CD GLU A 32 -10.381 14.415 -2.146 1.00 0.00 C ATOM 500 OE1 GLU A 32 -11.153 14.857 -3.021 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.788 13.907 -1.083 1.00 0.00 O ATOM 0 H GLU A 32 -7.644 12.212 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.906 12.161 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.368 13.804 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.896 14.166 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.359 14.128 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.603 15.548 -2.507 1.00 0.00 H new ATOM 508 N ASP A 33 -7.165 11.524 -5.179 1.00 0.00 N ATOM 509 CA ASP A 33 -6.662 10.729 -6.296 1.00 0.00 C ATOM 510 C ASP A 33 -5.168 10.480 -6.134 1.00 0.00 C ATOM 511 O ASP A 33 -4.344 11.105 -6.797 1.00 0.00 O ATOM 512 CB ASP A 33 -6.950 11.393 -7.649 1.00 0.00 C ATOM 513 CG ASP A 33 -6.698 10.451 -8.817 1.00 0.00 C ATOM 514 OD1 ASP A 33 -7.596 9.642 -9.139 1.00 0.00 O ATOM 515 OD2 ASP A 33 -5.605 10.506 -9.417 1.00 0.00 O ATOM 0 H ASP A 33 -6.448 12.046 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.188 9.775 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.986 11.730 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.324 12.279 -7.757 1.00 0.00 H new ATOM 520 N VAL A 34 -4.835 9.603 -5.191 1.00 0.00 N ATOM 521 CA VAL A 34 -3.456 9.189 -4.944 1.00 0.00 C ATOM 522 C VAL A 34 -3.450 7.749 -4.455 1.00 0.00 C ATOM 523 O VAL A 34 -4.011 7.451 -3.399 1.00 0.00 O ATOM 524 CB VAL A 34 -2.738 10.066 -3.880 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.338 9.543 -3.607 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.668 11.524 -4.307 1.00 0.00 C ATOM 0 H VAL A 34 -5.515 9.158 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.918 9.301 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.327 10.007 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.854 10.172 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.398 8.520 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.756 9.562 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.159 12.105 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.117 11.603 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.677 11.911 -4.446 1.00 0.00 H new ATOM 536 N LEU A 35 -2.847 6.861 -5.225 1.00 0.00 N ATOM 537 CA LEU A 35 -2.771 5.463 -4.845 1.00 0.00 C ATOM 538 C LEU A 35 -1.421 5.179 -4.203 1.00 0.00 C ATOM 539 O LEU A 35 -0.386 5.199 -4.866 1.00 0.00 O ATOM 540 CB LEU A 35 -2.997 4.559 -6.061 1.00 0.00 C ATOM 541 CG LEU A 35 -3.022 3.056 -5.761 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.064 2.742 -4.698 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.306 2.262 -7.028 1.00 0.00 C ATOM 0 H LEU A 35 -2.403 7.083 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.557 5.249 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.942 4.836 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.211 4.755 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.041 2.767 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.068 1.671 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.823 3.282 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.048 3.049 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.320 1.197 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.274 2.557 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.528 2.462 -7.765 1.00 0.00 H new ATOM 555 N PHE A 36 -1.440 4.952 -2.898 1.00 0.00 N ATOM 556 CA PHE A 36 -0.212 4.717 -2.153 1.00 0.00 C ATOM 557 C PHE A 36 -0.072 3.251 -1.753 1.00 0.00 C ATOM 558 O PHE A 36 1.036 2.776 -1.501 1.00 0.00 O ATOM 559 CB PHE A 36 -0.153 5.621 -0.914 1.00 0.00 C ATOM 560 CG PHE A 36 -1.356 5.531 -0.009 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.406 4.596 1.014 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.427 6.392 -0.175 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.502 4.522 1.851 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.525 6.323 0.660 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.563 5.387 1.674 1.00 0.00 C ATOM 0 H PHE A 36 -2.290 4.926 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 36 0.625 4.963 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.737 5.367 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.038 6.655 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.578 3.918 1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.404 7.126 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.529 3.788 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.354 7.001 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.421 5.332 2.327 1.00 0.00 H new ATOM 575 N ALA A 37 -1.193 2.543 -1.698 1.00 0.00 N ATOM 576 CA ALA A 37 -1.195 1.132 -1.340 1.00 0.00 C ATOM 577 C ALA A 37 -2.514 0.491 -1.737 1.00 0.00 C ATOM 578 O ALA A 37 -3.562 1.134 -1.682 1.00 0.00 O ATOM 579 CB ALA A 37 -0.947 0.951 0.152 1.00 0.00 C ATOM 0 H ALA A 37 -2.117 2.926 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.387 0.640 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.953 -0.111 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.021 1.378 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.731 1.457 0.715 1.00 0.00 H new ATOM 585 N MET A 38 -2.463 -0.767 -2.152 1.00 0.00 N ATOM 586 CA MET A 38 -3.678 -1.483 -2.521 1.00 0.00 C ATOM 587 C MET A 38 -3.483 -2.995 -2.435 1.00 0.00 C ATOM 588 O MET A 38 -2.437 -3.527 -2.831 1.00 0.00 O ATOM 589 CB MET A 38 -4.152 -1.079 -3.930 1.00 0.00 C ATOM 590 CG MET A 38 -3.323 -1.628 -5.089 1.00 0.00 C ATOM 591 SD MET A 38 -1.617 -1.038 -5.102 1.00 0.00 S ATOM 592 CE MET A 38 -1.083 -1.568 -6.730 1.00 0.00 C ATOM 0 H MET A 38 -1.604 -1.309 -2.241 1.00 0.00 H new ATOM 0 HA MET A 38 -4.451 -1.203 -1.805 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.183 -1.410 -4.056 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.157 0.009 -3.994 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.321 -2.717 -5.040 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.801 -1.352 -6.029 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.264 -0.933 -7.069 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.744 -2.603 -6.683 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.916 -1.490 -7.429 1.00 0.00 H new ATOM 602 N VAL A 39 -4.493 -3.682 -1.908 1.00 0.00 N ATOM 603 CA VAL A 39 -4.470 -5.137 -1.824 1.00 0.00 C ATOM 604 C VAL A 39 -5.083 -5.737 -3.084 1.00 0.00 C ATOM 605 O VAL A 39 -6.115 -5.272 -3.572 1.00 0.00 O ATOM 606 CB VAL A 39 -5.212 -5.672 -0.569 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.653 -5.181 -0.523 1.00 0.00 C ATOM 608 CG2 VAL A 39 -5.158 -7.199 -0.518 1.00 0.00 C ATOM 0 H VAL A 39 -5.338 -3.252 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.427 -5.440 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.701 -5.280 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.143 -5.574 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.665 -4.091 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.183 -5.526 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.684 -7.552 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.633 -7.610 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.119 -7.525 -0.478 1.00 0.00 H new ATOM 618 N LYS A 40 -4.427 -6.747 -3.620 1.00 0.00 N ATOM 619 CA LYS A 40 -4.851 -7.369 -4.859 1.00 0.00 C ATOM 620 C LYS A 40 -4.680 -8.867 -4.751 1.00 0.00 C ATOM 621 O LYS A 40 -3.774 -9.341 -4.061 1.00 0.00 O ATOM 622 CB LYS A 40 -3.995 -6.858 -6.017 1.00 0.00 C ATOM 623 CG LYS A 40 -3.896 -5.346 -6.088 1.00 0.00 C ATOM 624 CD LYS A 40 -2.716 -4.904 -6.934 1.00 0.00 C ATOM 625 CE LYS A 40 -1.407 -5.424 -6.364 1.00 0.00 C ATOM 626 NZ LYS A 40 -1.247 -5.090 -4.919 1.00 0.00 N ATOM 0 H LYS A 40 -3.588 -7.159 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.897 -7.123 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.992 -7.274 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.410 -7.230 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.817 -4.939 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.796 -4.939 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.841 -5.266 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.688 -3.815 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.362 -6.506 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.575 -5.001 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.253 -4.851 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.851 -4.278 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.525 -5.909 -4.341 1.00 0.00 H new ATOM 640 N GLU A 41 -5.538 -9.610 -5.414 1.00 0.00 N ATOM 641 CA GLU A 41 -5.343 -11.035 -5.515 1.00 0.00 C ATOM 642 C GLU A 41 -4.709 -11.344 -6.866 1.00 0.00 C ATOM 643 O GLU A 41 -5.347 -11.202 -7.909 1.00 0.00 O ATOM 644 CB GLU A 41 -6.673 -11.770 -5.368 1.00 0.00 C ATOM 645 CG GLU A 41 -6.512 -13.259 -5.133 1.00 0.00 C ATOM 646 CD GLU A 41 -7.785 -14.028 -5.407 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.051 -14.337 -6.588 1.00 0.00 O ATOM 648 OE2 GLU A 41 -8.532 -14.326 -4.456 1.00 0.00 O ATOM 0 H GLU A 41 -6.369 -9.254 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.686 -11.373 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.230 -11.336 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.268 -11.613 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.716 -13.641 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.203 -13.430 -4.102 1.00 0.00 H new ATOM 655 N VAL A 42 -3.457 -11.754 -6.842 1.00 0.00 N ATOM 656 CA VAL A 42 -2.718 -12.038 -8.062 1.00 0.00 C ATOM 657 C VAL A 42 -1.811 -13.238 -7.835 1.00 0.00 C ATOM 658 O VAL A 42 -1.281 -13.413 -6.737 1.00 0.00 O ATOM 659 CB VAL A 42 -1.904 -10.804 -8.536 1.00 0.00 C ATOM 660 CG1 VAL A 42 -1.029 -10.266 -7.415 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.063 -11.135 -9.764 1.00 0.00 C ATOM 0 H VAL A 42 -2.924 -11.900 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.429 -12.272 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.615 -10.027 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.469 -9.402 -7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.656 -9.969 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.333 -11.041 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.505 -10.251 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.367 -11.938 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.716 -11.453 -10.577 1.00 0.00 H new ATOM 671 N GLU A 43 -1.678 -14.084 -8.858 1.00 0.00 N ATOM 672 CA GLU A 43 -0.962 -15.351 -8.732 1.00 0.00 C ATOM 673 C GLU A 43 -1.669 -16.231 -7.702 1.00 0.00 C ATOM 674 O GLU A 43 -1.060 -17.111 -7.089 1.00 0.00 O ATOM 675 CB GLU A 43 0.509 -15.109 -8.347 1.00 