USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 LYS NZ :NH3+ 157:sc= 1.72 (180deg=0.641) USER MOD Set 1.2: A 49 SER OG : rot -71:sc= 1.84 USER MOD Set 1.3: A 70 SER OG : rot 46:sc= 1.05 USER MOD Set 1.4: A 80 THR OG1 : rot 175:sc= 2.12 USER MOD Set 2.1: A 28 GLN : amide:sc= 1 K(o=2.3,f=-7) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -156:sc= 1.31 (180deg=-0.0151) USER MOD Set 3.1: A 22 ASN : amide:sc= 0.135 K(o=0.44,f=-2.3) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -148:sc= 0.31 (180deg=-0.163) USER MOD Set 4.1: A 9 TYR OH : rot 166:sc= 0.565 USER MOD Set 4.2: A 13 LYS NZ :NH3+ 180:sc= 1.88 (180deg=1.23) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.834 (180deg=-2.09) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 8 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.8) USER MOD Single : A 10 CYS SG : rot 63:sc= 1.19 USER MOD Single : A 11 MET CE :methyl 147:sc= -4.68! (180deg=-6.82!) USER MOD Single : A 18 GLN : amide:sc= -0.656 K(o=-0.66,f=-2.1) USER MOD Single : A 19 SER OG : rot 180:sc= -0.762 USER MOD Single : A 21 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0.067) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 38 MET CE :methyl 157:sc= 0 (180deg=-0.0709) USER MOD Single : A 44 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= 0.608 (180deg=0.155) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 136:sc= -0.868 USER MOD Single : A 62 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 63 GLN : amide:sc= -0.988 K(o=-0.99,f=-5.4!) USER MOD Single : A 64 HIS : no HE2:sc= 1.02 K(o=1,f=-4.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc=-0.00397 X(o=-0.004,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0494 (180deg=-0.37) USER MOD Single : A 77 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=-0.013) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -98:sc= 0.645 USER MOD Single : A 86 SER OG : rot 120:sc= -0.0797 USER MOD Single : A 90 SER OG : rot 180:sc= -0.51 USER MOD Single : A 91 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 40:sc= 0.18 USER MOD Single : A 99 SER OG : rot 110:sc= 1.1 USER MOD Single : A 100 TYR OH : rot 1:sc= 1.21 USER MOD Single : A 101 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.16) USER MOD Single : A 102 GLN : amide:sc= -3.56! C(o=-3.6!,f=-5.6!) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 111 LYS NZ :NH3+ 157:sc= 1.14 (180deg=0.965) USER MOD Single : A 113 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.13) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.076 -11.475 12.211 1.00 0.00 N ATOM 2 CA MET A 1 -3.435 -10.169 11.618 1.00 0.00 C ATOM 3 C MET A 1 -3.408 -10.291 10.102 1.00 0.00 C ATOM 4 O MET A 1 -2.339 -10.331 9.495 1.00 0.00 O ATOM 5 CB MET A 1 -2.458 -9.096 12.106 1.00 0.00 C ATOM 6 CG MET A 1 -3.083 -7.719 12.271 1.00 0.00 C ATOM 7 SD MET A 1 -3.256 -6.826 10.720 1.00 0.00 S ATOM 8 CE MET A 1 -1.537 -6.513 10.322 1.00 0.00 C ATOM 0 H1 MET A 1 -3.092 -11.401 13.248 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.761 -12.195 11.905 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.123 -11.748 11.898 1.00 0.00 H new ATOM 0 HA MET A 1 -4.438 -9.876 11.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.037 -9.410 13.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.630 -9.026 11.401 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.065 -7.826 12.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.472 -7.130 12.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.472 -5.690 9.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.995 -6.251 11.231 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.097 -7.408 9.882 1.00 0.00 H new ATOM 20 N THR A 2 -4.586 -10.376 9.497 1.00 0.00 N ATOM 21 CA THR A 2 -4.693 -10.722 8.086 1.00 0.00 C ATOM 22 C THR A 2 -5.433 -9.639 7.293 1.00 0.00 C ATOM 23 O THR A 2 -5.990 -8.710 7.873 1.00 0.00 O ATOM 24 CB THR A 2 -5.407 -12.081 7.933 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.227 -12.852 9.129 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.840 -12.864 6.754 1.00 0.00 C ATOM 0 H THR A 2 -5.479 -10.210 9.961 1.00 0.00 H new ATOM 0 HA THR A 2 -3.685 -10.795 7.679 1.00 0.00 H new ATOM 0 HB THR A 2 -6.466 -11.893 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.682 -13.715 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.360 -13.818 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.977 -12.291 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.777 -13.043 6.914 1.00 0.00 H new ATOM 34 N ILE A 3 -5.438 -9.781 5.966 1.00 0.00 N ATOM 35 CA ILE A 3 -5.988 -8.779 5.047 1.00 0.00 C ATOM 36 C ILE A 3 -7.430 -8.386 5.395 1.00 0.00 C ATOM 37 O ILE A 3 -7.814 -7.224 5.242 1.00 0.00 O ATOM 38 CB ILE A 3 -5.927 -9.297 3.593 1.00 0.00 C ATOM 39 CG1 ILE A 3 -4.476 -9.614 3.204 1.00 0.00 C ATOM 40 CG2 ILE A 3 -6.534 -8.288 2.624 1.00 0.00 C ATOM 41 CD1 ILE A 3 -3.545 -8.423 3.285 1.00 0.00 C ATOM 0 H ILE A 3 -5.058 -10.601 5.494 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.372 -7.885 5.150 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.515 -10.213 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.099 -10.402 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.460 -10.007 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.477 -8.679 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.577 -8.113 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.982 -7.350 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.539 -8.727 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.896 -7.641 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.529 -8.042 4.306 1.00 0.00 H new ATOM 53 N SER A 4 -8.220 -9.341 5.871 1.00 0.00 N ATOM 54 CA SER A 4 -9.594 -9.065 6.282 1.00 0.00 C ATOM 55 C SER A 4 -9.633 -7.962 7.341 1.00 0.00 C ATOM 56 O SER A 4 -10.496 -7.083 7.313 1.00 0.00 O ATOM 57 CB SER A 4 -10.244 -10.342 6.818 1.00 0.00 C ATOM 58 OG SER A 4 -9.371 -11.019 7.708 1.00 0.00 O ATOM 0 H SER A 4 -7.934 -10.314 5.982 1.00 0.00 H new ATOM 0 HA SER A 4 -10.154 -8.720 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.173 -10.094 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.504 -10.999 5.988 1.00 0.00 H new ATOM 0 HG SER A 4 -9.808 -11.831 8.040 1.00 0.00 H new ATOM 64 N GLU A 5 -8.677 -8.009 8.256 1.00 0.00 N ATOM 65 CA GLU A 5 -8.554 -7.010 9.306 1.00 0.00 C ATOM 66 C GLU A 5 -7.913 -5.737 8.756 1.00 0.00 C ATOM 67 O GLU A 5 -8.217 -4.632 9.204 1.00 0.00 O ATOM 68 CB GLU A 5 -7.729 -7.580 10.461 1.00 0.00 C ATOM 69 CG GLU A 5 -8.291 -8.888 10.995 1.00 0.00 C ATOM 70 CD GLU A 5 -7.407 -9.533 12.038 1.00 0.00 C ATOM 71 OE1 GLU A 5 -6.426 -10.204 11.658 1.00 0.00 O ATOM 72 OE2 GLU A 5 -7.708 -9.401 13.243 1.00 0.00 O ATOM 0 H GLU A 5 -7.966 -8.739 8.292 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.546 -6.753 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.704 -7.740 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.690 -6.850 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.275 -8.704 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.430 -9.582 10.166 1.00 0.00 H new ATOM 79 N LEU A 6 -7.035 -5.905 7.768 1.00 0.00 N ATOM 80 CA LEU A 6 -6.375 -4.780 7.122 1.00 0.00 C ATOM 81 C LEU A 6 -7.384 -3.855 6.458 1.00 0.00 C ATOM 82 O LEU A 6 -7.200 -2.640 6.445 1.00 0.00 O ATOM 83 CB LEU A 6 -5.375 -5.268 6.073 1.00 0.00 C ATOM 84 CG LEU A 6 -3.917 -5.363 6.528 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.487 -4.086 7.234 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.707 -6.567 7.425 1.00 0.00 C ATOM 0 H LEU A 6 -6.766 -6.817 7.398 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.846 -4.227 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.692 -6.252 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.424 -4.598 5.214 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.296 -5.489 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.447 -4.177 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.588 -3.242 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.118 -3.923 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.663 -6.612 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.343 -6.480 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.963 -7.476 6.880 1.00 0.00 H new ATOM 98 N LEU A 7 -8.445 -4.437 5.908 1.00 0.00 N ATOM 99 CA LEU A 7 -9.490 -3.671 5.236 1.00 0.00 C ATOM 100 C LEU A 7 -10.037 -2.598 6.178 1.00 0.00 C ATOM 101 O LEU A 7 -10.103 -1.418 5.828 1.00 0.00 O ATOM 102 CB LEU A 7 -10.614 -4.617 4.779 1.00 0.00 C ATOM 103 CG LEU A 7 -11.498 -4.113 3.627 1.00 0.00 C ATOM 104 CD1 LEU A 7 -12.391 -2.959 4.065 1.00 0.00 C ATOM 105 CD2 LEU A 7 -10.636 -3.699 2.443 1.00 0.00 C ATOM 0 H LEU A 7 -8.605 -5.444 5.915 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.071 -3.178 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.164 -5.563 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.254 -4.827 5.636 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.148 -4.934 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.000 -2.631 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.040 -3.289 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.772 -2.131 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.275 -3.344 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.959 -2.901 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.056 -4.555 2.098 1.00 0.00 H new ATOM 117 N GLN A 8 -10.398 -3.016 7.384 1.00 0.00 N ATOM 118 CA GLN A 8 -10.928 -2.114 8.383 1.00 0.00 C ATOM 119 C GLN A 8 -9.857 -1.135 8.849 1.00 0.00 C ATOM 120 O GLN A 8 -10.138 0.038 9.097 1.00 0.00 O ATOM 121 CB GLN A 8 -11.465 -2.918 9.563 1.00 0.00 C ATOM 122 CG GLN A 8 -12.592 -3.872 9.197 1.00 0.00 C ATOM 123 CD GLN A 8 -13.783 -3.167 8.573 1.00 0.00 C ATOM 124 OE1 GLN A 8 -13.866 -3.020 7.354 1.00 0.00 O ATOM 125 NE2 GLN A 8 -14.712 -2.722 9.406 1.00 0.00 N ATOM 0 H GLN A 8 -10.330 -3.986 7.691 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.741 -1.538 7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.647 -3.489 10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.820 -2.228 10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.215 -4.622 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.918 -4.402 10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.606 -2.864 10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.533 -2.238 9.043 1.00 0.00 H new ATOM 134 N TYR A 9 -8.624 -1.621 8.951 1.00 0.00 N ATOM 135 CA TYR A 9 -7.504 -0.789 9.373 1.00 0.00 C ATOM 136 C TYR A 9 -7.234 0.319 8.354 1.00 0.00 C ATOM 137 O TYR A 9 -6.879 1.439 8.722 1.00 0.00 O ATOM 138 CB TYR A 9 -6.250 -1.645 9.579 1.00 0.00 C ATOM 139 CG TYR A 9 -5.058 -0.857 10.081 1.00 0.00 C ATOM 140 CD1 TYR A 9 -5.004 -0.409 11.396 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.999 -0.547 9.237 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.926 0.322 11.856 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.920 0.189 9.689 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.890 0.620 11.000 1.00 0.00 C ATOM 145 OH TYR A 9 -1.823 1.363 11.452 1.00 0.00 O ATOM 0 H TYR A 9 -8.375 -2.589 8.747 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.766 -0.321 10.322 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.475 -2.441 10.289 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.988 -2.125 8.636 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.818 -0.636 12.069 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.019 -0.886 8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.896 0.658 12.882 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.105 0.425 9.021 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.082 1.293 10.814 1.00 0.00 H new ATOM 155 N CYS A 10 -7.406 0.006 7.076 1.00 0.00 N ATOM 156 CA CYS A 10 -7.221 0.988 6.014 1.00 0.00 C ATOM 157 C CYS A 10 -8.320 2.041 6.065 1.00 0.00 C ATOM 158 O CYS A 10 -8.091 3.211 5.766 1.00 0.00 O ATOM 159 CB CYS A 10 -7.212 0.307 4.643 1.00 0.00 C ATOM 160 SG CYS A 10 -5.914 -0.936 4.450 1.00 0.00 S ATOM 0 H CYS A 10 -7.674 -0.922 6.749 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.258 1.476 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.180 -0.165 4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.091 1.067 3.871 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.104 -1.898 5.303 1.00 0.00 H new ATOM 166 N MET A 11 -9.511 1.621 6.469 1.00 0.00 N ATOM 167 CA MET A 11 -10.643 2.531 6.590 1.00 0.00 C ATOM 168 C MET A 11 -10.568 3.321 7.888 1.00 0.00 C ATOM 169 O MET A 11 -11.420 4.164 8.165 1.00 0.00 O ATOM 170 CB MET A 11 -11.965 1.768 6.501 1.00 0.00 C ATOM 171 CG MET A 11 -12.223 1.114 5.146 1.00 0.00 C ATOM 172 SD MET A 11 -12.440 2.303 3.793 1.00 0.00 S ATOM 173 CE MET A 11 -10.745 2.659 3.327 1.00 0.00 C ATOM 0 H MET A 11 -9.719 0.654 6.719 1.00 0.00 H new ATOM 0 HA MET A 11 -10.598 3.236 5.760 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.979 0.997 7.272 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.783 2.454 6.722 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.390 0.453 4.907 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.114 0.491 5.217 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.695 2.851 2.255 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.395 3.537 3.870 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.113 1.805 3.573 1.00 0.00 H new ATOM 183 N ALA A 12 -9.542 3.045 8.681 1.00 0.00 N ATOM 184 CA ALA A 12 -9.285 3.816 9.883 1.00 0.00 C ATOM 185 C ALA A 12 -8.382 4.997 9.557 1.00 0.00 C ATOM 186 O ALA A 12 -8.071 5.819 10.419 1.00 0.00 O ATOM 187 CB ALA A 12 -8.662 2.939 10.959 1.00 0.00 C ATOM 0 H ALA A 12 -8.875 2.292 8.511 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.231 4.196 10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.477 3.535 11.852 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.342 2.123 11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.720 2.530 10.594 1.00 0.00 H new ATOM 193 N LYS A 13 -7.963 5.075 8.299 1.00 0.00 N ATOM 194 CA LYS A 13 -7.140 6.177 7.833 1.00 0.00 C ATOM 195 C LYS A 13 -8.003 7.158 7.041 1.00 0.00 C ATOM 196 O LYS A 13 -8.364 6.890 5.892 1.00 0.00 O ATOM 197 CB LYS A 13 -5.996 5.664 6.952 1.00 0.00 C ATOM 198 CG LYS A 13 -5.219 4.496 7.547 1.00 0.00 C ATOM 199 CD LYS A 13 -4.485 4.869 8.828 1.00 0.00 C ATOM 200 CE LYS A 13 -3.717 3.676 9.379 1.00 0.00 C ATOM 201 NZ LYS A 13 -3.002 3.991 10.645 1.00 0.00 N ATOM 0 H LYS A 13 -8.183 4.383 7.583 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.709 6.682 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.404 5.360 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.305 6.485 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.906 