USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 937 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 53 SER OG : rot -77:sc= 0.639 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= 0.3 F(o=0.42,f=0.94) USER MOD Set 2.1: A 52 THR OG1 : rot -8:sc= 0.366 USER MOD Set 2.2: A 77 HIS : no HD1:sc= -0.0305 X(o=0.34,f=0.26) USER MOD Set 3.1: A 49 SER OG : rot -103:sc= 0.46 USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 21 HIS : no HE2:sc= 0.569 K(o=-2.8,f=-8.3!) USER MOD Set 4.2: A 28 GLN : amide:sc= -1.53 K(o=-2.8,f=-3.6) USER MOD Set 4.3: A 38 MET CE :methyl -136:sc= -1.85 (180deg=-4.55!) USER MOD Set 5.1: A 11 MET CE :methyl -146:sc= -0.303 (180deg=-1.6!) USER MOD Set 5.2: A 18 GLN :FLIP amide:sc= -1.81 F(o=-3.7!,f=-2.1) USER MOD Set 6.1: A 9 TYR OH : rot 180:sc= 0.0544 USER MOD Set 6.2: A 13 LYS NZ :NH3+ 147:sc= 0.48 (180deg=0) USER MOD Single : A 1 MET CE :methyl -132:sc= -1.39 (180deg=-3.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0863 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 10 CYS SG : rot 60:sc= -0.306 USER MOD Single : A 19 SER OG : rot 170:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0065) 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 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 1.51 (180deg=1.21) USER MOD Single : A 44 ASN : amide:sc= -0.374! X(o=-0.37!,f=-0.24) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-8.21e-05) USER MOD Single : A 62 GLN : amide:sc= 0.984 K(o=0.98,f=-0.018) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.25) USER MOD Single : A 65 SER OG : rot 110:sc= -0.129 USER MOD Single : A 72 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : A 74 ASN : amide:sc= -0.287 K(o=-0.29,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc=-0.00552 (180deg=-0.172) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 97:sc= -2.03! USER MOD Single : A 90 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 91 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.35) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -161:sc= 0.878 USER MOD Single : A 99 SER OG : rot -172:sc= 0.42 USER MOD Single : A 100 TYR OH : rot 12:sc= -1.5! USER MOD Single : A 101 GLN :FLIP amide:sc= -0.329 F(o=-1.2,f=-0.33) USER MOD Single : A 105 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0067) USER MOD Single : A 111 LYS NZ :NH3+ -116:sc= 0.523 (180deg=0.00278) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.845 -11.418 11.704 1.00 0.00 N ATOM 2 CA MET A 1 -2.462 -10.231 11.069 1.00 0.00 C ATOM 3 C MET A 1 -2.934 -10.588 9.676 1.00 0.00 C ATOM 4 O MET A 1 -2.129 -10.861 8.784 1.00 0.00 O ATOM 5 CB MET A 1 -1.453 -9.089 10.998 1.00 0.00 C ATOM 6 CG MET A 1 -2.063 -7.699 11.140 1.00 0.00 C ATOM 7 SD MET A 1 -3.188 -7.265 9.796 1.00 0.00 S ATOM 8 CE MET A 1 -2.070 -7.266 8.397 1.00 0.00 C ATOM 0 H1 MET A 1 -1.521 -11.171 12.661 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.546 -12.184 11.763 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.034 -11.734 11.135 1.00 0.00 H new ATOM 0 HA MET A 1 -3.314 -9.910 11.668 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.710 -9.228 11.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.925 -9.145 10.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.601 -7.642 12.086 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.261 -6.962 11.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.217 -6.357 7.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.041 -7.306 8.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.271 -8.136 7.771 1.00 0.00 H new ATOM 20 N THR A 2 -4.235 -10.593 9.493 1.00 0.00 N ATOM 21 CA THR A 2 -4.814 -11.017 8.240 1.00 0.00 C ATOM 22 C THR A 2 -5.254 -9.818 7.403 1.00 0.00 C ATOM 23 O THR A 2 -5.448 -8.724 7.933 1.00 0.00 O ATOM 24 CB THR A 2 -6.012 -11.942 8.498 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.918 -12.503 9.818 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.039 -13.069 7.485 1.00 0.00 C ATOM 0 H THR A 2 -4.914 -10.307 10.199 1.00 0.00 H new ATOM 0 HA THR A 2 -4.051 -11.561 7.683 1.00 0.00 H new ATOM 0 HB THR A 2 -6.926 -11.355 8.408 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.178 -11.828 10.479 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.894 -13.715 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.122 -12.654 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.120 -13.650 7.562 1.00 0.00 H new ATOM 34 N ILE A 3 -5.412 -10.032 6.098 1.00 0.00 N ATOM 35 CA ILE A 3 -5.807 -8.967 5.174 1.00 0.00 C ATOM 36 C ILE A 3 -7.102 -8.292 5.625 1.00 0.00 C ATOM 37 O ILE A 3 -7.229 -7.071 5.561 1.00 0.00 O ATOM 38 CB ILE A 3 -5.993 -9.512 3.735 1.00 0.00 C ATOM 39 CG1 ILE A 3 -4.688 -10.135 3.223 1.00 0.00 C ATOM 40 CG2 ILE A 3 -6.462 -8.406 2.793 1.00 0.00 C ATOM 41 CD1 ILE A 3 -3.537 -9.155 3.134 1.00 0.00 C ATOM 0 H ILE A 3 -5.272 -10.939 5.653 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.002 -8.232 5.177 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.760 -10.286 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.405 -10.955 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.864 -10.565 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.586 -8.812 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.414 -8.009 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.721 -7.607 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.649 -9.669 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.799 -8.347 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.333 -8.743 4.122 1.00 0.00 H new ATOM 53 N SER A 4 -8.045 -9.095 6.094 1.00 0.00 N ATOM 54 CA SER A 4 -9.335 -8.595 6.550 1.00 0.00 C ATOM 55 C SER A 4 -9.166 -7.589 7.694 1.00 0.00 C ATOM 56 O SER A 4 -9.901 -6.605 7.788 1.00 0.00 O ATOM 57 CB SER A 4 -10.179 -9.780 7.005 1.00 0.00 C ATOM 58 OG SER A 4 -9.873 -10.926 6.224 1.00 0.00 O ATOM 0 H SER A 4 -7.940 -10.107 6.169 1.00 0.00 H new ATOM 0 HA SER A 4 -9.830 -8.075 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.991 -9.987 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.238 -9.539 6.912 1.00 0.00 H new ATOM 0 HG SER A 4 -10.419 -11.682 6.525 1.00 0.00 H new ATOM 64 N GLU A 5 -8.173 -7.835 8.545 1.00 0.00 N ATOM 65 CA GLU A 5 -7.889 -6.956 9.674 1.00 0.00 C ATOM 66 C GLU A 5 -7.159 -5.709 9.193 1.00 0.00 C ATOM 67 O GLU A 5 -7.389 -4.609 9.693 1.00 0.00 O ATOM 68 CB GLU A 5 -7.044 -7.697 10.712 1.00 0.00 C ATOM 69 CG GLU A 5 -7.669 -9.001 11.173 1.00 0.00 C ATOM 70 CD GLU A 5 -6.763 -9.790 12.097 1.00 0.00 C ATOM 71 OE1 GLU A 5 -5.858 -10.485 11.592 1.00 0.00 O ATOM 72 OE2 GLU A 5 -6.961 -9.731 13.327 1.00 0.00 O ATOM 0 H GLU A 5 -7.550 -8.639 8.473 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.829 -6.655 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.060 -7.903 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.891 -7.050 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.607 -8.788 11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.912 -9.610 10.302 1.00 0.00 H new ATOM 79 N LEU A 6 -6.293 -5.892 8.204 1.00 0.00 N ATOM 80 CA LEU A 6 -5.574 -4.782 7.590 1.00 0.00 C ATOM 81 C LEU A 6 -6.570 -3.821 6.946 1.00 0.00 C ATOM 82 O LEU A 6 -6.433 -2.600 7.050 1.00 0.00 O ATOM 83 CB LEU A 6 -4.576 -5.326 6.553 1.00 0.00 C ATOM 84 CG LEU A 6 -3.507 -4.346 6.034 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.078 -3.410 4.983 1.00 0.00 C ATOM 86 CD2 LEU A 6 -2.907 -3.547 7.185 1.00 0.00 C ATOM 0 H LEU A 6 -6.070 -6.805 7.808 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.015 -4.236 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.066 -6.184 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.142 -5.694 5.698 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.717 -4.935 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.298 -2.732 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.451 -3.993 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.895 -2.833 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.154 -2.861 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.693 -2.980 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.444 -4.229 7.899 1.00 0.00 H new ATOM 98 N LEU A 7 -7.580 -4.387 6.297 1.00 0.00 N ATOM 99 CA LEU A 7 -8.643 -3.603 5.678 1.00 0.00 C ATOM 100 C LEU A 7 -9.366 -2.746 6.717 1.00 0.00 C ATOM 101 O LEU A 7 -9.719 -1.596 6.451 1.00 0.00 O ATOM 102 CB LEU A 7 -9.643 -4.527 4.977 1.00 0.00 C ATOM 103 CG LEU A 7 -9.091 -5.311 3.783 1.00 0.00 C ATOM 104 CD1 LEU A 7 -10.163 -6.219 3.199 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.565 -4.358 2.720 1.00 0.00 C ATOM 0 H LEU A 7 -7.686 -5.395 6.185 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.190 -2.941 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.029 -5.237 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.488 -3.928 4.637 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.266 -5.932 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.753 -6.768 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.497 -6.924 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.008 -5.617 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.176 -4.931 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.374 -3.713 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.767 -3.747 3.142 1.00 0.00 H new ATOM 117 N GLN A 8 -9.577 -3.311 7.902 1.00 0.00 N ATOM 118 CA GLN A 8 -10.243 -2.595 8.982 1.00 0.00 C ATOM 119 C GLN A 8 -9.316 -1.531 9.569 1.00 0.00 C ATOM 120 O GLN A 8 -9.754 -0.430 9.898 1.00 0.00 O ATOM 121 CB GLN A 8 -10.692 -3.565 10.079 1.00 0.00 C ATOM 122 CG GLN A 8 -11.442 -2.888 11.215 1.00 0.00 C ATOM 123 CD GLN A 8 -11.833 -3.848 12.318 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.162 -4.850 12.557 1.00 0.00 O ATOM 125 NE2 GLN A 8 -12.925 -3.549 12.999 1.00 0.00 N ATOM 0 H GLN A 8 -9.296 -4.263 8.138 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.125 -2.104 8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.330 -4.330 9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.817 -4.074 10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.820 -2.096 11.633 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.339 -2.413 10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.455 -2.708 12.770 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.238 -4.159 13.754 1.00 0.00 H new ATOM 134 N TYR A 9 -8.033 -1.864 9.682 1.00 0.00 N ATOM 135 CA TYR A 9 -7.033 -0.928 10.191 1.00 0.00 C ATOM 136 C TYR A 9 -6.979 0.335 9.333 1.00 0.00 C ATOM 137 O TYR A 9 -6.813 1.445 9.844 1.00 0.00 O ATOM 138 CB TYR A 9 -5.653 -1.594 10.232 1.00 0.00 C ATOM 139 CG TYR A 9 -4.530 -0.655 10.625 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.385 -0.226 11.938 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.618 -0.193 9.683 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.370 0.638 12.298 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.599 0.669 10.037 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.480 1.081 11.345 1.00 0.00 C ATOM 145 OH TYR A 9 -1.471 1.947 11.702 1.00 0.00 O ATOM 0 H TYR A 9 -7.660 -2.778 9.427 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.321 -0.643 11.203 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.682 -2.425 10.937 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.434 -2.016 9.251 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.078 -0.574 12.690 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.708 -0.514 8.656 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.274 0.965 13.323 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.899 1.018 9.292 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.930 2.162 10.914 1.00 0.00 H new ATOM 155 N CYS A 10 -7.138 0.161 8.030 1.00 0.00 N ATOM 156 CA CYS A 10 -7.095 1.282 7.102 1.00 0.00 C ATOM 157 C CYS A 10 -8.302 2.200 7.284 1.00 0.00 C ATOM 158 O CYS A 10 -8.273 3.359 6.882 1.00 0.00 O ATOM 159 CB CYS A 10 -7.027 0.770 5.666 1.00 0.00 C ATOM 160 SG CYS A 10 -5.592 -0.277 5.341 1.00 0.00 S ATOM 0 H CYS A 10 -7.298 -0.745 7.591 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.199 1.865 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.934 0.207 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.007 1.621 4.986 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.628 -1.316 6.121 1.00 0.00 H new ATOM 166 N MET A 11 -9.351 1.685 7.918 1.00 0.00 N ATOM 167 CA MET A 11 -10.548 2.478 8.173 1.00 0.00 C ATOM 168 C MET A 11 -10.332 3.422 9.352 1.00 0.00 C ATOM 169 O MET A 11 -11.190 4.243 9.671 1.00 0.00 O ATOM 170 CB MET A 11 -11.757 1.574 8.436 1.00 0.00 C ATOM 171 CG MET A 11 -12.275 0.873 7.192 1.00 0.00 C ATOM 172 SD MET A 11 -12.817 2.038 5.926 1.00 0.00 S ATOM 173 CE MET A 11 -13.291 0.920 4.616 1.00 0.00 C ATOM 0 H MET A 11 -9.396 0.726 8.263 1.00 0.00 H new ATOM 0 HA MET A 11 -10.749 3.074 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.484 0.824 9.178 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.560 2.172 8.867 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.491 0.235 6.784 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.106 0.222 7.464 1.00 0.00 H new ATOM 0 HE1 MET A 11 -13.070 1.376 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.734 -0.012 4.713 1.00 0.00 H new ATOM 0 HE3 MET A 11 -14.359 0.713 4.683 1.00 0.00 H new ATOM 183 N ALA A 12 -9.185 3.288 10.006 1.00 0.00 N ATOM 184 CA ALA A 12 -8.812 4.190 11.082 1.00 0.00 C ATOM 185 C ALA A 12 -7.969 5.340 10.537 1.00 0.00 C ATOM 186 O ALA A 12 -7.709 6.323 11.233 1.00 0.00 O ATOM 187 CB ALA A 12 -8.057 3.433 12.169 1.00 0.00 C ATOM 0 H ALA A 12 -8.498 2.561 9.808 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.718 4.607 11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.784 4.121 12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.692 2.644 12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.155 2.992 11.746 1.00 0.00 H new ATOM 193 N LYS A 13 -7.558 5.215 9.280 1.00 0.00 N ATOM 194 CA LYS A 13 -6.760 6.242 8.626 1.00 0.00 C ATOM 195 C LYS A 13 -7.662 7.167 7.816 1.00 0.00 C ATOM 196 O LYS A 13 -8.397 6.711 6.939 1.00 0.00 O ATOM 197 CB LYS A 13 -5.714 5.608 7.704 1.00 0.00 C ATOM 198 CG LYS A 13 -4.780 4.619 8.389 1.00 0.00 C ATOM 199 CD LYS A 13 -3.867 5.289 9.410 1.00 0.00 C ATOM 200 CE LYS A 