0.00 C ATOM 676 CG GLU A 43 1.299 -14.372 -9.420 1.00 0.00 C ATOM 677 CD GLU A 43 2.730 -14.078 -9.013 1.00 0.00 C ATOM 678 OE1 GLU A 43 3.402 -14.982 -8.475 1.00 0.00 O ATOM 679 OE2 GLU A 43 3.210 -12.955 -9.272 1.00 0.00 O ATOM 0 H GLU A 43 -2.060 -13.911 -9.788 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.965 -15.866 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.545 -14.536 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.988 -16.068 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.303 -14.968 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.795 -13.434 -9.654 1.00 0.00 H new ATOM 686 N ASN A 44 -2.980 -15.985 -7.552 1.00 0.00 N ATOM 687 CA ASN A 44 -3.810 -16.643 -6.540 1.00 0.00 C ATOM 688 C ASN A 44 -3.201 -16.438 -5.153 1.00 0.00 C ATOM 689 O ASN A 44 -3.265 -17.306 -4.284 1.00 0.00 O ATOM 690 CB ASN A 44 -3.974 -18.137 -6.860 1.00 0.00 C ATOM 691 CG ASN A 44 -5.067 -18.808 -6.040 1.00 0.00 C ATOM 692 OD1 ASN A 44 -6.124 -18.069 -5.722 1.00 0.00 O flip ATOM 693 ND2 ASN A 44 -4.974 -19.991 -5.711 1.00 0.00 N flip ATOM 0 H ASN A 44 -3.492 -15.321 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.803 -16.193 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.201 -18.252 -7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.028 -18.647 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.148 -20.530 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.723 -20.432 -5.178 1.00 0.00 H new ATOM 700 N ARG A 45 -2.631 -15.257 -4.951 1.00 0.00 N ATOM 701 CA ARG A 45 -1.922 -14.948 -3.726 1.00 0.00 C ATOM 702 C ARG A 45 -2.268 -13.535 -3.262 1.00 0.00 C ATOM 703 O ARG A 45 -2.328 -12.610 -4.074 1.00 0.00 O ATOM 704 CB ARG A 45 -0.418 -15.069 -3.984 1.00 0.00 C ATOM 705 CG ARG A 45 0.357 -15.767 -2.883 1.00 0.00 C ATOM 706 CD ARG A 45 1.776 -16.068 -3.332 1.00 0.00 C ATOM 707 NE ARG A 45 2.474 -16.951 -2.400 1.00 0.00 N ATOM 708 CZ ARG A 45 2.442 -18.282 -2.472 1.00 0.00 C ATOM 709 NH1 ARG A 45 1.742 -18.885 -3.427 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.121 -19.002 -1.592 1.00 0.00 N ATOM 0 H ARG A 45 -2.649 -14.495 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.216 -15.646 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.265 -15.611 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.005 -14.070 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.378 -15.139 -1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.147 -16.694 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.753 -16.530 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.330 -15.134 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 45 3.018 -16.524 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.226 -18.329 -4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.721 -19.904 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.665 -18.538 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.100 -20.021 -1.642 1.00 0.00 H new ATOM 724 N PRO A 46 -2.531 -13.352 -1.957 1.00 0.00 N ATOM 725 CA PRO A 46 -2.817 -12.034 -1.388 1.00 0.00 C ATOM 726 C PRO A 46 -1.589 -11.129 -1.436 1.00 0.00 C ATOM 727 O PRO A 46 -0.598 -11.376 -0.744 1.00 0.00 O ATOM 728 CB PRO A 46 -3.210 -12.331 0.068 1.00 0.00 C ATOM 729 CG PRO A 46 -3.451 -13.804 0.125 1.00 0.00 C ATOM 730 CD PRO A 46 -2.580 -14.407 -0.936 1.00 0.00 C ATOM 0 HA PRO A 46 -3.597 -11.509 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.418 -12.036 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.103 -11.776 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.201 -14.202 1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.501 -14.035 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.587 -14.648 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.003 -15.331 -1.330 1.00 0.00 H new ATOM 738 N ALA A 47 -1.648 -10.098 -2.266 1.00 0.00 N ATOM 739 CA ALA A 47 -0.510 -9.212 -2.452 1.00 0.00 C ATOM 740 C ALA A 47 -0.875 -7.755 -2.205 1.00 0.00 C ATOM 741 O ALA A 47 -1.870 -7.247 -2.730 1.00 0.00 O ATOM 742 CB ALA A 47 0.046 -9.370 -3.855 1.00 0.00 C ATOM 0 H ALA A 47 -2.470 -9.855 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 47 0.247 -9.493 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.898 -8.703 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.366 -10.401 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.726 -9.120 -4.583 1.00 0.00 H new ATOM 748 N VAL A 48 -0.046 -7.077 -1.435 1.00 0.00 N ATOM 749 CA VAL A 48 -0.229 -5.661 -1.179 1.00 0.00 C ATOM 750 C VAL A 48 0.946 -4.894 -1.771 1.00 0.00 C ATOM 751 O VAL A 48 2.099 -5.303 -1.644 1.00 0.00 O ATOM 752 CB VAL A 48 -0.367 -5.362 0.336 1.00 0.00 C ATOM 753 CG1 VAL A 48 0.859 -5.840 1.105 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.630 -3.879 0.576 1.00 0.00 C ATOM 0 H VAL A 48 0.766 -7.487 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.157 -5.340 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.226 -5.917 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.734 -5.617 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.975 -6.916 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.746 -5.330 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.723 -3.695 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.198 -3.293 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.554 -3.588 0.076 1.00 0.00 H new ATOM 764 N SER A 49 0.651 -3.810 -2.464 1.00 0.00 N ATOM 765 CA SER A 49 1.690 -3.058 -3.138 1.00 0.00 C ATOM 766 C SER A 49 1.769 -1.643 -2.599 1.00 0.00 C ATOM 767 O SER A 49 0.747 -1.001 -2.364 1.00 0.00 O ATOM 768 CB SER A 49 1.438 -3.036 -4.642 1.00 0.00 C ATOM 769 OG SER A 49 1.314 -4.357 -5.154 1.00 0.00 O ATOM 0 H SER A 49 -0.291 -3.434 -2.574 1.00 0.00 H new ATOM 0 HA SER A 49 2.644 -3.550 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.530 -2.472 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.257 -2.522 -5.145 1.00 0.00 H new ATOM 0 HG SER A 49 2.181 -4.658 -5.497 1.00 0.00 H new ATOM 775 N LEU A 50 2.990 -1.187 -2.391 1.00 0.00 N ATOM 776 CA LEU A 50 3.243 0.160 -1.912 1.00 0.00 C ATOM 777 C LEU A 50 3.757 1.028 -3.048 1.00 0.00 C ATOM 778 O LEU A 50 4.482 0.544 -3.923 1.00 0.00 O ATOM 779 CB LEU A 50 4.280 0.161 -0.779 1.00 0.00 C ATOM 780 CG LEU A 50 3.836 -0.443 0.561 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.701 -1.956 0.472 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.820 -0.063 1.656 1.00 0.00 C ATOM 0 H LEU A 50 3.833 -1.738 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 50 2.303 0.559 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.160 -0.383 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.590 1.191 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 50 2.855 -0.037 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.385 -2.351 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.959 -2.211 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.662 -2.392 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.496 -0.496 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.810 -0.442 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.860 1.022 1.749 1.00 0.00 H new ATOM 794 N LYS A 51 3.356 2.293 -3.046 1.00 0.00 N ATOM 795 CA LYS A 51 3.938 3.283 -3.939 1.00 0.00 C ATOM 796 C LYS A 51 5.435 3.395 -3.650 1.00 0.00 C ATOM 797 O LYS A 51 5.842 3.324 -2.488 1.00 0.00 O ATOM 798 CB LYS A 51 3.218 4.635 -3.761 1.00 0.00 C ATOM 799 CG LYS A 51 3.871 5.814 -4.476 1.00 0.00 C ATOM 800 CD LYS A 51 4.880 6.516 -3.581 1.00 0.00 C ATOM 801 CE LYS A 51 5.639 7.606 -4.319 1.00 0.00 C ATOM 802 NZ LYS A 51 6.687 8.222 -3.459 1.00 0.00 N ATOM 0 H LYS A 51 2.627 2.657 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 51 3.811 2.978 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.194 4.534 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.161 4.862 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.367 5.463 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.104 6.523 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.364 6.951 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.587 5.785 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.101 7.187 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.942 8.375 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.208 8.938 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.240 8.673 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.347 7.486 -3.135 1.00 0.00 H new ATOM 816 N THR A 52 6.235 3.545 -4.711 1.00 0.00 N ATOM 817 CA THR A 52 7.695 3.595 -4.611 1.00 0.00 C ATOM 818 C THR A 52 8.172 4.427 -3.419 1.00 0.00 C ATOM 819 O THR A 52 8.111 5.661 -3.431 1.00 0.00 O ATOM 820 CB THR A 52 8.312 4.170 -5.900 1.00 0.00 C ATOM 821 OG1 THR A 52 7.727 3.536 -7.044 1.00 0.00 O ATOM 822 CG2 THR A 52 9.823 3.969 -5.920 1.00 0.00 C ATOM 0 H THR A 52 5.886 3.635 -5.665 1.00 0.00 H new ATOM 0 HA THR A 52 8.027 2.567 -4.464 1.00 0.00 H new ATOM 0 HB THR A 52 8.106 5.240 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.344 2.861 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.233 4.384 -6.841 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.269 4.475 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.049 2.904 -5.870 1.00 0.00 H new ATOM 830 N SER A 53 8.628 3.730 -2.390 1.00 0.00 N ATOM 831 CA SER A 53 9.162 4.365 -1.201 1.00 0.00 C ATOM 832 C SER A 53 10.671 4.167 -1.163 1.00 0.00 C ATOM 833 O SER A 53 11.168 3.128 -1.609 1.00 0.00 O ATOM 834 CB SER A 53 8.508 3.766 0.050 1.00 0.00 C ATOM 835 OG SER A 53 8.939 4.421 1.231 1.00 0.00 O ATOM 0 H SER A 53 8.637 2.711 -2.358 1.00 0.00 H new ATOM 0 HA SER A 53 8.943 5.433 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.424 3.843 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.749 2.705 0.114 1.00 0.00 H new ATOM 0 HG SER A 53 8.501 4.015 2.008 1.00 0.00 H new ATOM 841 N PRO A 54 11.418 5.157 -0.651 1.00 0.00 N ATOM 842 CA PRO A 54 12.878 5.100 -0.588 1.00 0.00 C ATOM 843 C PRO A 54 13.384 3.813 0.063 1.00 0.00 C ATOM 844 O PRO A 54 14.095 3.032 -0.564 1.00 0.00 O ATOM 845 CB PRO A 54 13.266 6.324 0.256 1.00 0.00 C ATOM 846 CG PRO A 54 11.991 6.846 0.835 1.00 0.00 C ATOM 847 CD PRO A 54 10.897 6.413 -0.095 1.00 0.00 C ATOM 0 HA PRO A 54 13.321 5.107 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.968 6.049 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.755 7.081 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.828 6.450 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.020 7.932 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.955 6.262 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.712 7.153 -0.873 1.00 0.00 H new ATOM 855 N GLU A 55 12.977 3.579 1.307 1.00 0.00 N ATOM 856 CA GLU A 55 13.463 2.437 