3.675 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.499 4.133 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.797 5.691 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.199 5.222 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.409 2.852 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.997 3.337 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.496 3.146 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.321 4.759 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.689 4.289 11.367 1.00 0.00 H new ATOM 215 N PRO A 14 -8.357 8.299 7.649 1.00 0.00 N ATOM 216 CA PRO A 14 -9.262 9.279 7.038 1.00 0.00 C ATOM 217 C PRO A 14 -8.702 9.882 5.755 1.00 0.00 C ATOM 218 O PRO A 14 -7.646 10.512 5.760 1.00 0.00 O ATOM 219 CB PRO A 14 -9.411 10.359 8.116 1.00 0.00 C ATOM 220 CG PRO A 14 -8.222 10.195 8.997 1.00 0.00 C ATOM 221 CD PRO A 14 -7.898 8.731 8.982 1.00 0.00 C ATOM 0 HA PRO A 14 -10.205 8.820 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.440 11.355 7.675 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.337 10.232 8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.381 10.785 8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.436 10.537 10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.831 8.553 9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.414 8.196 9.779 1.00 0.00 H new ATOM 229 N GLY A 15 -9.409 9.680 4.652 1.00 0.00 N ATOM 230 CA GLY A 15 -8.976 10.240 3.389 1.00 0.00 C ATOM 231 C GLY A 15 -8.643 9.168 2.380 1.00 0.00 C ATOM 232 O GLY A 15 -8.719 9.397 1.175 1.00 0.00 O ATOM 0 H GLY A 15 -10.273 9.139 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.760 10.883 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.101 10.869 3.552 1.00 0.00 H new ATOM 236 N ALA A 16 -8.278 7.996 2.877 1.00 0.00 N ATOM 237 CA ALA A 16 -7.965 6.873 2.014 1.00 0.00 C ATOM 238 C ALA A 16 -9.226 6.091 1.687 1.00 0.00 C ATOM 239 O ALA A 16 -9.949 5.653 2.587 1.00 0.00 O ATOM 240 CB ALA A 16 -6.933 5.968 2.670 1.00 0.00 C ATOM 0 H ALA A 16 -8.192 7.800 3.874 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.544 7.257 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.710 5.131 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.021 6.534 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.328 5.590 3.613 1.00 0.00 H new ATOM 246 N GLU A 17 -9.508 5.939 0.408 1.00 0.00 N ATOM 247 CA GLU A 17 -10.645 5.147 -0.021 1.00 0.00 C ATOM 248 C GLU A 17 -10.167 3.932 -0.792 1.00 0.00 C ATOM 249 O GLU A 17 -9.434 4.056 -1.775 1.00 0.00 O ATOM 250 CB GLU A 17 -11.602 5.981 -0.881 1.00 0.00 C ATOM 251 CG GLU A 17 -12.833 5.215 -1.340 1.00 0.00 C ATOM 252 CD GLU A 17 -13.812 6.079 -2.111 1.00 0.00 C ATOM 253 OE1 GLU A 17 -13.614 6.270 -3.330 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.787 6.568 -1.498 1.00 0.00 O ATOM 0 H GLU A 17 -8.967 6.352 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.188 4.817 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.919 6.855 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.065 6.347 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.522 4.379 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.336 4.791 -0.471 1.00 0.00 H new ATOM 261 N GLN A 18 -10.578 2.758 -0.339 1.00 0.00 N ATOM 262 CA GLN A 18 -10.205 1.521 -1.000 1.00 0.00 C ATOM 263 C GLN A 18 -11.305 1.076 -1.949 1.00 0.00 C ATOM 264 O GLN A 18 -12.464 1.453 -1.784 1.00 0.00 O ATOM 265 CB GLN A 18 -9.877 0.418 0.024 1.00 0.00 C ATOM 266 CG GLN A 18 -10.936 0.188 1.101 1.00 0.00 C ATOM 267 CD GLN A 18 -12.174 -0.540 0.609 1.00 0.00 C ATOM 268 OE1 GLN A 18 -12.111 -1.362 -0.306 1.00 0.00 O ATOM 269 NE2 GLN A 18 -13.311 -0.245 1.220 1.00 0.00 N ATOM 0 H GLN A 18 -11.169 2.638 0.483 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.302 1.705 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.720 -0.518 -0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.935 0.667 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.492 -0.383 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.234 1.152 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.322 0.442 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.176 -0.705 0.937 1.00 0.00 H new ATOM 278 N SER A 19 -10.935 0.296 -2.947 1.00 0.00 N ATOM 279 CA SER A 19 -11.893 -0.219 -3.906 1.00 0.00 C ATOM 280 C SER A 19 -11.388 -1.524 -4.512 1.00 0.00 C ATOM 281 O SER A 19 -10.469 -1.526 -5.330 1.00 0.00 O ATOM 282 CB SER A 19 -12.144 0.823 -4.998 1.00 0.00 C ATOM 283 OG SER A 19 -10.919 1.364 -5.472 1.00 0.00 O ATOM 0 H SER A 19 -9.972 0.004 -3.115 1.00 0.00 H new ATOM 0 HA SER A 19 -12.834 -0.424 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.689 0.366 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.772 1.623 -4.606 1.00 0.00 H new ATOM 0 HG SER A 19 -11.102 2.027 -6.170 1.00 0.00 H new ATOM 289 N VAL A 20 -11.959 -2.640 -4.081 1.00 0.00 N ATOM 290 CA VAL A 20 -11.596 -3.930 -4.639 1.00 0.00 C ATOM 291 C VAL A 20 -12.295 -4.138 -5.977 1.00 0.00 C ATOM 292 O VAL A 20 -13.519 -4.246 -6.053 1.00 0.00 O ATOM 293 CB VAL A 20 -11.906 -5.103 -3.673 1.00 0.00 C ATOM 294 CG1 VAL A 20 -13.329 -5.025 -3.136 1.00 0.00 C ATOM 295 CG2 VAL A 20 -11.663 -6.440 -4.359 1.00 0.00 C ATOM 0 H VAL A 20 -12.671 -2.676 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.517 -3.925 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.228 -5.020 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.510 -5.863 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.463 -4.089 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.034 -5.068 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.886 -7.251 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.308 -6.523 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.620 -6.505 -4.670 1.00 0.00 H new ATOM 305 N HIS A 21 -11.504 -4.157 -7.034 1.00 0.00 N ATOM 306 CA HIS A 21 -12.027 -4.379 -8.370 1.00 0.00 C ATOM 307 C HIS A 21 -12.100 -5.874 -8.653 1.00 0.00 C ATOM 308 O HIS A 21 -11.101 -6.583 -8.527 1.00 0.00 O ATOM 309 CB HIS A 21 -11.148 -3.681 -9.418 1.00 0.00 C ATOM 310 CG HIS A 21 -11.289 -2.185 -9.435 1.00 0.00 C ATOM 311 ND1 HIS A 21 -11.805 -1.493 -10.511 1.00 0.00 N ATOM 312 CD2 HIS A 21 -10.960 -1.245 -8.512 1.00 0.00 C ATOM 313 CE1 HIS A 21 -11.791 -0.199 -10.248 1.00 0.00 C ATOM 314 NE2 HIS A 21 -11.285 -0.022 -9.045 1.00 0.00 N ATOM 0 H HIS A 21 -10.494 -4.021 -6.993 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.030 -3.955 -8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.105 -3.935 -9.230 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.398 -4.071 -10.405 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.524 -1.426 -7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.136 0.583 -10.908 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.155 0.878 -8.584 1.00 0.00 H new ATOM 323 N ASN A 22 -13.280 -6.348 -9.040 1.00 0.00 N ATOM 324 CA ASN A 22 -13.496 -7.772 -9.299 1.00 0.00 C ATOM 325 C ASN A 22 -12.964 -8.154 -10.683 1.00 0.00 C ATOM 326 O ASN A 22 -13.292 -9.206 -11.230 1.00 0.00 O ATOM 327 CB ASN A 22 -14.988 -8.111 -9.185 1.00 0.00 C ATOM 328 CG ASN A 22 -15.249 -9.606 -9.073 1.00 0.00 C ATOM 329 OD1 ASN A 22 -14.423 -10.356 -8.548 1.00 0.00 O ATOM 330 ND2 ASN A 22 -16.401 -10.049 -9.557 1.00 0.00 N ATOM 0 H ASN A 22 -14.106 -5.766 -9.182 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.949 -8.347 -8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.404 -7.608 -8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.512 -7.720 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.629 -11.042 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.059 -9.397 -9.984 1.00 0.00 H new ATOM 337 N ASP A 23 -12.133 -7.281 -11.236 1.00 0.00 N ATOM 338 CA ASP A 23 -11.491 -7.522 -12.522 1.00 0.00 C ATOM 339 C ASP A 23 -10.486 -8.659 -12.390 1.00 0.00 C ATOM 340 O ASP A 23 -10.560 -9.658 -13.101 1.00 0.00 O ATOM 341 CB ASP A 23 -10.787 -6.248 -12.997 1.00 0.00 C ATOM 342 CG ASP A 23 -10.228 -6.365 -14.403 1.00 0.00 C ATOM 343 OD1 ASP A 23 -10.982 -6.113 -15.363 1.00 0.00 O ATOM 344 OD2 ASP A 23 -9.029 -6.671 -14.551 1.00 0.00 O ATOM 0 H ASP A 23 -11.885 -6.389 -10.808 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.247 -7.801 -13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.490 -5.416 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.976 -6.010 -12.309 1.00 0.00 H new ATOM 349 N TRP A 24 -9.558 -8.495 -11.453 1.00 0.00 N ATOM 350 CA TRP A 24 -8.575 -9.527 -11.145 1.00 0.00 C ATOM 351 C TRP A 24 -8.351 -9.606 -9.638 1.00 0.00 C ATOM 352 O TRP A 24 -7.376 -10.201 -9.168 1.00 0.00 O ATOM 353 CB TRP A 24 -7.259 -9.256 -11.887 1.00 0.00 C ATOM 354 CG TRP A 24 -6.610 -7.936 -11.561 1.00 0.00 C ATOM 355 CD1 TRP A 24 -7.093 -6.685 -11.832 1.00 0.00 C ATOM 356 CD2 TRP A 24 -5.335 -7.741 -10.930 1.00 0.00 C ATOM 357 NE1 TRP A 24 -6.208 -5.731 -11.394 1.00 0.00 N ATOM 358 CE2 TRP A 24 -5.122 -6.353 -10.839 1.00 0.00 C ATOM 359 CE3 TRP A 24 -4.358 -8.606 -10.424 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -3.972 -5.812 -10.271 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -3.218 -8.066 -9.861 1.00 0.00 C ATOM 362 CH2 TRP A 24 -3.035 -6.682 -9.789 1.00 0.00 C ATOM 0 H TRP A 24 -9.466 -7.650 -10.890 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.957 -10.490 -11.484 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.557 -10.057 -11.656 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -7.448 -9.297 -12.960 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.034 -6.478 -12.320 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.339 -4.722 -11.470 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.493 -9.676 -10.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.826 -4.744 -10.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.456 -8.724 -9.470 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.133 -6.292 -9.342 1.00 0.00 H new ATOM 373 N LYS A 25 -9.292 -9.015 -8.899 1.00 0.00 N ATOM 374 CA LYS A 25 -9.265 -8.976 -7.437 1.00 0.00 C ATOM 375 C LYS A 25 -8.043 -8.233 -6.908 1.00 0.00 C ATOM 376 O LYS A 25 -7.010 -8.822 -6.589 1.00 0.00 O ATOM 377 CB LYS A 25 -9.362 -10.381 -6.840 1.00 0.00 C ATOM 378 CG LYS A 25 -10.694 -11.048 -7.133 1.00 0.00 C ATOM 379 CD LYS A 25 -10.805 -12.410 -6.473 1.00 0.00 C ATOM 380 CE LYS A 25 -12.114 -13.096 -6.836 1.00 0.00 C ATOM 381 NZ LYS A 25 -13.301 -12.314 -6.390 1.00 0.00 N ATOM 0 H LYS A 25 -10.102 -8.545 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.144 -8.417 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.556 -10.997 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.218 -10.324 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.504 -10.408 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.816 -11.156 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.967 -13.035 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.738 -12.298 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.160 -13.239 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.142 -14.086 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.074 -12.965 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.050 -11.748 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.609 -11.682 -7.157 1.00 0.00 H new ATOM 395 N ALA A 26 -8.187 -6.921 -6.852 1.00 0.00 N ATOM 396 CA ALA A 26 -7.174 -6.042 -6.300 1.00 0.00 C ATOM 397 C ALA A 26 -7.851 -4.807 -5.731 1.00 0.00 C ATOM 398 O ALA A 26 -8.765 -4.257 -6.352 1.00 0.00 O ATOM 399 CB ALA A 26 -6.159 -5.653 -7.363 1.00 0.00 C ATOM 0 H ALA A 26 -9.016 -6.433 -7.191 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.638 -6.563 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.409 -4.994 -6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.674 -6.550 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.666 -5.136 -8.178 1.00 0.00 H new ATOM 405 N THR A 27 -7.427 -4.387 -4.556 1.00 0.00 N ATOM 406 CA THR A 27 -8.044 -3.255 -3.901 1.00 0.00 C ATOM 407 C THR A 27 -7.215 -1.991 -4.107 1.00 0.00 C ATOM 408 O THR A 27 -6.064 -1.904 -3.674 1.00 0.00 O ATOM 409 CB THR A 27 -8.217 -3.530 -2.398 1.00 0.00 C ATOM 410 OG1 THR A 27 -8.888 -4.783 -2.211 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.016 -2.428 -1.725 1.00 0.00 C ATOM 0 H THR A 27 -6.659 -4.813 -4.037 1.00 0.00 H new ATOM 0 HA THR A 27 -9.027 -3.102 -4.347 1.00 0.00 H new ATOM 0 HB THR A 27 -7.226 -3.564 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.995 -4.957 -1.253 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.121 -2.651 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.498 -1.477 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.004 -2.364 -2.182 1.00 0.00 H new ATOM 419 N GLN A 28 -7.817 -1.019 -4.770 1.00 0.00 N ATOM 420 CA GLN A 28 -7.161 0.246 -5.047 1.00 0.00 C ATOM 421 C GLN A 28 -7.390 1.208 -3.890 1.00 0.00 C ATOM 422 O GLN A 28 -8.521 1.621 -3.637 1.00 0.00 O ATOM 423 CB GLN A 28 -7.724 0.842 -6.339 1.00 0.00 C ATOM 424 CG GLN A 28 -6.999 2.087 -6.814 1.00 0.00 C ATOM 425 CD GLN A 28 -7.762 2.815 -7.903 1.00 0.00 C ATOM 426 OE1 GLN A 28 -8.557 3.713 -7.624 1.00 0.00 O ATOM 427 NE2 GLN A 28 -7.546 2.423 -9.148 1.00 0.00 N ATOM 0 H GLN A 28 -8.769 -1.084 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.090 0.080 -5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.680 0.087 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.776 1.083 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.844 2.759 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.013 1.811 -7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.879 1.675 -9.339 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.046 2.869 -9.917 1.00 0.00 H new ATOM 436 N ILE A 29 -6.327 1.541 -3.174 1.00 0.00 N ATOM 437 CA ILE A 29 -6.431 2.460 -2.051 1.00 0.00 C ATOM 438 C ILE A 29 -5.811 3.801 -2.421 1.00 0.00 C ATOM 439 O ILE A 29 -4.591 3.925 -2.539 1.00 0.00 O ATOM 440 CB ILE A 29 -5.725 1.897 -0.797 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.187 0.462 -0.521 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.009 2.787 0.407 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.461 -0.203 0.629 1.00 0.00 C ATOM 0 H ILE A 29 -5.386 1.190 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.488 2.591 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.650 1.883 -0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.256 0.469 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.045 -0.135 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.507 2.382 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.640 3.794 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.083 2.823 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.842 -1.215 