USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 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 NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Set 1.1: A 80 SER OG : rot 94:sc= 1.22 USER MOD Set 1.2: A 81 GLN : amide:sc= 0.103 K(o=1.3,f=-9.3!) USER MOD Set 2.1: A 69 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 73 GLN : amide:sc= 1.4 K(o=2.6,f=-5.9) USER MOD Single : A 30 ASN : amide:sc= -0.26 K(o=-0.26,f=-2!) USER MOD Single : A 43 HIS : no HD1:sc= -3.97! C(o=-4!,f=-4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 56 THR OG1 : rot 85:sc= 0.973 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.133 F(o=-2.5!,f=-0.13) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.044 (180deg=-0.357) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0462) USER MOD Single : A 75 SER OG : rot 77:sc= 1.02 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.0404 USER MOD Single : A 90 MET CE :methyl -162:sc= -0.149 (180deg=-0.658) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 32.036 -12.759 -2.307 1.00 0.00 N ATOM 2 CA ASP A 28 30.947 -12.165 -1.536 1.00 0.00 C ATOM 3 C ASP A 28 29.946 -11.613 -2.497 1.00 0.00 C ATOM 4 O ASP A 28 30.271 -11.445 -3.671 1.00 0.00 O ATOM 5 CB ASP A 28 31.464 -11.032 -0.628 1.00 0.00 C ATOM 6 CG ASP A 28 32.508 -11.493 0.353 1.00 0.00 C ATOM 7 OD1 ASP A 28 33.712 -11.505 0.004 1.00 0.00 O ATOM 8 OD2 ASP A 28 32.152 -11.856 1.479 1.00 0.00 O ATOM 0 HA ASP A 28 30.498 -12.928 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 28 31.882 -10.239 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 28 30.625 -10.601 -0.081 1.00 0.00 H new ATOM 13 N PRO A 29 28.700 -11.353 -2.055 1.00 0.00 N ATOM 14 CA PRO A 29 27.706 -10.698 -2.900 1.00 0.00 C ATOM 15 C PRO A 29 28.197 -9.309 -3.302 1.00 0.00 C ATOM 16 O PRO A 29 29.009 -8.705 -2.590 1.00 0.00 O ATOM 17 CB PRO A 29 26.481 -10.570 -1.982 1.00 0.00 C ATOM 18 CG PRO A 29 26.679 -11.610 -0.938 1.00 0.00 C ATOM 19 CD PRO A 29 28.155 -11.690 -0.720 1.00 0.00 C ATOM 0 HA PRO A 29 27.500 -11.246 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.419 -9.575 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 29 25.555 -10.734 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 29 26.161 -11.343 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.279 -12.571 -1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 29 28.490 -10.988 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 29 28.463 -12.684 -0.396 1.00 0.00 H new ATOM 27 N ASN A 30 27.729 -8.812 -4.421 1.00 0.00 N ATOM 28 CA ASN A 30 28.126 -7.491 -4.899 1.00 0.00 C ATOM 29 C ASN A 30 27.637 -6.454 -3.911 1.00 0.00 C ATOM 30 O ASN A 30 28.393 -5.571 -3.478 1.00 0.00 O ATOM 31 CB ASN A 30 27.515 -7.239 -6.277 1.00 0.00 C ATOM 32 CG ASN A 30 27.966 -5.941 -6.955 1.00 0.00 C ATOM 33 OD1 ASN A 30 28.287 -4.935 -6.314 1.00 0.00 O ATOM 34 ND2 ASN A 30 27.982 -5.959 -8.255 1.00 0.00 N ATOM 0 H ASN A 30 27.069 -9.298 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 30 29.211 -7.431 -4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 30 27.764 -8.077 -6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 30 26.429 -7.223 -6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 30 28.265 -5.127 -8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 30 27.711 -6.805 -8.757 1.00 0.00 H new ATOM 41 N ALA A 31 26.373 -6.602 -3.538 1.00 0.00 N ATOM 42 CA ALA A 31 25.707 -5.746 -2.588 1.00 0.00 C ATOM 43 C ALA A 31 25.627 -4.312 -3.090 1.00 0.00 C ATOM 44 O ALA A 31 26.438 -3.451 -2.739 1.00 0.00 O ATOM 45 CB ALA A 31 26.320 -5.845 -1.181 1.00 0.00 C ATOM 0 H ALA A 31 25.774 -7.343 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 31 24.683 -6.107 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 31 25.783 -5.182 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 31 26.242 -6.871 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.369 -5.553 -1.220 1.00 0.00 H new ATOM 51 N GLU A 32 24.692 -4.095 -3.990 1.00 0.00 N ATOM 52 CA GLU A 32 24.436 -2.795 -4.545 1.00 0.00 C ATOM 53 C GLU A 32 23.597 -2.011 -3.541 1.00 0.00 C ATOM 54 O GLU A 32 23.586 -0.787 -3.506 1.00 0.00 O ATOM 55 CB GLU A 32 23.687 -2.949 -5.872 1.00 0.00 C ATOM 56 CG GLU A 32 23.582 -1.681 -6.694 1.00 0.00 C ATOM 57 CD GLU A 32 24.933 -1.192 -7.146 1.00 0.00 C ATOM 58 OE1 GLU A 32 25.413 -1.642 -8.206 1.00 0.00 O ATOM 59 OE2 GLU A 32 25.545 -0.356 -6.457 1.00 0.00 O ATOM 0 H GLU A 32 24.085 -4.828 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 32 25.368 -2.263 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.187 -3.712 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.681 -3.315 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.952 -1.864 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 32 23.094 -0.905 -6.104 1.00 0.00 H new ATOM 66 N PHE A 33 22.914 -2.758 -2.732 1.00 0.00 N ATOM 67 CA PHE A 33 22.082 -2.254 -1.685 1.00 0.00 C ATOM 68 C PHE A 33 22.873 -2.216 -0.385 1.00 0.00 C ATOM 69 O PHE A 33 24.014 -2.698 -0.337 1.00 0.00 O ATOM 70 CB PHE A 33 20.856 -3.167 -1.543 1.00 0.00 C ATOM 71 CG PHE A 33 21.199 -4.635 -1.366 1.00 0.00 C ATOM 72 CD1 PHE A 33 21.453 -5.167 -0.111 1.00 0.00 C ATOM 73 CD2 PHE A 33 21.277 -5.477 -2.469 1.00 0.00 C ATOM 74 CE1 PHE A 33 21.774 -6.498 0.040 1.00 0.00 C ATOM 75 CE2 PHE A 33 21.601 -6.808 -2.323 1.00 0.00 C ATOM 76 CZ PHE A 33 21.848 -7.321 -1.066 1.00 0.00 C ATOM 0 H PHE A 33 22.921 -3.777 -2.785 1.00 0.00 H new ATOM 0 HA PHE A 33 21.750 -1.243 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 33 20.266 -2.836 -0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.228 -3.055 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 33 21.398 -4.530 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.081 -5.082 -3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.968 -6.898 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.662 -7.449 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.099 -8.365 -0.948 1.00 0.00 H new ATOM 86 N ASP A 34 22.282 -1.665 0.655 1.00 0.00 N ATOM 87 CA ASP A 34 22.933 -1.620 1.950 1.00 0.00 C ATOM 88 C ASP A 34 22.404 -2.774 2.793 1.00 0.00 C ATOM 89 O ASP A 34 21.254 -2.744 3.223 1.00 0.00 O ATOM 90 CB ASP A 34 22.644 -0.303 2.671 1.00 0.00 C ATOM 91 CG ASP A 34 23.522 -0.121 3.894 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.375 -0.877 4.873 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.371 0.799 3.899 1.00 0.00 O ATOM 0 H ASP A 34 21.354 -1.243 0.630 1.00 0.00 H new ATOM 0 HA ASP A 34 24.010 -1.700 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.802 0.529 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.596 -0.275 2.970 1.00 0.00 H new ATOM 98 N PRO A 35 23.218 -3.820 3.009 1.00 0.00 N ATOM 99 CA PRO A 35 22.807 -5.023 3.755 1.00 0.00 C ATOM 100 C PRO A 35 22.378 -4.773 5.208 1.00 0.00 C ATOM 101 O PRO A 35 21.730 -5.624 5.810 1.00 0.00 O ATOM 102 CB PRO A 35 24.040 -5.932 3.696 1.00 0.00 C ATOM 103 CG PRO A 35 24.806 -5.434 2.525 1.00 0.00 C ATOM 104 CD PRO A 35 24.596 -3.950 2.514 1.00 0.00 C ATOM 0 HA PRO A 35 21.911 -5.453 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.627 -5.867 