2.075 1.00 0.00 C ATOM 857 C GLU A 55 12.997 1.116 1.462 1.00 0.00 C ATOM 858 O GLU A 55 13.694 0.104 1.548 1.00 0.00 O ATOM 859 CB GLU A 55 13.015 2.552 3.535 1.00 0.00 C ATOM 860 CG GLU A 55 13.479 3.841 4.196 1.00 0.00 C ATOM 861 CD GLU A 55 13.093 3.940 5.659 1.00 0.00 C ATOM 862 OE1 GLU A 55 11.886 3.907 5.969 1.00 0.00 O ATOM 863 OE2 GLU A 55 14.000 4.081 6.507 1.00 0.00 O ATOM 0 H GLU A 55 12.310 4.167 1.806 1.00 0.00 H new ATOM 0 HA GLU A 55 14.553 2.444 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.927 2.497 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.402 1.702 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.563 3.916 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.056 4.689 3.658 1.00 0.00 H new ATOM 870 N LEU A 56 11.831 1.135 0.823 1.00 0.00 N ATOM 871 CA LEU A 56 11.314 -0.053 0.147 1.00 0.00 C ATOM 872 C LEU A 56 12.178 -0.397 -1.064 1.00 0.00 C ATOM 873 O LEU A 56 12.513 -1.561 -1.290 1.00 0.00 O ATOM 874 CB LEU A 56 9.851 0.146 -0.282 1.00 0.00 C ATOM 875 CG LEU A 56 8.792 -0.147 0.796 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.899 -1.589 1.265 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.928 0.806 1.975 1.00 0.00 C ATOM 0 H LEU A 56 11.228 1.955 0.758 1.00 0.00 H new ATOM 0 HA LEU A 56 11.351 -0.883 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.727 1.176 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.654 -0.494 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 56 7.808 0.006 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.144 -1.781 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.740 -2.259 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.890 -1.763 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.167 0.574 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.917 0.695 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.798 1.832 1.630 1.00 0.00 H new ATOM 889 N ALA A 57 12.552 0.623 -1.832 1.00 0.00 N ATOM 890 CA ALA A 57 13.419 0.432 -2.990 1.00 0.00 C ATOM 891 C ALA A 57 14.839 0.096 -2.546 1.00 0.00 C ATOM 892 O ALA A 57 15.546 -0.667 -3.208 1.00 0.00 O ATOM 893 CB ALA A 57 13.411 1.672 -3.876 1.00 0.00 C ATOM 0 H ALA A 57 12.268 1.590 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 57 13.035 -0.406 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.063 1.510 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.396 1.865 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.768 2.529 -3.305 1.00 0.00 H new ATOM 899 N GLU A 58 15.244 0.668 -1.417 1.00 0.00 N ATOM 900 CA GLU A 58 16.541 0.376 -0.823 1.00 0.00 C ATOM 901 C GLU A 58 16.657 -1.109 -0.486 1.00 0.00 C ATOM 902 O GLU A 58 17.680 -1.739 -0.758 1.00 0.00 O ATOM 903 CB GLU A 58 16.742 1.216 0.439 1.00 0.00 C ATOM 904 CG GLU A 58 17.743 2.354 0.281 1.00 0.00 C ATOM 905 CD GLU A 58 17.401 3.313 -0.843 1.00 0.00 C ATOM 906 OE1 GLU A 58 16.639 4.271 -0.604 1.00 0.00 O ATOM 907 OE2 GLU A 58 17.923 3.136 -1.964 1.00 0.00 O ATOM 0 H GLU A 58 14.686 1.342 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 58 17.316 0.628 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.781 1.632 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.075 0.564 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.799 2.910 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.732 1.934 0.100 1.00 0.00 H new ATOM 914 N LEU A 59 15.594 -1.663 0.091 1.00 0.00 N ATOM 915 CA LEU A 59 15.553 -3.073 0.451 1.00 0.00 C ATOM 916 C LEU A 59 15.711 -3.951 -0.789 1.00 0.00 C ATOM 917 O LEU A 59 16.420 -4.958 -0.763 1.00 0.00 O ATOM 918 CB LEU A 59 14.229 -3.385 1.155 1.00 0.00 C ATOM 919 CG LEU A 59 14.068 -4.827 1.640 1.00 0.00 C ATOM 920 CD1 LEU A 59 15.040 -5.125 2.771 1.00 0.00 C ATOM 921 CD2 LEU A 59 12.636 -5.085 2.082 1.00 0.00 C ATOM 0 H LEU A 59 14.743 -1.149 0.320 1.00 0.00 H new ATOM 0 HA LEU A 59 16.380 -3.288 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.126 -2.718 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.411 -3.156 0.472 1.00 0.00 H new ATOM 0 HG LEU A 59 14.296 -5.495 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.909 -6.155 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 59 16.062 -4.984 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.847 -4.450 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.541 -6.116 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.379 -4.408 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.960 -4.917 1.243 1.00 0.00 H new ATOM 933 N LEU A 60 15.060 -3.537 -1.875 1.00 0.00 N ATOM 934 CA LEU A 60 15.094 -4.266 -3.142 1.00 0.00 C ATOM 935 C LEU A 60 16.511 -4.375 -3.699 1.00 0.00 C ATOM 936 O LEU A 60 16.842 -5.332 -4.393 1.00 0.00 O ATOM 937 CB LEU A 60 14.206 -3.567 -4.175 1.00 0.00 C ATOM 938 CG LEU A 60 12.701 -3.650 -3.920 1.00 0.00 C ATOM 939 CD1 LEU A 60 11.953 -2.722 -4.863 1.00 0.00 C ATOM 940 CD2 LEU A 60 12.217 -5.080 -4.093 1.00 0.00 C ATOM 0 H LEU A 60 14.495 -2.688 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 60 14.724 -5.272 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.491 -2.516 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.414 -3.996 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 60 12.503 -3.336 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.883 -2.792 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.284 -1.696 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.155 -3.011 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.144 -5.126 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.425 -5.414 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.735 -5.727 -3.385 1.00 0.00 H new ATOM 952 N ARG A 61 17.336 -3.383 -3.410 1.00 0.00 N ATOM 953 CA ARG A 61 18.688 -3.340 -3.949 1.00 0.00 C ATOM 954 C ARG A 61 19.621 -4.310 -3.232 1.00 0.00 C ATOM 955 O ARG A 61 20.551 -4.844 -3.837 1.00 0.00 O ATOM 956 CB ARG A 61 19.236 -1.915 -3.903 1.00 0.00 C ATOM 957 CG ARG A 61 18.499 -0.974 -4.839 1.00 0.00 C ATOM 958 CD ARG A 61 18.513 -1.509 -6.262 1.00 0.00 C ATOM 959 NE ARG A 61 17.591 -0.788 -7.139 1.00 0.00 N ATOM 960 CZ ARG A 61 16.812 -1.384 -8.041 1.00 0.00 C ATOM 961 NH1 ARG A 61 16.829 -2.708 -8.171 1.00 0.00 N ATOM 962 NH2 ARG A 61 16.011 -0.655 -8.807 1.00 0.00 N ATOM 0 H ARG A 61 17.095 -2.597 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 61 18.638 -3.660 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 61 19.166 -1.536 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.294 -1.928 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 61 17.470 -0.851 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 61 18.964 0.012 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 61 19.524 -1.437 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.248 -2.566 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 61 17.542 0.227 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.440 -3.271 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.231 -3.160 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.992 0.360 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.414 -1.109 -9.498 1.00 0.00 H new ATOM 976 N GLN A 62 19.369 -4.551 -1.953 1.00 0.00 N ATOM 977 CA GLN A 62 20.211 -5.455 -1.175 1.00 0.00 C ATOM 978 C GLN A 62 19.646 -6.871 -1.167 1.00 0.00 C ATOM 979 O GLN A 62 20.363 -7.836 -1.434 1.00 0.00 O ATOM 980 CB GLN A 62 20.385 -4.954 0.262 1.00 0.00 C ATOM 981 CG GLN A 62 21.441 -3.866 0.419 1.00 0.00 C ATOM 982 CD GLN A 62 21.063 -2.561 -0.252 1.00 0.00 C ATOM 983 OE1 GLN A 62 21.375 -2.327 -1.418 1.00 0.00 O ATOM 984 NE2 GLN A 62 20.402 -1.694 0.492 1.00 0.00 N ATOM 0 H GLN A 62 18.595 -4.138 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 62 21.189 -5.476 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.429 -4.572 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.650 -5.797 0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.611 -3.685 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.383 -4.221 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.162 -1.927 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.131 -0.791 0.103 1.00 0.00 H new ATOM 993 N GLN A 63 18.360 -6.998 -0.878 1.00 0.00 N ATOM 994 CA GLN A 63 17.735 -8.307 -0.776 1.00 0.00 C ATOM 995 C GLN A 63 17.126 -8.712 -2.113 1.00 0.00 C ATOM 996 O GLN A 63 16.822 -7.856 -2.944 1.00 0.00 O ATOM 997 CB GLN A 63 16.679 -8.305 0.328 1.00 0.00 C ATOM 998 CG GLN A 63 17.230 -7.931 1.700 1.00 0.00 C ATOM 999 CD GLN A 63 18.423 -8.777 2.114 1.00 0.00 C ATOM 1000 OE1 GLN A 63 18.548 -9.938 1.721 1.00 0.00 O ATOM 1001 NE2 GLN A 63 19.297 -8.213 2.931 1.00 0.00 N ATOM 0 H GLN A 63 17.731 -6.213 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 63 18.498 -9.041 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.887 -7.605 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.224 -9.294 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 63 17.522 -6.881 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.440 -8.038 2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 63 19.162 -7.249 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.106 -8.742 3.256 1.00 0.00 H new ATOM 1010 N HIS A 64 16.969 -10.015 -2.331 1.00 0.00 N ATOM 1011 CA HIS A 64 16.489 -10.513 -3.620 1.00 0.00 C ATOM 1012 C HIS A 64 15.961 -11.952 -3.544 1.00 0.00 C ATOM 1013 O HIS A 64 15.592 -12.529 -4.563 1.00 0.00 O ATOM 1014 CB HIS A 64 17.603 -10.426 -4.679 1.00 0.00 C ATOM 1015 CG HIS A 64 18.893 -11.091 -4.280 1.00 0.00 C ATOM 1016 ND1 HIS A 64 19.173 -12.420 -4.527 1.00 0.00 N ATOM 1017 CD2 HIS A 64 19.986 -10.592 -3.652 1.00 0.00 C ATOM 1018 CE1 HIS A 64 20.378 -12.706 -4.066 1.00 0.00 C ATOM 1019 NE2 HIS A 64 20.891 -11.617 -3.532 1.00 0.00 N ATOM 0 H HIS A 64 17.164 -10.740 -1.641 1.00 0.00 H new ATOM 0 HA HIS A 64 15.653 -9.875 -3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 64 17.245 -10.880 -5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 64 17.801 -9.376 -4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 64 20.120 -9.576 -3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.861 -13.671 -4.118 1.00 0.00 H new ATOM 0 HE2 HIS A 64 21.812 -11.547 -3.099 1.00 0.00 H new ATOM 1028 N SER A 65 15.926 -12.535 -2.352 1.00 0.00 N ATOM 1029 CA SER A 65 15.428 -13.900 -2.199 1.00 0.00 C ATOM 1030 C SER A 65 14.261 -13.952 -1.220 1.00 0.00 C ATOM 1031 O SER A 65 13.872 -15.021 -0.752 1.00 0.00 O ATOM 1032 CB SER A 65 16.560 -14.826 -1.738 1.00 0.00 C ATOM 1033 OG SER A 65 17.285 -14.265 -0.655 1.00 0.00 O ATOM 0 H SER A 65 16.232 -12.092 -1.486 1.00 0.00 H new ATOM 0 HA SER A 65 15.066 -14.243 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.145 -15.788 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.237 -15.016 -2.571 1.00 