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.394 -0.243 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.623 0.370 1.542 1.00 0.00 H new ATOM 455 N LYS A 30 -6.650 4.804 -2.607 1.00 0.00 N ATOM 456 CA LYS A 30 -6.170 6.105 -3.033 1.00 0.00 C ATOM 457 C LYS A 30 -6.931 7.216 -2.329 1.00 0.00 C ATOM 458 O LYS A 30 -7.933 6.963 -1.660 1.00 0.00 O ATOM 459 CB LYS A 30 -6.315 6.263 -4.553 1.00 0.00 C ATOM 460 CG LYS A 30 -7.757 6.354 -5.033 1.00 0.00 C ATOM 461 CD LYS A 30 -7.823 6.718 -6.509 1.00 0.00 C ATOM 462 CE LYS A 30 -9.248 6.993 -6.968 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.121 5.797 -6.842 1.00 0.00 N ATOM 0 H LYS A 30 -7.659 4.744 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.115 6.176 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.781 7.160 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.833 5.417 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.259 5.401 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.292 7.101 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.207 7.598 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.402 5.906 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.666 7.809 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.236 7.323 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.917 5.877 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.572 4.942 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.486 5.734 -5.870 1.00 0.00 H new ATOM 477 N VAL A 31 -6.433 8.434 -2.476 1.00 0.00 N ATOM 478 CA VAL A 31 -7.140 9.614 -2.002 1.00 0.00 C ATOM 479 C VAL A 31 -8.098 10.069 -3.107 1.00 0.00 C ATOM 480 O VAL A 31 -8.685 9.234 -3.793 1.00 0.00 O ATOM 481 CB VAL A 31 -6.158 10.754 -1.636 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.777 11.701 -0.614 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.850 10.190 -1.104 1.00 0.00 C ATOM 0 H VAL A 31 -5.537 8.632 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.693 9.366 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.949 11.318 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.067 12.492 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.684 12.141 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.023 11.148 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.176 11.009 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.046 9.596 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.389 9.560 -1.865 1.00 0.00 H new ATOM 493 N GLU A 32 -8.246 11.370 -3.303 1.00 0.00 N ATOM 494 CA GLU A 32 -9.136 11.876 -4.338 1.00 0.00 C ATOM 495 C GLU A 32 -8.603 11.528 -5.724 1.00 0.00 C ATOM 496 O GLU A 32 -9.330 11.001 -6.566 1.00 0.00 O ATOM 497 CB GLU A 32 -9.315 13.388 -4.201 1.00 0.00 C ATOM 498 CG GLU A 32 -9.893 13.809 -2.862 1.00 0.00 C ATOM 499 CD GLU A 32 -10.220 15.284 -2.814 1.00 0.00 C ATOM 500 OE1 GLU A 32 -11.334 15.657 -3.230 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.369 16.076 -2.367 1.00 0.00 O ATOM 0 H GLU A 32 -7.766 12.090 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.108 11.400 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.350 13.875 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.969 13.742 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.796 13.233 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.181 13.571 -2.071 1.00 0.00 H new ATOM 508 N ASP A 33 -7.331 11.823 -5.956 1.00 0.00 N ATOM 509 CA ASP A 33 -6.701 11.502 -7.233 1.00 0.00 C ATOM 510 C ASP A 33 -5.258 11.041 -7.016 1.00 0.00 C ATOM 511 O ASP A 33 -4.455 10.982 -7.945 1.00 0.00 O ATOM 512 CB ASP A 33 -6.749 12.721 -8.168 1.00 0.00 C ATOM 513 CG ASP A 33 -6.332 12.393 -9.588 1.00 0.00 C ATOM 514 OD1 ASP A 33 -6.914 11.460 -10.184 1.00 0.00 O ATOM 515 OD2 ASP A 33 -5.425 13.067 -10.121 1.00 0.00 O ATOM 0 H ASP A 33 -6.717 12.281 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.251 10.686 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.761 13.126 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.097 13.500 -7.774 1.00 0.00 H new ATOM 520 N VAL A 34 -4.933 10.691 -5.777 1.00 0.00 N ATOM 521 CA VAL A 34 -3.582 10.265 -5.437 1.00 0.00 C ATOM 522 C VAL A 34 -3.561 8.791 -5.041 1.00 0.00 C ATOM 523 O VAL A 34 -4.071 8.418 -3.983 1.00 0.00 O ATOM 524 CB VAL A 34 -2.993 11.109 -4.285 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.585 10.649 -3.937 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.999 12.586 -4.645 1.00 0.00 C ATOM 0 H VAL A 34 -5.585 10.694 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.969 10.411 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.622 10.966 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.193 11.259 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.610 9.604 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.942 10.753 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.580 13.163 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.399 12.745 -5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.023 12.911 -4.832 1.00 0.00 H new ATOM 536 N LEU A 35 -2.993 7.960 -5.901 1.00 0.00 N ATOM 537 CA LEU A 35 -2.849 6.535 -5.622 1.00 0.00 C ATOM 538 C LEU A 35 -1.483 6.261 -5.008 1.00 0.00 C ATOM 539 O LEU A 35 -0.453 6.444 -5.657 1.00 0.00 O ATOM 540 CB LEU A 35 -3.023 5.721 -6.910 1.00 0.00 C ATOM 541 CG LEU A 35 -2.840 4.207 -6.763 1.00 0.00 C ATOM 542 CD1 LEU A 35 -3.880 3.629 -5.818 1.00 0.00 C ATOM 543 CD2 LEU A 35 -2.916 3.531 -8.126 1.00 0.00 C ATOM 0 H LEU A 35 -2.621 8.249 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.622 6.235 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.020 5.912 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.309 6.086 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.855 4.018 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.732 2.553 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.778 4.093 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.878 3.826 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.784 2.456 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.888 3.730 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.130 3.923 -8.771 1.00 0.00 H new ATOM 555 N PHE A 36 -1.479 5.834 -3.753 1.00 0.00 N ATOM 556 CA PHE A 36 -0.230 5.610 -3.036 1.00 0.00 C ATOM 557 C PHE A 36 0.087 4.123 -2.872 1.00 0.00 C ATOM 558 O PHE A 36 1.256 3.733 -2.870 1.00 0.00 O ATOM 559 CB PHE A 36 -0.255 6.315 -1.668 1.00 0.00 C ATOM 560 CG PHE A 36 -1.450 5.991 -0.811 1.00 0.00 C ATOM 561 CD1 PHE A 36 -2.627 6.713 -0.936 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.389 4.977 0.133 1.00 0.00 C ATOM 563 CE1 PHE A 36 -3.719 6.431 -0.138 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.479 4.688 0.932 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.643 5.415 0.796 1.00 0.00 C ATOM 0 H PHE A 36 -2.321 5.636 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 36 0.568 6.042 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.649 6.048 -1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.223 7.392 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.691 7.506 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.479 4.406 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.629 7.003 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.419 3.894 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.496 5.190 1.420 1.00 0.00 H new ATOM 575 N ALA A 37 -0.941 3.290 -2.750 1.00 0.00 N ATOM 576 CA ALA A 37 -0.729 1.862 -2.548 1.00 0.00 C ATOM 577 C ALA A 37 -1.945 1.057 -2.976 1.00 0.00 C ATOM 578 O ALA A 37 -3.065 1.563 -2.998 1.00 0.00 O ATOM 579 CB ALA A 37 -0.400 1.575 -1.089 1.00 0.00 C ATOM 0 H ALA A 37 -1.920 3.575 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 37 0.114 1.560 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.245 0.505 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.506 2.111 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.226 1.904 -0.458 1.00 0.00 H new ATOM 585 N MET A 38 -1.716 -0.198 -3.321 1.00 0.00 N ATOM 586 CA MET A 38 -2.791 -1.103 -3.698 1.00 0.00 C ATOM 587 C MET A 38 -2.558 -2.485 -3.092 1.00 0.00 C ATOM 588 O MET A 38 -1.537 -3.124 -3.357 1.00 0.00 O ATOM 589 CB MET A 38 -2.906 -1.217 -5.228 1.00 0.00 C ATOM 590 CG MET A 38 -1.610 -1.635 -5.914 1.00 0.00 C ATOM 591 SD MET A 38 -1.849 -2.228 -7.602 1.00 0.00 S ATOM 592 CE MET A 38 -2.400 -0.741 -8.437 1.00 0.00 C ATOM 0 H MET A 38 -0.787 -0.618 -3.348 1.00 0.00 H new ATOM 0 HA MET A 38 -3.725 -0.695 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.684 -1.940 -5.471 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.226 -0.256 -5.631 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.926 -0.787 -5.929 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.133 -2.419 -5.326 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.198 -0.827 -9.505 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.471 -0.611 -8.279 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.867 0.121 -8.035 1.00 0.00 H new ATOM 602 N VAL A 39 -3.493 -2.938 -2.266 1.00 0.00 N ATOM 603 CA VAL A 39 -3.424 -4.285 -1.709 1.00 0.00 C ATOM 604 C VAL A 39 -4.089 -5.250 -2.683 1.00 0.00 C ATOM 605 O VAL A 39 -5.131 -4.937 -3.258 1.00 0.00 O ATOM 606 CB VAL A 39 -4.073 -4.377 -0.304 1.00 0.00 C ATOM 607 CG1 VAL A 39 -5.562 -4.073 -0.351 1.00 0.00 C ATOM 608 CG2 VAL A 39 -3.823 -5.742 0.322 1.00 0.00 C ATOM 0 H VAL A 39 -4.304 -2.397 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.376 -4.553 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.601 -3.619 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.980 -4.148 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.715 -3.064 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.059 -4.789 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.288 -5.781 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.252 -6.517 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.750 -5.906 0.421 1.00 0.00 H new ATOM 618 N LYS A 40 -3.481 -6.399 -2.898 1.00 0.00 N ATOM 619 CA LYS A 40 -3.867 -7.252 -4.004 1.00 0.00 C ATOM 620 C LYS A 40 -3.544 -8.711 -3.729 1.00 0.00 C ATOM 621 O LYS A 40 -2.466 -9.036 -3.227 1.00 0.00 O ATOM 622 CB LYS A 40 -3.117 -6.783 -5.253 1.00 0.00 C ATOM 623 CG LYS A 40 -1.607 -6.761 -5.049 1.00 0.00 C ATOM 624 CD LYS A 40 -0.941 -5.601 -5.763 1.00 0.00 C ATOM 625 CE LYS A 40 -0.888 -5.807 -7.264 1.00 0.00 C ATOM 626 NZ LYS A 40 -0.173 -4.694 -7.938 1.00 0.00 N ATOM 0 H LYS A 40 -2.720 -6.763 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.945 -7.180 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.359 -7.441 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.459 -5.784 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.389 -6.701 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.181 -7.698 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.483 -4.681 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.071 -5.473 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.388 -6.750 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.901 -5.883 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.189 -5.020 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.828 -3.900 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.622 -4.382 -7.344 1.00 0.00 H new ATOM 640 N GLU A 41 -4.474 -9.590 -4.053 1.00 0.00 N ATOM 641 CA GLU A 41 -4.186 -11.006 -4.032 1.00 0.00 C ATOM 642 C GLU A 41 -3.743 -11.439 -5.415 1.00 0.00 C ATOM 643 O GLU A 41 -4.531 -11.466 -6.362 1.00 0.00 O ATOM 644 CB GLU A 41 -5.400 -11.828 -3.583 1.00 0.00 C ATOM 645 CG GLU A 41 -5.698 -11.747 -2.092 1.00 0.00 C ATOM 646 CD GLU A 41 -6.162 -10.374 -1.656 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.329 -10.030 -1.943 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.367 -9.647 -1.032 1.00 0.00 O ATOM 0 H GLU A 41 -5.425 -9.349 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.390 -11.186 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.277 -11.490 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.237 -12.871 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.464 -12.480 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.802 -12.016 -1.533 1.00 0.00 H new ATOM 655 N VAL A 42 -2.476 -11.771 -5.524 1.00 0.00 N ATOM 656 CA VAL A 42 -1.897 -12.197 -6.782 1.00 0.00 C ATOM 657 C VAL A 42 -1.214 -13.540 -6.579 1.00 0.00 C ATOM 658 O VAL A 42 -0.553 -13.750 -5.563 1.00 0.00 O ATOM 659 CB VAL A 42 -0.917 -11.135 -7.338 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.076 -10.700 -6.274 1.00 0.00 C ATOM 661 CG2 VAL A 42 -0.189 -11.651 -8.568 1.00 0.00 C ATOM 0 H VAL A 42 -1.817 -11.754 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.686 -12.309 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.505 -10.266 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.752 -9.954 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.461 -10.270 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.651 -11.563 -5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.492 -10.884 -8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.378 -12.545 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.914 -11.895 -9.344 1.00 0.00 H new ATOM 671 N GLU A 43 -1.427 -14.462 -7.523 1.00 0.00 N ATOM 672 CA GLU A 43 -1.027 -15.859 -7.345 1.00 0.00 C ATOM 673 C GLU A 43 -1.760 -16.438 -6.133 1.00 0.00 C ATOM 674 O GLU A 43 -1.305 -17.394 -5.500 1.00 0.00 O ATOM 675 CB GLU A 43 0.494 -15.981 -7.176 1.00 0.00 C ATOM 676 CG GLU A 43 1.286 -15.496 -8.384 1.00 0.00 C ATOM 677 CD GLU A 43 2.783 -15.676 -8.217 1.00 0.00 C ATOM 678 OE1 GLU A 43 3.257 -16.830 -8.293 1.00 0.00 O ATOM 679 OE2 GLU A 43 3.494 -14.670 -8.019 1.00 0.00 O ATOM 0 H GLU A 43 -1.874 -14.265 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.299 -16.425 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.800 -15.410 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.747 -17.023 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.956 -16.038 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.068 -14.442 -8.556 1.00 0.00 H new ATOM 686 N ASN A 44 -2.915 -15.825 -5.842 1.00 0.00 N ATOM 687 CA ASN A 44 -3.745 -16.155 -4.682 1.00 0.00 C ATOM 688 C ASN A 44 -2.972 -15.911 -3.385 1.00 0.00 C ATOM 689 O ASN A 44 -3.272 -16.482 -2.337 1.00 0.00 O ATOM 690 CB ASN A 44 -4.255 -17.598 -4.762 1.00 0.00 C ATOM 691 CG ASN A 44 -5.432 -17.855 -3.836 1.00 0.00 C ATOM 692 OD1 ASN A 44 -6.183 -16.941 -3.493 1.00 0.00 O ATOM 693 ND2 ASN A 44 -5.621 -19.108 -3.449 1.00 0.00 N ATOM 0 H ASN A 44 -3.302 -15.076 -6.416 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.616 -15.500 -4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.550 -17.819 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.443 -18.281 