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 35 23.758 -6.978 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.864 -5.680 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 35 24.450 -5.888 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.309 -3.435 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 35 24.709 -3.532 1.514 1.00 0.00 H new ATOM 112 N ASP A 36 22.724 -3.635 5.769 1.00 0.00 N ATOM 113 CA ASP A 36 22.294 -3.323 7.132 1.00 0.00 C ATOM 114 C ASP A 36 20.839 -2.933 7.125 1.00 0.00 C ATOM 115 O ASP A 36 20.058 -3.344 7.994 1.00 0.00 O ATOM 116 CB ASP A 36 23.126 -2.199 7.752 1.00 0.00 C ATOM 117 CG ASP A 36 22.593 -1.763 9.109 1.00 0.00 C ATOM 118 OD1 ASP A 36 22.839 -2.461 10.108 1.00 0.00 O ATOM 119 OD2 ASP A 36 21.906 -0.718 9.186 1.00 0.00 O ATOM 0 H ASP A 36 23.291 -2.916 5.320 1.00 0.00 H new ATOM 0 HA ASP A 36 22.441 -4.216 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.158 -2.532 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.136 -1.343 7.077 1.00 0.00 H new ATOM 124 N LEU A 37 20.470 -2.193 6.122 1.00 0.00 N ATOM 125 CA LEU A 37 19.126 -1.702 5.992 1.00 0.00 C ATOM 126 C LEU A 37 18.178 -2.805 5.564 1.00 0.00 C ATOM 127 O LEU A 37 18.547 -3.674 4.760 1.00 0.00 O ATOM 128 CB LEU A 37 19.043 -0.488 5.039 1.00 0.00 C ATOM 129 CG LEU A 37 19.500 0.886 5.585 1.00 0.00 C ATOM 130 CD1 LEU A 37 20.943 0.879 6.040 1.00 0.00 C ATOM 131 CD2 LEU A 37 19.278 1.967 4.543 1.00 0.00 C ATOM 0 H LEU A 37 21.094 -1.910 5.366 1.00 0.00 H new ATOM 0 HA LEU A 37 18.813 -1.356 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.640 -0.713 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.009 -0.391 4.709 1.00 0.00 H new ATOM 0 HG LEU A 37 18.891 1.100 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.212 1.867 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.070 0.144 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.588 0.621 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.604 2.928 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.852 1.732 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.218 2.019 4.292 1.00 0.00 H new ATOM 143 N PRO A 38 16.954 -2.822 6.126 1.00 0.00 N ATOM 144 CA PRO A 38 15.945 -3.820 5.785 1.00 0.00 C ATOM 145 C PRO A 38 15.647 -3.811 4.301 1.00 0.00 C ATOM 146 O PRO A 38 15.269 -2.771 3.730 1.00 0.00 O ATOM 147 CB PRO A 38 14.712 -3.390 6.581 1.00 0.00 C ATOM 148 CG PRO A 38 15.242 -2.554 7.686 1.00 0.00 C ATOM 149 CD PRO A 38 16.461 -1.873 7.144 1.00 0.00 C ATOM 0 HA PRO A 38 16.270 -4.833 6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.017 -2.827 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.169 -4.254 6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.501 -1.825 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.491 -3.166 8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.220 -0.904 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.203 -1.696 7.923 1.00 0.00 H new ATOM 157 N GLY A 39 15.880 -4.946 3.668 1.00 0.00 N ATOM 158 CA GLY A 39 15.631 -5.081 2.260 1.00 0.00 C ATOM 159 C GLY A 39 16.611 -4.287 1.454 1.00 0.00 C ATOM 160 O GLY A 39 16.296 -3.808 0.353 1.00 0.00 O ATOM 0 H GLY A 39 16.243 -5.787 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.692 -6.132 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.618 -4.748 2.034 1.00 0.00 H new ATOM 164 N GLY A 40 17.789 -4.088 2.028 1.00 0.00 N ATOM 165 CA GLY A 40 18.831 -3.347 1.382 1.00 0.00 C ATOM 166 C GLY A 40 18.574 -1.861 1.428 1.00 0.00 C ATOM 167 O GLY A 40 19.358 -1.059 0.902 1.00 0.00 O ATOM 0 H GLY A 40 