13 -2.866 4.293 9.981 1.00 0.00 C ATOM 201 NZ LYS A 13 -1.963 4.911 10.986 1.00 0.00 N ATOM 0 H LYS A 13 -7.766 4.408 8.692 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.246 6.819 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.228 5.097 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.116 6.401 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.371 3.850 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.172 4.118 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.335 6.116 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.466 5.712 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.404 3.464 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.270 3.875 9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.719 4.208 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.095 5.240 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.442 5.719 11.433 1.00 0.00 H new ATOM 215 N PRO A 14 -7.633 8.472 8.110 1.00 0.00 N ATOM 216 CA PRO A 14 -8.450 9.457 7.397 1.00 0.00 C ATOM 217 C PRO A 14 -8.105 9.532 5.909 1.00 0.00 C ATOM 218 O PRO A 14 -6.942 9.684 5.537 1.00 0.00 O ATOM 219 CB PRO A 14 -8.112 10.785 8.088 1.00 0.00 C ATOM 220 CG PRO A 14 -7.508 10.404 9.396 1.00 0.00 C ATOM 221 CD PRO A 14 -6.814 9.093 9.162 1.00 0.00 C ATOM 0 HA PRO A 14 -9.509 9.202 7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.416 11.374 7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.005 11.394 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.804 11.163 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.273 10.309 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.782 9.234 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.786 8.484 10.065 1.00 0.00 H new ATOM 229 N GLY A 15 -9.122 9.419 5.067 1.00 0.00 N ATOM 230 CA GLY A 15 -8.916 9.522 3.635 1.00 0.00 C ATOM 231 C GLY A 15 -8.858 8.172 2.946 1.00 0.00 C ATOM 232 O GLY A 15 -9.029 8.084 1.728 1.00 0.00 O ATOM 0 H GLY A 15 -10.089 9.257 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.722 10.112 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.988 10.061 3.445 1.00 0.00 H new ATOM 236 N ALA A 16 -8.621 7.122 3.723 1.00 0.00 N ATOM 237 CA ALA A 16 -8.505 5.777 3.177 1.00 0.00 C ATOM 238 C ALA A 16 -9.879 5.140 3.004 1.00 0.00 C ATOM 239 O ALA A 16 -10.628 4.979 3.968 1.00 0.00 O ATOM 240 CB ALA A 16 -7.628 4.918 4.073 1.00 0.00 C ATOM 0 H ALA A 16 -8.505 7.177 4.735 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.038 5.846 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.550 3.915 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.634 5.361 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.070 4.861 5.068 1.00 0.00 H new ATOM 246 N GLU A 17 -10.210 4.792 1.770 1.00 0.00 N ATOM 247 CA GLU A 17 -11.486 4.166 1.464 1.00 0.00 C ATOM 248 C GLU A 17 -11.272 2.935 0.591 1.00 0.00 C ATOM 249 O GLU A 17 -10.359 2.906 -0.237 1.00 0.00 O ATOM 250 CB GLU A 17 -12.404 5.173 0.759 1.00 0.00 C ATOM 251 CG GLU A 17 -13.789 4.637 0.426 1.00 0.00 C ATOM 252 CD GLU A 17 -14.541 4.144 1.646 1.00 0.00 C ATOM 253 OE1 GLU A 17 -15.123 4.978 2.366 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.563 2.916 1.879 1.00 0.00 O ATOM 0 H GLU A 17 -9.607 4.934 0.959 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.961 3.850 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.511 6.053 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.923 5.500 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.369 5.422 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.694 3.821 -0.290 1.00 0.00 H new ATOM 261 N GLN A 18 -12.106 1.923 0.787 1.00 0.00 N ATOM 262 CA GLN A 18 -12.018 0.697 0.004 1.00 0.00 C ATOM 263 C GLN A 18 -12.896 0.800 -1.232 1.00 0.00 C ATOM 264 O GLN A 18 -14.103 1.020 -1.134 1.00 0.00 O ATOM 265 CB GLN A 18 -12.449 -0.521 0.823 1.00 0.00 C ATOM 266 CG GLN A 18 -11.548 -0.843 2.004 1.00 0.00 C ATOM 267 CD GLN A 18 -12.007 -2.083 2.749 1.00 0.00 C ATOM 268 OE1 GLN A 18 -11.748 -2.132 4.045 1.00 0.00 O flip ATOM 269 NE2 GLN A 18 -12.598 -2.990 2.162 1.00 0.00 N flip ATOM 0 H GLN A 18 -12.852 1.926 1.482 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.976 0.569 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.462 -0.355 1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.487 -1.389 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.527 -0.989 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.531 0.005 2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.780 -2.916 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.906 -3.815 2.677 1.00 0.00 H new ATOM 278 N SER A 19 -12.290 0.643 -2.393 1.00 0.00 N ATOM 279 CA SER A 19 -13.029 0.700 -3.639 1.00 0.00 C ATOM 280 C SER A 19 -12.590 -0.414 -4.584 1.00 0.00 C ATOM 281 O SER A 19 -11.395 -0.716 -4.691 1.00 0.00 O ATOM 282 CB SER A 19 -12.846 2.073 -4.294 1.00 0.00 C ATOM 283 OG SER A 19 -11.475 2.437 -4.357 1.00 0.00 O ATOM 0 H SER A 19 -11.290 0.475 -2.499 1.00 0.00 H new ATOM 0 HA SER A 19 -14.087 0.554 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.267 2.057 -5.299 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.398 2.824 -3.729 1.00 0.00 H new ATOM 0 HG SER A 19 -11.374 3.234 -4.918 1.00 0.00 H new ATOM 289 N VAL A 20 -13.559 -1.047 -5.239 1.00 0.00 N ATOM 290 CA VAL A 20 -13.260 -2.058 -6.235 1.00 0.00 C ATOM 291 C VAL A 20 -12.926 -1.389 -7.568 1.00 0.00 C ATOM 292 O VAL A 20 -13.778 -0.786 -8.225 1.00 0.00 O ATOM 293 CB VAL A 20 -14.412 -3.085 -6.393 1.00 0.00 C ATOM 294 CG1 VAL A 20 -15.737 -2.401 -6.701 1.00 0.00 C ATOM 295 CG2 VAL A 20 -14.066 -4.124 -7.455 1.00 0.00 C ATOM 0 H VAL A 20 -14.554 -0.875 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.391 -2.621 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 20 -14.531 -3.600 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -16.519 -3.153 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.993 -1.721 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.649 -1.839 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.887 -4.835 -7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.904 -3.627 -8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.159 -4.654 -7.164 1.00 0.00 H new ATOM 305 N HIS A 21 -11.664 -1.459 -7.937 1.00 0.00 N ATOM 306 CA HIS A 21 -11.193 -0.825 -9.152 1.00 0.00 C ATOM 307 C HIS A 21 -11.046 -1.862 -10.253 1.00 0.00 C ATOM 308 O HIS A 21 -10.521 -2.951 -10.014 1.00 0.00 O ATOM 309 CB HIS A 21 -9.862 -0.117 -8.880 1.00 0.00 C ATOM 310 CG HIS A 21 -9.330 0.686 -10.030 1.00 0.00 C ATOM 311 ND1 HIS A 21 -7.982 0.847 -10.269 1.00 0.00 N ATOM 312 CD2 HIS A 21 -9.964 1.397 -10.993 1.00 0.00 C ATOM 313 CE1 HIS A 21 -7.812 1.619 -11.325 1.00 0.00 C ATOM 314 NE2 HIS A 21 -8.998 1.966 -11.784 1.00 0.00 N ATOM 0 H HIS A 21 -10.942 -1.951 -7.410 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.918 -0.081 -9.482 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.986 0.543 -8.021 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.119 -0.865 -8.603 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -7.232 0.433 -9.715 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.032 1.497 -11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.862 1.917 -11.743 1.00 0.00 H new ATOM 323 N ASN A 22 -11.550 -1.526 -11.442 1.00 0.00 N ATOM 324 CA ASN A 22 -11.435 -2.398 -12.610 1.00 0.00 C ATOM 325 C ASN A 22 -9.985 -2.803 -12.820 1.00 0.00 C ATOM 326 O ASN A 22 -9.132 -1.965 -13.121 1.00 0.00 O ATOM 327 CB ASN A 22 -11.973 -1.707 -13.866 1.00 0.00 C ATOM 328 CG ASN A 22 -13.466 -1.450 -13.796 1.00 0.00 C ATOM 329 OD1 ASN A 22 -13.908 -0.411 -13.305 1.00 0.00 O ATOM 330 ND2 ASN A 22 -14.253 -2.393 -14.289 1.00 0.00 N ATOM 0 H ASN A 22 -12.044 -0.652 -11.621 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.034 -3.291 -12.428 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.451 -0.760 -14.007 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.755 -2.324 -14.738 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.266 -2.273 -14.271 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.847 -3.240 -14.687 1.00 0.00 H new ATOM 337 N ASP A 23 -9.719 -4.090 -12.662 1.00 0.00 N ATOM 338 CA ASP A 23 -8.355 -4.605 -12.633 1.00 0.00 C ATOM 339 C ASP A 23 -8.391 -6.131 -12.728 1.00 0.00 C ATOM 340 O ASP A 23 -8.626 -6.687 -13.802 1.00 0.00 O ATOM 341 CB ASP A 23 -7.671 -4.138 -11.336 1.00 0.00 C ATOM 342 CG ASP A 23 -6.237 -4.602 -11.184 1.00 0.00 C ATOM 343 OD1 ASP A 23 -5.336 -3.994 -11.797 1.00 0.00 O ATOM 344 OD2 ASP A 23 -6.004 -5.559 -10.417 1.00 0.00 O ATOM 0 H ASP A 23 -10.437 -4.806 -12.551 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.783 -4.225 -13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.694 -3.049 -11.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.249 -4.498 -10.485 1.00 0.00 H new ATOM 349 N TRP A 24 -8.176 -6.798 -11.604 1.00 0.00 N ATOM 350 CA TRP A 24 -8.382 -8.236 -11.497 1.00 0.00 C ATOM 351 C TRP A 24 -9.493 -8.469 -10.484 1.00 0.00 C ATOM 352 O TRP A 24 -9.643 -9.562 -9.941 1.00 0.00 O ATOM 353 CB TRP A 24 -7.106 -8.951 -11.015 1.00 0.00 C ATOM 354 CG TRP A 24 -5.872 -8.705 -11.845 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.778 -8.035 -13.031 1.00 0.00 C ATOM 356 CD2 TRP A 24 -4.542 -9.142 -11.531 1.00 0.00 C ATOM 357 NE1 TRP A 24 -4.473 -8.017 -13.464 1.00 0.00 N ATOM 358 CE2 TRP A 24 -3.698 -8.696 -12.564 1.00 0.00 C ATOM 359 CE3 TRP A 24 -3.987 -9.867 -10.471 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -2.327 -8.947 -12.568 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -2.627 -10.118 -10.478 1.00 0.00 C ATOM 362 CH2 TRP A 24 -1.811 -9.661 -11.520 1.00 0.00 C ATOM 0 H TRP A 24 -7.854 -6.359 -10.741 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.642 -8.636 -12.477 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.901 -8.641 -9.990 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -7.299 -10.024 -10.991 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.609 -7.584 -13.554 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.137 -7.570 -14.317 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.609 -10.224 -9.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.695 -8.591 -13.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.187 -10.676 -9.665 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.753 -9.876 -11.497 1.00 0.00 H new ATOM 373 N LYS A 25 -10.289 -7.421 -10.281 1.00 0.00 N ATOM 374 CA LYS A 25 -11.177 -7.308 -9.127 1.00 0.00 C ATOM 375 C LYS A 25 -10.350 -7.392 -7.849 1.00 0.00 C ATOM 376 O LYS A 25 -10.199 -8.456 -7.248 1.00 0.00 O ATOM 377 CB LYS A 25 -12.301 -8.356 -9.113 1.00 0.00 C ATOM 378 CG LYS A 25 -13.217 -8.194 -7.907 1.00 0.00 C ATOM 379 CD LYS A 25 -14.344 -9.211 -7.870 1.00 0.00 C ATOM 380 CE LYS A 25 -15.133 -9.076 -6.574 1.00 0.00 C ATOM 381 NZ LYS A 25 -16.325 -9.960 -6.526 1.00 0.00 N ATOM 0 H LYS A 25 -10.336 -6.623 -10.915 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.675 -6.341 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.888 -8.271 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.865 -9.355 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.626 -8.283 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.642 -7.190 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.005 -9.063 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.937 -10.219 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.481 -9.309 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.451 -8.040 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.821 -9.825 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.965 -9.723 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.025 -10.952 -6.611 1.00 0.00 H new ATOM 395 N ALA A 26 -9.784 -6.262 -7.464 1.00 0.00 N ATOM 396 CA ALA A 26 -8.911 -6.201 -6.308 1.00 0.00 C ATOM 397 C ALA A 26 -9.277 -5.014 -5.434 1.00 0.00 C ATOM 398 O ALA A 26 -9.741 -3.985 -5.935 1.00 0.00 O ATOM 399 CB ALA A 26 -7.460 -6.108 -6.754 1.00 0.00 C ATOM 0 H ALA A 26 -9.915 -5.369 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.037 -7.111 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.812 -6.063 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.205 -6.985 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.321 -5.209 -7.355 1.00 0.00 H new ATOM 405 N THR A 27 -9.076 -5.154 -4.134 1.00 0.00 N ATOM 406 CA THR A 27 -9.395 -4.087 -3.210 1.00 0.00 C ATOM 407 C THR A 27 -8.286 -3.043 -3.222 1.00 0.00 C ATOM 408 O THR A 27 -7.140 -3.326 -2.867 1.00 0.00 O ATOM 409 CB THR A 27 -9.589 -4.626 -1.779 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.462 -5.764 -1.808 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.174 -3.555 -0.866 1.00 0.00 C ATOM 0 H THR A 27 -8.695 -5.994 -3.699 1.00 0.00 H new ATOM 0 HA THR A 27 -10.331 -3.630 -3.531 1.00 0.00 H new ATOM 0 HB THR A 27 -8.615 -4.917 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.583 -6.107 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.301 -3.962 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.499 -2.700 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.142 -3.236 -1.253 1.00 0.00 H new ATOM 419 N GLN A 28 -8.627 -1.842 -3.639 1.00 0.00 N ATOM 420 CA GLN A 28 -7.656 -0.775 -3.715 1.00 0.00 C ATOM 421 C GLN A 28 -8.052 0.353 -2.780 1.00 0.00 C ATOM 422 O GLN A 28 -9.094 0.991 -2.955 1.00 0.00 O ATOM 423 CB GLN A 28 -7.514 -0.293 -5.163 1.00 0.00 C ATOM 424 CG GLN A 28 -6.948 -1.368 -6.081 1.00 0.00 C ATOM 425 CD GLN A 28 -6.829 -0.933 -7.530 1.00 0.00 C ATOM 426 OE1 GLN A 28 -6.650 0.245 -7.831 1.00 0.00 O ATOM 427 NE2 GLN A 28 -6.927 -1.890 -8.441 1.00 0.00 N ATOM 0 H GLN A 28 -9.569 -1.582 -3.930 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.682 -1.145 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.489 0.022 -5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.865 0.582 -5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.963 -1.662 -5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.585 -2.251 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.076 -2.857 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.854 -1.660 -9.432 1.00 0.00 H new ATOM 436 N ILE A 29 -7.233 0.561 -1.763 1.00 0.00 N ATOM 437 CA ILE A 29 -7.491 1.580 -0.768 1.00 0.00 C ATOM 438 C ILE A 29 -6.785 2.863 -1.169 