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.410 -19.342 -2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.978 -19.838 -3.754 1.00 0.00 H new ATOM 700 N ARG A 45 -1.977 -15.041 -3.465 1.00 0.00 N ATOM 701 CA ARG A 45 -1.191 -14.657 -2.307 1.00 0.00 C ATOM 702 C ARG A 45 -1.427 -13.188 -1.989 1.00 0.00 C ATOM 703 O ARG A 45 -1.440 -12.350 -2.891 1.00 0.00 O ATOM 704 CB ARG A 45 0.296 -14.887 -2.572 1.00 0.00 C ATOM 705 CG ARG A 45 0.662 -16.330 -2.877 1.00 0.00 C ATOM 706 CD ARG A 45 0.360 -17.243 -1.707 1.00 0.00 C ATOM 707 NE ARG A 45 1.023 -18.537 -1.850 1.00 0.00 N ATOM 708 CZ ARG A 45 1.472 -19.256 -0.825 1.00 0.00 C ATOM 709 NH1 ARG A 45 1.226 -18.874 0.423 1.00 0.00 N ATOM 710 NH2 ARG A 45 2.145 -20.376 -1.042 1.00 0.00 N ATOM 0 H ARG A 45 -1.694 -14.584 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.499 -15.269 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.605 -14.262 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.863 -14.557 -1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.110 -16.668 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.722 -16.392 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.684 -16.768 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.717 -17.392 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 45 1.149 -18.911 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.690 -18.025 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.573 -19.430 1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.320 -20.689 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.488 -20.926 -0.254 1.00 0.00 H new ATOM 724 N PRO A 46 -1.637 -12.860 -0.712 1.00 0.00 N ATOM 725 CA PRO A 46 -1.844 -11.477 -0.286 1.00 0.00 C ATOM 726 C PRO A 46 -0.566 -10.649 -0.399 1.00 0.00 C ATOM 727 O PRO A 46 0.460 -10.983 0.196 1.00 0.00 O ATOM 728 CB PRO A 46 -2.271 -11.613 1.178 1.00 0.00 C ATOM 729 CG PRO A 46 -1.702 -12.915 1.624 1.00 0.00 C ATOM 730 CD PRO A 46 -1.696 -13.808 0.414 1.00 0.00 C ATOM 0 HA PRO A 46 -2.577 -10.961 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.889 -10.788 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.357 -11.602 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.693 -12.785 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.302 -13.348 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.839 -14.482 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.590 -14.429 0.369 1.00 0.00 H new ATOM 738 N ALA A 47 -0.625 -9.585 -1.180 1.00 0.00 N ATOM 739 CA ALA A 47 0.514 -8.700 -1.359 1.00 0.00 C ATOM 740 C ALA A 47 0.044 -7.259 -1.481 1.00 0.00 C ATOM 741 O ALA A 47 -1.149 -6.995 -1.607 1.00 0.00 O ATOM 742 CB ALA A 47 1.310 -9.107 -2.592 1.00 0.00 C ATOM 0 H ALA A 47 -1.456 -9.311 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 47 1.163 -8.781 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.160 -8.436 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.669 -10.129 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.671 -9.048 -3.473 1.00 0.00 H new ATOM 748 N VAL A 48 0.978 -6.326 -1.441 1.00 0.00 N ATOM 749 CA VAL A 48 0.646 -4.923 -1.603 1.00 0.00 C ATOM 750 C VAL A 48 1.716 -4.210 -2.428 1.00 0.00 C ATOM 751 O VAL A 48 2.914 -4.416 -2.226 1.00 0.00 O ATOM 752 CB VAL A 48 0.455 -4.218 -0.234 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.694 -4.358 0.639 1.00 0.00 C ATOM 754 CG2 VAL A 48 0.094 -2.751 -0.424 1.00 0.00 C ATOM 0 H VAL A 48 1.970 -6.514 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.303 -4.869 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.372 -4.711 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.527 -3.853 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.895 -5.414 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.548 -3.907 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.035 -2.279 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.893 -2.247 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.835 -2.675 -0.989 1.00 0.00 H new ATOM 764 N SER A 49 1.271 -3.405 -3.382 1.00 0.00 N ATOM 765 CA SER A 49 2.177 -2.623 -4.207 1.00 0.00 C ATOM 766 C SER A 49 2.121 -1.154 -3.800 1.00 0.00 C ATOM 767 O SER A 49 1.061 -0.530 -3.848 1.00 0.00 O ATOM 768 CB SER A 49 1.819 -2.766 -5.689 1.00 0.00 C ATOM 769 OG SER A 49 1.894 -4.121 -6.113 1.00 0.00 O ATOM 0 H SER A 49 0.284 -3.277 -3.604 1.00 0.00 H new ATOM 0 HA SER A 49 3.189 -2.999 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.812 -2.385 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.496 -2.158 -6.289 1.00 0.00 H new ATOM 0 HG SER A 49 2.833 -4.399 -6.154 1.00 0.00 H new ATOM 775 N LEU A 50 3.259 -0.620 -3.384 1.00 0.00 N ATOM 776 CA LEU A 50 3.362 0.777 -3.000 1.00 0.00 C ATOM 777 C LEU A 50 3.933 1.586 -4.158 1.00 0.00 C ATOM 778 O LEU A 50 4.755 1.084 -4.932 1.00 0.00 O ATOM 779 CB LEU A 50 4.256 0.951 -1.759 1.00 0.00 C ATOM 780 CG LEU A 50 3.736 0.342 -0.445 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.780 -1.182 -0.474 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.553 0.866 0.723 1.00 0.00 C ATOM 0 H LEU A 50 4.132 -1.141 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 50 2.363 1.136 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.230 0.512 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.415 2.018 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 50 2.694 0.640 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.405 -1.575 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.159 -1.548 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.808 -1.514 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.181 0.432 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.599 0.591 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.466 1.952 0.770 1.00 0.00 H new ATOM 794 N LYS A 51 3.483 2.822 -4.291 1.00 0.00 N ATOM 795 CA LYS A 51 3.986 3.704 -5.335 1.00 0.00 C ATOM 796 C LYS A 51 5.107 4.585 -4.786 1.00 0.00 C ATOM 797 O LYS A 51 5.896 5.153 -5.545 1.00 0.00 O ATOM 798 CB LYS A 51 2.848 4.577 -5.881 1.00 0.00 C ATOM 799 CG LYS A 51 3.233 5.466 -7.062 1.00 0.00 C ATOM 800 CD LYS A 51 3.339 4.686 -8.370 1.00 0.00 C ATOM 801 CE LYS A 51 4.616 3.860 -8.458 1.00 0.00 C ATOM 802 NZ LYS A 51 5.829 4.715 -8.537 1.00 0.00 N ATOM 0 H LYS A 51 2.771 3.239 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 51 4.384 3.096 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.026 3.929 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.475 5.209 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.492 6.258 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.187 5.950 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.477 4.026 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.303 5.382 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.687 3.209 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.570 3.214 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.631 4.149 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.656 5.503 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.050 5.092 -7.593 1.00 0.00 H new ATOM 816 N THR A 52 5.175 4.683 -3.467 1.00 0.00 N ATOM 817 CA THR A 52 6.146 5.542 -2.810 1.00 0.00 C ATOM 818 C THR A 52 6.952 4.741 -1.779 1.00 0.00 C ATOM 819 O THR A 52 6.997 3.514 -1.855 1.00 0.00 O ATOM 820 CB THR A 52 5.428 6.731 -2.129 1.00 0.00 C ATOM 821 OG1 THR A 52 4.214 7.029 -2.835 1.00 0.00 O ATOM 822 CG2 THR A 52 6.308 7.973 -2.120 1.00 0.00 C ATOM 0 H THR A 52 4.564 4.174 -2.828 1.00 0.00 H new ATOM 0 HA THR A 52 6.835 5.933 -3.559 1.00 0.00 H new ATOM 0 HB THR A 52 5.209 6.448 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.760 7.781 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.777 8.792 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.228 7.763 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.551 8.254 -3.145 1.00 0.00 H new ATOM 830 N SER A 53 7.573 5.452 -0.831 1.00 0.00 N ATOM 831 CA SER A 53 8.421 4.863 0.207 1.00 0.00 C ATOM 832 C SER A 53 9.783 4.452 -0.348 1.00 0.00 C ATOM 833 O SER A 53 9.896 3.537 -1.164 1.00 0.00 O ATOM 834 CB SER A 53 7.742 3.670 0.890 1.00 0.00 C ATOM 835 OG SER A 53 8.557 3.144 1.924 1.00 0.00 O ATOM 0 H SER A 53 7.498 6.467 -0.764 1.00 0.00 H new ATOM 0 HA SER A 53 8.577 5.637 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.782 3.981 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.537 2.893 0.153 1.00 0.00 H new ATOM 0 HG SER A 53 8.007 2.963 2.714 1.00 0.00 H new ATOM 841 N PRO A 54 10.846 5.132 0.105 1.00 0.00 N ATOM 842 CA PRO A 54 12.214 4.821 -0.294 1.00 0.00 C ATOM 843 C PRO A 54 12.742 3.575 0.407 1.00 0.00 C ATOM 844 O PRO A 54 13.676 2.928 -0.068 1.00 0.00 O ATOM 845 CB PRO A 54 13.020 6.056 0.138 1.00 0.00 C ATOM 846 CG PRO A 54 12.017 7.059 0.612 1.00 0.00 C ATOM 847 CD PRO A 54 10.800 6.278 1.016 1.00 0.00 C ATOM 0 HA PRO A 54 12.284 4.611 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.724 5.804 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.604 6.451 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.408 7.633 1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.777 7.772 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.844 5.969 2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.885 6.858 0.893 1.00 0.00 H new ATOM 855 N GLU A 55 12.131 3.236 1.535 1.00 0.00 N ATOM 856 CA GLU A 55 12.574 2.097 2.323 1.00 0.00 C ATOM 857 C GLU A 55 12.147 0.789 1.659 1.00 0.00 C ATOM 858 O GLU A 55 12.880 -0.200 1.686 1.00 0.00 O ATOM 859 CB GLU A 55 12.023 2.183 3.747 1.00 0.00 C ATOM 860 CG GLU A 55 12.729 1.258 4.728 1.00 0.00 C ATOM 861 CD GLU A 55 12.246 1.435 6.152 1.00 0.00 C ATOM 862 OE1 GLU A 55 12.371 2.555 6.694 1.00 0.00 O ATOM 863 OE2 GLU A 55 11.736 0.460 6.735 1.00 0.00 O ATOM 0 H GLU A 55 11.329 3.733 1.923 1.00 0.00 H new ATOM 0 HA GLU A 55 13.663 2.116 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.111 3.210 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.960 1.941 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.573 0.224 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.802 1.444 4.687 1.00 0.00 H new ATOM 870 N LEU A 56 10.965 0.790 1.048 1.00 0.00 N ATOM 871 CA LEU A 56 10.500 -0.372 0.297 1.00 0.00 C ATOM 872 C LEU A 56 11.426 -0.646 -0.881 1.00 0.00 C ATOM 873 O LEU A 56 11.687 -1.798 -1.224 1.00 0.00 O ATOM 874 CB LEU A 56 9.062 -0.173 -0.194 1.00 0.00 C ATOM 875 CG LEU A 56 7.969 -0.734 0.724 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.097 -2.246 0.846 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.024 -0.082 2.098 1.00 0.00 C ATOM 0 H LEU A 56 10.316 1.577 1.058 1.00 0.00 H new ATOM 0 HA LEU A 56 10.514 -1.233 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.887 0.894 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.963 -0.639 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 56 7.002 -0.503 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.313 -2.626 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.998 -2.700 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.072 -2.496 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.239 -0.497 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.996 -0.274 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.877 0.993 1.997 1.00 0.00 H new ATOM 889 N ALA A 57 11.933 0.424 -1.479 1.00 0.00 N ATOM 890 CA ALA A 57 12.890 0.306 -2.565 1.00 0.00 C ATOM 891 C ALA A 57 14.163 -0.382 -2.083 1.00 0.00 C ATOM 892 O ALA A 57 14.732 -1.209 -2.786 1.00 0.00 O ATOM 893 CB ALA A 57 13.205 1.678 -3.146 1.00 0.00 C ATOM 0 H ALA A 57 11.695 1.384 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 57 12.449 -0.306 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.924 1.573 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.290 2.131 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.628 2.314 -2.368 1.00 0.00 H new ATOM 899 N GLU A 58 14.592 -0.050 -0.870 1.00 0.00 N ATOM 900 CA GLU A 58 15.768 -0.670 -0.271 1.00 0.00 C ATOM 901 C GLU A 58 15.591 -2.179 -0.148 1.00 0.00 C ATOM 902 O GLU A 58 16.469 -2.953 -0.540 1.00 0.00 O ATOM 903 CB GLU A 58 16.041 -0.058 1.100 1.00 0.00 C ATOM 904 CG GLU A 58 16.573 1.362 1.028 1.00 0.00 C ATOM 905 CD GLU A 58 17.973 1.433 0.449 1.00 0.00 C ATOM 906 OE1 GLU A 58 18.158 1.075 -0.729 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.897 1.843 1.182 1.00 0.00 O ATOM 0 H GLU A 58 14.140 0.649 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 58 16.621 -0.482 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.120 -0.065 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.760 -0.681 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.901 1.967 0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.575 1.796 2.028 1.00 0.00 H new ATOM 914 N LEU A 59 14.447 -2.592 0.386 1.00 0.00 N ATOM 915 CA LEU A 59 14.121 -4.011 0.497 1.00 0.00 C ATOM 916 C LEU A 59 14.069 -4.656 -0.885 1.00 0.00 C ATOM 917 O LEU A 59 14.401 -5.826 -1.047 1.00 0.00 O ATOM 918 CB LEU A 59 12.784 -4.216 1.223 1.00 0.00 C ATOM 919 CG LEU A 59 12.848 -4.238 2.758 1.00 0.00 C ATOM 920 CD1 LEU A 59 13.301 -2.897 3.310 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.495 -4.621 3.339 1.00 0.00 C ATOM 0 H LEU A 59 13.729 -1.965 0.749 1.00 0.00 H new ATOM 0 HA LEU A 59 14.906 -4.489 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.102 -3.422 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.349 -5.156 0.884 1.00 0.00 H new ATOM 0 HG LEU A 59 13.583 -4.987 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.336 -2.945 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.293 -2.661 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.599 -2.121 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.556 -4.632 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.745 -3.894 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.213 -5.611 2.981 1.00 0.00 H new ATOM 933 N LEU A 60 13.672 -3.877 -1.879 1.00 0.00 N ATOM 934 CA LEU A 60 13.586 -4.356 -3.250 1.00 0.00 C ATOM 935 C LEU A 60 14.975 -4.535 -3.868 1.00 0.00 C ATOM 936 O LEU A 60 15.225 -5.507 -4.582 1.00 0.00 O ATOM 937 CB LEU A 60 12.758 -3.381 -4.092 1.00 0.00 C ATOM 938 CG LEU A 60 12.572 -3.773 -5.557 1.00 0.00 C ATOM 939 CD1 LEU A 60 11.755 -5.052 -5.671 1.00 0.00 C ATOM 940 CD2 LEU A 60 11.917 -2.636 -6.327 1.00 0.00 C ATOM 0 H LEU A 60 13.402 -2.901 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 60 13.097 -5.330 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.774 -3.277 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.233 -2.401 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 60 13.552 -3.963 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.634 -5.314 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.271 -5.860 