0.00 H new ATOM 0 HG SER A 65 17.998 -14.881 -0.384 1.00 0.00 H new ATOM 1039 N ASP A 66 13.695 -12.788 -0.940 1.00 0.00 N ATOM 1040 CA ASP A 66 12.612 -12.670 0.026 1.00 0.00 C ATOM 1041 C ASP A 66 11.602 -11.630 -0.436 1.00 0.00 C ATOM 1042 O ASP A 66 10.431 -11.945 -0.660 1.00 0.00 O ATOM 1043 CB ASP A 66 13.172 -12.310 1.409 1.00 0.00 C ATOM 1044 CG ASP A 66 14.379 -11.394 1.326 1.00 0.00 C ATOM 1045 OD1 ASP A 66 14.210 -10.208 0.988 1.00 0.00 O ATOM 1046 OD2 ASP A 66 15.507 -11.868 1.584 1.00 0.00 O ATOM 0 H ASP A 66 13.970 -11.905 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 66 12.102 -13.630 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.393 -11.827 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.449 -13.224 1.935 1.00 0.00 H new ATOM 1051 N VAL A 67 12.055 -10.394 -0.575 1.00 0.00 N ATOM 1052 CA VAL A 67 11.219 -9.328 -1.099 1.00 0.00 C ATOM 1053 C VAL A 67 10.851 -9.605 -2.560 1.00 0.00 C ATOM 1054 O VAL A 67 11.689 -10.018 -3.366 1.00 0.00 O ATOM 1055 CB VAL A 67 11.911 -7.951 -0.965 1.00 0.00 C ATOM 1056 CG1 VAL A 67 13.190 -7.895 -1.787 1.00 0.00 C ATOM 1057 CG2 VAL A 67 10.961 -6.829 -1.352 1.00 0.00 C ATOM 0 H VAL A 67 13.002 -10.104 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 67 10.304 -9.299 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 67 12.186 -7.814 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.653 -6.915 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.879 -8.665 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.955 -8.065 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.469 -5.870 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.642 -6.962 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.089 -6.849 -0.698 1.00 0.00 H new ATOM 1067 N ARG A 68 9.583 -9.400 -2.886 1.00 0.00 N ATOM 1068 CA ARG A 68 9.070 -9.718 -4.209 1.00 0.00 C ATOM 1069 C ARG A 68 8.897 -8.451 -5.047 1.00 0.00 C ATOM 1070 O ARG A 68 8.122 -7.567 -4.696 1.00 0.00 O ATOM 1071 CB ARG A 68 7.727 -10.440 -4.075 1.00 0.00 C ATOM 1072 CG ARG A 68 7.169 -10.978 -5.384 1.00 0.00 C ATOM 1073 CD ARG A 68 7.995 -12.134 -5.926 1.00 0.00 C ATOM 1074 NE ARG A 68 7.243 -12.902 -6.913 1.00 0.00 N ATOM 1075 CZ ARG A 68 7.696 -13.258 -8.111 1.00 0.00 C ATOM 1076 NH1 ARG A 68 8.884 -12.843 -8.534 1.00 0.00 N ATOM 1077 NH2 ARG A 68 6.937 -14.008 -8.897 1.00 0.00 N ATOM 0 H ARG A 68 8.888 -9.013 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 68 9.787 -10.365 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.842 -11.268 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.001 -9.753 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.141 -11.308 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.140 -10.176 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.909 -11.750 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.295 -12.786 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 68 6.296 -13.188 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.457 -12.246 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.223 -13.121 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.014 -14.307 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.275 -14.286 -9.818 1.00 0.00 H new ATOM 1091 N PRO A 69 9.619 -8.344 -6.167 1.00 0.00 N ATOM 1092 CA PRO A 69 9.488 -7.216 -7.086 1.00 0.00 C ATOM 1093 C PRO A 69 8.309 -7.402 -8.044 1.00 0.00 C ATOM 1094 O PRO A 69 8.406 -7.087 -9.231 1.00 0.00 O ATOM 1095 CB PRO A 69 10.820 -7.225 -7.859 1.00 0.00 C ATOM 1096 CG PRO A 69 11.621 -8.364 -7.300 1.00 0.00 C ATOM 1097 CD PRO A 69 10.646 -9.280 -6.622 1.00 0.00 C ATOM 0 HA PRO A 69 9.296 -6.278 -6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.649 -7.357 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.348 -6.280 -7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 69 12.157 -8.886 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.369 -8.002 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.244 -10.027 -7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.102 -9.821 -5.793 1.00 0.00 H new ATOM 1105 N SER A 70 7.186 -7.876 -7.497 1.00 0.00 N ATOM 1106 CA SER A 70 5.991 -8.170 -8.283 1.00 0.00 C ATOM 1107 C SER A 70 6.323 -9.162 -9.400 1.00 0.00 C ATOM 1108 O SER A 70 7.276 -9.938 -9.291 1.00 0.00 O ATOM 1109 CB SER A 70 5.408 -6.872 -8.862 1.00 0.00 C ATOM 1110 OG SER A 70 4.104 -7.076 -9.393 1.00 0.00 O ATOM 0 H SER A 70 7.083 -8.065 -6.500 1.00 0.00 H new ATOM 0 HA SER A 70 5.242 -8.624 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.370 -6.110 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.066 -6.494 -9.645 1.00 0.00 H new ATOM 0 HG SER A 70 3.551 -7.542 -8.732 1.00 0.00 H new ATOM 1116 N ARG A 71 5.520 -9.157 -10.455 1.00 0.00 N ATOM 1117 CA ARG A 71 5.795 -9.972 -11.625 1.00 0.00 C ATOM 1118 C ARG A 71 5.418 -9.213 -12.896 1.00 0.00 C ATOM 1119 O ARG A 71 6.264 -8.578 -13.523 1.00 0.00 O ATOM 1120 CB ARG A 71 5.039 -11.304 -11.567 1.00 0.00 C ATOM 1121 CG ARG A 71 5.451 -12.272 -12.665 1.00 0.00 C ATOM 1122 CD ARG A 71 4.469 -13.422 -12.822 1.00 0.00 C ATOM 1123 NE ARG A 71 4.393 -14.273 -11.636 1.00 0.00 N ATOM 1124 CZ ARG A 71 4.593 -15.591 -11.661 1.00 0.00 C ATOM 1125 NH1 ARG A 71 5.005 -16.182 -12.780 1.00 0.00 N ATOM 1126 NH2 ARG A 71 4.405 -16.315 -10.563 1.00 0.00 N ATOM 0 H ARG A 71 4.671 -8.595 -10.522 1.00 0.00 H new ATOM 0 HA ARG A 71 6.863 -10.189 -11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.210 -11.770 -10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.969 -11.111 -11.644 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.530 -11.734 -13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.441 -12.671 -12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.479 -13.020 -13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.762 -14.028 -13.679 1.00 0.00 H new ATOM 0 HE ARG A 71 4.175 -13.835 -10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.168 -15.627 -13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.158 -17.190 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.107 -15.863 -9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.559 -17.323 -10.584 1.00 0.00 H new ATOM 1140 N HIS A 72 4.140 -9.263 -13.266 1.00 0.00 N ATOM 1141 CA HIS A 72 3.687 -8.613 -14.493 1.00 0.00 C ATOM 1142 C HIS A 72 3.102 -7.226 -14.224 1.00 0.00 C ATOM 1143 O HIS A 72 2.926 -6.441 -15.150 1.00 0.00 O ATOM 1144 CB HIS A 72 2.687 -9.488 -15.267 1.00 0.00 C ATOM 1145 CG HIS A 72 1.393 -9.769 -14.557 1.00 0.00 C ATOM 1146 ND1 HIS A 72 1.005 -10.830 -13.811 1.00 0.00 N flip ATOM 1147 CD2 HIS A 72 0.310 -8.919 -14.595 1.00 0.00 C flip ATOM 1148 CE1 HIS A 72 -0.292 -10.606 -13.421 1.00 0.00 C flip ATOM 1149 NE2 HIS A 72 -0.683 -9.443 -13.906 1.00 0.00 N flip ATOM 0 H HIS A 72 3.408 -9.741 -12.741 1.00 0.00 H new ATOM 0 HA HIS A 72 4.570 -8.482 -15.119 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.463 -9.001 -16.216 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.167 -10.438 -15.502 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.572 -11.646 -13.581 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.280 -7.970 -15.110 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.892 -11.271 -12.818 1.00 0.00 H new ATOM 1158 N LEU A 73 2.785 -6.938 -12.962 1.00 0.00 N ATOM 1159 CA LEU A 73 2.220 -5.641 -12.595 1.00 0.00 C ATOM 1160 C LEU A 73 3.197 -4.513 -12.919 1.00 0.00 C ATOM 1161 O LEU A 73 3.045 -3.820 -13.927 1.00 0.00 O ATOM 1162 CB LEU A 73 1.856 -5.605 -11.109 1.00 0.00 C ATOM 1163 CG LEU A 73 0.655 -6.459 -10.700 1.00 0.00 C ATOM 1164 CD1 LEU A 73 0.519 -6.494 -9.186 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.616 -5.923 -11.335 1.00 0.00 C ATOM 0 H LEU A 73 2.909 -7.582 -12.181 1.00 0.00 H new ATOM 0 HA LEU A 73 1.312 -5.497 -13.180 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.723 -5.930 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.656 -4.571 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 73 0.817 -7.477 -11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.340 -7.106 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.422 -6.920 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.378 -5.481 -8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.462 -6.541 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.782 -4.897 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.518 -5.945 -12.420 1.00 0.00 H new ATOM 1177 N ASN A 74 4.205 -4.343 -12.075 1.00 0.00 N ATOM 1178 CA ASN A 74 5.223 -3.329 -12.302 1.00 0.00 C ATOM 1179 C ASN A 74 6.430 -3.611 -11.420 1.00 0.00 C ATOM 1180 O ASN A 74 6.283 -4.071 -10.290 1.00 0.00 O ATOM 1181 CB ASN A 74 4.686 -1.931 -12.009 1.00 0.00 C ATOM 1182 CG ASN A 74 5.542 -0.855 -12.644 1.00 0.00 C ATOM 1183 OD1 ASN A 74 6.628 -0.546 -12.157 1.00 0.00 O ATOM 1184 ND2 ASN A 74 5.053 -0.267 -13.725 1.00 0.00 N ATOM 0 H ASN A 74 4.339 -4.894 -11.227 1.00 0.00 H new ATOM 0 HA ASN A 74 5.515 -3.367 -13.351 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.664 -1.849 -12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.647 -1.775 -10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.582 0.473 -14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.147 -0.554 -14.096 1.00 0.00 H new ATOM 1191 N LYS A 75 7.615 -3.350 -11.946 1.00 0.00 N ATOM 1192 CA LYS A 75 8.851 -3.684 -11.253 1.00 0.00 C ATOM 1193 C LYS A 75 9.311 -2.576 -10.297 1.00 0.00 C ATOM 1194 O LYS A 75 9.777 -2.859 -9.193 1.00 0.00 O ATOM 1195 CB LYS A 75 9.936 -3.987 -12.286 1.00 0.00 C ATOM 1196 CG LYS A 75 11.237 -4.489 -11.688 1.00 0.00 C ATOM 1197 CD LYS A 75 12.235 -4.860 -12.772 1.00 0.00 C ATOM 1198 CE LYS A 75 12.593 -3.660 -13.634 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.447 -4.039 -14.788 1.00 0.00 N ATOM 0 H LYS A 75 7.749 -2.906 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 75 8.663 -4.563 -10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.559 -4.733 -12.986 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.138 -3.083 -12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.665 -3.720 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.040 -5.357 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.138 -5.263 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.817 -5.648 -13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.680 -3.190 -13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.113 -2.919 -13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.668 -3.192 -15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.330 -4.464 -14.