1.00 0.00 C ATOM 439 O ILE A 29 -5.554 2.957 -1.124 1.00 0.00 O ATOM 440 CB ILE A 29 -7.024 1.123 0.628 1.00 0.00 C ATOM 441 CG1 ILE A 29 -7.701 -0.201 0.990 1.00 0.00 C ATOM 442 CG2 ILE A 29 -7.337 2.186 1.670 1.00 0.00 C ATOM 443 CD1 ILE A 29 -7.199 -0.808 2.278 1.00 0.00 C ATOM 0 H ILE A 29 -6.376 0.030 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.565 1.757 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.944 0.975 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.776 -0.039 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.545 -0.912 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.000 1.846 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.823 3.112 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.412 2.363 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.725 -1.744 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.130 -1.003 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.380 -0.116 3.101 1.00 0.00 H new ATOM 455 N LYS A 30 -7.563 3.842 -1.585 1.00 0.00 N ATOM 456 CA LYS A 30 -7.002 5.049 -2.150 1.00 0.00 C ATOM 457 C LYS A 30 -7.650 6.292 -1.567 1.00 0.00 C ATOM 458 O LYS A 30 -8.787 6.254 -1.093 1.00 0.00 O ATOM 459 CB LYS A 30 -7.145 5.026 -3.686 1.00 0.00 C ATOM 460 CG LYS A 30 -8.574 4.823 -4.195 1.00 0.00 C ATOM 461 CD LYS A 30 -9.341 6.135 -4.294 1.00 0.00 C ATOM 462 CE LYS A 30 -10.763 5.934 -4.791 1.00 0.00 C ATOM 463 NZ LYS A 30 -11.490 7.227 -4.913 1.00 0.00 N ATOM 0 H LYS A 30 -8.582 3.824 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.943 5.085 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.762 5.964 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.516 4.229 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.545 4.346 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.103 4.144 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.365 6.615 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.815 6.811 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.743 5.435 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.299 5.278 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.456 7.051 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.530 7.692 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.992 7.843 -5.586 1.00 0.00 H new ATOM 477 N VAL A 31 -6.898 7.379 -1.589 1.00 0.00 N ATOM 478 CA VAL A 31 -7.426 8.692 -1.283 1.00 0.00 C ATOM 479 C VAL A 31 -7.998 9.239 -2.586 1.00 0.00 C ATOM 480 O VAL A 31 -7.832 8.590 -3.613 1.00 0.00 O ATOM 481 CB VAL A 31 -6.315 9.625 -0.728 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.893 10.881 -0.087 1.00 0.00 C ATOM 483 CG2 VAL A 31 -5.445 8.878 0.271 1.00 0.00 C ATOM 0 H VAL A 31 -5.904 7.373 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.193 8.635 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.702 9.939 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.081 11.505 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.466 11.438 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.546 10.600 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.671 9.546 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.061 8.528 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.978 8.024 -0.220 1.00 0.00 H new ATOM 493 N GLU A 32 -8.648 10.404 -2.545 1.00 0.00 N ATOM 494 CA GLU A 32 -9.314 11.017 -3.715 1.00 0.00 C ATOM 495 C GLU A 32 -8.700 10.608 -5.064 1.00 0.00 C ATOM 496 O GLU A 32 -9.412 10.150 -5.958 1.00 0.00 O ATOM 497 CB GLU A 32 -9.289 12.539 -3.576 1.00 0.00 C ATOM 498 CG GLU A 32 -9.946 13.039 -2.300 1.00 0.00 C ATOM 499 CD GLU A 32 -11.403 12.633 -2.192 1.00 0.00 C ATOM 500 OE1 GLU A 32 -11.683 11.543 -1.643 1.00 0.00 O ATOM 501 OE2 GLU A 32 -12.272 13.405 -2.653 1.00 0.00 O ATOM 0 H GLU A 32 -8.732 10.960 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.338 10.644 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.255 12.882 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.794 12.983 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.401 12.651 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.872 14.126 -2.260 1.00 0.00 H new ATOM 508 N ASP A 33 -7.388 10.765 -5.207 1.00 0.00 N ATOM 509 CA ASP A 33 -6.706 10.349 -6.431 1.00 0.00 C ATOM 510 C ASP A 33 -5.420 9.582 -6.107 1.00 0.00 C ATOM 511 O ASP A 33 -4.681 9.167 -7.000 1.00 0.00 O ATOM 512 CB ASP A 33 -6.389 11.574 -7.297 1.00 0.00 C ATOM 513 CG ASP A 33 -5.744 11.206 -8.621 1.00 0.00 C ATOM 514 OD1 ASP A 33 -6.453 10.690 -9.510 1.00 0.00 O ATOM 515 OD2 ASP A 33 -4.523 11.425 -8.770 1.00 0.00 O ATOM 0 H ASP A 33 -6.779 11.173 -4.498 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.368 9.683 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.309 12.127 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.725 12.240 -6.747 1.00 0.00 H new ATOM 520 N VAL A 34 -5.170 9.355 -4.828 1.00 0.00 N ATOM 521 CA VAL A 34 -3.892 8.806 -4.402 1.00 0.00 C ATOM 522 C VAL A 34 -4.027 7.361 -3.930 1.00 0.00 C ATOM 523 O VAL A 34 -4.472 7.097 -2.813 1.00 0.00 O ATOM 524 CB VAL A 34 -3.260 9.657 -3.280 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.901 9.102 -2.882 1.00 0.00 C ATOM 526 CG2 VAL A 34 -3.135 11.108 -3.721 1.00 0.00 C ATOM 0 H VAL A 34 -5.829 9.540 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.238 8.827 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.913 9.614 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.474 9.717 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.016 8.079 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.237 9.111 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.688 11.695 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.504 11.166 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.124 11.504 -3.953 1.00 0.00 H new ATOM 536 N LEU A 35 -3.653 6.432 -4.796 1.00 0.00 N ATOM 537 CA LEU A 35 -3.635 5.018 -4.453 1.00 0.00 C ATOM 538 C LEU A 35 -2.290 4.665 -3.834 1.00 0.00 C ATOM 539 O LEU A 35 -1.287 4.540 -4.538 1.00 0.00 O ATOM 540 CB LEU A 35 -3.886 4.163 -5.698 1.00 0.00 C ATOM 541 CG LEU A 35 -3.818 2.652 -5.479 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.893 2.196 -4.507 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.952 1.926 -6.803 1.00 0.00 C ATOM 0 H LEU A 35 -3.355 6.635 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.428 4.815 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.870 4.412 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.155 4.436 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.848 2.410 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.824 1.117 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.752 2.695 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.875 2.448 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.902 0.850 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.909 2.178 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.142 2.227 -7.467 1.00 0.00 H new ATOM 555 N PHE A 36 -2.262 4.541 -2.516 1.00 0.00 N ATOM 556 CA PHE A 36 -1.010 4.296 -1.810 1.00 0.00 C ATOM 557 C PHE A 36 -0.858 2.823 -1.433 1.00 0.00 C ATOM 558 O PHE A 36 0.251 2.359 -1.153 1.00 0.00 O ATOM 559 CB PHE A 36 -0.911 5.188 -0.563 1.00 0.00 C ATOM 560 CG PHE A 36 -1.937 4.896 0.499 1.00 0.00 C ATOM 561 CD1 PHE A 36 -3.216 5.425 0.418 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.617 4.097 1.587 1.00 0.00 C ATOM 563 CE1 PHE A 36 -4.153 5.163 1.397 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.552 3.831 2.568 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.821 4.365 2.472 1.00 0.00 C ATOM 0 H PHE A 36 -3.084 4.605 -1.916 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.193 4.549 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.083 5.076 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.010 6.230 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.482 6.050 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.625 3.678 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.145 5.582 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.291 3.206 3.409 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.554 4.158 3.238 1.00 0.00 H new ATOM 575 N ALA A 37 -1.966 2.090 -1.431 1.00 0.00 N ATOM 576 CA ALA A 37 -1.942 0.678 -1.073 1.00 0.00 C ATOM 577 C ALA A 37 -3.022 -0.095 -1.814 1.00 0.00 C ATOM 578 O ALA A 37 -4.217 0.169 -1.663 1.00 0.00 O ATOM 579 CB ALA A 37 -2.109 0.509 0.429 1.00 0.00 C ATOM 0 H ALA A 37 -2.889 2.450 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.974 0.273 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.089 -0.551 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.296 1.020 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.062 0.937 0.740 1.00 0.00 H new ATOM 585 N MET A 38 -2.598 -1.051 -2.617 1.00 0.00 N ATOM 586 CA MET A 38 -3.525 -1.891 -3.354 1.00 0.00 C ATOM 587 C MET A 38 -3.188 -3.359 -3.130 1.00 0.00 C ATOM 588 O MET A 38 -2.025 -3.761 -3.219 1.00 0.00 O ATOM 589 CB MET A 38 -3.494 -1.547 -4.852 1.00 0.00 C ATOM 590 CG MET A 38 -2.148 -1.789 -5.521 1.00 0.00 C ATOM 591 SD MET A 38 -2.122 -1.278 -7.252 1.00 0.00 S ATOM 592 CE MET A 38 -3.452 -2.266 -7.936 1.00 0.00 C ATOM 0 H MET A 38 -1.614 -1.267 -2.777 1.00 0.00 H new ATOM 0 HA MET A 38 -4.535 -1.705 -2.987 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.253 -2.138 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.767 -0.499 -4.978 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.375 -1.248 -4.976 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.901 -2.849 -5.456 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.136 -2.693 -8.888 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.702 -3.070 -7.243 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.328 -1.637 -8.093 1.00 0.00 H new ATOM 602 N VAL A 39 -4.198 -4.155 -2.815 1.00 0.00 N ATOM 603 CA VAL A 39 -3.993 -5.576 -2.602 1.00 0.00 C ATOM 604 C VAL A 39 -4.510 -6.366 -3.799 1.00 0.00 C ATOM 605 O VAL A 39 -5.641 -6.181 -4.247 1.00 0.00 O ATOM 606 CB VAL A 39 -4.657 -6.074 -1.290 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.166 -5.890 -1.319 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.304 -7.528 -1.026 1.00 0.00 C ATOM 0 H VAL A 39 -5.162 -3.842 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.921 -5.741 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.265 -5.466 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.594 -6.250 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.401 -4.833 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.585 -6.455 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.780 -7.856 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.656 -8.144 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.223 -7.629 -0.933 1.00 0.00 H new ATOM 618 N LYS A 40 -3.658 -7.220 -4.335 1.00 0.00 N ATOM 619 CA LYS A 40 -4.005 -8.030 -5.490 1.00 0.00 C ATOM 620 C LYS A 40 -3.728 -9.493 -5.191 1.00 0.00 C ATOM 621 O LYS A 40 -2.573 -9.893 -5.045 1.00 0.00 O ATOM 622 CB LYS A 40 -3.197 -7.594 -6.715 1.00 0.00 C ATOM 623 CG LYS A 40 -3.491 -6.176 -7.180 1.00 0.00 C ATOM 624 CD LYS A 40 -2.462 -5.707 -8.198 1.00 0.00 C ATOM 625 CE LYS A 40 -2.492 -6.548 -9.466 1.00 0.00 C ATOM 626 NZ LYS A 40 -3.513 -6.080 -10.444 1.00 0.00 N ATOM 0 H LYS A 40 -2.712 -7.372 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.065 -7.895 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.135 -7.676 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.400 -8.283 -7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.487 -6.134 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.492 -5.502 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.651 -4.664 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.467 -5.753 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.508 -6.525 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.696 -7.586 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.696 -6.830 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.395 -5.851 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.162 -5.231 -10.932 1.00 0.00 H new ATOM 640 N GLU A 41 -4.784 -10.282 -5.074 1.00 0.00 N ATOM 641 CA GLU A 41 -4.624 -11.701 -4.813 1.00 0.00 C ATOM 642 C GLU A 41 -4.254 -12.419 -6.103 1.00 0.00 C ATOM 643 O GLU A 41 -5.059 -12.511 -7.033 1.00 0.00 O ATOM 644 CB GLU A 41 -5.905 -12.296 -4.222 1.00 0.00 C ATOM 645 CG GLU A 41 -5.726 -13.708 -3.689 1.00 0.00 C ATOM 646 CD GLU A 41 -7.023 -14.323 -3.214 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.587 -13.832 -2.214 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.483 -15.300 -3.841 1.00 0.00 O ATOM 0 H GLU A 41 -5.751 -9.967 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.824 -11.834 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.257 -11.653 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.681 -12.300 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.297 -14.335 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.013 -13.693 -2.865 1.00 0.00 H new ATOM 655 N VAL A 42 -3.032 -12.918 -6.162 1.00 0.00 N ATOM 656 CA VAL A 42 -2.545 -13.597 -7.349 1.00 0.00 C ATOM 657 C VAL A 42 -2.414 -15.096 -7.093 1.00 0.00 C ATOM 658 O VAL A 42 -1.593 -15.533 -6.284 1.00 0.00 O ATOM 659 CB VAL A 42 -1.202 -12.997 -7.836 1.00 0.00 C ATOM 660 CG1 VAL A 42 -0.179 -12.941 -6.711 1.00 0.00 C ATOM 661 CG2 VAL A 42 -0.655 -13.787 -9.016 1.00 0.00 C ATOM 0 H VAL A 42 -2.357 -12.865 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.276 -13.446 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.396 -11.975 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.752 -12.515 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.562 -12.320 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.007 -13.948 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.288 -13.348 -9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.489 -14.822 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.371 -13.758 -9.837 1.00 0.00 H new ATOM 671 N GLU A 43 -3.276 -15.868 -7.750 1.00 0.00 N ATOM 672 CA GLU A 43 -3.290 -17.320 -7.623 1.00 0.00 C ATOM 673 C GLU A 43 -3.587 -17.708 -6.172 1.00 0.00 C ATOM 674 O GLU A 43 -3.052 -18.686 -5.644 1.00 0.00 O ATOM 675 CB GLU A 43 -1.959 -17.910 -8.111 1.00 0.00 C ATOM 676 CG GLU A 43 -2.049 -19.378 -8.487 1.00 