18.036 -4.440 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.784 -3.566 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.916 -3.669 0.344 1.00 0.00 H new ATOM 171 N GLY A 41 17.469 -1.494 2.058 1.00 0.00 N ATOM 172 CA GLY A 41 17.059 -0.123 2.117 1.00 0.00 C ATOM 173 C GLY A 41 16.317 0.283 0.867 1.00 0.00 C ATOM 174 O GLY A 41 15.850 1.407 0.753 1.00 0.00 O ATOM 0 H GLY A 41 16.843 -2.142 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.421 0.031 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.933 0.515 2.247 1.00 0.00 H new ATOM 178 N LEU A 42 16.204 -0.641 -0.069 1.00 0.00 N ATOM 179 CA LEU A 42 15.565 -0.375 -1.323 1.00 0.00 C ATOM 180 C LEU A 42 14.090 -0.692 -1.255 1.00 0.00 C ATOM 181 O LEU A 42 13.259 0.025 -1.811 1.00 0.00 O ATOM 182 CB LEU A 42 16.229 -1.191 -2.425 1.00 0.00 C ATOM 183 CG LEU A 42 17.726 -0.938 -2.666 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.236 -1.816 -3.799 1.00 0.00 C ATOM 185 CD2 LEU A 42 17.993 0.533 -2.969 1.00 0.00 C ATOM 0 H LEU A 42 16.556 -1.593 0.029 1.00 0.00 H new ATOM 0 HA LEU A 42 15.673 0.686 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.096 -2.248 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.697 -1.000 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 42 18.264 -1.196 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.297 -1.625 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.090 -2.865 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.686 -1.588 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.060 0.682 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.442 0.826 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.668 1.143 -2.126 1.00 0.00 H new ATOM 197 N HIS A 43 13.760 -1.736 -0.544 1.00 0.00 N ATOM 198 CA HIS A 43 12.383 -2.172 -0.467 1.00 0.00 C ATOM 199 C HIS A 43 11.689 -1.486 0.668 1.00 0.00 C ATOM 200 O HIS A 43 11.674 -1.971 1.803 1.00 0.00 O ATOM 201 CB HIS A 43 12.235 -3.691 -0.335 1.00 0.00 C ATOM 202 CG HIS A 43 12.896 -4.481 -1.431 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.314 -4.701 -2.642 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.092 -5.114 -1.476 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.103 -5.434 -3.388 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.191 -5.696 -2.706 1.00 0.00 N ATOM 0 H HIS A 43 14.419 -2.302 -0.010 1.00 0.00 H new ATOM 0 HA HIS A 43 11.915 -1.895 -1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.653 -4.002 0.622 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.174 -3.939 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.829 -5.151 -0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.893 -5.766 -4.394 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.983 -6.245 -3.040 1.00 0.00 H new ATOM 215 N ARG A 44 11.186 -0.340 0.383 1.00 0.00 N ATOM 216 CA ARG A 44 10.485 0.428 1.349 1.00 0.00 C ATOM 217 C ARG A 44 9.214 1.003 0.812 1.00 0.00 C ATOM 218 O ARG A 44 9.044 1.150 -0.400 1.00 0.00 O ATOM 219 CB ARG A 44 11.389 1.525 1.958 1.00 0.00 C ATOM 220 CG ARG A 44 12.169 2.432 0.979 1.00 0.00 C ATOM 221 CD ARG A 44 11.290 3.329 0.109 1.00 0.00 C ATOM 222 NE ARG A 44 12.098 4.205 -0.748 1.00 0.00 N ATOM 223 CZ ARG A 44 11.632 4.963 -1.752 1.00 0.00 C ATOM 224 NH1 ARG A 44 10.348 4.920 -2.089 1.00 0.00 N ATOM 225 NH2 ARG A 44 12.463 5.740 -2.434 1.00 0.00 N ATOM 0 H ARG A 44 11.249 0.097 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 44 10.202 -0.257 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.767 2.164 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.111 