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.775 -4.899 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.790 -2.928 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.943 -2.415 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.548 -1.749 -6.273 1.00 0.00 H new ATOM 952 N ARG A 61 15.880 -3.601 -3.596 1.00 0.00 N ATOM 953 CA ARG A 61 17.217 -3.660 -4.179 1.00 0.00 C ATOM 954 C ARG A 61 18.049 -4.750 -3.514 1.00 0.00 C ATOM 955 O ARG A 61 18.622 -5.608 -4.188 1.00 0.00 O ATOM 956 CB ARG A 61 17.957 -2.327 -4.034 1.00 0.00 C ATOM 957 CG ARG A 61 17.159 -1.100 -4.435 1.00 0.00 C ATOM 958 CD ARG A 61 16.683 -1.160 -5.874 1.00 0.00 C ATOM 959 NE ARG A 61 16.035 0.088 -6.259 1.00 0.00 N ATOM 960 CZ ARG A 61 15.286 0.249 -7.343 1.00 0.00 C ATOM 961 NH1 ARG A 61 15.067 -0.763 -8.175 1.00 0.00 N ATOM 962 NH2 ARG A 61 14.750 1.436 -7.591 1.00 0.00 N ATOM 0 H ARG A 61 15.716 -2.802 -2.983 1.00 0.00 H new ATOM 0 HA ARG A 61 17.088 -3.883 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.270 -2.214 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 61 18.863 -2.365 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.297 -0.999 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 61 17.773 -0.210 -4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.529 -1.354 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.986 -1.989 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 61 16.167 0.896 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.476 -1.678 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.489 -0.626 -9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.915 2.214 -6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.173 1.572 -8.421 1.00 0.00 H new ATOM 976 N GLN A 62 18.079 -4.727 -2.187 1.00 0.00 N ATOM 977 CA GLN A 62 18.920 -5.636 -1.417 1.00 0.00 C ATOM 978 C GLN A 62 18.280 -7.016 -1.303 1.00 0.00 C ATOM 979 O GLN A 62 18.879 -8.021 -1.685 1.00 0.00 O ATOM 980 CB GLN A 62 19.196 -5.067 -0.015 1.00 0.00 C ATOM 981 CG GLN A 62 20.269 -3.982 0.032 1.00 0.00 C ATOM 982 CD GLN A 62 19.879 -2.703 -0.686 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.132 -2.547 -1.879 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.273 -1.773 0.037 1.00 0.00 N ATOM 0 H GLN A 62 17.527 -4.085 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 62 19.866 -5.739 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.268 -4.659 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.495 -5.884 0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.492 -3.749 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.186 -4.371 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.080 -1.940 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.999 -0.890 -0.394 1.00 0.00 H new ATOM 993 N GLN A 63 17.055 -7.053 -0.802 1.00 0.00 N ATOM 994 CA GLN A 63 16.355 -8.311 -0.566 1.00 0.00 C ATOM 995 C GLN A 63 15.494 -8.682 -1.770 1.00 0.00 C ATOM 996 O GLN A 63 14.302 -8.959 -1.637 1.00 0.00 O ATOM 997 CB GLN A 63 15.488 -8.194 0.690 1.00 0.00 C ATOM 998 CG GLN A 63 16.285 -7.895 1.949 1.00 0.00 C ATOM 999 CD GLN A 63 17.121 -9.071 2.416 1.00 0.00 C ATOM 1000 OE1 GLN A 63 17.538 -9.913 1.618 1.00 0.00 O ATOM 1001 NE2 GLN A 63 17.390 -9.126 3.709 1.00 0.00 N ATOM 0 H GLN A 63 16.520 -6.222 -0.549 1.00 0.00 H new ATOM 0 HA GLN A 63 17.093 -9.100 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.750 -7.406 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.937 -9.124 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.939 -7.043 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.600 -7.605 2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.026 -8.409 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.962 -9.885 4.079 1.00 0.00 H new ATOM 1010 N HIS A 64 16.125 -8.734 -2.941 1.00 0.00 N ATOM 1011 CA HIS A 64 15.418 -8.949 -4.207 1.00 0.00 C ATOM 1012 C HIS A 64 15.022 -10.414 -4.408 1.00 0.00 C ATOM 1013 O HIS A 64 15.169 -10.963 -5.497 1.00 0.00 O ATOM 1014 CB HIS A 64 16.269 -8.456 -5.393 1.00 0.00 C ATOM 1015 CG HIS A 64 17.679 -8.980 -5.426 1.00 0.00 C ATOM 1016 ND1 HIS A 64 18.763 -8.240 -5.000 1.00 0.00 N ATOM 1017 CD2 HIS A 64 18.183 -10.161 -5.859 1.00 0.00 C ATOM 1018 CE1 HIS A 64 19.866 -8.943 -5.171 1.00 0.00 C ATOM 1019 NE2 HIS A 64 19.545 -10.111 -5.690 1.00 0.00 N ATOM 0 H HIS A 64 17.135 -8.629 -3.042 1.00 0.00 H new ATOM 0 HA HIS A 64 14.497 -8.367 -4.163 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.771 -8.739 -6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 64 16.303 -7.367 -5.368 1.00 0.00 H new ATOM 0 HD1 HIS A 64 18.718 -7.297 -4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 64 17.618 -10.988 -6.262 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.866 -8.616 -4.926 1.00 0.00 H new ATOM 1028 N SER A 65 14.501 -11.022 -3.356 1.00 0.00 N ATOM 1029 CA SER A 65 14.014 -12.388 -3.412 1.00 0.00 C ATOM 1030 C SER A 65 13.161 -12.662 -2.174 1.00 0.00 C ATOM 1031 O SER A 65 12.115 -13.307 -2.253 1.00 0.00 O ATOM 1032 CB SER A 65 15.187 -13.375 -3.493 1.00 0.00 C ATOM 1033 OG SER A 65 14.764 -14.647 -3.952 1.00 0.00 O ATOM 0 H SER A 65 14.404 -10.583 -2.441 1.00 0.00 H new ATOM 0 HA SER A 65 13.406 -12.522 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.950 -12.980 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.647 -13.476 -2.510 1.00 0.00 H new ATOM 0 HG SER A 65 15.534 -15.252 -3.994 1.00 0.00 H new ATOM 1039 N ASP A 66 13.609 -12.134 -1.039 1.00 0.00 N ATOM 1040 CA ASP A 66 12.883 -12.264 0.220 1.00 0.00 C ATOM 1041 C ASP A 66 11.545 -11.531 0.164 1.00 0.00 C ATOM 1042 O ASP A 66 10.512 -12.075 0.553 1.00 0.00 O ATOM 1043 CB ASP A 66 13.730 -11.718 1.372 1.00 0.00 C ATOM 1044 CG ASP A 66 13.039 -11.832 2.717 1.00 0.00 C ATOM 1045 OD1 ASP A 66 13.056 -12.932 3.308 1.00 0.00 O ATOM 1046 OD2 ASP A 66 12.489 -10.824 3.196 1.00 0.00 O ATOM 0 H ASP A 66 14.479 -11.607 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 66 12.684 -13.322 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.676 -12.258 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.967 -10.672 1.178 1.00 0.00 H new ATOM 1051 N VAL A 67 11.569 -10.296 -0.327 1.00 0.00 N ATOM 1052 CA VAL A 67 10.355 -9.492 -0.420 1.00 0.00 C ATOM 1053 C VAL A 67 9.449 -9.999 -1.545 1.00 0.00 C ATOM 1054 O VAL A 67 8.234 -10.106 -1.368 1.00 0.00 O ATOM 1055 CB VAL A 67 10.680 -7.986 -0.620 1.00 0.00 C ATOM 1056 CG1 VAL A 67 11.448 -7.740 -1.914 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.414 -7.146 -0.591 1.00 0.00 C ATOM 0 H VAL A 67 12.412 -9.832 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 67 9.823 -9.595 0.526 1.00 0.00 H new ATOM 0 HB VAL A 67 11.318 -7.684 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.656 -6.675 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.387 -8.292 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.851 -8.076 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.671 -6.096 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.746 -7.468 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.917 -7.271 0.371 1.00 0.00 H new ATOM 1067 N ARG A 68 10.068 -10.347 -2.679 1.00 0.00 N ATOM 1068 CA ARG A 68 9.363 -10.839 -3.866 1.00 0.00 C ATOM 1069 C ARG A 68 8.340 -9.822 -4.390 1.00 0.00 C ATOM 1070 O ARG A 68 7.259 -9.659 -3.830 1.00 0.00 O ATOM 1071 CB ARG A 68 8.695 -12.197 -3.599 1.00 0.00 C ATOM 1072 CG ARG A 68 8.011 -12.781 -4.827 1.00 0.00 C ATOM 1073 CD ARG A 68 7.591 -14.229 -4.616 1.00 0.00 C ATOM 1074 NE ARG A 68 6.629 -14.393 -3.522 1.00 0.00 N ATOM 1075 CZ ARG A 68 5.591 -15.234 -3.566 1.00 0.00 C ATOM 1076 NH1 ARG A 68 5.315 -15.897 -4.684 1.00 0.00 N ATOM 1077 NH2 ARG A 68 4.810 -15.399 -2.502 1.00 0.00 N ATOM 0 H ARG A 68 11.080 -10.294 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 68 10.114 -10.978 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.447 -12.900 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.960 -12.083 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.134 -12.182 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.686 -12.721 -5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.153 -14.613 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.475 -14.831 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 68 6.759 -13.833 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.896 -15.765 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.522 -16.538 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.001 -14.882 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.020 -16.043 -2.544 1.00 0.00 H new ATOM 1091 N PRO A 69 8.682 -9.120 -5.483 1.00 0.00 N ATOM 1092 CA PRO A 69 7.775 -8.164 -6.121 1.00 0.00 C ATOM 1093 C PRO A 69 6.736 -8.856 -7.006 1.00 0.00 C ATOM 1094 O PRO A 69 6.738 -10.081 -7.141 1.00 0.00 O ATOM 1095 CB PRO A 69 8.719 -7.312 -6.968 1.00 0.00 C ATOM 1096 CG PRO A 69 9.834 -8.235 -7.331 1.00 0.00 C ATOM 1097 CD PRO A 69 9.979 -9.199 -6.181 1.00 0.00 C ATOM 0 HA PRO A 69 7.194 -7.594 -5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.217 -6.928 -7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.084 -6.450 -6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.613 -8.766 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.759 -7.682 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.183 -10.211 -6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.803 -8.917 -5.525 1.00 0.00 H new ATOM 1105 N SER A 70 5.859 -8.070 -7.620 1.00 0.00 N ATOM 1106 CA SER A 70 4.821 -8.620 -8.477 1.00 0.00 C ATOM 1107 C SER A 70 5.312 -8.712 -9.922 1.00 0.00 C ATOM 1108 O SER A 70 5.510 -7.699 -10.594 1.00 0.00 O ATOM 1109 CB SER A 70 3.540 -7.779 -8.377 1.00 0.00 C ATOM 1110 OG SER A 70 3.810 -6.390 -8.497 1.00 0.00 O ATOM 0 H SER A 70 5.848 -7.053 -7.539 1.00 0.00 H new ATOM 0 HA SER A 70 4.587 -9.629 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.844 -8.083 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.051 -7.973 -7.422 1.00 0.00 H new ATOM 0 HG SER A 70 4.426 -6.240 -9.244 1.00 0.00 H new ATOM 1116 N ARG A 71 5.504 -9.945 -10.384 1.00 0.00 N ATOM 1117 CA ARG A 71 6.048 -10.221 -11.714 1.00 0.00 C ATOM 1118 C ARG A 71 5.142 -9.688 -12.830 1.00 0.00 C ATOM 1119 O ARG A 71 5.602 -9.417 -13.940 1.00 0.00 O ATOM 1120 CB ARG A 71 6.238 -11.732 -11.882 1.00 0.00 C ATOM 1121 CG ARG A 71 6.820 -12.136 -13.225 1.00 0.00 C ATOM 1122 CD ARG A 71 6.861 -13.645 -13.387 1.00 0.00 C ATOM 1123 NE ARG A 71 7.739 -14.284 -12.408 1.00 0.00 N ATOM 1124 CZ ARG A 71 8.772 -15.053 -12.742 1.00 0.00 C ATOM 1125 NH1 ARG A 71 9.030 -15.296 -14.022 1.00 0.00 N ATOM 1126 NH2 ARG A 71 9.533 -15.589 -11.797 1.00 0.00 N ATOM 0 H ARG A 71 5.287 -10.784 -9.846 1.00 0.00 H new ATOM 0 HA ARG A 71 7.006 -9.707 -11.795 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.892 -12.096 -11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.275 -12.226 -11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.224 -11.700 -14.026 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.828 -11.732 -13.322 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.853 -14.047 -13.285 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.202 -13.891 -14.393 1.00 0.00 H new ATOM 0 HE ARG A 71 7.550 -14.132 -11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.437 -14.893 -14.747 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.822 -15.885 -14.280 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.326 -15.412 -10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.325 -16.179 -12.053 1.00 0.00 H new ATOM 1140 N HIS A 72 3.858 -9.540 -12.531 1.00 0.00 N ATOM 1141 CA HIS A 72 2.882 -9.111 -13.531 1.00 0.00 C ATOM 1142 C HIS A 72 3.048 -7.627 -13.868 1.00 0.00 C ATOM 1143 O HIS A 72 2.591 -7.171 -14.914 1.00 0.00 O ATOM 1144 CB HIS A 72 1.457 -9.388 -13.031 1.00 0.00 C ATOM 1145 CG HIS A 72 0.388 -9.187 -14.067 1.00 0.00 C ATOM 1146 ND1 HIS A 72 -0.096 -10.207 -14.858 1.00 0.00 N ATOM 1147 CD2 HIS A 72 -0.311 -8.082 -14.419 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -1.038 -9.735 -15.651 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -1.189 -8.449 -15.405 1.00 0.00 N ATOM 0 H HIS A 72 3.466 -9.710 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 72 3.057 -9.683 -14.442 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.405 -10.414 -12.667 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.250 -8.738 -12.181 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.197 -7.093 -14.000 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.593 -10.307 -16.380 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.851 -7.829 -15.872 1.00 0.00 H new ATOM 1158 N LEU A 73 3.703 -6.879 -12.991 1.00 0.00 N ATOM 1159 CA LEU A 73 3.871 -5.446 -13.199 1.00 0.00 C ATOM 1160 C LEU A 73 5.348 -5.069 -13.225 1.00 0.00 C ATOM 1161 O LEU A 73 6.223 -5.934 -13.143 1.00 0.00 O ATOM 1162 CB LEU A 73 3.146 -4.647 -12.107 1.00 0.00 C ATOM 1163 CG LEU A 73 1.613 -4.743 -12.116 1.00 0.00 C ATOM 1164 CD1 LEU A 73 1.023 -3.878 -11.014 1.00 0.00 C ATOM 1165 CD2 LEU A 73 1.055 -4.333 -13.474 1.00 0.00 C ATOM 0 H LEU A 73 4.125 -7.237 -12.134 1.00 0.00 H new ATOM 0 HA LEU A 73 3.431 -5.198 -14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.507 -4.985 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.426 -3.598 -12.204 1.00 0.00 H new ATOM 0 HG LEU A 73 1.332 -5.780 -11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.064 -3.956 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.395 -4.217 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.315 -2.840 -11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.032 -4.408 -13.458 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.344 -3.305 -13.691 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.453 -4.992 -14.245 1.00 0.00 H new ATOM 1177 N ASN A 74 5.612 -3.776 -13.356 1.00 0.00 N ATOM 1178 CA ASN A 74 6.977 -3.264 -13.347 1.00 0.00 C ATOM 1179 C ASN A 74 7.564 -3.328 -11.947 1.00 0.00 C ATOM 1180 O ASN A 74 7.255 -2.494 -11.093 1.00 0.00 O ATOM 1181 CB ASN A 74 7.018 -1.823 -13.856 1.00 0.00 C ATOM 1182 CG ASN A 74 6.915 -1.728 -15.364 1.00 0.00 C ATOM 1183 OD1 ASN A 74 5.819 -1.738 -15.922 1.00 0.00 O ATOM 1184 ND2 ASN A 74 8.052 -1.601 -16.034 1.00 0.00 N ATOM 0 H ASN A 74 4.896 -3.059 -13.470 1.00 0.00 H new ATOM 0 HA ASN A 74 7.573 -3.890 -14.011 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.201 -1.260 -13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.946 -1.354 -13.530 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.038 -1.507 -17.050 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.941 -1.597 -15.534 1.00 0.00 H new ATOM 1191 N LYS A 75 8.410 -4.323 -11.719 1.00 0.00 N ATOM 1192 CA LYS A 75 9.044 -4.517 -10.422 1.00 0.00 C ATOM 1193 C