0.00 C ATOM 677 CD GLU A 43 -0.871 -19.831 -9.320 1.00 0.00 C ATOM 678 OE1 GLU A 43 -0.872 -19.570 -10.543 1.00 0.00 O ATOM 679 OE2 GLU A 43 0.052 -20.461 -8.762 1.00 0.00 O ATOM 0 H GLU A 43 -3.985 -15.502 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.079 -17.734 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.614 -17.342 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.209 -17.789 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.103 -19.980 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.971 -19.553 -9.041 1.00 0.00 H new ATOM 686 N ASN A 44 -4.466 -16.911 -5.553 1.00 0.00 N ATOM 687 CA ASN A 44 -4.920 -17.109 -4.169 1.00 0.00 C ATOM 688 C ASN A 44 -3.827 -16.731 -3.163 1.00 0.00 C ATOM 689 O ASN A 44 -3.924 -17.040 -1.972 1.00 0.00 O ATOM 690 CB ASN A 44 -5.402 -18.552 -3.942 1.00 0.00 C ATOM 691 CG ASN A 44 -6.258 -18.713 -2.693 1.00 0.00 C ATOM 692 OD1 ASN A 44 -6.218 -19.754 -2.033 1.00 0.00 O ATOM 693 ND2 ASN A 44 -7.068 -17.711 -2.380 1.00 0.00 N ATOM 0 H ASN A 44 -4.888 -16.099 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.767 -16.443 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.975 -18.877 -4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.536 -19.209 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.684 -17.787 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.075 -16.864 -2.948 1.00 0.00 H new ATOM 700 N ARG A 45 -2.797 -16.043 -3.639 1.00 0.00 N ATOM 701 CA ARG A 45 -1.759 -15.514 -2.760 1.00 0.00 C ATOM 702 C ARG A 45 -1.952 -14.020 -2.544 1.00 0.00 C ATOM 703 O ARG A 45 -2.058 -13.257 -3.508 1.00 0.00 O ATOM 704 CB ARG A 45 -0.362 -15.768 -3.331 1.00 0.00 C ATOM 705 CG ARG A 45 0.047 -17.227 -3.327 1.00 0.00 C ATOM 706 CD ARG A 45 1.492 -17.390 -3.770 1.00 0.00 C ATOM 707 NE ARG A 45 1.935 -18.779 -3.712 1.00 0.00 N ATOM 708 CZ ARG A 45 3.042 -19.182 -3.080 1.00 0.00 C ATOM 709 NH1 ARG A 45 3.799 -18.302 -2.430 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.390 -20.462 -3.104 1.00 0.00 N ATOM 0 H ARG A 45 -2.657 -15.838 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.845 -16.033 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.325 -15.393 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.365 -15.195 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.079 -17.641 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.606 -17.793 -3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.602 -17.018 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.135 -16.779 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 45 1.367 -19.484 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.535 -17.317 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.643 -18.613 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.813 -21.138 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.235 -20.770 -2.622 1.00 0.00 H new ATOM 724 N PRO A 46 -2.006 -13.584 -1.279 1.00 0.00 N ATOM 725 CA PRO A 46 -2.162 -12.169 -0.941 1.00 0.00 C ATOM 726 C PRO A 46 -0.893 -11.364 -1.222 1.00 0.00 C ATOM 727 O PRO A 46 0.130 -11.536 -0.557 1.00 0.00 O ATOM 728 CB PRO A 46 -2.467 -12.189 0.559 1.00 0.00 C ATOM 729 CG PRO A 46 -1.859 -13.454 1.059 1.00 0.00 C ATOM 730 CD PRO A 46 -1.927 -14.438 -0.079 1.00 0.00 C ATOM 0 HA PRO A 46 -2.939 -11.691 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.040 -11.321 1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.541 -12.167 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.827 -13.292 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.400 -13.828 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.048 -15.082 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.797 -15.089 0.007 1.00 0.00 H new ATOM 738 N ALA A 47 -0.963 -10.498 -2.221 1.00 0.00 N ATOM 739 CA ALA A 47 0.162 -9.652 -2.577 1.00 0.00 C ATOM 740 C ALA A 47 -0.239 -8.184 -2.507 1.00 0.00 C ATOM 741 O ALA A 47 -1.312 -7.801 -2.977 1.00 0.00 O ATOM 742 CB ALA A 47 0.667 -10.004 -3.969 1.00 0.00 C ATOM 0 H ALA A 47 -1.791 -10.363 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 47 0.969 -9.823 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.510 -9.362 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.986 -11.046 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.133 -9.856 -4.694 1.00 0.00 H new ATOM 748 N VAL A 48 0.616 -7.370 -1.913 1.00 0.00 N ATOM 749 CA VAL A 48 0.341 -5.948 -1.766 1.00 0.00 C ATOM 750 C VAL A 48 1.370 -5.124 -2.537 1.00 0.00 C ATOM 751 O VAL A 48 2.560 -5.445 -2.541 1.00 0.00 O ATOM 752 CB VAL A 48 0.323 -5.528 -0.274 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.665 -5.807 0.393 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.063 -4.059 -0.121 1.00 0.00 C ATOM 0 H VAL A 48 1.510 -7.669 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.648 -5.755 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.434 -6.130 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.622 -5.502 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.886 -6.873 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.448 -5.246 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.068 -3.792 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.659 -3.436 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.056 -3.898 -0.540 1.00 0.00 H new ATOM 764 N SER A 49 0.908 -4.083 -3.208 1.00 0.00 N ATOM 765 CA SER A 49 1.790 -3.241 -3.996 1.00 0.00 C ATOM 766 C SER A 49 1.743 -1.803 -3.486 1.00 0.00 C ATOM 767 O SER A 49 0.665 -1.248 -3.251 1.00 0.00 O ATOM 768 CB SER A 49 1.394 -3.306 -5.474 1.00 0.00 C ATOM 769 OG SER A 49 2.384 -2.719 -6.303 1.00 0.00 O ATOM 0 H SER A 49 -0.072 -3.801 -3.223 1.00 0.00 H new ATOM 0 HA SER A 49 2.812 -3.605 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.243 -4.345 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.444 -2.792 -5.620 1.00 0.00 H new ATOM 0 HG SER A 49 2.086 -1.830 -6.589 1.00 0.00 H new ATOM 775 N LEU A 50 2.922 -1.219 -3.297 1.00 0.00 N ATOM 776 CA LEU A 50 3.046 0.152 -2.805 1.00 0.00 C ATOM 777 C LEU A 50 3.639 1.052 -3.882 1.00 0.00 C ATOM 778 O LEU A 50 4.067 0.579 -4.937 1.00 0.00 O ATOM 779 CB LEU A 50 3.960 0.222 -1.568 1.00 0.00 C ATOM 780 CG LEU A 50 3.388 -0.282 -0.238 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.104 -1.776 -0.276 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.346 0.042 0.896 1.00 0.00 C ATOM 0 H LEU A 50 3.815 -1.678 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 50 2.044 0.488 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.863 -0.349 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.264 1.260 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 50 2.440 0.229 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.700 -2.094 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.380 -1.989 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.028 -2.317 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.932 -0.320 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.305 -0.442 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.490 1.121 0.954 1.00 0.00 H new ATOM 794 N LYS A 51 3.663 2.352 -3.605 1.00 0.00 N ATOM 795 CA LYS A 51 4.375 3.299 -4.451 1.00 0.00 C ATOM 796 C LYS A 51 5.872 3.152 -4.210 1.00 0.00 C ATOM 797 O LYS A 51 6.287 2.519 -3.235 1.00 0.00 O ATOM 798 CB LYS A 51 3.956 4.740 -4.132 1.00 0.00 C ATOM 799 CG LYS A 51 2.500 5.064 -4.433 1.00 0.00 C ATOM 800 CD LYS A 51 2.152 6.475 -3.977 1.00 0.00 C ATOM 801 CE LYS A 51 0.695 6.820 -4.239 1.00 0.00 C ATOM 802 NZ LYS A 51 0.409 7.001 -5.687 1.00 0.00 N ATOM 0 H LYS A 51 3.197 2.772 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 51 4.133 3.088 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.145 4.933 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.590 5.422 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.315 4.967 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.852 4.345 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.361 6.573 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.792 7.190 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.060 6.029 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.438 7.734 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.592 7.252 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.007 7.762 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.612 6.116 -6.194 1.00 0.00 H new ATOM 816 N THR A 52 6.681 3.743 -5.075 1.00 0.00 N ATOM 817 CA THR A 52 8.121 3.729 -4.886 1.00 0.00 C ATOM 818 C THR A 52 8.489 4.555 -3.655 1.00 0.00 C ATOM 819 O THR A 52 8.565 5.780 -3.712 1.00 0.00 O ATOM 820 CB THR A 52 8.847 4.272 -6.132 1.00 0.00 C ATOM 821 OG1 THR A 52 8.350 3.607 -7.303 1.00 0.00 O ATOM 822 CG2 THR A 52 10.349 4.057 -6.027 1.00 0.00 C ATOM 0 H THR A 52 6.366 4.236 -5.911 1.00 0.00 H new ATOM 0 HA THR A 52 8.440 2.698 -4.734 1.00 0.00 H new ATOM 0 HB THR A 52 8.657 5.343 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.761 2.871 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.836 4.450 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.730 4.576 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.559 2.991 -5.938 1.00 0.00 H new ATOM 830 N SER A 53 8.677 3.873 -2.535 1.00 0.00 N ATOM 831 CA SER A 53 8.905 4.538 -1.262 1.00 0.00 C ATOM 832 C SER A 53 10.290 4.208 -0.716 1.00 0.00 C ATOM 833 O SER A 53 10.830 3.135 -0.995 1.00 0.00 O ATOM 834 CB SER A 53 7.835 4.102 -0.261 1.00 0.00 C ATOM 835 OG SER A 53 6.541 4.197 -0.830 1.00 0.00 O ATOM 0 H SER A 53 8.676 2.854 -2.483 1.00 0.00 H new ATOM 0 HA SER A 53 8.847 5.615 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.023 3.076 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.891 4.725 0.631 1.00 0.00 H new ATOM 0 HG SER A 53 6.259 5.135 -0.845 1.00 0.00 H new ATOM 841 N PRO A 54 10.883 5.128 0.068 1.00 0.00 N ATOM 842 CA PRO A 54 12.191 4.908 0.699 1.00 0.00 C ATOM 843 C PRO A 54 12.197 3.665 1.587 1.00 0.00 C ATOM 844 O PRO A 54 13.184 2.934 1.639 1.00 0.00 O ATOM 845 CB PRO A 54 12.410 6.172 1.540 1.00 0.00 C ATOM 846 CG PRO A 54 11.529 7.202 0.922 1.00 0.00 C ATOM 847 CD PRO A 54 10.337 6.461 0.389 1.00 0.00 C ATOM 0 HA PRO A 54 12.975 4.739 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.147 6.002 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.455 6.483 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.228 7.949 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.048 7.731 0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.537 6.401 1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.921 6.949 -0.493 1.00 0.00 H new ATOM 855 N GLU A 55 11.086 3.432 2.271 1.00 0.00 N ATOM 856 CA GLU A 55 10.935 2.263 3.129 1.00 0.00 C ATOM 857 C GLU A 55 10.990 0.978 2.308 1.00 0.00 C ATOM 858 O GLU A 55 11.633 0.009 2.703 1.00 0.00 O ATOM 859 CB GLU A 55 9.621 2.334 3.915 1.00 0.00 C ATOM 860 CG GLU A 55 9.603 3.402 5.002 1.00 0.00 C ATOM 861 CD GLU A 55 9.799 4.809 4.470 1.00 0.00 C ATOM 862 OE1 GLU A 55 9.205 5.143 3.423 1.00 0.00 O ATOM 863 OE2 GLU A 55 10.551 5.584 5.100 1.00 0.00 O ATOM 0 H GLU A 55 10.269 4.042 2.248 1.00 0.00 H new ATOM 0 HA GLU A 55 11.763 2.256 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.804 2.525 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.430 1.363 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.653 3.352 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.386 3.184 5.728 1.00 0.00 H new ATOM 870 N LEU A 56 10.321 0.972 1.159 1.00 0.00 N ATOM 871 CA LEU A 56 10.391 -0.169 0.253 1.00 0.00 C ATOM 872 C LEU A 56 11.812 -0.334 -0.269 1.00 0.00 C ATOM 873 O LEU A 56 12.296 -1.453 -0.443 1.00 0.00 O ATOM 874 CB LEU A 56 9.425 -0.010 -0.927 1.00 0.00 C ATOM 875 CG LEU A 56 7.961 -0.379 -0.661 1.00 0.00 C ATOM 876 CD1 LEU A 56 7.193 -0.409 -1.972 1.00 0.00 C ATOM 877 CD2 LEU A 56 7.865 -1.726 0.041 1.00 0.00 C ATOM 0 H LEU A 56 9.729 1.737 0.835 1.00 0.00 H new ATOM 0 HA LEU A 56 10.100 -1.057 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.461 1.027 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.788 -0.624 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 56 7.522 0.375 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.153 -0.672 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.238 0.573 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.637 -1.150 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.818 -1.969 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.314 -2.496 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.395 -1.679 0.992 1.00 0.00 H new ATOM 889 N ALA A 57 12.478 0.792 -0.507 1.00 0.00 N ATOM 890 CA ALA A 57 13.857 0.788 -0.968 1.00 0.00 C ATOM 891 C ALA A 57 14.773 0.141 0.062 1.00 0.00 C ATOM 892 O ALA A 57 15.727 -0.544 -0.297 1.00 0.00 O ATOM 893 CB ALA A 57 14.314 2.204 -1.277 1.00 0.00 C ATOM 0 H ALA A 57 12.079 1.723 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 57 13.910 0.198 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.348 2.186 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.680 2.629 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.242 2.814 -0.377 1.00 0.00 H new ATOM 899 N GLU A 58 14.471 0.351 1.343 1.00 0.00 N ATOM 900 CA GLU A 58 15.236 -0.253 2.426 1.00 0.00 C ATOM 901 C GLU A 58 15.274 -1.770 2.271 1.00 0.00 C ATOM 902 O GLU A 58 16.347 -2.379 2.246 1.00 0.00 O ATOM 903 CB GLU A 58 14.624 0.104 3.784 1.00 0.00 C ATOM 904 CG GLU A 58 14.615 1.591 4.098 1.00 0.00 C ATOM 905 CD GLU A 58 14.209 1.882 5.531 1.00 0.00 C ATOM 906 OE1 GLU A 58 15.080 1.783 6.422 1.00 0.00 O ATOM 907 OE2 GLU A 58 13.028 2.211 5.773 1.00 0.00 O ATOM 0 H GLU A 58 13.697 0.938 1.654 1.00 0.00 H new ATOM 0 HA GLU A 58 16.252 0.139 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.600 -0.268 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.177 -0.417 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.607 2.003 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.929 2.098 3.420 1.00 0.00 H new ATOM 914 N LEU A 59 14.092 -2.368 2.163 1.00 0.00 N ATOM 915 CA LEU A 59 13.958 -3.812 1.987 1.00 0.00 C ATOM 916 C LEU A 59 14.731 -4.281 0.758 1.00 0.00 C ATOM 917 O LEU A 59 15.394 -5.320 0.788 1.00 0.00 O ATOM 918 CB LEU A 59 12.481 -4.206 1.850 1.00 0.00 C ATOM 919 CG LEU A 59 11.681 -4.301 3.160 1.00 0.00 C ATOM 920 CD1 LEU A 59 11.614 -2.960 