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.942 -4.726 -15.383 1.00 0.00 H new ATOM 1213 N ALA A 76 9.182 -1.319 -10.714 1.00 0.00 N ATOM 1214 CA ALA A 76 9.787 -0.212 -9.966 1.00 0.00 C ATOM 1215 C ALA A 76 8.763 0.816 -9.482 1.00 0.00 C ATOM 1216 O ALA A 76 8.976 1.488 -8.469 1.00 0.00 O ATOM 1217 CB ALA A 76 10.841 0.475 -10.820 1.00 0.00 C ATOM 0 H ALA A 76 8.673 -1.040 -11.553 1.00 0.00 H new ATOM 0 HA ALA A 76 10.245 -0.646 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.286 1.296 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.616 -0.243 -11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.378 0.865 -11.726 1.00 0.00 H new ATOM 1223 N HIS A 77 7.662 0.950 -10.206 1.00 0.00 N ATOM 1224 CA HIS A 77 6.642 1.944 -9.877 1.00 0.00 C ATOM 1225 C HIS A 77 5.856 1.506 -8.646 1.00 0.00 C ATOM 1226 O HIS A 77 5.204 2.319 -7.989 1.00 0.00 O ATOM 1227 CB HIS A 77 5.708 2.151 -11.072 1.00 0.00 C ATOM 1228 CG HIS A 77 4.787 3.326 -10.958 1.00 0.00 C ATOM 1229 ND1 HIS A 77 3.483 3.400 -10.603 1.00 0.00 N flip ATOM 1230 CD2 HIS A 77 5.167 4.611 -11.267 1.00 0.00 C flip ATOM 1231 CE1 HIS A 77 3.101 4.714 -10.706 1.00 0.00 C flip ATOM 1232 NE2 HIS A 77 4.140 5.422 -11.107 1.00 0.00 N flip ATOM 0 H HIS A 77 7.449 0.384 -11.027 1.00 0.00 H new ATOM 0 HA HIS A 77 7.130 2.892 -9.651 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.313 2.268 -11.971 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.109 1.250 -11.206 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.892 2.621 -10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.153 4.909 -11.590 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.116 5.103 -10.495 1.00 0.00 H new ATOM 1241 N TRP A 78 5.925 0.215 -8.343 1.00 0.00 N ATOM 1242 CA TRP A 78 5.280 -0.336 -7.159 1.00 0.00 C ATOM 1243 C TRP A 78 6.203 -1.334 -6.479 1.00 0.00 C ATOM 1244 O TRP A 78 7.145 -1.834 -7.088 1.00 0.00 O ATOM 1245 CB TRP A 78 3.973 -1.049 -7.525 1.00 0.00 C ATOM 1246 CG TRP A 78 2.976 -0.177 -8.218 1.00 0.00 C ATOM 1247 CD1 TRP A 78 2.715 -0.143 -9.555 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.112 0.790 -7.613 1.00 0.00 C ATOM 1249 NE1 TRP A 78 1.742 0.785 -9.820 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.352 1.371 -8.645 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.902 1.217 -6.298 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.403 2.361 -8.403 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.960 2.200 -6.062 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.220 2.759 -7.108 1.00 0.00 C ATOM 0 H TRP A 78 6.425 -0.473 -8.906 1.00 0.00 H new ATOM 0 HA TRP A 78 5.060 0.492 -6.486 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.203 -1.900 -8.166 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.522 -1.447 -6.616 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.203 -0.757 -10.297 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.368 1.004 -10.744 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.465 0.787 -5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.168 2.798 -9.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.792 2.543 -5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.512 3.522 -6.888 1.00 0.00 H new ATOM 1265 N SER A 79 5.930 -1.615 -5.221 1.00 0.00 N ATOM 1266 CA SER A 79 6.602 -2.693 -4.521 1.00 0.00 C ATOM 1267 C SER A 79 5.543 -3.621 -3.945 1.00 0.00 C ATOM 1268 O SER A 79 4.655 -3.178 -3.226 1.00 0.00 O ATOM 1269 CB SER A 79 7.488 -2.130 -3.410 1.00 0.00 C ATOM 1270 OG SER A 79 8.305 -1.080 -3.901 1.00 0.00 O ATOM 0 H SER A 79 5.244 -1.110 -4.660 1.00 0.00 H new ATOM 0 HA SER A 79 7.242 -3.247 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.866 -1.762 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.114 -2.923 -3.001 1.00 0.00 H new ATOM 0 HG SER A 79 8.863 -0.732 -3.174 1.00 0.00 H new ATOM 1276 N THR A 80 5.632 -4.901 -4.260 1.00 0.00 N ATOM 1277 CA THR A 80 4.547 -5.824 -3.963 1.00 0.00 C ATOM 1278 C THR A 80 4.965 -6.900 -2.970 1.00 0.00 C ATOM 1279 O THR A 80 5.842 -7.712 -3.249 1.00 0.00 O ATOM 1280 CB THR A 80 4.029 -6.484 -5.255 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.663 -5.466 -6.198 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.828 -7.377 -4.974 1.00 0.00 C ATOM 0 H THR A 80 6.439 -5.325 -4.719 1.00 0.00 H new ATOM 0 HA THR A 80 3.748 -5.239 -3.507 1.00 0.00 H new ATOM 0 HB THR A 80 4.825 -7.104 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.335 -5.885 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.485 -7.829 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.114 -8.162 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.024 -6.781 -4.542 1.00 0.00 H new ATOM 1290 N VAL A 81 4.324 -6.900 -1.817 1.00 0.00 N ATOM 1291 CA VAL A 81 4.582 -7.900 -0.797 1.00 0.00 C ATOM 1292 C VAL A 81 3.446 -8.917 -0.768 1.00 0.00 C ATOM 1293 O VAL A 81 2.285 -8.560 -0.550 1.00 0.00 O ATOM 1294 CB VAL A 81 4.733 -7.258 0.603 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.063 -8.312 1.650 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.798 -6.171 0.585 1.00 0.00 C ATOM 0 H VAL A 81 3.615 -6.213 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 81 5.519 -8.396 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 81 3.780 -6.801 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.164 -7.837 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.262 -9.051 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.999 -8.805 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.888 -5.733 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.754 -6.604 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.516 -5.397 -0.128 1.00 0.00 H new ATOM 1306 N TYR A 82 3.776 -10.174 -1.019 1.00 0.00 N ATOM 1307 CA TYR A 82 2.802 -11.249 -0.921 1.00 0.00 C ATOM 1308 C TYR A 82 2.781 -11.773 0.509 1.00 0.00 C ATOM 1309 O TYR A 82 3.835 -11.959 1.124 1.00 0.00 O ATOM 1310 CB TYR A 82 3.135 -12.389 -1.893 1.00 0.00 C ATOM 1311 CG TYR A 82 2.931 -12.050 -3.355 1.00 0.00 C ATOM 1312 CD1 TYR A 82 3.940 -11.461 -4.105 1.00 0.00 C ATOM 1313 CD2 TYR A 82 1.730 -12.330 -3.987 1.00 0.00 C ATOM 1314 CE1 TYR A 82 3.755 -11.161 -5.445 1.00 0.00 C ATOM 1315 CE2 TYR A 82 1.535 -12.034 -5.323 1.00 0.00 C ATOM 1316 CZ TYR A 82 2.551 -11.451 -6.048 1.00 0.00 C ATOM 1317 OH TYR A 82 2.354 -11.149 -7.379 1.00 0.00 O ATOM 0 H TYR A 82 4.712 -10.475 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 82 1.820 -10.858 -1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.173 -12.685 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.519 -13.253 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.886 -11.233 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.930 -12.789 -3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.550 -10.702 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.591 -12.259 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 82 2.817 -11.809 -7.936 1.00 0.00 H new ATOM 1327 N LEU A 83 1.589 -11.987 1.043 1.00 0.00 N ATOM 1328 CA LEU A 83 1.445 -12.475 2.406 1.00 0.00 C ATOM 1329 C LEU A 83 1.672 -13.980 2.466 1.00 0.00 C ATOM 1330 O LEU A 83 0.725 -14.764 2.536 1.00 0.00 O ATOM 1331 CB LEU A 83 0.065 -12.117 2.970 1.00 0.00 C ATOM 1332 CG LEU A 83 -0.228 -10.616 3.069 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -1.624 -10.376 3.621 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.815 -9.919 3.932 1.00 0.00 C ATOM 0 H LEU A 83 0.708 -11.831 0.554 1.00 0.00 H new ATOM 0 HA LEU A 83 2.202 -11.988 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.697 -12.580 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.029 -12.556 3.963 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.179 -10.194 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.811 -9.304 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.360 -10.835 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.703 -10.816 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.588 -8.854 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.802 -10.347 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.802 -10.056 3.491 1.00 0.00 H new ATOM 1346 N ASP A 84 2.938 -14.372 2.396 1.00 0.00 N ATOM 1347 CA ASP A 84 3.316 -15.777 2.471 1.00 0.00 C ATOM 1348 C ASP A 84 3.385 -16.244 3.921 1.00 0.00 C ATOM 1349 O ASP A 84 2.395 -16.708 4.484 1.00 0.00 O ATOM 1350 CB ASP A 84 4.667 -16.021 1.784 1.00 0.00 C ATOM 1351 CG ASP A 84 4.611 -15.845 0.279 1.00 0.00 C ATOM 1352 OD1 ASP A 84 4.337 -16.837 -0.428 1.00 0.00 O ATOM 1353 OD2 ASP A 84 4.858 -14.721 -0.207 1.00 0.00 O ATOM 0 H ASP A 84 3.725 -13.732 2.287 1.00 0.00 H new ATOM 0 HA ASP A 84 2.550 -16.352 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.406 -15.335 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.007 -17.031 2.013 1.00 0.00 H new ATOM 1358 N GLY A 85 4.556 -16.103 4.526 1.00 0.00 N ATOM 1359 CA GLY A 85 4.735 -16.519 5.902 1.00 0.00 C ATOM 1360 C GLY A 85 5.867 -15.777 6.574 1.00 0.00 C ATOM 1361 O GLY A 85 6.615 -16.352 7.364 1.00 0.00 O ATOM 0 H GLY A 85 5.387 -15.707 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.811 -16.350 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.934 -17.590 5.934 1.00 0.00 H new ATOM 1365 N SER A 86 5.990 -14.497 6.261 1.00 0.00 N ATOM 1366 CA SER A 86 7.040 -13.665 6.827 1.00 0.00 C ATOM 1367 C SER A 86 6.508 -12.246 7.017 1.00 0.00 C ATOM 1368 O SER A 86 5.303 -12.025 6.887 1.00 0.00 O ATOM 1369 CB SER A 86 8.278 -13.674 5.918 1.00 0.00 C ATOM 1370 OG SER A 86 9.384 -13.038 6.541 1.00 0.00 O ATOM 0 H SER A 86 5.371 -14.009 5.614 1.00 0.00 H new ATOM 0 HA SER A 86 7.339 -14.063 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.541 -14.702 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.046 -13.168 4.981 1.00 0.00 H new ATOM 0 HG SER A 86 9.346 -13.189 7.509 1.00 0.00 H new ATOM 1376 N LEU A 87 7.409 -11.305 7.309 1.00 0.00 N ATOM 1377 CA LEU A 87 7.049 -9.917 7.584 1.00 0.00 C ATOM 1378 C LEU A 87 6.068 -9.827 8.751 1.00 0.00 C ATOM 1379 O LEU A 87 4.855 -9.909 8.565 1.00 0.00 O ATOM 1380 CB LEU A 87 6.469 -9.225 6.343 1.00 0.00 C ATOM 1381 CG LEU A 87 7.487 -8.784 5.280 1.00 0.00 C ATOM 1382 CD1 LEU A 87 8.571 -7.916 5.901 1.00 0.00 C ATOM 1383 CD2 LEU A 87 8.099 -9.983 4.569 1.00 0.00 C ATOM 0 H LEU A 87 8.411 -11.488 7.361 1.00 0.00 H new ATOM 0 HA LEU A 87 7.965 -9.395 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.755 -9.902 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.910 -8.348 6.669 1.00 0.00 H new ATOM 0 HG LEU A 87 6.955 -8.191 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.281 -7.615 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.118 -7.029 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.092 -8.481 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.815 -9.637 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.609 -10.616 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.312 -10.556 4.078 1.00 0.00 H new ATOM 1395 N PRO A 88 6.592 -9.672 9.977 1.00 0.00 N ATOM 1396 CA PRO A 88 5.767 -9.606 11.187 1.00 0.00 C ATOM 1397 C PRO A 88 4.756 -8.462 11.147 1.00 0.00 C ATOM 1398 O PRO A 88 4.933 -7.488 10.411 1.00 0.00 O ATOM 1399 CB PRO A 88 6.784 -9.379 12.314 1.00 0.00 C ATOM 1400 CG PRO A 88 8.026 -8.910 11.638 1.00 0.00 C ATOM 1401 CD PRO A 88 8.025 -9.550 10.281 1.00 0.00 C ATOM 0 HA PRO A 88 5.170 -10.509 11.311 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.421 -8.639 13.027 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.964 -10.298 12.872 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.039 -7.823 11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.911 -9.198 12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.543 -8.936 9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.520 -10.521 10.292 1.00 0.00 H new ATOM 1409 N ASP A 89 3.706 -8.589 11.954 1.00 0.00 N ATOM 1410 CA ASP A 89 2.632 -7.595 12.012 1.00 0.00 C ATOM 1411 C ASP A 89 3.185 -6.192 12.235 1.00 0.00 C ATOM 1412 O ASP A 89 2.642 -5.213 11.722 1.00 0.00 O ATOM 1413 CB ASP A 89 1.648 -7.939 13.135 1.00 0.00 C ATOM 1414 CG ASP A 89 0.980 -9.289 12.947 1.00 0.00 C ATOM 1415 OD1 ASP A 89 1.680 -10.323 13.020 1.00 0.00 O ATOM 1416 OD2 ASP A 89 -0.250 -9.326 12.729 1.00 0.00 O ATOM 0 H ASP A 89 3.574 -9.380 12.585 1.00 0.00 H new ATOM 0 HA ASP A 89 2.114 -7.615 11.053 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.176 -7.931 14.088 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.882 -7.165 13.189 1.00 0.00 H new ATOM 1421 N SER A 90 4.275 -6.110 12.995 1.00 0.00 N ATOM 1422 CA SER A 90 4.934 -4.845 13.281 1.00 0.00 C ATOM 1423 C SER A 90 5.372 -4.141 11.995 1.00 0.00 C ATOM 1424 O SER A 90 5.122 -2.947 11.815 1.00 0.00 O ATOM 1425 CB SER A 90 6.136 -5.097 14.191 1.00 0.00 C ATOM 1426 OG SER A 90 6.829 -6.273 13.796 1.00 0.00 O ATOM 0 H SER A 90 4.723 -6.918 13.427 1.00 0.00 H new ATOM 0 HA SER A 90 4.226 -4.188 13.786 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.811 -4.242 14.155 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.802 -5.196 15.224 1.00 0.00 H new ATOM 0 HG SER A 90 7.596 -6.416 14.389 1.00 0.00 H new ATOM 1432 N GLN A 91 6.000 -4.892 11.093 1.00 0.00 N ATOM 1433 CA GLN A 91 6.450 -4.355 9.823 1.00 0.00 C ATOM 1434 C GLN A 91 5.259 -3.971 8.954 1.00 0.00 C ATOM 1435 O GLN A 91 5.311 -2.996 8.204 1.00 0.00 O ATOM 1436 CB GLN A 91 7.310 -5.390 9.097 1.00 0.00 C ATOM 1437 CG GLN A 91 8.623 -5.712 9.794 1.00 0.00 C ATOM 1438 CD GLN A 91 9.495 -4.494 10.015 1.00 0.00 C ATOM 1439 OE1 GLN A 91 9.421 -3.514 9.276 1.00 0.00 O ATOM 1440 NE2 GLN A 91 10.346 -4.558 11.024 1.00 0.00 N ATOM 0 H GLN A 91 6.207 -5.882 11.226 1.00 0.00 H new ATOM 0 HA GLN A 91 7.045 -3.462 10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.735 -6.310 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.525 -5.026 8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.411 -6.179 10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.173 -6.442 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.376 -5.390 11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.973 -3.776 11.213 1.00 0.00 H new ATOM 1449 N ILE A 92 4.182 -4.740 9.075 1.00 0.00 N ATOM 1450 CA ILE A 92 2.964 -4.487 8.315 1.00 0.00 C ATOM 1451 C ILE A 92 2.369 -3.127 8.684 1.00 0.00 C ATOM 1452 O ILE A 92 1.878 -2.402 7.818 1.00 0.00 O ATOM 1453 CB ILE A 92 1.922 -5.605 8.541 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.518 -6.961 8.148 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.646 -5.328 7.751 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.600 -8.136 8.406 1.00 0.00 C ATOM 0 H ILE A 92 4.129 -5.548 9.696 1.00 0.00 H new ATOM 0 HA ILE A 92 3.229 -4.478 7.258 1.00 0.00 H new ATOM 0 HB ILE A 92 1.661 -5.628 9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.775 -6.940 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.447 -7.111 8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.072 -6.129 7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.217 -4.379 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.880 -5.277 6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.095 -9.058 8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.362 -8.186 9.469 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.680 -8.012 7.834 1.00 0.00 H new ATOM 1468 N TYR A 93 2.435 -2.775 9.970 1.00 0.00 N ATOM 1469 CA TYR A 93 1.995 -1.456 10.420 1.00 0.00 C ATOM 1470 C TYR A 93 2.776 -0.361 9.699 1.00 0.00 C ATOM 1471 O TYR A 93 2.195 0.608 9.208 1.00 0.00 O ATOM 1472 CB TYR A 93 2.174 -1.297 11.935 1.00 0.00 C ATOM 1473 CG TYR A 93 1.235 -2.144 12.771 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.143 -2.062 12.606 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.728 -3.017 13.733 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.000 -2.827 13.375 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.877 -3.785 14.506 1.00 0.00 C ATOM 1478 CZ TYR A 93 -0.485 -3.685 14.324 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.336 -4.445 15.098 1.00 0.00 O ATOM 0 H TYR A 93 2.786 -3.381 10.712 1.00 0.00 H new ATOM 0 HA TYR A 93 0.935 -1.363 10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.201 -1.551 12.195 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.029 -0.249 12.197 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.550 -1.390 11.865 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.795 -3.097 13.880 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.068 -2.753 13.233 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.278 -4.459 15.248 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.812 -4.996 15.716 1.00 0.00 H new ATOM 1489 N TYR A 94 4.095 -0.539 9.631 1.00 0.00 N ATOM 1490 CA TYR A 94 4.966 0.401 8.936 1.00 0.00 C ATOM 1491 C TYR A 94 4.563 0.526 7.470 1.00 0.00 C ATOM 1492 O TYR A 94 4.388 1.630 6.967 1.00 0.00 O ATOM 1493 CB TYR A 94 6.437 -0.038 9.045 1.00 0.00 C ATOM 1494 CG TYR A 94 7.355 0.619 8.029 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.763 1.940 8.175 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.805 -0.088 6.917 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.592 2.539 7.239 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.634 0.502 5.983 1.00 0.00 C ATOM 1499 CZ TYR A 94 9.023 1.814 6.145 1.00 0.00 C ATOM 1500 OH TYR A 94 9.839 2.402 5.201 1.00 0.00 O ATOM 0 H TYR A 94 4.583 -1.330 10.052 1.00 0.00 H new ATOM 0 HA TYR A 94 4.858 1.376 9.411 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.800 0.189 10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.493 -1.120 8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.429 2.508 9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.501 -1.115 6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.899 3.567 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.976 -0.063 5.129 1.00 0.00 H new ATOM 0 HH TYR A 94 10.424 3.056 5.637 1.00 0.00 H new ATOM 1510 N LEU A 95 4.405 -0.615 6.804 1.00 0.00 N ATOM 1511 CA LEU A 95 4.098 -0.645 5.378 1.00 0.00 C ATOM 1512 C LEU A 95 2.872 0.207 5.046 1.00 0.00 C ATOM 1513 O LEU A 95 2.912 1.026 4.131 1.00 0.00 O ATOM 1514 CB LEU A 95 3.869 -2.087 4.910 1.00 0.00 C ATOM 1515 CG LEU A 95 5.068 -3.026 5.075 1.00 0.00 C ATOM 1516 CD1 LEU A 95 4.705 -4.437 4.641 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.263 -2.516 4.282 1.00 0.00 C ATOM 0 H LEU A 95 4.485 -1.537 7.233 1.00 0.00 H new ATOM 0 HA LEU A 95 4.955 -0.225 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.025 -2.501 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.584 -2.069 3.858 1.00 0.00 H new ATOM 0 HG LEU A 95 5.341 -3.049 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.569 -5.090 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.881 -4.805 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.404 -4.429 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.104 -3.197 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.002 -2.461 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.540 -1.524 4.639 1.00 0.00 H new ATOM 1529 N VAL A 96 1.800 0.027 5.808 1.00 0.00 N ATOM 1530 CA VAL A 96 0.541 0.708 5.524 1.00 0.00 C ATOM 1531 C VAL A 96 0.598 2.193 5.895 1.00 0.00 C ATOM 1532 O VAL A 96 0.131 3.047 5.141 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.639 0.042 6.270 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.953 0.741 5.958 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.723 -1.432 5.920 1.00 0.00 C ATOM 0 H VAL A 96 1.776 -0.583 6.625 1.00 0.00 H new ATOM 0 HA VAL A 96 0.381 0.623 4.449 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.456 0.137 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.763 0.250 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.892 1.785 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.147 0.690 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.558 -1.886 6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.875 -1.543 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.204 -1.928 6.209 1.00 0.00 H new ATOM 1545 N ASP A 97 1.175 2.503 7.053 1.00 0.00 N ATOM 1546 CA ASP A 97 1.200 3.884 7.533 1.00 0.00 C ATOM 1547 C ASP A 97 2.214 4.720 6.751 1.00 0.00 C ATOM 1548 O ASP A 97 1.961 5.882 6.441 1.00 0.00 O ATOM 1549 CB ASP A 97 1.504 3.932 9.034 1.00 0.00 C ATOM 1550 CG ASP A 97 1.094 5.252 9.665 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.140 5.887 9.161 1.00 0.00 O ATOM 1552 OD2 ASP A 97 1.694 5.636 10.689 1.00 0.00 O ATOM 0 H ASP A 97 1.626 1.828 7.670 1.00 0.00 H new ATOM 0 HA ASP A 97 0.211 4.313 7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.983 3.116 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.571 3.773 9.191 1.00 0.00 H new ATOM 1557 N ALA A 98 3.347 4.114 6.405 1.00 0.00 N ATOM 1558 CA ALA A 98 4.393 4.817 5.665 1.00 0.00 C ATOM 1559 C ALA A 98 3.890 5.282 4.305 1.00 0.00 C ATOM 1560 O ALA A 98 4.131 6.420 3.903 1.00 0.00 O ATOM 1561 CB ALA A 98 5.621 3.939 5.494 1.00 0.00 C ATOM 0 H ALA A 98 3.564 3.142 6.624 1.00 0.00 H new ATOM 0 HA ALA A 98 4.670 5.696 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.385 4.485 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.011 3.664 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.350 3.037 4.945 1.00 0.00 H new ATOM 1567 N SER A 99 3.187 4.404 3.597 1.00 0.00 N ATOM 1568 CA SER A 99 2.630 4.754 2.303 1.00 0.00 C ATOM 1569 C SER A 99 1.543 5.808 2.473 1.00 0.00 C ATOM 1570 O SER A 99 1.398 6.706 1.642 1.00 0.00 O ATOM 1571 CB SER A 99 2.082 3.505 1.609 1.00 0.00 C ATOM 1572 OG SER A 99 1.237 2.778 2.477 1.00 0.00 O ATOM 0 H SER A 99 2.992 3.449 3.899 1.00 0.00 H new