LYS A 75 10.026 -3.390 -10.120 1.00 0.00 C ATOM 1194 O LYS A 75 10.319 -3.107 -8.964 1.00 0.00 O ATOM 1195 CB LYS A 75 9.753 -5.875 -10.372 1.00 0.00 C ATOM 1196 CG LYS A 75 10.746 -6.087 -11.501 1.00 0.00 C ATOM 1197 CD LYS A 75 11.338 -7.483 -11.469 1.00 0.00 C ATOM 1198 CE LYS A 75 12.211 -7.734 -12.689 1.00 0.00 C ATOM 1199 NZ LYS A 75 11.429 -7.675 -13.954 1.00 0.00 N ATOM 0 H LYS A 75 8.675 -5.014 -12.421 1.00 0.00 H new ATOM 0 HA LYS A 75 8.267 -4.501 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.274 -5.968 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.005 -6.667 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.250 -5.923 -12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.546 -5.350 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.929 -7.610 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.537 -8.221 -11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.010 -6.994 -12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.685 -8.711 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.965 -8.139 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.520 -8.163 -13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.255 -6.682 -14.209 1.00 0.00 H new ATOM 1213 N ALA A 76 10.528 -2.746 -11.167 1.00 0.00 N ATOM 1214 CA ALA A 76 11.446 -1.626 -11.007 1.00 0.00 C ATOM 1215 C ALA A 76 10.738 -0.302 -11.290 1.00 0.00 C ATOM 1216 O ALA A 76 11.302 0.599 -11.911 1.00 0.00 O ATOM 1217 CB ALA A 76 12.648 -1.797 -11.924 1.00 0.00 C ATOM 0 H ALA A 76 10.314 -2.981 -12.136 1.00 0.00 H new ATOM 0 HA ALA A 76 11.795 -1.609 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.327 -0.954 -11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.167 -2.722 -11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.312 -1.838 -12.960 1.00 0.00 H new ATOM 1223 N HIS A 77 9.499 -0.191 -10.831 1.00 0.00 N ATOM 1224 CA HIS A 77 8.724 1.036 -10.993 1.00 0.00 C ATOM 1225 C HIS A 77 7.720 1.140 -9.855 1.00 0.00 C ATOM 1226 O HIS A 77 7.453 2.223 -9.331 1.00 0.00 O ATOM 1227 CB HIS A 77 8.012 1.047 -12.347 1.00 0.00 C ATOM 1228 CG HIS A 77 7.894 2.411 -12.960 1.00 0.00 C ATOM 1229 ND1 HIS A 77 6.689 2.993 -13.279 1.00 0.00 N ATOM 1230 CD2 HIS A 77 8.846 3.291 -13.350 1.00 0.00 C ATOM 1231 CE1 HIS A 77 6.903 4.169 -13.840 1.00 0.00 C ATOM 1232 NE2 HIS A 77 8.204 4.378 -13.896 1.00 0.00 N ATOM 0 H HIS A 77 9.006 -0.938 -10.341 1.00 0.00 H new ATOM 0 HA HIS A 77 9.393 1.896 -10.964 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.551 0.395 -13.035 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.014 0.626 -12.225 1.00 0.00 H new ATOM 0 HD2 HIS A 77 9.914 3.163 -13.251 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.140 4.847 -14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.658 5.207 -14.280 1.00 0.00 H new ATOM 1241 N TRP A 78 7.161 -0.003 -9.492 1.00 0.00 N ATOM 1242 CA TRP A 78 6.379 -0.132 -8.278 1.00 0.00 C ATOM 1243 C TRP A 78 7.174 -0.940 -7.268 1.00 0.00 C ATOM 1244 O TRP A 78 8.204 -1.516 -7.605 1.00 0.00 O ATOM 1245 CB TRP A 78 5.045 -0.832 -8.555 1.00 0.00 C ATOM 1246 CG TRP A 78 4.005 0.057 -9.162 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.969 0.529 -10.442 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.839 0.576 -8.510 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.860 1.316 -10.621 1.00 0.00 N ATOM 1250 CE2 TRP A 78 2.148 1.357 -9.454 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.312 0.455 -7.221 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.960 2.017 -9.147 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.132 1.107 -6.919 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.466 1.878 -7.878 1.00 0.00 C ATOM 0 H TRP A 78 7.238 -0.865 -10.031 1.00 0.00 H new ATOM 0 HA TRP A 78 6.167 0.863 -7.888 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.221 -1.676 -9.222 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.659 -1.239 -7.620 1.00 0.00 H new ATOM 0 HD1 TRP A 78 4.705 0.314 -11.202 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.607 1.794 -11.486 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.819 -0.138 -6.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.447 2.617 -9.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.717 1.020 -5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.456 2.373 -7.612 1.00 0.00 H new ATOM 1265 N SER A 79 6.704 -0.989 -6.043 1.00 0.00 N ATOM 1266 CA SER A 79 7.321 -1.832 -5.041 1.00 0.00 C ATOM 1267 C SER A 79 6.269 -2.747 -4.447 1.00 0.00 C ATOM 1268 O SER A 79 5.222 -2.292 -4.001 1.00 0.00 O ATOM 1269 CB SER A 79 7.967 -0.982 -3.951 1.00 0.00 C ATOM 1270 OG SER A 79 8.835 -0.016 -4.514 1.00 0.00 O ATOM 0 H SER A 79 5.898 -0.457 -5.715 1.00 0.00 H new ATOM 0 HA SER A 79 8.103 -2.433 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.194 -0.485 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.523 -1.622 -3.266 1.00 0.00 H new ATOM 0 HG SER A 79 9.237 0.519 -3.798 1.00 0.00 H new ATOM 1276 N THR A 80 6.535 -4.037 -4.466 1.00 0.00 N ATOM 1277 CA THR A 80 5.559 -5.015 -4.018 1.00 0.00 C ATOM 1278 C THR A 80 6.168 -5.956 -2.995 1.00 0.00 C ATOM 1279 O THR A 80 7.249 -6.500 -3.208 1.00 0.00 O ATOM 1280 CB THR A 80 5.010 -5.837 -5.202 1.00 0.00 C ATOM 1281 OG1 THR A 80 4.559 -4.954 -6.239 1.00 0.00 O ATOM 1282 CG2 THR A 80 3.857 -6.731 -4.763 1.00 0.00 C ATOM 0 H THR A 80 7.418 -4.435 -4.786 1.00 0.00 H new ATOM 0 HA THR A 80 4.738 -4.466 -3.558 1.00 0.00 H new ATOM 0 HB THR A 80 5.815 -6.469 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.286 -5.479 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.490 -7.298 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.204 -7.420 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.051 -6.115 -4.364 1.00 0.00 H new ATOM 1290 N VAL A 81 5.477 -6.121 -1.885 1.00 0.00 N ATOM 1291 CA VAL A 81 5.897 -7.055 -0.861 1.00 0.00 C ATOM 1292 C VAL A 81 4.825 -8.122 -0.657 1.00 0.00 C ATOM 1293 O VAL A 81 3.660 -7.809 -0.388 1.00 0.00 O ATOM 1294 CB VAL A 81 6.208 -6.329 0.473 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.086 -5.386 0.866 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.471 -7.332 1.587 1.00 0.00 C ATOM 0 H VAL A 81 4.617 -5.617 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 81 6.817 -7.536 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 81 7.109 -5.735 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.337 -4.894 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.952 -4.635 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.162 -5.951 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.687 -6.799 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.591 -7.960 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.324 -7.956 1.321 1.00 0.00 H new ATOM 1306 N TYR A 82 5.209 -9.376 -0.839 1.00 0.00 N ATOM 1307 CA TYR A 82 4.297 -10.486 -0.622 1.00 0.00 C ATOM 1308 C TYR A 82 4.137 -10.764 0.866 1.00 0.00 C ATOM 1309 O TYR A 82 5.098 -11.097 1.562 1.00 0.00 O ATOM 1310 CB TYR A 82 4.783 -11.741 -1.343 1.00 0.00 C ATOM 1311 CG TYR A 82 4.224 -11.910 -2.742 1.00 0.00 C ATOM 1312 CD1 TYR A 82 2.969 -12.471 -2.942 1.00 0.00 C ATOM 1313 CD2 TYR A 82 4.954 -11.533 -3.858 1.00 0.00 C ATOM 1314 CE1 TYR A 82 2.459 -12.646 -4.215 1.00 0.00 C ATOM 1315 CE2 TYR A 82 4.454 -11.710 -5.136 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.206 -12.270 -5.309 1.00 0.00 C ATOM 1317 OH TYR A 82 2.702 -12.448 -6.581 1.00 0.00 O ATOM 0 H TYR A 82 6.146 -9.649 -1.136 1.00 0.00 H new ATOM 0 HA TYR A 82 3.326 -10.208 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.871 -11.716 -1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.515 -12.615 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.382 -12.776 -2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.932 -11.093 -3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.478 -13.076 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.038 -11.411 -5.994 1.00 0.00 H new ATOM 0 HH TYR A 82 3.069 -13.271 -6.966 1.00 0.00 H new ATOM 1327 N LEU A 83 2.911 -10.633 1.342 1.00 0.00 N ATOM 1328 CA LEU A 83 2.604 -10.851 2.745 1.00 0.00 C ATOM 1329 C LEU A 83 2.058 -12.260 2.938 1.00 0.00 C ATOM 1330 O LEU A 83 1.264 -12.517 3.841 1.00 0.00 O ATOM 1331 CB LEU A 83 1.583 -9.817 3.226 1.00 0.00 C ATOM 1332 CG LEU A 83 2.016 -8.356 3.072 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.879 -7.423 3.448 1.00 0.00 C ATOM 1334 CD2 LEU A 83 3.246 -8.067 3.923 1.00 0.00 C ATOM 0 H LEU A 83 2.106 -10.374 0.772 1.00 0.00 H new ATOM 0 HA LEU A 83 3.515 -10.740 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.653 -9.964 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.365 -10.006 4.277 1.00 0.00 H new ATOM 0 HG LEU A 83 2.274 -8.184 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.204 -6.389 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.025 -7.610 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.591 -7.600 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.537 -7.024 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.016 -8.258 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.066 -8.712 3.608 1.00 0.00 H new ATOM 1346 N ASP A 84 2.519 -13.178 2.095 1.00 0.00 N ATOM 1347 CA ASP A 84 2.057 -14.561 2.124 1.00 0.00 C ATOM 1348 C ASP A 84 2.683 -15.328 3.285 1.00 0.00 C ATOM 1349 O ASP A 84 2.415 -16.514 3.474 1.00 0.00 O ATOM 1350 CB ASP A 84 2.387 -15.265 0.801 1.00 0.00 C ATOM 1351 CG ASP A 84 3.878 -15.445 0.577 1.00 0.00 C ATOM 1352 OD1 ASP A 84 4.536 -14.494 0.104 1.00 0.00 O ATOM 1353 OD2 ASP A 84 4.399 -16.543 0.860 1.00 0.00 O ATOM 0 H ASP A 84 3.218 -12.987 1.377 1.00 0.00 H new ATOM 0 HA ASP A 84 0.976 -14.546 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.903 -16.242 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.969 -14.689 -0.024 1.00 0.00 H new ATOM 1358 N GLY A 85 3.515 -14.648 4.062 1.00 0.00 N ATOM 1359 CA GLY A 85 4.161 -15.289 5.189 1.00 0.00 C ATOM 1360 C GLY A 85 5.620 -14.909 5.304 1.00 0.00 C ATOM 1361 O GLY A 85 6.248 -15.138 6.341 1.00 0.00 O ATOM 0 H GLY A 85 3.754 -13.665 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.642 -15.014 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.076 -16.371 5.087 1.00 0.00 H new ATOM 1365 N SER A 86 6.161 -14.333 4.237 1.00 0.00 N ATOM 1366 CA SER A 86 7.552 -13.902 4.225 1.00 0.00 C ATOM 1367 C SER A 86 7.774 -12.797 5.258 1.00 0.00 C ATOM 1368 O SER A 86 8.627 -12.916 6.138 1.00 0.00 O ATOM 1369 CB SER A 86 7.944 -13.412 2.827 1.00 0.00 C ATOM 1370 OG SER A 86 9.329 -13.116 2.757 1.00 0.00 O ATOM 0 H SER A 86 5.656 -14.154 3.369 1.00 0.00 H new ATOM 0 HA SER A 86 8.183 -14.752 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.695 -14.174 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.366 -12.523 2.575 1.00 0.00 H new ATOM 0 HG SER A 86 9.750 -13.682 2.077 1.00 0.00 H new ATOM 1376 N LEU A 87 6.993 -11.732 5.157 1.00 0.00 N ATOM 1377 CA LEU A 87 7.082 -10.631 6.102 1.00 0.00 C ATOM 1378 C LEU A 87 6.025 -10.788 7.187 1.00 0.00 C ATOM 1379 O LEU A 87 4.906 -11.216 6.904 1.00 0.00 O ATOM 1380 CB LEU A 87 6.919 -9.279 5.394 1.00 0.00 C ATOM 1381 CG LEU A 87 8.147 -8.777 4.617 1.00 0.00 C ATOM 1382 CD1 LEU A 87 9.366 -8.705 5.524 1.00 0.00 C ATOM 1383 CD2 LEU A 87 8.435 -9.654 3.405 1.00 0.00 C ATOM 0 H LEU A 87 6.290 -11.608 4.429 1.00 0.00 H new ATOM 0 HA LEU A 87 8.071 -10.654 6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.080 -9.352 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.653 -8.530 6.140 1.00 0.00 H new ATOM 0 HG LEU A 87 7.922 -7.773 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.223 -8.347 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.167 -8.019 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.583 -9.696 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.309 -9.271 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.627 -10.676 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.575 -9.644 2.736 1.00 0.00 H new ATOM 1395 N PRO A 88 6.369 -10.459 8.444 1.00 0.00 N ATOM 1396 CA PRO A 88 5.454 -10.591 9.583 1.00 0.00 C ATOM 1397 C PRO A 88 4.328 -9.557 9.550 1.00 0.00 C ATOM 1398 O PRO A 88 4.435 -8.529 8.877 1.00 0.00 O ATOM 1399 CB PRO A 88 6.351 -10.355 10.810 1.00 0.00 C ATOM 1400 CG PRO A 88 7.756 -10.362 10.298 1.00 0.00 C ATOM 1401 CD PRO A 88 7.680 -9.941 8.860 1.00 0.00 C ATOM 0 HA PRO A 88 4.958 -11.561 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.115 -9.405 11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.204 -11.135 11.557 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.382 -9.678 10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.199 -11.354 10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.741 -8.858 8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.491 -10.368 8.269 1.00 0.00 H new ATOM 1409 N ASP A 89 3.259 -9.824 10.293 1.00 0.00 N ATOM 1410 CA ASP A 89 2.110 -8.922 10.342 1.00 0.00 C ATOM 1411 C ASP A 89 2.486 -7.581 10.967 1.00 0.00 C ATOM 1412 O ASP A 89 1.855 -6.560 10.691 1.00 0.00 O ATOM 1413 CB ASP A 89 0.949 -9.558 11.114 1.00 0.00 C ATOM 1414 CG ASP A 89 1.287 -9.873 12.560 1.00 0.00 C ATOM 1415 OD1 ASP A 89 1.084 -9.003 13.431 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.749 -11.004 12.829 1.00 0.00 O ATOM 0 H ASP A 89 3.163 -10.659 10.871 1.00 0.00 H new ATOM 0 HA ASP A 89 1.789 -8.743 9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.092 -8.884 11.087 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.648 -10.477 10.611 1.00 0.00 H new ATOM 1421 N SER A 90 3.525 -7.589 11.788 1.00 0.00 N ATOM 1422 CA SER A 90 4.023 -6.378 12.419 1.00 0.00 C ATOM 1423 C SER A 90 4.573 -5.405 11.375 1.00 0.00 C ATOM 1424 O SER A 90 4.547 -4.185 11.564 1.00 0.00 O ATOM 1425 CB SER A 90 5.098 -6.748 13.440 1.00 0.00 C ATOM 1426 OG SER A 90 5.937 -7.780 12.939 1.00 0.00 O ATOM 0 H SER A 90 4.044 -8.432 12.034 1.00 0.00 H new ATOM 0 HA SER A 90 3.201 -5.877 12.931 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.698 -5.869 13.678 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.628 -7.074 14.368 1.00 0.00 H new ATOM 0 HG SER A 90 6.619 -8.000 13.607 1.00 0.00 H new ATOM 1432 N GLN A 91 5.055 -5.955 10.267 1.00 0.00 N ATOM 1433 CA GLN A 91 5.593 -5.160 9.171 1.00 0.00 C ATOM 1434 C GLN A 91 4.470 -4.463 8.408 1.00 0.00 C ATOM 1435 O GLN A 91 4.640 -3.352 7.901 1.00 0.00 O ATOM 1436 CB GLN A 91 6.398 -6.058 8.221 1.00 0.00 C ATOM 1437 CG GLN A 91 7.045 -5.330 7.050 1.00 0.00 C ATOM 1438 CD GLN A 91 8.114 -4.343 7.480 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.042 -3.750 8.554 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.120 -4.164 6.640 1.00 0.00 N ATOM 0 H GLN A 91 5.084 -6.961 10.104 1.00 0.00 H new ATOM 0 HA GLN A 91 6.251 -4.397 9.586 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.177 -6.562 8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.739 -6.833 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.486 -6.062 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.275 -4.801 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.145 -4.675 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.871 -3.515 6.875 1.00 0.00 H new ATOM 1449 N ILE A 92 3.313 -5.117 8.349 1.00 0.00 N ATOM 1450 CA ILE A 92 2.180 -4.617 7.575 1.00 0.00 C ATOM 1451 C ILE A 92 1.705 -3.258 8.093 1.00 0.00 C ATOM 1452 O ILE A 92 1.304 -2.395 7.309 1.00 0.00 O ATOM 1453 CB ILE A 92 1.001 -5.614 7.595 1.00 0.00 C ATOM 1454 CG1 ILE A 92 1.486 -7.017 7.212 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -0.099 -5.154 6.647 1.00 0.00 C ATOM 1456 CD1 ILE A 92 0.402 -8.076 7.264 1.00 0.00 C ATOM 0 H ILE A 92 3.135 -5.998 8.830 1.00 0.00 H new ATOM 0 HA ILE A 92 2.527 -4.501 6.548 1.00 0.00 H new ATOM 0 HB ILE A 92 0.593 -5.651 8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.901 -6.985 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.296 -7.306 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.923 -5.867 6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.459 -4.173 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.297 -5.093 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.822 -9.041 6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.002 -8.138 8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.398 -7.811 6.573 1.00 0.00 H new ATOM 1468 N TYR A 93 1.765 -3.064 9.411 1.00 0.00 N ATOM 1469 CA TYR A 93 1.382 -1.788 10.019 1.00 0.00 C ATOM 1470 C TYR A 93 2.148 -0.632 9.384 1.00 0.00 C ATOM 1471 O TYR A 93 1.563 0.379 8.989 1.00 0.00 O ATOM 1472 CB TYR A 93 1.653 -1.796 11.526 1.00 0.00 C ATOM 1473 CG TYR A 93 0.763 -2.719 12.325 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.539 -2.353 12.639 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.232 -3.940 12.786 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.352 -3.184 13.386 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.429 -4.774 13.538 1.00 0.00 C ATOM 1478 CZ TYR A 93 -0.860 -4.391 13.836 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.656 -5.215 14.595 1.00 0.00 O ATOM 0 H TYR A 93 2.074 -3.772 10.077 1.00 0.00 H new ATOM 0 HA TYR A 93 0.314 -1.653 9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.692 -2.082 11.693 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.536 -0.782 11.907 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.922 -1.404 12.294 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.242 -4.243 12.553 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.366 -2.890 13.616 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.809 -5.721 13.891 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.158 -6.026 14.829 1.00 0.00 H new ATOM 1489 N TYR A 94 3.461 -0.803 9.285 1.00 0.00 N ATOM 1490 CA TYR A 94 4.342 0.213 8.723 1.00 0.00 C ATOM 1491 C TYR A 94 3.971 0.512 7.275 1.00 0.00 C ATOM 1492 O TYR A 94 3.903 1.669 6.867 1.00 0.00 O ATOM 1493 CB TYR A 94 5.800 -0.268 8.817 1.00 0.00 C ATOM 1494 CG TYR A 94 6.808 0.624 8.120 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.422 1.676 8.793 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.154 0.409 6.790 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.346 2.487 8.158 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.074 1.214 6.151 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.667 2.249 6.838 1.00 0.00 C ATOM 1500 OH TYR A 94 9.584 3.051 6.197 1.00 0.00 O ATOM 0 H TYR A 94 3.944 -1.648 9.591 1.00 0.00 H new ATOM 0 HA TYR A 94 4.229 1.135 9.293 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.074 -0.350 9.869 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.866 -1.269 8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.173 1.862 9.827 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.694 -0.403 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.813 3.301 8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.328 1.033 5.117 1.00 0.00 H new ATOM 0 HH TYR A 94 10.321 3.259 6.809 1.00 0.00 H new ATOM 1510 N LEU A 95 3.706 -0.539 6.515 1.00 0.00 N ATOM 1511 CA LEU A 95 3.445 -0.413 5.089 1.00 0.00 C ATOM 1512 C LEU A 95 2.200 0.429 4.821 1.00 0.00 C ATOM 1513 O LEU A 95 2.184 1.261 3.913 1.00 0.00 O ATOM 1514 CB LEU A 95 3.278 -1.802 4.465 1.00 0.00 C ATOM 1515 CG LEU A 95 4.435 -2.777 4.712 1.00 0.00 C ATOM 1516 CD1 LEU A 95 4.116 -4.148 4.133 1.00 0.00 C ATOM 1517 CD2 LEU A 95 5.727 -2.238 4.121 1.00 0.00 C ATOM 0 H LEU A 95 3.666 -1.496 6.865 1.00 0.00 H new ATOM 0 HA LEU A 95 4.297 0.092 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.361 -2.247 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.147 -1.685 3.389 1.00 0.00 H new ATOM 0 HG LEU A 95 4.567 -2.881 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.950 -4.825 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.216 -4.542 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.953 -4.060 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.535 -2.945 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.606 -2.100 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.968 -1.281 4.585 1.00 0.00 H new ATOM 1529 N VAL A 96 1.164 0.220 5.615 1.00 0.00 N ATOM 1530 CA VAL A 96 -0.102 0.913 5.405 1.00 0.00 C ATOM 1531 C VAL A 96 -0.049 2.357 5.906 1.00 0.00 C ATOM 1532 O VAL A 96 -0.373 3.289 5.164 1.00 0.00 O ATOM 1533 CB VAL A 96 -1.269 0.169 6.088 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -2.591 0.878 5.827 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -1.336 -1.268 5.601 1.00 0.00 C ATOM 0 H VAL A 96 1.171 -0.421 6.409 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.275 0.928 4.329 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.089 0.167 7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.398 0.335 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.544 1.893 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.779 0.914 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.164 -1.780 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.490 -1.280 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.402 -1.777 5.840 1.00 0.00 H new ATOM 1545 N ASP A 97 0.373 2.544 7.152 1.00 0.00 N ATOM 1546 CA ASP A 97 0.333 3.865 7.778 1.00 0.00 C ATOM 1547 C ASP A 97 1.316 4.821 7.109 1.00 0.00 C ATOM 1548 O ASP A 97 0.975 5.972 6.831 1.00 0.00 O ATOM 1549 CB ASP A 97 0.628 3.764 9.278 1.00 0.00 C ATOM 1550 CG ASP A 97 0.375 5.069 10.019 1.00 0.00 C ATOM 1551 OD1 ASP A 97 -0.801 5.348 10.350 1.00 0.00 O ATOM 1552 OD2 ASP A 97 1.341 5.810 10.280 1.00 0.00 O ATOM 0 H ASP A 97 0.745 1.804 7.747 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.673 4.264 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.010 2.979 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.667 3.467 9.420 1.00 0.00 H new ATOM 1557 N ALA A 98 2.522 4.337 6.819 1.00 0.00 N ATOM 1558 CA ALA A 98 3.548 5.178 6.217 1.00 0.00 C ATOM 1559 C ALA A 98 3.124 5.677 4.840 1.00 0.00 C ATOM 1560 O ALA A 98 3.344 6.836 4.500 1.00 0.00 O ATOM 1561 CB ALA A 98 4.869 4.435 6.116 1.00 0.00 C ATOM 0 H ALA A 98 2.809 3.373 6.991 1.00 0.00 H new ATOM 0 HA ALA A 98 3.680 6.042 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.618 5.085 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.198 4.141 7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.740 3.545 5.499 1.00 0.00 H new ATOM 1567 N SER A 99 2.524 4.798 4.047 1.00 0.00 N ATOM 1568 CA SER A 99 2.058 5.165 2.717 1.00 0.00 C ATOM 1569 C SER A 99 0.975 6.238 2.796 1.00 0.00 C ATOM 1570 O SER A 99 0.969 7.187 2.010 1.00 0.00 O ATOM 1571 CB SER A 99 1.529 3.934 1.985 1.00 0.00 C ATOM 1572 OG SER A 99 2.538 2.950 1.880 1.00 0.00 O ATOM 0 H SER A 99 2.349 3.826 4.302 1.00 0.00 H new ATOM 0 HA SER A 99 2.902 5.573 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.670 3.527 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.182 4.216 0.991 1.00 0.00 H new ATOM 0 HG SER A 99 2.320 2.194 2.464 1.00 0.00 H new ATOM 1578 N TYR A 100 0.075 6.086 3.756 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.988 7.056 3.974 1.00 0.00 C ATOM 1580 C TYR A 100 -0.408 8.417 4.361 1.00 0.00 C ATOM 1581 O TYR A 100 -0.777 9.441 3.785 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.949 6.539 5.051 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.882 7.592 5.607 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.864 8.169 4.814 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.769 8.017 6.925 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.704 9.144 5.317 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -3.607 8.986 7.436 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.570 9.548 6.628 1.00 0.00 C ATOM 1589 OH TYR A 100 -5.396 10.523 7.131 1.00 0.00 O ATOM 0 H TYR A 100 0.060 5.295 4.400 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.544 7.187 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -2.544 5.727 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.366 6.117 5.870 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.973 7.851 3.788 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.012 7.581 7.560 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.461 9.587 4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.508 9.302 8.464 1.00 0.00 H new ATOM 0 HH TYR A 100 -6.025 10.809 6.436 1.00 0.00 H new ATOM 1599 N GLN A 101 0.521 8.417 5.317 1.00 0.00 N ATOM 1600 CA GLN A 101 1.161 9.649 5.776 1.00 0.00 C ATOM 1601 C GLN A 101 1.836 10.382 4.622 1.00 0.00 C ATOM 1602 O GLN A 101 1.701 11.599 4.487 1.00 0.00 O ATOM 1603 CB GLN A 101 2.187 9.341 6.872 1.00 0.00 C ATOM 1604 CG GLN A 101 1.565 8.911 8.187 1.00 0.00 C ATOM 1605 CD GLN A 101 0.737 10.010 8.820 1.00 0.00 C ATOM 1606 OE1 GLN A 101 1.246 10.825 9.587 1.00 0.00 O ATOM 1607 NE2 GLN A 101 -0.547 10.043 8.505 1.00 0.00 N ATOM 0 H GLN A 101 0.848 7.574 5.790 1.00 0.00 H new ATOM 0 HA GLN A 101 0.385 10.296 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.854 8.554 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.800 10.226 7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.936 8.036 8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.353 8.610 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.933 9.349 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.151 10.762 8.902 1.00 0.00 H new ATOM 1616 N GLN A 102 2.549 9.632 3.787 1.00 0.00 N ATOM 1617 CA GLN A 102 3.245 10.207 2.638 1.00 0.00 C ATOM 1618 C GLN A 102 2.274 10.946 1.724 1.00 0.00 C ATOM 1619 O GLN A 102 2.549 12.058 1.282 1.00 0.00 O ATOM 1620 CB GLN A 102 3.973 9.117 1.845 1.00 0.00 C ATOM 1621 CG GLN A 102 5.100 8.449 2.618 1.00 0.00 C ATOM 1622 CD GLN A 102 5.717 7.290 1.863 1.00 0.00 C ATOM 1623 OE1 GLN A 102 6.675 7.457 1.108 1.00 0.00 O ATOM 1624 NE2 GLN A 102 5.166 6.101 2.060 1.00 0.00 N ATOM 0 H GLN A 102 2.661 8.623 3.884 1.00 0.00 H new ATOM 0 HA GLN A 102 3.978 10.919 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.252 8.358 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.379 9.554 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.872 9.187 2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.718 8.092 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.373 6.005 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.535 5.282 1.577 1.00 0.00 H new ATOM 1633 N ALA A 103 1.132 10.324 1.462 1.00 0.00 N ATOM 1634 CA ALA A 103 0.128 10.908 0.584 1.00 0.00 C ATOM 1635 C ALA A 103 -0.445 12.194 1.171 1.00 0.00 C ATOM 1636 O ALA A 103 -0.662 13.167 0.450 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.985 9.908 0.314 1.00 0.00 C ATOM 0 H ALA A 103 0.878 9.414 1.846 1.00 0.00 H new ATOM 0 HA ALA A 103 0.614 11.159 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.728 10.359 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.569 9.021 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.457 9.626 1.255 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.669 12.197 2.481 1.00 0.00 N ATOM 1644 CA VAL A 104 -1.235 13.356 3.165 1.00 0.00 C ATOM 1645 C VAL A 104 -0.305 14.562 3.068 1.00 0.00 C ATOM 1646 O VAL A 104 -0.749 15.679 2.802 1.00 0.00 O ATOM 1647 CB VAL A 104 -1.517 13.049 4.653 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -2.058 14.275 5.367 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -2.485 11.887 4.786 1.00 0.00 C ATOM 0 H VAL A 104 -0.466 11.407 3.093 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.176 13.590 2.667 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.574 12.769 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.248 14.033 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.328 15.082 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.987 14.592 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.670 11.687 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.425 12.138 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.056 11.001 4.319 1.00 0.00 H new ATOM 1659 N ASN A 105 0.988 14.327 3.259 1.00 0.00 N ATOM 1660 CA ASN A 105 1.970 15.410 3.261 1.00 0.00 C ATOM 1661 C ASN A 105 2.153 15.998 1.864 1.00 0.00 C ATOM 1662 O ASN A 105 2.655 17.114 1.710 1.00 0.00 O ATOM 1663 CB ASN A 105 3.320 14.917 3.793 1.00 0.00 C ATOM 1664 CG ASN A 105 3.257 14.462 5.237 1.00 0.00 C ATOM 1665 OD1 ASN A 105 2.417 14.918 6.011 1.00 0.00 O ATOM 1666 ND2 ASN A 105 4.160 13.571 5.610 1.00 0.00 N ATOM 0 H ASN A 105 1.382 13.399 3.414 1.00 0.00 H new ATOM 0 HA ASN A 105 1.590 16.192 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.669 14.092 3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.054 15.717 3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.178 13.235 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.839 13.219 4.935 1.00 0.00 H new ATOM 1673 N LEU A 106 1.742 15.249 0.851 1.00 0.00 N ATOM 1674 CA LEU A 106 1.882 15.689 -0.529 1.00 0.00 C ATOM 1675 C LEU A 106 0.647 16.456 -0.985 1.00 0.00 C ATOM 1676 O LEU A 106 0.633 17.045 -2.068 1.00 0.00 O ATOM 1677 CB LEU A 106 2.120 14.486 -1.445 1.00 0.00 C ATOM 1678 CG LEU A 106 3.416 13.717 -1.186 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.522 12.523 -2.119 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.622 14.628 -1.352 1.00 0.00 C ATOM 0 H LEU A 106 1.308 14.332 0.959 1.00 0.00 H new ATOM 0 HA LEU A 106 2.741 16.358 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.281 13.798 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.122 14.831 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 106 3.398 13.353 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.450 11.987 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.676 