3.874 1.00 0.00 C ATOM 921 CD2 LEU A 59 10.281 -4.818 2.882 1.00 0.00 C ATOM 0 H LEU A 59 13.203 -1.869 2.195 1.00 0.00 H new ATOM 0 HA LEU A 59 14.373 -4.296 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.991 -3.480 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.429 -5.171 1.346 1.00 0.00 H new ATOM 0 HG LEU A 59 12.199 -5.001 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.041 -3.066 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.623 -2.623 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.130 -2.228 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.724 -4.881 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.770 -4.137 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.342 -5.807 2.429 1.00 0.00 H new ATOM 933 N LEU A 60 14.661 -3.491 -0.306 1.00 0.00 N ATOM 934 CA LEU A 60 15.325 -3.824 -1.561 1.00 0.00 C ATOM 935 C LEU A 60 16.848 -3.752 -1.427 1.00 0.00 C ATOM 936 O LEU A 60 17.571 -4.509 -2.076 1.00 0.00 O ATOM 937 CB LEU A 60 14.848 -2.883 -2.674 1.00 0.00 C ATOM 938 CG LEU A 60 15.400 -3.181 -4.072 1.00 0.00 C ATOM 939 CD1 LEU A 60 14.933 -4.549 -4.554 1.00 0.00 C ATOM 940 CD2 LEU A 60 14.972 -2.096 -5.049 1.00 0.00 C ATOM 0 H LEU A 60 14.148 -2.610 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 60 15.061 -4.850 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.760 -2.921 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.121 -1.863 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 60 16.489 -3.192 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.336 -4.741 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.285 -5.317 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.844 -4.568 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.371 -2.320 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.884 -2.058 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 60 15.355 -1.132 -4.713 1.00 0.00 H new ATOM 952 N ARG A 61 17.336 -2.854 -0.575 1.00 0.00 N ATOM 953 CA ARG A 61 18.774 -2.686 -0.395 1.00 0.00 C ATOM 954 C ARG A 61 19.352 -3.835 0.420 1.00 0.00 C ATOM 955 O ARG A 61 20.486 -4.259 0.203 1.00 0.00 O ATOM 956 CB ARG A 61 19.090 -1.356 0.298 1.00 0.00 C ATOM 957 CG ARG A 61 18.753 -0.124 -0.526 1.00 0.00 C ATOM 958 CD ARG A 61 19.533 -0.084 -1.830 1.00 0.00 C ATOM 959 NE ARG A 61 19.312 1.166 -2.553 1.00 0.00 N ATOM 960 CZ ARG A 61 19.925 1.497 -3.685 1.00 0.00 C ATOM 961 NH1 ARG A 61 20.765 0.654 -4.273 1.00 0.00 N ATOM 962 NH2 ARG A 61 19.683 2.675 -4.239 1.00 0.00 N ATOM 0 H ARG A 61 16.761 -2.236 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 61 19.232 -2.684 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.541 -1.311 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.151 -1.333 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 61 17.685 -0.112 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 61 18.971 0.772 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 61 20.597 -0.201 -1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 61 19.237 -0.925 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 61 18.642 1.829 -2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.946 -0.259 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.229 0.919 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.030 3.322 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.150 2.936 -5.108 1.00 0.00 H new ATOM 976 N GLN A 62 18.564 -4.336 1.357 1.00 0.00 N ATOM 977 CA GLN A 62 19.012 -5.407 2.234 1.00 0.00 C ATOM 978 C GLN A 62 18.771 -6.776 1.611 1.00 0.00 C ATOM 979 O GLN A 62 19.549 -7.709 1.826 1.00 0.00 O ATOM 980 CB GLN A 62 18.316 -5.301 3.582 1.00 0.00 C ATOM 981 CG GLN A 62 18.796 -4.108 4.378 1.00 0.00 C ATOM 982 CD GLN A 62 17.773 -3.637 5.373 1.00 0.00 C ATOM 983 OE1 GLN A 62 17.757 -4.063 6.527 1.00 0.00 O ATOM 984 NE2 GLN A 62 16.906 -2.759 4.921 1.00 0.00 N ATOM 0 H GLN A 62 17.610 -4.019 1.531 1.00 0.00 H new ATOM 0 HA GLN A 62 20.087 -5.299 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.240 -5.225 3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.493 -6.212 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.715 -4.370 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.039 -3.293 3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.963 -2.437 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.177 -2.399 5.536 1.00 0.00 H new ATOM 993 N GLN A 63 17.687 -6.883 0.837 1.00 0.00 N ATOM 994 CA GLN A 63 17.279 -8.144 0.211 1.00 0.00 C ATOM 995 C GLN A 63 16.954 -9.195 1.268 1.00 0.00 C ATOM 996 O GLN A 63 17.015 -10.396 1.010 1.00 0.00 O ATOM 997 CB GLN A 63 18.358 -8.671 -0.740 1.00 0.00 C ATOM 998 CG GLN A 63 18.630 -7.757 -1.923 1.00 0.00 C ATOM 999 CD GLN A 63 19.577 -8.383 -2.927 1.00 0.00 C ATOM 1000 OE1 GLN A 63 20.794 -8.238 -2.826 1.00 0.00 O ATOM 1001 NE2 GLN A 63 19.026 -9.078 -3.908 1.00 0.00 N ATOM 0 H GLN A 63 17.069 -6.099 0.627 1.00 0.00 H new ATOM 0 HA GLN A 63 16.380 -7.942 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.283 -8.813 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.056 -9.650 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 63 17.689 -7.515 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 63 19.052 -6.818 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.012 -9.175 -3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.615 -9.517 -4.616 1.00 0.00 H new ATOM 1010 N HIS A 64 16.590 -8.728 2.453 1.00 0.00 N ATOM 1011 CA HIS A 64 16.261 -9.612 3.563 1.00 0.00 C ATOM 1012 C HIS A 64 14.742 -9.711 3.704 1.00 0.00 C ATOM 1013 O HIS A 64 14.213 -10.090 4.748 1.00 0.00 O ATOM 1014 CB HIS A 64 16.897 -9.079 4.853 1.00 0.00 C ATOM 1015 CG HIS A 64 16.825 -10.030 6.013 1.00 0.00 C ATOM 1016 ND1 HIS A 64 17.443 -11.261 6.018 1.00 0.00 N ATOM 1017 CD2 HIS A 64 16.197 -9.925 7.208 1.00 0.00 C ATOM 1018 CE1 HIS A 64 17.196 -11.869 7.159 1.00 0.00 C ATOM 1019 NE2 HIS A 64 16.445 -11.083 7.900 1.00 0.00 N ATOM 0 H HIS A 64 16.514 -7.735 2.672 1.00 0.00 H new ATOM 0 HA HIS A 64 16.657 -10.609 3.371 1.00 0.00 H new ATOM 0 HB2 HIS A 64 17.942 -8.840 4.658 1.00 0.00 H new ATOM 0 HB3 HIS A 64 16.404 -8.147 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 64 15.610 -9.086 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 64 17.551 -12.850 7.440 1.00 0.00 H new ATOM 0 HE2 HIS A 64 16.103 -11.299 8.836 1.00 0.00 H new ATOM 1028 N SER A 65 14.049 -9.364 2.633 1.00 0.00 N ATOM 1029 CA SER A 65 12.596 -9.397 2.607 1.00 0.00 C ATOM 1030 C SER A 65 12.119 -9.680 1.190 1.00 0.00 C ATOM 1031 O SER A 65 12.869 -9.478 0.231 1.00 0.00 O ATOM 1032 CB SER A 65 12.030 -8.065 3.104 1.00 0.00 C ATOM 1033 OG SER A 65 12.516 -7.763 4.400 1.00 0.00 O ATOM 0 H SER A 65 14.475 -9.053 1.760 1.00 0.00 H new ATOM 0 HA SER A 65 12.242 -10.189 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.305 -7.268 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.941 -8.111 3.121 1.00 0.00 H new ATOM 0 HG SER A 65 13.138 -7.008 4.348 1.00 0.00 H new ATOM 1039 N ASP A 66 10.889 -10.155 1.055 1.00 0.00 N ATOM 1040 CA ASP A 66 10.351 -10.472 -0.260 1.00 0.00 C ATOM 1041 C ASP A 66 9.805 -9.226 -0.937 1.00 0.00 C ATOM 1042 O ASP A 66 8.898 -8.574 -0.424 1.00 0.00 O ATOM 1043 CB ASP A 66 9.248 -11.522 -0.170 1.00 0.00 C ATOM 1044 CG ASP A 66 8.812 -11.992 -1.543 1.00 0.00 C ATOM 1045 OD1 ASP A 66 9.572 -12.761 -2.168 1.00 0.00 O ATOM 1046 OD2 ASP A 66 7.719 -11.592 -2.009 1.00 0.00 O ATOM 0 H ASP A 66 10.250 -10.328 1.831 1.00 0.00 H new ATOM 0 HA ASP A 66 11.171 -10.874 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.602 -12.373 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.392 -11.107 0.362 1.00 0.00 H new ATOM 1051 N VAL A 67 10.378 -8.896 -2.084 1.00 0.00 N ATOM 1052 CA VAL A 67 9.920 -7.765 -2.868 1.00 0.00 C ATOM 1053 C VAL A 67 10.261 -7.966 -4.342 1.00 0.00 C ATOM 1054 O VAL A 67 11.408 -8.233 -4.699 1.00 0.00 O ATOM 1055 CB VAL A 67 10.511 -6.426 -2.352 1.00 0.00 C ATOM 1056 CG1 VAL A 67 12.035 -6.458 -2.331 1.00 0.00 C ATOM 1057 CG2 VAL A 67 10.011 -5.255 -3.192 1.00 0.00 C ATOM 0 H VAL A 67 11.165 -9.400 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 67 8.837 -7.708 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 67 10.168 -6.289 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.414 -5.504 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.373 -7.259 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.409 -6.633 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.438 -4.327 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.314 -5.396 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.924 -5.204 -3.135 1.00 0.00 H new ATOM 1116 N ARG A 71 4.076 -8.201 -11.439 1.00 0.00 N ATOM 1117 CA ARG A 71 4.093 -9.279 -12.410 1.00 0.00 C ATOM 1118 C ARG A 71 3.512 -8.801 -13.737 1.00 0.00 C ATOM 1119 O ARG A 71 4.238 -8.569 -14.698 1.00 0.00 O ATOM 1120 CB ARG A 71 3.303 -10.482 -11.892 1.00 0.00 C ATOM 1121 CG ARG A 71 4.047 -11.343 -10.872 1.00 0.00 C ATOM 1122 CD ARG A 71 5.317 -11.957 -11.456 1.00 0.00 C ATOM 1123 NE ARG A 71 6.380 -10.966 -11.626 1.00 0.00 N ATOM 1124 CZ ARG A 71 7.542 -11.199 -12.234 1.00 0.00 C ATOM 1125 NH1 ARG A 71 7.801 -12.382 -12.773 1.00 0.00 N ATOM 1126 NH2 ARG A 71 8.446 -10.233 -12.318 1.00 0.00 N ATOM 0 HA ARG A 71 5.127 -9.586 -12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.378 -10.125 -11.440 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.022 -11.107 -12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.304 -10.735 -10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.389 -12.138 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.667 -12.755 -10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.089 -12.412 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 71 6.220 -10.030 -11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.106 -13.127 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.695 -12.547 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.251 -9.315 -11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.337 -10.407 -12.783 1.00 0.00 H new ATOM 1140 N HIS A 72 2.197 -8.643 -13.780 1.00 0.00 N ATOM 1141 CA HIS A 72 1.522 -8.198 -14.994 1.00 0.00 C ATOM 1142 C HIS A 72 1.296 -6.686 -14.980 1.00 0.00 C ATOM 1143 O HIS A 72 0.994 -6.090 -16.010 1.00 0.00 O ATOM 1144 CB HIS A 72 0.188 -8.930 -15.163 1.00 0.00 C ATOM 1145 CG HIS A 72 -0.451 -8.711 -16.504 1.00 0.00 C ATOM 1146 ND1 HIS A 72 -1.487 -7.828 -16.716 1.00 0.00 N ATOM 1147 CD2 HIS A 72 -0.178 -9.261 -17.711 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -1.823 -7.847 -17.993 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -1.043 -8.707 -18.619 1.00 0.00 N ATOM 0 H HIS A 72 1.575 -8.816 -12.990 1.00 0.00 H new ATOM 0 HA HIS A 72 2.166 -8.436 -15.840 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.348 -9.998 -15.016 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.499 -8.600 -14.384 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.581 -10.000 -17.920 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.605 -7.257 -18.448 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.078 -8.924 -19.615 1.00 0.00 H new ATOM 1158 N LEU A 73 1.432 -6.081 -13.801 1.00 0.00 N ATOM 1159 CA LEU A 73 1.159 -4.652 -13.630 1.00 0.00 C ATOM 1160 C LEU A 73 2.088 -3.812 -14.497 1.00 0.00 C ATOM 1161 O LEU A 73 1.673 -3.250 -15.512 1.00 0.00 O ATOM 1162 CB LEU A 73 1.317 -4.214 -12.165 1.00 0.00 C ATOM 1163 CG LEU A 73 0.336 -4.825 -11.159 1.00 0.00 C ATOM 1164 CD1 LEU A 73 0.701 -6.266 -10.840 1.00 0.00 C ATOM 1165 CD2 LEU A 73 0.304 -3.989 -9.889 1.00 0.00 C ATOM 0 H LEU A 73 1.729 -6.557 -12.949 1.00 0.00 H new ATOM 0 HA LEU A 73 0.125 -4.492 -13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.330 -4.456 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.220 -3.129 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.657 -4.826 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.013 -6.672 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.675 -6.859 -11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.703 -6.301 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.396 -4.431 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.300 -3.961 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.015 -2.975 -10.129 1.00 0.00 H new ATOM 1177 N ASN A 74 3.341 -3.731 -14.084 1.00 0.00 N ATOM 1178 CA ASN A 74 4.344 -2.960 -14.800 1.00 0.00 C ATOM 1179 C ASN A 74 5.722 -3.444 -14.382 1.00 0.00 C ATOM 1180 O ASN A 74 5.846 -4.194 -13.416 1.00 0.00 O ATOM 1181 CB ASN A 74 4.193 -1.462 -14.499 1.00 0.00 C ATOM 1182 CG ASN A 74 5.074 -0.596 -15.383 1.00 0.00 C ATOM 1183 OD1 ASN A 74 5.347 -0.939 -16.534 1.00 0.00 O ATOM 1184 ND2 ASN A 74 5.548 0.515 -14.846 1.00 0.00 N ATOM 0 H ASN A 74 3.691 -4.196 -13.246 1.00 0.00 H new ATOM 0 HA ASN A 74 4.212 -3.101 -15.873 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.151 -1.171 -14.635 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.442 -1.279 -13.454 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.163 1.122 -15.389 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.299 0.765 -13.889 1.00 0.00 H new ATOM 1191 N LYS A 75 6.747 -3.029 -15.107 1.00 0.00 N ATOM 1192 CA LYS A 75 8.106 -3.444 -14.804 1.00 0.00 C ATOM 1193 C LYS A 75 8.682 -2.612 -13.657 1.00 0.00 C ATOM 1194 O LYS A 75 9.547 -3.073 -12.917 1.00 0.00 O ATOM 1195 CB LYS A 75 8.984 -3.302 -16.052 1.00 0.00 C ATOM 1196 CG LYS A 75 9.971 -4.446 -16.258 1.00 0.00 C ATOM 1197 CD LYS A 75 10.983 -4.546 -15.129 1.00 0.00 C ATOM 1198 CE LYS A 75 11.959 -5.694 -15.350 1.00 0.00 C ATOM 1199 NZ LYS A 75 12.778 -5.505 -16.576 1.00 0.00 N ATOM 0 H LYS A 75 6.664 -2.405 -15.910 1.00 0.00 H new ATOM 0 HA LYS A 75 8.090 -4.489 -14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.340 -3.231 -16.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.539 -2.366 -15.987 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.424 -5.385 -16.336 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.497 -4.304 -17.202 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.534 -3.609 -15.050 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.461 -4.689 -14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.617 -5.781 -14.485 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.406 -6.630 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.559 -6.192 -16.