1.040 2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.852 3.059 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.780 1.804 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.639 2.712 -0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.645 3.935 0.745 1.00 0.00 H new ATOM 0 HE ARG A 44 13.101 4.240 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.708 4.307 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.002 5.500 -2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.454 5.760 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.111 6.317 -3.198 1.00 0.00 H new ATOM 239 N CYS A 45 8.312 1.274 1.704 1.00 0.00 N ATOM 240 CA CYS A 45 7.108 1.988 1.375 1.00 0.00 C ATOM 241 C CYS A 45 7.350 3.434 1.733 1.00 0.00 C ATOM 242 O CYS A 45 7.562 3.750 2.906 1.00 0.00 O ATOM 243 CB CYS A 45 5.886 1.418 2.131 1.00 0.00 C ATOM 244 SG CYS A 45 4.313 2.349 1.901 1.00 0.00 S ATOM 0 H CYS A 45 8.386 1.007 2.686 1.00 0.00 H new ATOM 0 HA CYS A 45 6.878 1.885 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.729 0.388 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.119 1.389 3.195 1.00 0.00 H new ATOM 249 N LEU A 46 7.323 4.299 0.748 1.00 0.00 N ATOM 250 CA LEU A 46 7.610 5.698 0.925 1.00 0.00 C ATOM 251 C LEU A 46 6.551 6.328 1.781 1.00 0.00 C ATOM 252 O LEU A 46 6.840 7.139 2.659 1.00 0.00 O ATOM 253 CB LEU A 46 7.657 6.372 -0.438 1.00 0.00 C ATOM 254 CG LEU A 46 8.014 7.833 -0.454 1.00 0.00 C ATOM 255 CD1 LEU A 46 9.403 8.066 0.136 1.00 0.00 C ATOM 256 CD2 LEU A 46 7.911 8.405 -1.854 1.00 0.00 C ATOM 0 H LEU A 46 7.097 4.044 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 46 8.574 5.818 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.378 5.838 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.682 6.254 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 46 7.294 8.359 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.635 9.131 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.424 7.714 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.143 7.520 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.175 9.462 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.594 7.872 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.890 8.292 -2.219 1.00 0.00 H new ATOM 268 N ALA A 47 5.331 5.907 1.550 1.00 0.00 N ATOM 269 CA ALA A 47 4.177 6.401 2.289 1.00 0.00 C ATOM 270 C ALA A 47 4.257 6.065 3.790 1.00 0.00 C ATOM 271 O ALA A 47 3.557 6.660 4.594 1.00 0.00 O ATOM 272 CB ALA A 47 2.890 5.858 1.686 1.00 0.00 C ATOM 0 H ALA A 47 5.102 5.209 0.842 1.00 0.00 H new ATOM 0 HA ALA A 47 4.179 7.488 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.037 6.236 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.811 6.180 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.899 4.769 1.729 1.00 0.00 H new ATOM 278 N CYS A 48 5.105 5.106 4.155 1.00 0.00 N ATOM 279 CA CYS A 48 5.249 4.744 5.557 1.00 0.00 C ATOM 280 C CYS A 48 6.634 5.004 6.099 1.00 0.00 C ATOM 281 O CYS A 48 6.847 4.923 7.308 1.00 0.00 O ATOM 282 CB CYS A 48 4.790 3.305 5.820 1.00 0.00 C ATOM 283 SG CYS A 48 3.111 3.104 5.465 1.00 0.00 S ATOM 0 H CYS A 48 5.692 4.576 3.511 1.00 0.00 H new ATOM 0 HA CYS A 48 4.585 5.407 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.377 2.617 5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.977 3.047 6.862 1.00 0.00 H new ATOM 288 N ALA A 49 7.573 5.311 5.198 1.00 0.00 N ATOM 289 CA ALA A 49 8.981 5.564 5.540 1.00 0.00 C ATOM 290 C ALA A 49 9.619 4.340 6.207 1.00 0.00 C ATOM 291 O ALA A 49 10.688 4.428 6.794 1.00 0.00 O ATOM 292 CB