11.856 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.516 12.868 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.534 14.062 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.643 15.022 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.554 15.454 -0.644 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.390 16.447 -0.157 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.634 17.123 -0.490 1.00 0.00 C ATOM 1694 C LEU A 107 -1.570 18.601 -0.110 1.00 0.00 C ATOM 1695 O LEU A 107 -0.778 18.998 0.749 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.817 16.443 0.213 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.114 15.016 -0.249 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.281 14.438 0.532 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.409 14.987 -1.742 1.00 0.00 C ATOM 0 H LEU A 107 -0.393 15.979 0.749 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.780 17.054 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.622 16.428 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.709 17.051 0.060 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.232 14.404 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.479 13.422 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.036 14.423 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.166 15.054 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.618 13.963 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.275 15.614 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.546 15.363 -2.291 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.380 19.441 -0.777 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.484 20.869 -0.461 1.00 0.00 C ATOM 1713 C PRO A 108 -2.969 21.112 0.959 1.00 0.00 C ATOM 1714 O PRO A 108 -3.579 20.238 1.581 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.511 21.396 -1.470 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.526 20.388 -2.566 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.240 19.069 -1.910 1.00 0.00 C ATOM 0 HA PRO A 108 -1.516 21.365 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.496 21.498 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.229 22.381 -1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.492 20.373 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.775 20.620 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.154 18.577 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.737 18.381 -2.590 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.706 22.312 1.449 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.027 22.694 2.796 1.00 0.00 C ATOM 1727 C GLU A 109 -4.502 22.464 3.119 1.00 0.00 C ATOM 1728 O GLU A 109 -4.824 21.863 4.140 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.660 24.156 2.963 1.00 0.00 C ATOM 1730 CG GLU A 109 -1.239 24.386 3.447 1.00 0.00 C ATOM 1731 CD GLU A 109 -1.032 23.899 4.864 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -0.875 22.678 5.063 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -1.045 24.737 5.793 1.00 0.00 O ATOM 0 H GLU A 109 -2.258 23.051 0.908 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.461 22.075 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.794 24.665 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.352 24.615 3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.543 23.873 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.006 25.449 3.392 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.381 22.923 2.231 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.819 22.804 2.414 1.00 0.00 C ATOM 1742 C GLU A 110 -7.218 21.357 2.697 1.00 0.00 C ATOM 1743 O GLU A 110 -7.925 21.069 3.661 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.549 23.295 1.163 1.00 0.00 C ATOM 1745 CG GLU A 110 -7.187 24.709 0.722 1.00 0.00 C ATOM 1746 CD GLU A 110 -5.827 24.795 0.057 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -5.664 24.245 -1.055 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -4.910 25.399 0.648 1.00 0.00 O ATOM 0 H GLU A 110 -5.112 23.388 1.364 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.101 23.418 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.337 22.609 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.623 23.251 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -7.947 25.073 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.203 25.369 1.589 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.735 20.454 1.854 1.00 0.00 N ATOM 1756 CA LYS A 111 -7.051 19.035 1.970 1.00 0.00 C ATOM 1757 C LYS A 111 -6.435 18.436 3.229 1.00 0.00 C ATOM 1758 O LYS A 111 -7.060 17.624 3.913 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.549 18.274 0.738 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.547 18.191 -0.412 1.00 0.00 C ATOM 1761 CD LYS A 111 -8.002 19.567 -0.882 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.875 19.486 -2.129 1.00 0.00 C ATOM 1763 NZ LYS A 111 -10.050 18.595 -1.940 1.00 0.00 N ATOM 0 H LYS A 111 -6.117 20.681 1.075 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.135 18.940 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.639 18.754 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.278 17.262 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.093 17.656 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.415 17.612 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.557 20.058 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -7.129 20.186 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.219 20.486 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.277 19.123 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.796 18.856 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.766 17.607 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.411 18.698 -0.970 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.208 18.846 3.528 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.463 18.304 4.660 1.00 0.00 C ATOM 1779 C ARG A 112 -5.190 18.552 5.983 1.00 0.00 C ATOM 1780 O ARG A 112 -5.157 17.709 6.875 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.063 18.919 4.723 1.00 0.00 C ATOM 1782 CG ARG A 112 -1.999 17.951 5.219 1.00 0.00 C ATOM 1783 CD ARG A 112 -1.148 18.549 6.333 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.509 19.809 5.952 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.764 20.111 6.224 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.554 19.224 6.826 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.239 21.304 5.892 1.00 0.00 N ATOM 0 H ARG A 112 -4.704 19.557 2.998 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.381 17.227 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.786 19.275 3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.086 19.789 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.478 17.041 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.356 17.664 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.773 18.716 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.380 17.831 6.621 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.068 20.498 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.188 18.307 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.525 19.462 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.634 21.984 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.210 21.541 6.097 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.850 19.705 6.100 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.538 20.076 7.330 1.00 0.00 C ATOM 1803 C LYS A 113 -7.599 19.043 7.695 1.00 0.00 C ATOM 1804 O LYS A 113 -7.671 18.577 8.833 1.00 0.00 O ATOM 1805 CB LYS A 113 -7.205 21.445 7.174 1.00 0.00 C ATOM 1806 CG LYS A 113 -6.294 22.530 6.627 1.00 0.00 C ATOM 1807 CD LYS A 113 -5.045 22.716 7.475 1.00 0.00 C ATOM 1808 CE LYS A 113 -4.081 23.691 6.819 1.00 0.00 C ATOM 1809 NZ LYS A 113 -2.818 23.836 7.585 1.00 0.00 N ATOM 0 H LYS A 113 -5.921 20.397 5.354 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.795 20.118 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.065 21.343 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.585 21.763 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.004 22.278 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.842 23.471 6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.323 23.083 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.553 21.754 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.854 23.350 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.561 24.665 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.141 24.402 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.013 24.312 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.414 22.896 7.769 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.405 18.680 6.704 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.520 17.779 6.891 1.00 0.00 C ATOM 1825 C LEU A 114 -9.068 16.415 7.401 1.00 0.00 C ATOM 1826 O LEU A 114 -9.662 15.863 8.327 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.248 17.627 5.560 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.900 18.904 5.025 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.500 18.659 3.652 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.966 19.405 5.991 1.00 0.00 C ATOM 0 H LEU A 114 -8.297 19.009 5.744 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.186 18.198 7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.540 17.261 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.018 16.864 5.670 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.131 19.671 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.959 19.577 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.716 18.346 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.256 17.877 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.419 20.314 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.734 18.641 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.510 19.619 6.957 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.011 15.894 6.801 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.502 14.569 7.142 1.00 0.00 C ATOM 1844 C LEU A 115 -6.984 14.525 8.580 1.00 0.00 C ATOM 1845 O LEU A 115 -7.070 13.496 9.251 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.389 14.170 6.169 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.741 14.308 4.683 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.588 13.828 3.817 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -8.013 13.540 4.354 1.00 0.00 C ATOM 0 H LEU A 115 -7.483 16.370 6.069 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.325 13.859 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.511 14.781 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.110 13.135 6.365 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.918 15.362 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.855 13.933 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.701 14.426 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.380 12.781 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.242 13.653 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.870 12.484 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.839 13.932 4.948 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.461 15.648 9.051 1.00 0.00 N ATOM 1862 CA VAL A 116 -5.906 15.730 10.396 1.00 0.00 C ATOM 1863 C VAL A 116 -7.018 15.857 11.441 1.00 0.00 C ATOM 1864 O VAL A 116 -6.893 15.363 12.561 1.00 0.00 O ATOM 1865 CB VAL A 116 -4.932 16.926 10.523 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -4.398 17.059 11.940 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -3.780 16.779 9.538 1.00 0.00 C ATOM 0 H VAL A 116 -6.409 16.518 8.521 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.355 14.808 10.579 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.487 17.834 10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.717 17.908 11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -5.228 17.215 12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.865 16.149 12.215 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.104 17.628 9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.238 15.856 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.172 16.747 8.522 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.107 16.510 11.060 1.00 0.00 N ATOM 1878 CA GLN A 117 -9.208 16.762 11.971 1.00 0.00 C ATOM 1879 C GLN A 117 -10.047 15.510 12.233 1.00 0.00 C ATOM 1880 O GLN A 117 -10.653 15.379 13.296 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.087 17.870 11.408 1.00 0.00 C ATOM 1882 CG GLN A 117 -9.431 19.239 11.435 1.00 0.00 C ATOM 1883 CD GLN A 117 -10.360 20.336 10.965 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -11.229 20.116 10.121 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -10.188 21.527 11.513 1.00 0.00 N ATOM 0 H GLN A 117 -8.249 16.876 10.119 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.783 17.068 12.927 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.353 17.624 10.380 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.016 17.910 11.977 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.098 19.459 12.449 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.542 19.225 10.804 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.456 21.667 12.209 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.788 22.306 11.240 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.087 14.601 11.267 1.00 0.00 N ATOM 1895 CA LEU A 118 -10.917 13.407 11.380 1.00 0.00 C ATOM 1896 C LEU A 118 -10.248 12.348 12.258 1.00 0.00 C ATOM 1897 O LEU A 118 -10.356 12.447 13.497 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.207 12.838 9.989 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.007 13.759 9.070 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -12.145 13.145 7.688 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.377 14.043 9.667 1.00 0.00 C ATOM 0 H LEU A 118 -9.556 14.667 10.398 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.857 13.689 11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.260 12.600 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.751 11.900 10.102 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.469 14.702 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.718 13.816 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.155 12.990 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.661 12.188 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.935 14.701 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.921 13.107 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.258 14.526 10.637 1.00 0.00 H new TER 1913 LEU A 118