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.183 -5.650 -17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.166 -4.540 -16.589 1.00 0.00 H new ATOM 1213 N ALA A 76 8.202 -1.383 -13.505 1.00 0.00 N ATOM 1214 CA ALA A 76 8.759 -0.487 -12.497 1.00 0.00 C ATOM 1215 C ALA A 76 7.684 0.340 -11.795 1.00 0.00 C ATOM 1216 O ALA A 76 6.497 0.243 -12.118 1.00 0.00 O ATOM 1217 CB ALA A 76 9.785 0.431 -13.140 1.00 0.00 C ATOM 0 H ALA A 76 7.441 -0.988 -14.057 1.00 0.00 H new ATOM 0 HA ALA A 76 9.236 -1.105 -11.736 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.199 1.099 -12.385 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.586 -0.167 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.306 1.020 -13.922 1.00 0.00 H new ATOM 1223 N HIS A 77 8.138 1.143 -10.824 1.00 0.00 N ATOM 1224 CA HIS A 77 7.294 2.052 -10.034 1.00 0.00 C ATOM 1225 C HIS A 77 6.470 1.293 -8.997 1.00 0.00 C ATOM 1226 O HIS A 77 6.440 1.670 -7.828 1.00 0.00 O ATOM 1227 CB HIS A 77 6.379 2.909 -10.921 1.00 0.00 C ATOM 1228 CG HIS A 77 5.882 4.144 -10.227 1.00 0.00 C ATOM 1229 ND1 HIS A 77 4.548 4.490 -10.144 1.00 0.00 N ATOM 1230 CD2 HIS A 77 6.561 5.126 -9.588 1.00 0.00 C ATOM 1231 CE1 HIS A 77 4.433 5.627 -9.484 1.00 0.00 C ATOM 1232 NE2 HIS A 77 5.638 6.034 -9.138 1.00 0.00 N ATOM 0 H HIS A 77 9.122 1.180 -10.559 1.00 0.00 H new ATOM 0 HA HIS A 77 7.972 2.725 -9.508 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.921 3.198 -11.822 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.526 2.310 -11.241 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.632 5.183 -9.457 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.507 6.138 -9.264 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.849 6.887 -8.619 1.00 0.00 H new ATOM 1241 N TRP A 78 5.804 0.233 -9.423 1.00 0.00 N ATOM 1242 CA TRP A 78 5.054 -0.606 -8.503 1.00 0.00 C ATOM 1243 C TRP A 78 5.960 -1.677 -7.906 1.00 0.00 C ATOM 1244 O TRP A 78 6.723 -2.329 -8.623 1.00 0.00 O ATOM 1245 CB TRP A 78 3.873 -1.276 -9.206 1.00 0.00 C ATOM 1246 CG TRP A 78 2.727 -0.361 -9.521 1.00 0.00 C ATOM 1247 CD1 TRP A 78 2.267 -0.024 -10.761 1.00 0.00 C ATOM 1248 CD2 TRP A 78 1.888 0.322 -8.579 1.00 0.00 C ATOM 1249 NE1 TRP A 78 1.184 0.816 -10.650 1.00 0.00 N ATOM 1250 CE2 TRP A 78 0.933 1.047 -9.319 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.844 0.386 -7.183 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 -0.045 1.829 -8.707 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.875 1.162 -6.578 1.00 0.00 C ATOM 1254 CH2 TRP A 78 -0.061 1.874 -7.339 1.00 0.00 C ATOM 0 H TRP A 78 5.767 -0.067 -10.397 1.00 0.00 H new ATOM 0 HA TRP A 78 4.671 0.033 -7.708 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.228 -1.724 -10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.508 -2.089 -8.578 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.691 -0.367 -11.693 1.00 0.00 H new ATOM 0 HE1 TRP A 78 0.653 1.205 -11.429 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.557 -0.163 -6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.766 2.381 -9.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.838 1.221 -5.500 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.809 2.470 -6.837 1.00 0.00 H new ATOM 1265 N SER A 79 5.875 -1.859 -6.602 1.00 0.00 N ATOM 1266 CA SER A 79 6.639 -2.897 -5.933 1.00 0.00 C ATOM 1267 C SER A 79 5.694 -3.777 -5.131 1.00 0.00 C ATOM 1268 O SER A 79 4.911 -3.283 -4.317 1.00 0.00 O ATOM 1269 CB SER A 79 7.696 -2.276 -5.023 1.00 0.00 C ATOM 1270 OG SER A 79 8.474 -1.325 -5.733 1.00 0.00 O ATOM 0 H SER A 79 5.285 -1.302 -5.984 1.00 0.00 H new ATOM 0 HA SER A 79 7.151 -3.507 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.213 -1.796 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.343 -3.057 -4.623 1.00 0.00 H new ATOM 0 HG SER A 79 9.144 -0.937 -5.133 1.00 0.00 H new ATOM 1276 N THR A 80 5.772 -5.071 -5.374 1.00 0.00 N ATOM 1277 CA THR A 80 4.823 -6.013 -4.814 1.00 0.00 C ATOM 1278 C THR A 80 5.486 -6.920 -3.781 1.00 0.00 C ATOM 1279 O THR A 80 6.540 -7.512 -4.041 1.00 0.00 O ATOM 1280 CB THR A 80 4.202 -6.876 -5.927 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.819 -6.043 -7.030 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.981 -7.630 -5.419 1.00 0.00 C ATOM 0 H THR A 80 6.490 -5.497 -5.961 1.00 0.00 H new ATOM 0 HA THR A 80 4.041 -5.437 -4.320 1.00 0.00 H new ATOM 0 HB THR A 80 4.949 -7.601 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.426 -6.596 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.563 -8.231 -6.226 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.272 -8.281 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.232 -6.918 -5.072 1.00 0.00 H new ATOM 1290 N VAL A 81 4.865 -7.010 -2.614 1.00 0.00 N ATOM 1291 CA VAL A 81 5.328 -7.889 -1.550 1.00 0.00 C ATOM 1292 C VAL A 81 4.333 -9.029 -1.350 1.00 0.00 C ATOM 1293 O VAL A 81 3.127 -8.792 -1.219 1.00 0.00 O ATOM 1294 CB VAL A 81 5.503 -7.119 -0.218 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.970 -8.050 0.896 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.476 -5.961 -0.392 1.00 0.00 C ATOM 0 H VAL A 81 4.028 -6.477 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 81 6.298 -8.290 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 81 4.532 -6.714 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.085 -7.483 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.233 -8.839 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.927 -8.494 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.586 -5.432 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.446 -6.345 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.094 -5.275 -1.148 1.00 0.00 H new ATOM 1306 N TYR A 82 4.831 -10.257 -1.348 1.00 0.00 N ATOM 1307 CA TYR A 82 3.978 -11.425 -1.170 1.00 0.00 C ATOM 1308 C TYR A 82 3.884 -11.807 0.299 1.00 0.00 C ATOM 1309 O TYR A 82 4.879 -12.188 0.920 1.00 0.00 O ATOM 1310 CB TYR A 82 4.497 -12.606 -1.993 1.00 0.00 C ATOM 1311 CG TYR A 82 4.222 -12.485 -3.477 1.00 0.00 C ATOM 1312 CD1 TYR A 82 4.802 -11.479 -4.236 1.00 0.00 C ATOM 1313 CD2 TYR A 82 3.381 -13.386 -4.117 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.553 -11.374 -5.592 1.00 0.00 C ATOM 1315 CE2 TYR A 82 3.127 -13.285 -5.470 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.715 -12.277 -6.203 1.00 0.00 C ATOM 1317 OH TYR A 82 3.468 -12.176 -7.553 1.00 0.00 O ATOM 0 H TYR A 82 5.821 -10.471 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 82 2.980 -11.169 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.572 -12.700 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.041 -13.524 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.459 -10.766 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.918 -14.178 -3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.015 -10.586 -6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.470 -13.993 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 82 2.856 -12.891 -7.828 1.00 0.00 H new ATOM 1327 N LEU A 83 2.686 -11.708 0.854 1.00 0.00 N ATOM 1328 CA LEU A 83 2.475 -12.017 2.256 1.00 0.00 C ATOM 1329 C LEU A 83 2.339 -13.521 2.463 1.00 0.00 C ATOM 1330 O LEU A 83 1.236 -14.059 2.580 1.00 0.00 O ATOM 1331 CB LEU A 83 1.246 -11.285 2.796 1.00 0.00 C ATOM 1332 CG LEU A 83 1.332 -9.757 2.745 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.062 -9.135 3.302 1.00 0.00 C ATOM 1334 CD2 LEU A 83 2.551 -9.262 3.514 1.00 0.00 C ATOM 0 H LEU A 83 1.847 -11.416 0.354 1.00 0.00 H new ATOM 0 HA LEU A 83 3.347 -11.673 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.372 -11.604 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.084 -11.591 3.830 1.00 0.00 H new ATOM 0 HG LEU A 83 1.438 -9.453 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.140 -8.049 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.793 -9.462 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.073 -9.448 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.594 -8.174 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.477 -9.577 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.455 -9.681 3.072 1.00 0.00 H new ATOM 1346 N ASP A 84 3.474 -14.196 2.448 1.00 0.00 N ATOM 1347 CA ASP A 84 3.528 -15.628 2.714 1.00 0.00 C ATOM 1348 C ASP A 84 4.543 -15.911 3.810 1.00 0.00 C ATOM 1349 O ASP A 84 4.401 -16.862 4.577 1.00 0.00 O ATOM 1350 CB ASP A 84 3.890 -16.397 1.440 1.00 0.00 C ATOM 1351 CG ASP A 84 3.885 -17.902 1.642 1.00 0.00 C ATOM 1352 OD1 ASP A 84 2.796 -18.475 1.865 1.00 0.00 O ATOM 1353 OD2 ASP A 84 4.966 -18.518 1.576 1.00 0.00 O ATOM 0 H ASP A 84 4.381 -13.773 2.253 1.00 0.00 H new ATOM 0 HA ASP A 84 2.545 -15.962 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.184 -16.138 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.877 -16.084 1.099 1.00 0.00 H new ATOM 1358 N GLY A 85 5.559 -15.062 3.882 1.00 0.00 N ATOM 1359 CA GLY A 85 6.574 -15.187 4.902 1.00 0.00 C ATOM 1360 C GLY A 85 7.484 -13.981 4.919 1.00 0.00 C ATOM 1361 O GLY A 85 7.118 -12.927 4.394 1.00 0.00 O ATOM 0 H GLY A 85 5.696 -14.280 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.101 -15.302 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.162 -16.087 4.725 1.00 0.00 H new ATOM 1365 N SER A 86 8.664 -14.142 5.514 1.00 0.00 N ATOM 1366 CA SER A 86 9.677 -13.089 5.591 1.00 0.00 C ATOM 1367 C SER A 86 9.265 -11.985 6.574 1.00 0.00 C ATOM 1368 O SER A 86 9.890 -11.820 7.626 1.00 0.00 O ATOM 1369 CB SER A 86 9.969 -12.505 4.198 1.00 0.00 C ATOM 1370 OG SER A 86 11.063 -11.603 4.234 1.00 0.00 O ATOM 0 H SER A 86 8.947 -15.014 5.960 1.00 0.00 H new ATOM 0 HA SER A 86 10.594 -13.540 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.186 -13.314 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.084 -11.991 3.824 1.00 0.00 H new ATOM 0 HG SER A 86 11.881 -12.070 3.964 1.00 0.00 H new ATOM 1376 N LEU A 87 8.210 -11.248 6.246 1.00 0.00 N ATOM 1377 CA LEU A 87 7.773 -10.127 7.071 1.00 0.00 C ATOM 1378 C LEU A 87 6.665 -10.554 8.024 1.00 0.00 C ATOM 1379 O LEU A 87 5.642 -11.087 7.595 1.00 0.00 O ATOM 1380 CB LEU A 87 7.275 -8.956 6.208 1.00 0.00 C ATOM 1381 CG LEU A 87 8.330 -8.250 5.344 1.00 0.00 C ATOM 1382 CD1 LEU A 87 9.594 -7.980 6.147 1.00 0.00 C ATOM 1383 CD2 LEU A 87 8.639 -9.051 4.087 1.00 0.00 C ATOM 0 H LEU A 87 7.641 -11.406 5.414 1.00 0.00 H new ATOM 0 HA LEU A 87 8.638 -9.797 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.487 -9.326 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.820 -8.215 6.866 1.00 0.00 H new ATOM 0 HG LEU A 87 7.919 -7.291 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.327 -7.479 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.355 -7.343 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.007 -8.924 6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.389 -8.526 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.020 -10.033 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.730 -9.168 3.498 1.00 0.00 H new ATOM 1395 N PRO A 88 6.863 -10.342 9.332 1.00 0.00 N ATOM 1396 CA PRO A 88 5.831 -10.597 10.337 1.00 0.00 C ATOM 1397 C PRO A 88 4.748 -9.517 10.346 1.00 0.00 C ATOM 1398 O PRO A 88 4.796 -8.566 9.560 1.00 0.00 O ATOM 1399 CB PRO A 88 6.612 -10.585 11.651 1.00 0.00 C ATOM 1400 CG PRO A 88 7.775 -9.696 11.392 1.00 0.00 C ATOM 1401 CD PRO A 88 8.120 -9.868 9.937 1.00 0.00 C ATOM 0 HA PRO A 88 5.298 -11.529 10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.001 -10.208 12.471 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.935 -11.588 11.929 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.528 -8.658 11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.619 -9.965 12.027 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.450 -8.930 9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.927 -10.588 9.799 1.00 0.00 H new ATOM 1409 N ASP A 89 3.795 -9.664 11.258 1.00 0.00 N ATOM 1410 CA ASP A 89 2.633 -8.777 11.339 1.00 0.00 C ATOM 1411 C ASP A 89 3.032 -7.319 11.566 1.00 0.00 C ATOM 1412 O ASP A 89 2.407 -6.408 11.024 1.00 0.00 O ATOM 1413 CB ASP A 89 1.688 -9.239 12.456 1.00 0.00 C ATOM 1414 CG ASP A 89 2.300 -9.142 13.843 1.00 0.00 C ATOM 1415 OD1 ASP A 89 3.208 -9.944 14.161 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.877 -8.265 14.623 1.00 0.00 O ATOM 0 H ASP A 89 3.803 -10.400 11.964 1.00 0.00 H new ATOM 0 HA ASP A 89 2.120 -8.832 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.780 -8.638 12.425 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.393 -10.271 12.268 1.00 0.00 H new ATOM 1421 N SER A 90 4.080 -7.108 12.348 1.00 0.00 N ATOM 1422 CA SER A 90 4.523 -5.767 12.700 1.00 0.00 C ATOM 1423 C SER A 90 5.079 -5.016 11.489 1.00 0.00 C ATOM 1424 O SER A 90 4.836 -3.818 11.326 1.00 0.00 O ATOM 1425 CB SER A 90 5.571 -5.861 13.805 1.00 0.00 C ATOM 1426 OG SER A 90 6.497 -6.901 13.534 1.00 0.00 O ATOM 0 H SER A 90 4.644 -7.855 12.754 1.00 0.00 H new ATOM 0 HA SER A 90 3.663 -5.200 13.057 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.099 -4.912 13.893 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.082 -6.044 14.762 1.00 0.00 H new ATOM 0 HG SER A 90 7.161 -6.943 14.253 1.00 0.00 H new ATOM 1432 N GLN A 91 5.798 -5.731 10.629 1.00 0.00 N ATOM 1433 CA GLN A 91 6.423 -5.139 9.461 1.00 0.00 C ATOM 1434 C GLN A 91 5.382 -4.625 8.475 1.00 0.00 C ATOM 1435 O GLN A 91 5.617 -3.644 7.767 1.00 0.00 O ATOM 1436 CB GLN A 91 7.321 -6.166 8.783 1.00 0.00 C ATOM 1437 CG GLN A 91 8.571 -6.506 9.578 1.00 0.00 C ATOM 1438 CD GLN A 91 9.467 -5.303 9.799 1.00 0.00 C ATOM 1439 OE1 GLN A 91 9.336 -4.592 10.793 1.00 0.00 O ATOM 1440 NE2 GLN A 91 10.384 -5.070 8.874 1.00 0.00 N ATOM 0 H GLN A 91 5.961 -6.733 10.725 1.00 0.00 H new ATOM 0 HA GLN A 91 7.022 -4.289 9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.750 -7.079 8.613 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.616 -5.788 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.281 -6.921 10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.131 -7.280 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.459 -5.685 8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.016 -4.275 8.971 1.00 0.00 H new ATOM 1449 N ILE A 92 4.240 -5.301 8.430 1.00 0.00 N ATOM 1450 CA ILE A 92 3.159 -4.920 7.531 1.00 0.00 C ATOM 1451 C