ATOM 0 HA SER A 99 3.417 5.172 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.530 3.793 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.908 2.872 1.284 1.00 0.00 H new ATOM 0 HG SER A 99 1.775 2.161 3.016 1.00 0.00 H new ATOM 1578 N TYR A 100 0.798 5.708 3.568 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.229 6.688 3.881 1.00 0.00 C ATOM 1580 C TYR A 100 0.392 8.071 4.063 1.00 0.00 C ATOM 1581 O TYR A 100 -0.092 9.051 3.494 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.008 6.271 5.132 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.035 7.286 5.580 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.103 7.633 4.762 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.937 7.894 6.824 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.041 8.559 5.172 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.871 8.820 7.242 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.920 9.149 6.412 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.850 10.074 6.826 1.00 0.00 O ATOM 0 H TYR A 100 0.888 4.957 4.252 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.929 6.735 3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.509 5.323 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.304 6.098 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.201 7.171 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.115 7.638 7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.865 8.820 4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.780 9.284 8.213 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.748 9.766 6.584 1.00 0.00 H new ATOM 1599 N GLN A 101 1.478 8.149 4.834 1.00 0.00 N ATOM 1600 CA GLN A 101 2.190 9.412 5.010 1.00 0.00 C ATOM 1601 C GLN A 101 2.692 9.950 3.675 1.00 0.00 C ATOM 1602 O GLN A 101 2.721 11.165 3.467 1.00 0.00 O ATOM 1603 CB GLN A 101 3.371 9.282 5.977 1.00 0.00 C ATOM 1604 CG GLN A 101 3.031 9.634 7.417 1.00 0.00 C ATOM 1605 CD GLN A 101 2.474 8.467 8.198 1.00 0.00 C ATOM 1606 OE1 GLN A 101 3.226 7.711 8.811 1.00 0.00 O ATOM 1607 NE2 GLN A 101 1.160 8.325 8.199 1.00 0.00 N ATOM 0 H GLN A 101 1.879 7.360 5.341 1.00 0.00 H new ATOM 0 HA GLN A 101 1.472 10.111 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.745 8.259 5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.179 9.929 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.927 10.002 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.305 10.447 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.576 8.977 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.730 7.563 8.723 1.00 0.00 H new ATOM 1616 N GLN A 102 3.083 9.047 2.776 1.00 0.00 N ATOM 1617 CA GLN A 102 3.554 9.441 1.449 1.00 0.00 C ATOM 1618 C GLN A 102 2.486 10.243 0.713 1.00 0.00 C ATOM 1619 O GLN A 102 2.801 11.188 -0.004 1.00 0.00 O ATOM 1620 CB GLN A 102 3.960 8.221 0.609 1.00 0.00 C ATOM 1621 CG GLN A 102 5.248 7.553 1.069 1.00 0.00 C ATOM 1622 CD GLN A 102 5.733 6.499 0.090 1.00 0.00 C ATOM 1623 OE1 GLN A 102 5.304 5.261 0.286 1.00 0.00 O flip ATOM 1624 NE2 GLN A 102 6.494 6.795 -0.831 1.00 0.00 N flip ATOM 0 H GLN A 102 3.083 8.041 2.942 1.00 0.00 H new ATOM 0 HA GLN A 102 4.435 10.066 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.153 7.489 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.074 8.530 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.022 8.310 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.088 7.093 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.802 7.760 -0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.817 6.075 -1.477 1.00 0.00 H new ATOM 1633 N ALA A 103 1.229 9.863 0.894 1.00 0.00 N ATOM 1634 CA ALA A 103 0.121 10.584 0.288 1.00 0.00 C ATOM 1635 C ALA A 103 -0.152 11.886 1.038 1.00 0.00 C ATOM 1636 O ALA A 103 -0.329 12.938 0.427 1.00 0.00 O ATOM 1637 CB ALA A 103 -1.124 9.716 0.262 1.00 0.00 C ATOM 0 H ALA A 103 0.952 9.058 1.456 1.00 0.00 H new ATOM 0 HA ALA A 103 0.394 10.832 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.944 10.270 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.927 8.815 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.396 9.439 1.281 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.163 11.797 2.366 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.475 12.934 3.234 1.00 0.00 C ATOM 1645 C VAL A 104 0.435 14.136 2.968 1.00 0.00 C ATOM 1646 O VAL A 104 -0.040 15.268 2.877 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.374 12.536 4.726 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -0.600 13.735 5.633 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.377 11.439 5.045 1.00 0.00 C ATOM 0 H VAL A 104 0.044 10.936 2.872 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.499 13.226 3.002 1.00 0.00 H new ATOM 0 HB VAL A 104 0.634 12.162 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.523 13.423 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.153 14.495 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.592 14.147 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.297 11.167 6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.386 11.797 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.169 10.565 4.428 1.00 0.00 H new ATOM 1659 N ASN A 105 1.736 13.894 2.826 1.00 0.00 N ATOM 1660 CA ASN A 105 2.689 14.990 2.667 1.00 0.00 C ATOM 1661 C ASN A 105 2.651 15.555 1.249 1.00 0.00 C ATOM 1662 O ASN A 105 3.153 16.650 0.997 1.00 0.00 O ATOM 1663 CB ASN A 105 4.118 14.550 3.027 1.00 0.00 C ATOM 1664 CG ASN A 105 4.792 13.732 1.937 1.00 0.00 C ATOM 1665 OD1 ASN A 105 5.442 14.280 1.047 1.00 0.00 O ATOM 1666 ND2 ASN A 105 4.665 12.419 2.008 1.00 0.00 N ATOM 0 H ASN A 105 2.151 12.962 2.818 1.00 0.00 H new ATOM 0 HA ASN A 105 2.391 15.777 3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.721 15.434 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.089 13.963 3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.114 11.825 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.118 11.999 2.760 1.00 0.00 H new ATOM 1673 N LEU A 106 2.064 14.807 0.321 1.00 0.00 N ATOM 1674 CA LEU A 106 1.944 15.270 -1.056 1.00 0.00 C ATOM 1675 C LEU A 106 0.688 16.115 -1.232 1.00 0.00 C ATOM 1676 O LEU A 106 0.563 16.868 -2.197 1.00 0.00 O ATOM 1677 CB LEU A 106 1.915 14.092 -2.031 1.00 0.00 C ATOM 1678 CG LEU A 106 3.209 13.281 -2.129 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.063 12.174 -3.162 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.383 14.181 -2.480 1.00 0.00 C ATOM 0 H LEU A 106 1.667 13.884 0.496 1.00 0.00 H new ATOM 0 HA LEU A 106 2.818 15.883 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.108 13.421 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.669 14.471 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 106 3.404 12.828 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.991 11.606 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.249 11.510 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.844 12.612 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.293 13.584 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.197 14.664 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.502 14.941 -1.708 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.238 15.981 -0.296 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.479 16.734 -0.341 1.00 0.00 C ATOM 1694 C LEU A 107 -1.245 18.178 0.098 1.00 0.00 C ATOM 1695 O LEU A 107 -0.463 18.432 1.015 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.535 16.076 0.553 1.00 0.00 C ATOM 1697 CG LEU A 107 -2.953 14.662 0.142 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -3.993 14.111 1.108 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.493 14.656 -1.279 1.00 0.00 C ATOM 0 H LEU A 107 -0.152 15.356 0.506 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.842 16.737 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.153 16.042 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.422 16.710 0.566 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.073 14.020 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.279 13.105 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.574 14.078 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.872 14.755 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.785 13.642 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.361 15.313 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.721 15.009 -1.963 1.00 0.00 H new ATOM 1711 N PRO A 108 -1.900 19.141 -0.569 1.00 0.00 N ATOM 1712 CA PRO A 108 -1.797 20.562 -0.225 1.00 0.00 C ATOM 1713 C PRO A 108 -2.544 20.907 1.065 1.00 0.00 C ATOM 1714 O PRO A 108 -3.222 20.057 1.648 1.00 0.00 O ATOM 1715 CB PRO A 108 -2.440 21.279 -1.423 1.00 0.00 C ATOM 1716 CG PRO A 108 -2.652 20.228 -2.463 1.00 0.00 C ATOM 1717 CD PRO A 108 -2.776 18.931 -1.724 1.00 0.00 C ATOM 0 HA PRO A 108 -0.763 20.856 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.384 21.744 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.793 22.073 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -3.550 20.432 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -1.817 20.199 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.804 18.732 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.452 18.085 -2.331 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.424 22.163 1.486 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.006 22.640 2.743 1.00 0.00 C ATOM 1727 C GLU A 109 -4.490 22.292 2.851 1.00 0.00 C ATOM 1728 O GLU A 109 -4.929 21.698 3.836 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.830 24.156 2.846 1.00 0.00 C ATOM 1730 CG GLU A 109 -3.216 24.732 4.199 1.00 0.00 C ATOM 1731 CD GLU A 109 -2.353 24.205 5.326 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -2.677 23.135 5.879 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -1.349 24.866 5.669 1.00 0.00 O ATOM 0 H GLU A 109 -1.920 22.882 0.967 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.485 22.143 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.789 24.406 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.432 24.635 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.136 25.818 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.260 24.496 4.405 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.247 22.670 1.829 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.685 22.442 1.791 1.00 0.00 C ATOM 1742 C GLU A 110 -7.016 20.960 1.974 1.00 0.00 C ATOM 1743 O GLU A 110 -7.883 20.596 2.768 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.216 22.970 0.460 1.00 0.00 C ATOM 1745 CG GLU A 110 -8.720 22.913 0.296 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.178 21.669 -0.431 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -8.848 