ILE A 92 2.691 -3.496 7.825 1.00 0.00 C ATOM 1452 O ILE A 92 2.516 -2.690 6.911 1.00 0.00 O ATOM 1453 CB ILE A 92 1.964 -5.893 7.648 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.430 -7.330 7.396 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.859 -5.506 6.671 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.344 -8.365 7.596 1.00 0.00 C ATOM 0 H ILE A 92 4.039 -6.118 9.007 1.00 0.00 H new ATOM 0 HA ILE A 92 3.547 -4.967 6.513 1.00 0.00 H new ATOM 0 HB ILE A 92 1.559 -5.830 8.658 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.809 -7.406 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.262 -7.555 8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.027 -6.203 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.515 -4.496 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.245 -5.542 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.748 -9.358 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.980 -8.317 8.622 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.521 -8.166 6.910 1.00 0.00 H new ATOM 1468 N TYR A 93 2.519 -3.186 9.107 1.00 0.00 N ATOM 1469 CA TYR A 93 2.066 -1.861 9.521 1.00 0.00 C ATOM 1470 C TYR A 93 3.084 -0.789 9.140 1.00 0.00 C ATOM 1471 O TYR A 93 2.711 0.321 8.759 1.00 0.00 O ATOM 1472 CB TYR A 93 1.813 -1.826 11.030 1.00 0.00 C ATOM 1473 CG TYR A 93 0.629 -2.659 11.475 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.671 -2.257 11.191 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.808 -3.840 12.186 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.757 -3.009 11.598 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.274 -4.596 12.597 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.554 -4.175 12.299 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.636 -4.924 12.710 1.00 0.00 O ATOM 0 H TYR A 93 2.686 -3.834 9.877 1.00 0.00 H new ATOM 0 HA TYR A 93 1.132 -1.651 9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.706 -2.178 11.546 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.653 -0.793 11.338 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.835 -1.341 10.643 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.808 -4.172 12.421 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.760 -2.683 11.367 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.118 -5.511 13.148 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.321 -5.717 13.191 1.00 0.00 H new ATOM 1489 N TYR A 94 4.364 -1.140 9.233 1.00 0.00 N ATOM 1490 CA TYR A 94 5.452 -0.217 8.919 1.00 0.00 C ATOM 1491 C TYR A 94 5.358 0.272 7.474 1.00 0.00 C ATOM 1492 O TYR A 94 5.546 1.457 7.195 1.00 0.00 O ATOM 1493 CB TYR A 94 6.805 -0.904 9.161 1.00 0.00 C ATOM 1494 CG TYR A 94 8.014 -0.043 8.841 1.00 0.00 C ATOM 1495 CD1 TYR A 94 8.224 1.167 9.488 1.00 0.00 C ATOM 1496 CD2 TYR A 94 8.948 -0.450 7.894 1.00 0.00 C ATOM 1497 CE1 TYR A 94 9.328 1.948 9.201 1.00 0.00 C ATOM 1498 CE2 TYR A 94 10.056 0.326 7.603 1.00 0.00 C ATOM 1499 CZ TYR A 94 10.243 1.523 8.261 1.00 0.00 C ATOM 1500 OH TYR A 94 11.349 2.301 7.981 1.00 0.00 O ATOM 0 H TYR A 94 4.675 -2.066 9.526 1.00 0.00 H new ATOM 0 HA TYR A 94 5.367 0.650 9.574 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.860 -1.212 10.205 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.851 -1.811 8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.513 1.504 10.228 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.806 -1.388 7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.473 2.888 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.771 -0.004 6.864 1.00 0.00 H new ATOM 0 HH TYR A 94 11.724 2.037 7.115 1.00 0.00 H new ATOM 1510 N LEU A 95 5.050 -0.642 6.564 1.00 0.00 N ATOM 1511 CA LEU A 95 4.972 -0.312 5.147 1.00 0.00 C ATOM 1512 C LEU A 95 3.709 0.487 4.836 1.00 0.00 C ATOM 1513 O LEU A 95 3.755 1.471 4.097 1.00 0.00 O ATOM 1514 CB LEU A 95 5.009 -1.590 4.304 1.00 0.00 C ATOM 1515 CG LEU A 95 6.285 -2.425 4.437 1.00 0.00 C ATOM 1516 CD1 LEU A 95 6.191 -3.679 3.583 1.00 0.00 C ATOM 1517 CD2 LEU A 95 7.503 -1.598 4.047 1.00 0.00 C ATOM 0 H LEU A 95 4.850 -1.618 6.782 1.00 0.00 H new ATOM 0 HA LEU A 95 5.834 0.306 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.157 -2.212 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.880 -1.318 3.256 1.00 0.00 H new ATOM 0 HG LEU A 95 6.395 -2.728 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.106 -4.261 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.340 -4.278 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.059 -3.398 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.402 -2.206 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.402 -1.266 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.578 -0.729 4.701 1.00 0.00 H new ATOM 1529 N VAL A 96 2.589 0.063 5.414 1.00 0.00 N ATOM 1530 CA VAL A 96 1.303 0.703 5.156 1.00 0.00 C ATOM 1531 C VAL A 96 1.298 2.155 5.632 1.00 0.00 C ATOM 1532 O VAL A 96 0.896 3.058 4.893 1.00 0.00 O ATOM 1533 CB VAL A 96 0.141 -0.066 5.832 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.187 0.644 5.611 1.00 0.00 C ATOM 1535 CG2 VAL A 96 0.067 -1.492 5.302 1.00 0.00 C ATOM 0 H VAL A 96 2.546 -0.721 6.065 1.00 0.00 H new ATOM 0 HA VAL A 96 1.154 0.685 4.076 1.00 0.00 H new ATOM 0 HB VAL A 96 0.338 -0.097 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.985 0.082 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.139 1.647 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.390 0.712 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.755 -2.018 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.101 -1.472 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.004 -2.008 5.514 1.00 0.00 H new ATOM 1545 N ASP A 97 1.767 2.379 6.858 1.00 0.00 N ATOM 1546 CA ASP A 97 1.746 3.714 7.449 1.00 0.00 C ATOM 1547 C ASP A 97 2.665 4.662 6.690 1.00 0.00 C ATOM 1548 O ASP A 97 2.328 5.826 6.475 1.00 0.00 O ATOM 1549 CB ASP A 97 2.148 3.665 8.922 1.00 0.00 C ATOM 1550 CG ASP A 97 2.008 5.016 9.595 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.870 5.381 9.960 1.00 0.00 O ATOM 1552 OD2 ASP A 97 3.031 5.717 9.763 1.00 0.00 O ATOM 0 H ASP A 97 2.164 1.657 7.459 1.00 0.00 H new ATOM 0 HA ASP A 97 0.725 4.089 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.528 2.935 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.180 3.324 9.005 1.00 0.00 H new ATOM 1557 N ALA A 98 3.817 4.150 6.265 1.00 0.00 N ATOM 1558 CA ALA A 98 4.787 4.955 5.528 1.00 0.00 C ATOM 1559 C ALA A 98 4.200 5.452 4.210 1.00 0.00 C ATOM 1560 O ALA A 98 4.363 6.620 3.847 1.00 0.00 O ATOM 1561 CB ALA A 98 6.052 4.153 5.270 1.00 0.00 C ATOM 0 H ALA A 98 4.101 3.182 6.418 1.00 0.00 H new ATOM 0 HA ALA A 98 5.037 5.823 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.766 4.766 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.491 3.850 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.808 3.267 4.684 1.00 0.00 H new ATOM 1567 N SER A 99 3.504 4.565 3.508 1.00 0.00 N ATOM 1568 CA SER A 99 2.887 4.909 2.235 1.00 0.00 C ATOM 1569 C SER A 99 1.753 5.912 2.454 1.00 0.00 C ATOM 1570 O SER A 99 1.492 6.773 1.612 1.00 0.00 O ATOM 1571 CB SER A 99 2.364 3.644 1.543 1.00 0.00 C ATOM 1572 OG SER A 99 2.004 3.899 0.197 1.00 0.00 O ATOM 0 H SER A 99 3.353 3.600 3.801 1.00 0.00 H new ATOM 0 HA SER A 99 3.636 5.370 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.129 2.868 1.575 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.499 3.262 2.086 1.00 0.00 H new ATOM 0 HG SER A 99 1.558 3.111 -0.177 1.00 0.00 H new ATOM 1578 N TYR A 100 1.092 5.805 3.601 1.00 0.00 N ATOM 1579 CA TYR A 100 0.037 6.738 3.965 1.00 0.00 C ATOM 1580 C TYR A 100 0.625 8.112 4.277 1.00 0.00 C ATOM 1581 O TYR A 100 0.082 9.137 3.864 1.00 0.00 O ATOM 1582 CB TYR A 100 -0.755 6.203 5.164 1.00 0.00 C ATOM 1583 CG TYR A 100 -1.721 7.202 5.768 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -2.933 7.495 5.151 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.416 7.856 6.955 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -3.809 8.412 5.702 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.285 8.774 7.511 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.479 9.047 6.883 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.343 9.964 7.436 1.00 0.00 O ATOM 0 H TYR A 100 1.270 5.079 4.295 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.644 6.842 3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.312 5.320 4.852 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.054 5.882 5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.194 6.999 4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.481 7.642 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.746 8.630 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.029 9.275 8.433 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.210 9.912 6.982 1.00 0.00 H new ATOM 1599 N GLN A 101 1.748 8.125 4.991 1.00 0.00 N ATOM 1600 CA GLN A 101 2.394 9.372 5.381 1.00 0.00 C ATOM 1601 C GLN A 101 2.807 10.192 4.167 1.00 0.00 C ATOM 1602 O GLN A 101 2.510 11.388 4.092 1.00 0.00 O ATOM 1603 CB GLN A 101 3.611 9.104 6.267 1.00 0.00 C ATOM 1604 CG GLN A 101 3.259 8.674 7.684 1.00 0.00 C ATOM 1605 CD GLN A 101 2.374 9.679 8.394 1.00 0.00 C ATOM 1606 OE1 GLN A 101 1.069 9.462 8.344 1.00 0.00 O flip ATOM 1607 NE2 GLN A 101 2.856 10.629 9.006 1.00 0.00 N flip ATOM 0 H GLN A 101 2.229 7.284 5.311 1.00 0.00 H new ATOM 0 HA GLN A 101 1.664 9.948 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 101 4.222 8.329 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.221 10.006 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.754 7.709 7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.176 8.535 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.867 10.765 9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.245 11.282 9.497 1.00 0.00 H new ATOM 1616 N GLN A 102 3.481 9.558 3.212 1.00 0.00 N ATOM 1617 CA GLN A 102 3.925 10.262 2.017 1.00 0.00 C ATOM 1618 C GLN A 102 2.728 10.775 1.224 1.00 0.00 C ATOM 1619 O GLN A 102 2.747 11.899 0.727 1.00 0.00 O ATOM 1620 CB GLN A 102 4.804 9.372 1.129 1.00 0.00 C ATOM 1621 CG GLN A 102 4.106 8.127 0.605 1.00 0.00 C ATOM 1622 CD GLN A 102 4.527 7.781 -0.810 1.00 0.00 C ATOM 1623 OE1 GLN A 102 5.559 6.966 -0.947 1.00 0.00 O flip ATOM 1624 NE2 GLN A 102 3.920 8.240 -1.775 1.00 0.00 N flip ATOM 0 H GLN A 102 3.729 8.569 3.242 1.00 0.00 H new ATOM 0 HA GLN A 102 4.528 11.110 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.157 9.960 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.684 9.069 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.326 7.286 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.027 8.280 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.128 8.866 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.208 7.995 -2.722 1.00 0.00 H new ATOM 1633 N ALA A 103 1.678 9.958 1.143 1.00 0.00 N ATOM 1634 CA ALA A 103 0.481 10.303 0.391 1.00 0.00 C ATOM 1635 C ALA A 103 -0.135 11.601 0.896 1.00 0.00 C ATOM 1636 O ALA A 103 -0.493 12.470 0.106 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.529 9.171 0.473 1.00 0.00 C ATOM 0 H ALA A 103 1.637 9.045 1.595 1.00 0.00 H new ATOM 0 HA ALA A 103 0.766 10.453 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.422 9.438 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.093 8.263 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.798 8.998 1.515 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.242 11.730 2.215 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.826 12.919 2.823 1.00 0.00 C ATOM 1645 C VAL A 104 0.014 14.157 2.520 1.00 0.00 C ATOM 1646 O VAL A 104 -0.520 15.223 2.226 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.964 12.760 4.354 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.540 14.022 4.991 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.826 11.555 4.695 1.00 0.00 C ATOM 0 H VAL A 104 0.069 11.025 2.883 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.819 13.043 2.391 1.00 0.00 H new ATOM 0 HB VAL A 104 0.034 12.600 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.625 13.879 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.881 14.866 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.526 14.223 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.910 11.462 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.819 11.684 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.368 10.653 4.288 1.00 0.00 H new ATOM 1659 N ASN A 105 1.329 14.006 2.567 1.00 0.00 N ATOM 1660 CA ASN A 105 2.235 15.133 2.356 1.00 0.00 C ATOM 1661 C ASN A 105 2.352 15.490 0.877 1.00 0.00 C ATOM 1662 O ASN A 105 2.836 16.568 0.530 1.00 0.00 O ATOM 1663 CB ASN A 105 3.624 14.833 2.931 1.00 0.00 C ATOM 1664 CG ASN A 105 3.661 14.915 4.446 1.00 0.00 C ATOM 1665 OD1 ASN A 105 3.896 15.981 5.015 1.00 0.00 O ATOM 1666 ND2 ASN A 105 3.441 13.791 5.113 1.00 0.00 N ATOM 0 H ASN A 105 1.795 13.117 2.749 1.00 0.00 H new ATOM 0 HA ASN A 105 1.811 15.989 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.935 13.836 2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.345 15.537 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.463 13.790 6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.249 12.927 4.607 1.00 0.00 H new ATOM 1673 N LEU A 106 1.925 14.580 0.008 1.00 0.00 N ATOM 1674 CA LEU A 106 1.958 14.822 -1.431 1.00 0.00 C ATOM 1675 C LEU A 106 0.630 15.387 -1.921 1.00 0.00 C ATOM 1676 O LEU A 106 0.488 15.732 -3.096 1.00 0.00 O ATOM 1677 CB LEU A 106 2.288 13.533 -2.190 1.00 0.00 C ATOM 1678 CG LEU A 106 3.692 12.977 -1.944 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.899 11.693 -2.730 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.754 14.004 -2.309 1.00 0.00 C ATOM 0 H LEU A 106 1.552 13.669 0.274 1.00 0.00 H new ATOM 0 HA LEU A 106 2.740 15.556 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.559 12.771 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.169 13.718 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 106 3.789 12.753 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.903 11.310 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.164 10.952 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.779 11.895 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.743 13.585 