21.519 -1.628 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -9.878 20.839 0.177 1.00 0.00 O ATOM 0 H GLU A 110 -4.881 23.143 1.003 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.165 22.971 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.893 24.005 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.757 22.400 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.191 22.949 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.056 23.794 -0.251 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.294 20.111 1.257 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.500 18.667 1.327 1.00 0.00 C ATOM 1757 C LYS A 111 -6.164 18.126 2.715 1.00 0.00 C ATOM 1758 O LYS A 111 -6.855 17.249 3.235 1.00 0.00 O ATOM 1759 CB LYS A 111 -5.641 17.961 0.278 1.00 0.00 C ATOM 1760 CG LYS A 111 -6.428 17.191 -0.776 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.327 18.101 -1.602 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.776 18.029 -1.144 1.00 0.00 C ATOM 1763 NZ LYS A 111 -9.653 18.933 -1.928 1.00 0.00 N ATOM 0 H LYS A 111 -5.555 20.397 0.615 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.553 18.470 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.020 18.704 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.967 17.271 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.734 16.671 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.035 16.429 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.972 19.129 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -7.263 17.819 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.135 17.004 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.836 18.292 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.541 19.090 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.172 19.843 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.862 18.500 -2.850 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.106 18.661 3.315 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.649 18.204 4.621 1.00 0.00 C ATOM 1779 C ARG A 112 -5.615 18.621 5.725 1.00 0.00 C ATOM 1780 O ARG A 112 -5.714 17.953 6.752 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.246 18.740 4.911 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.192 18.215 3.952 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.824 18.812 4.231 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.305 18.431 5.543 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.446 19.226 6.303 1.00 0.00 C ATOM 1786 NH1 ARG A 112 0.728 20.465 5.909 1.00 0.00 N ATOM 1787 NH2 ARG A 112 0.922 18.783 7.457 1.00 0.00 N ATOM 0 H ARG A 112 -4.547 19.415 2.915 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.614 17.115 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.263 19.829 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.966 18.472 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.137 17.129 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.486 18.445 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.125 18.488 3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.886 19.899 4.170 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.531 17.502 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.368 20.812 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.304 21.068 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.713 17.833 7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.497 19.392 8.039 1.00 0.00 H new ATOM 1801 N LYS A 113 -6.336 19.713 5.504 1.00 0.00 N ATOM 1802 CA LYS A 113 -7.320 20.185 6.462 1.00 0.00 C ATOM 1803 C LYS A 113 -8.427 19.159 6.651 1.00 0.00 C ATOM 1804 O LYS A 113 -8.908 18.948 7.766 1.00 0.00 O ATOM 1805 CB LYS A 113 -7.897 21.521 6.003 1.00 0.00 C ATOM 1806 CG LYS A 113 -7.020 22.704 6.365 1.00 0.00 C ATOM 1807 CD LYS A 113 -6.863 22.815 7.870 1.00 0.00 C ATOM 1808 CE LYS A 113 -5.927 23.941 8.262 1.00 0.00 C ATOM 1809 NZ LYS A 113 -4.539 23.704 7.797 1.00 0.00 N ATOM 0 H LYS A 113 -6.255 20.288 4.666 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.827 20.328 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.037 21.497 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.882 21.657 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.041 22.593 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.458 23.621 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.840 22.980 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.483 21.873 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.294 24.878 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.931 24.053 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.901 24.395 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.244 22.742 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.497 23.808 6.763 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.808 18.506 5.564 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.809 17.467 5.608 1.00 0.00 C ATOM 1825 C LEU A 114 -9.352 16.313 6.496 1.00 0.00 C ATOM 1826 O LEU A 114 -10.130 15.771 7.280 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.070 16.976 4.191 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.716 18.001 3.255 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -10.899 17.415 1.867 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -12.051 18.469 3.815 1.00 0.00 C ATOM 0 H LEU A 114 -8.430 18.685 4.634 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.729 17.869 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.124 16.655 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.713 16.097 4.241 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.052 18.863 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.359 18.158 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.928 17.129 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.541 16.536 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.495 19.197 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.721 17.615 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.895 18.930 4.790 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.076 15.966 6.376 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.478 14.893 7.168 1.00 0.00 C ATOM 1844 C LEU A 115 -7.451 15.251 8.654 1.00 0.00 C ATOM 1845 O LEU A 115 -7.460 14.372 9.517 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.054 14.610 6.680 1.00 0.00 C ATOM 1847 CG LEU A 115 -5.922 14.277 5.191 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -4.460 14.083 4.823 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -6.726 13.034 4.846 1.00 0.00 C ATOM 0 H LEU A 115 -7.428 16.417 5.731 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.091 14.001 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.435 15.481 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.649 13.779 7.258 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.320 15.112 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.380 13.847 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.907 14.999 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.043 13.264 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.619 12.815 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.359 12.190 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.777 13.205 5.077 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.407 16.545 8.949 1.00 0.00 N ATOM 1862 CA VAL A 116 -7.406 17.013 10.329 1.00 0.00 C ATOM 1863 C VAL A 116 -8.822 16.995 10.904 1.00 0.00 C ATOM 1864 O VAL A 116 -9.025 16.676 12.078 1.00 0.00 O ATOM 1865 CB VAL A 116 -6.815 18.438 10.444 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -6.821 18.919 11.888 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -5.404 18.479 9.876 1.00 0.00 C ATOM 0 H VAL A 116 -7.372 17.288 8.251 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.776 16.333 10.903 1.00 0.00 H new ATOM 0 HB VAL A 116 -7.445 19.110 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -6.400 19.923 11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.845 18.935 12.262 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.222 18.243 12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -5.005 19.489 9.966 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.769 17.787 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.426 18.190 8.825 1.00 0.00 H new ATOM 1877 N GLN A 117 -9.798 17.319 10.065 1.00 0.00 N ATOM 1878 CA GLN A 117 -11.186 17.399 10.485 1.00 0.00 C ATOM 1879 C GLN A 117 -11.792 16.020 10.745 1.00 0.00 C ATOM 1880 O GLN A 117 -12.536 15.844 11.709 1.00 0.00 O ATOM 1881 CB GLN A 117 -11.996 18.130 9.420 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.750 19.630 9.384 1.00 0.00 C ATOM 1883 CD GLN A 117 -12.211 20.326 10.650 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -13.364 20.746 10.752 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -11.316 20.469 11.616 1.00 0.00 N ATOM 0 H GLN A 117 -9.648 17.532 9.079 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.218 17.949 11.426 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.758 17.709 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.056 17.949 9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.686 19.817 9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.270 20.059 8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.370 20.107 11.493 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.572 20.941 12.483 1.00 0.00 H new ATOM 1894 N LEU A 118 -11.468 15.055 9.891 1.00 0.00 N ATOM 1895 CA LEU A 118 -12.038 13.712 9.991 1.00 0.00 C ATOM 1896 C LEU A 118 -11.589 13.004 11.266 1.00 0.00 C ATOM 1897 O LEU A 118 -10.538 12.335 11.241 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.647 12.874 8.770 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.162 13.397 7.426 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.677 12.508 6.289 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.681 13.478 7.429 1.00 0.00 C ATOM 0 H LEU A 118 -10.812 15.176 9.119 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.122 13.819 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.560 12.813 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.018 11.859 8.913 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.766 14.401 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.052 12.893 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.587 12.501 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.045 11.493 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.027 13.852 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.098 12.486 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.008 14.154 8.219 1.00 0.00 H new TER 1913 LEU A 118