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.660 14.265 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.620 14.898 -1.700 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.341 15.469 -1.022 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.649 16.023 -1.349 1.00 0.00 C ATOM 1694 C LEU A 107 -1.589 17.544 -1.436 1.00 0.00 C ATOM 1695 O LEU A 107 -0.740 18.176 -0.803 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.676 15.618 -0.290 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.078 14.144 -0.293 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -3.973 13.835 0.896 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.778 13.787 -1.594 1.00 0.00 C ATOM 0 H LEU A 107 -0.247 15.157 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.948 15.625 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.275 15.865 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.573 16.221 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.175 13.539 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.250 12.781 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.439 14.055 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.873 14.448 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.058 12.734 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.673 14.399 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.106 13.972 -2.432 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.482 18.153 -2.239 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.640 19.609 -2.271 1.00 0.00 C ATOM 1713 C PRO A 108 -3.095 20.129 -0.915 1.00 0.00 C ATOM 1714 O PRO A 108 -3.733 19.399 -0.157 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.726 19.846 -3.329 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.779 18.584 -4.123 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.388 17.481 -3.181 1.00 0.00 C ATOM 0 HA PRO A 108 -1.708 20.125 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.689 20.060 -2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.481 20.699 -3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.779 18.418 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.098 18.630 -4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.255 17.058 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.892 16.662 -3.703 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.785 21.386 -0.628 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.025 21.968 0.691 1.00 0.00 C ATOM 1727 C GLU A 109 -4.475 21.789 1.135 1.00 0.00 C ATOM 1728 O GLU A 109 -4.742 21.409 2.273 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.668 23.453 0.681 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.477 24.034 2.073 1.00 0.00 C ATOM 1731 CD GLU A 109 -1.462 23.253 2.886 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -0.252 23.539 2.777 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -1.866 22.342 3.633 1.00 0.00 O ATOM 0 H GLU A 109 -2.362 22.030 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.390 21.442 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.753 23.596 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.456 24.006 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.153 25.071 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.433 24.039 2.597 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.399 22.058 0.225 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.823 21.913 0.501 1.00 0.00 C ATOM 1742 C GLU A 110 -7.146 20.497 0.985 1.00 0.00 C ATOM 1743 O GLU A 110 -7.818 20.314 1.999 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.612 22.249 -0.764 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.109 22.359 -0.558 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.866 21.160 -1.097 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.985 21.037 -2.334 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.356 20.345 -0.293 1.00 0.00 O ATOM 0 H GLU A 110 -5.187 22.381 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.107 22.601 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.243 23.192 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.416 21.483 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.318 22.466 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.473 23.263 -1.047 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.622 19.504 0.275 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.869 18.104 0.602 1.00 0.00 C ATOM 1757 C LYS A 111 -6.114 17.712 1.865 1.00 0.00 C ATOM 1758 O LYS A 111 -6.639 17.016 2.736 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.414 17.209 -0.552 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.367 16.064 -0.872 1.00 0.00 C ATOM 1761 CD LYS A 111 -8.430 16.477 -1.886 1.00 0.00 C ATOM 1762 CE LYS A 111 -9.399 17.505 -1.324 1.00 0.00 C ATOM 1763 NZ LYS A 111 -10.293 18.058 -2.375 1.00 0.00 N ATOM 0 H LYS A 111 -6.020 19.644 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.938 17.974 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.289 17.822 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.435 16.795 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.801 15.219 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.851 15.727 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.944 16.886 -2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.985 15.595 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.001 17.045 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.838 18.317 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.108 19.075 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.112 17.571 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.285 17.915 -2.097 1.00 0.00 H new ATOM 1777 N ARG A 112 -4.871 18.166 1.936 1.00 0.00 N ATOM 1778 CA ARG A 112 -3.977 17.861 3.043 1.00 0.00 C ATOM 1779 C ARG A 112 -4.552 18.368 4.361 1.00 0.00 C ATOM 1780 O ARG A 112 -4.603 17.632 5.347 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.607 18.495 2.768 1.00 0.00 C ATOM 1782 CG ARG A 112 -1.463 17.905 3.575 1.00 0.00 C ATOM 1783 CD ARG A 112 -1.108 18.757 4.783 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.599 20.078 4.402 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.651 20.486 4.623 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.527 19.683 5.209 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.036 21.701 4.255 1.00 0.00 N ATOM 0 H ARG A 112 -4.452 18.761 1.221 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.865 16.780 3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.379 18.389 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.668 19.563 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.735 16.903 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.586 17.802 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.990 18.878 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.358 18.240 5.382 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.239 20.724 3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.247 18.745 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.481 20.003 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.374 22.330 3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.994 22.006 4.427 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.006 19.614 4.366 1.00 0.00 N ATOM 1802 CA LYS A 113 -5.550 20.222 5.564 1.00 0.00 C ATOM 1803 C LYS A 113 -6.810 19.512 6.040 1.00 0.00 C ATOM 1804 O LYS A 113 -7.068 19.449 7.238 1.00 0.00 O ATOM 1805 CB LYS A 113 -5.829 21.702 5.323 1.00 0.00 C ATOM 1806 CG LYS A 113 -4.575 22.560 5.346 1.00 0.00 C ATOM 1807 CD LYS A 113 -3.844 22.415 6.670 1.00 0.00 C ATOM 1808 CE LYS A 113 -2.550 23.207 6.695 1.00 0.00 C ATOM 1809 NZ LYS A 113 -1.871 23.099 8.011 1.00 0.00 N ATOM 0 H LYS A 113 -5.006 20.223 3.548 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.804 20.123 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.324 21.819 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.522 22.063 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.916 22.270 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.841 23.605 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.491 22.752 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.628 21.362 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.885 22.845 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.759 24.254 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -0.990 23.652 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.497 23.468 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.650 22.102 8.207 1.00 0.00 H new ATOM 1823 N LEU A 114 -7.579 18.959 5.111 1.00 0.00 N ATOM 1824 CA LEU A 114 -8.770 18.218 5.457 1.00 0.00 C ATOM 1825 C LEU A 114 -8.430 17.036 6.355 1.00 0.00 C ATOM 1826 O LEU A 114 -9.040 16.849 7.405 1.00 0.00 O ATOM 1827 CB LEU A 114 -9.459 17.731 4.191 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.142 18.814 3.353 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -10.808 18.197 2.134 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.160 19.579 4.186 1.00 0.00 C ATOM 0 H LEU A 114 -7.392 19.014 4.110 1.00 0.00 H new ATOM 0 HA LEU A 114 -9.444 18.879 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.721 17.226 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.205 16.986 4.468 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.381 19.518 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.290 18.979 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.057 17.696 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.556 17.472 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.633 20.344 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.919 18.890 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.658 20.052 5.030 1.00 0.00 H new ATOM 1842 N LEU A 115 -7.430 16.262 5.949 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.032 15.074 6.691 1.00 0.00 C ATOM 1844 C LEU A 115 -6.372 15.444 8.014 1.00 0.00 C ATOM 1845 O LEU A 115 -6.408 14.675 8.974 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.083 14.211 5.857 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.660 13.702 4.536 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.680 12.759 3.858 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.996 13.011 4.771 1.00 0.00 C ATOM 0 H LEU A 115 -6.880 16.437 5.108 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.934 14.502 6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.184 14.789 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.776 13.353 6.456 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.826 14.555 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.106 12.405 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.747 13.286 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.483 11.908 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.393 12.654 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.855 12.166 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.697 13.717 5.216 1.00 0.00 H new ATOM 1861 N VAL A 116 -5.772 16.625 8.061 1.00 0.00 N ATOM 1862 CA VAL A 116 -5.129 17.107 9.280 1.00 0.00 C ATOM 1863 C VAL A 116 -6.170 17.588 10.290 1.00 0.00 C ATOM 1864 O VAL A 116 -6.038 17.370 11.498 1.00 0.00 O ATOM 1865 CB VAL A 116 -4.127 18.248 8.986 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -3.526 18.792 10.279 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -3.026 17.756 8.054 1.00 0.00 C ATOM 0 H VAL A 116 -5.716 17.268 7.271 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.578 16.267 9.703 1.00 0.00 H new ATOM 0 HB VAL A 116 -4.666 19.059 8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -2.825 19.593 10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -4.322 19.180 10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.002 17.992 10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.328 18.569 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -2.495 16.928 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.467 17.419 7.116 1.00 0.00 H new ATOM 1877 N GLN A 117 -7.213 18.235 9.787 1.00 0.00 N ATOM 1878 CA GLN A 117 -8.259 18.779 10.629 1.00 0.00 C ATOM 1879 C GLN A 117 -9.137 17.684 11.230 1.00 0.00 C ATOM 1880 O GLN A 117 -9.726 17.880 12.294 1.00 0.00 O ATOM 1881 CB GLN A 117 -9.108 19.761 9.828 1.00 0.00 C ATOM 1882 CG GLN A 117 -8.410 21.085 9.562 1.00 0.00 C ATOM 1883 CD GLN A 117 -9.274 22.063 8.793 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -10.503 22.042 8.891 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -8.636 22.934 8.031 1.00 0.00 N ATOM 0 H GLN A 117 -7.353 18.395 8.789 1.00 0.00 H new ATOM 0 HA GLN A 117 -7.782 19.301 11.458 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -9.379 19.304 8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.037 19.950 10.366 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.119 21.534 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.493 20.900 9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.617 22.916 7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.162 23.624 7.495 1.00 0.00 H new ATOM 1894 N LEU A 118 -9.244 16.554 10.537 1.00 0.00 N ATOM 1895 CA LEU A 118 -10.046 15.425 11.011 1.00 0.00 C ATOM 1896 C LEU A 118 -9.458 14.832 12.288 1.00 0.00 C ATOM 1897 O LEU A 118 -8.393 14.181 12.212 1.00 0.00 O ATOM 1898 CB LEU A 118 -10.149 14.343 9.934 1.00 0.00 C ATOM 1899 CG LEU A 118 -10.884 14.759 8.658 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -10.898 13.615 7.657 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -12.304 15.209 8.975 1.00 0.00 C ATOM 0 H LEU A 118 -8.784 16.393 9.641 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.046 15.800 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.142 14.023 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.656 13.477 10.360 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.351 15.601 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.424 13.927 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.874 13.341 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.406 12.755 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.808 15.500 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.849 14.390 9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.273 16.060 9.656 1.00 0.00 H new