ALA A 49 9.121 6.806 6.424 1.00 0.00 C ATOM 0 H ALA A 49 7.377 5.392 4.200 1.00 0.00 H new ATOM 0 HA ALA A 49 9.517 5.754 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.173 6.968 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.730 7.675 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.560 6.661 7.347 1.00 0.00 H new ATOM 298 N ARG A 50 8.985 3.194 6.053 1.00 0.00 N ATOM 299 CA ARG A 50 9.450 1.979 6.675 1.00 0.00 C ATOM 300 C ARG A 50 10.090 1.107 5.649 1.00 0.00 C ATOM 301 O ARG A 50 9.624 1.029 4.499 1.00 0.00 O ATOM 302 CB ARG A 50 8.310 1.201 7.349 1.00 0.00 C ATOM 303 CG ARG A 50 7.574 1.945 8.455 1.00 0.00 C ATOM 304 CD ARG A 50 8.486 2.317 9.617 1.00 0.00 C ATOM 305 NE ARG A 50 9.055 1.145 10.303 1.00 0.00 N ATOM 306 CZ ARG A 50 9.824 1.200 11.409 1.00 0.00 C ATOM 307 NH1 ARG A 50 10.123 2.373 11.960 1.00 0.00 N ATOM 308 NH2 ARG A 50 10.287 0.081 11.951 1.00 0.00 N ATOM 0 H ARG A 50 8.138 3.083 5.496 1.00 0.00 H new ATOM 0 HA ARG A 50 10.169 2.260 7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.588 0.914 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.718 0.279 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.127 2.850 8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.757 1.325 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.298 2.944 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.924 2.914 10.336 1.00 0.00 H new ATOM 0 HE ARG A 50 8.853 0.224 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.770 3.236 11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.705 2.410 12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.061 -0.821 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.869 0.122 12.788 1.00 0.00 H new ATOM 322 N TYR A 51 11.129 0.459 6.055 1.00 0.00 N ATOM 323 CA TYR A 51 11.886 -0.409 5.239 1.00 0.00 C ATOM 324 C TYR A 51 11.556 -1.822 5.633 1.00 0.00 C ATOM 325 O TYR A 51 11.453 -2.122 6.820 1.00 0.00 O ATOM 326 CB TYR A 51 13.360 -0.147 5.501 1.00 0.00 C ATOM 327 CG TYR A 51 13.839 1.245 5.152 1.00 0.00 C ATOM 328 CD1 TYR A 51 13.755 2.288 6.067 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.381 1.513 3.912 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.196 3.552 5.751 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.824 2.775 3.587 1.00 0.00 C ATOM 332 CZ TYR A 51 14.729 3.788 4.507 1.00 0.00 C ATOM 333 OH TYR A 51 15.175 5.047 4.181 1.00 0.00 O ATOM 0 H TYR A 51 11.484 0.528 7.009 1.00 0.00 H new ATOM 0 HA TYR A 51 11.663 -0.250 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.563 -0.330 6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.947 -0.869 4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.335 2.102 7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.459 0.719 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.124 4.351 6.474 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.245 2.967 2.611 1.00 0.00 H new ATOM 0 HH TYR A 51 15.523 5.044 3.265 1.00 0.00 H new ATOM 343 N PHE A 52 11.381 -2.680 4.670 1.00 0.00 N ATOM 344 CA PHE A 52 11.011 -4.045 4.953 1.00 0.00 C ATOM 345 C PHE A 52 12.119 -4.954 4.512 1.00 0.00 C ATOM 346 O PHE A 52 12.754 -4.696 3.496 1.00 0.00 O ATOM 347 CB PHE A 52 9.704 -4.397 4.253 1.00 0.00 C ATOM 348 CG PHE A 52 8.562 -3.487 4.645 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.389 -2.264 4.017 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.676 -3.849 5.638 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.361 -1.424 4.370 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.638 -3.008 5.995 1.00 0.00 C ATOM 353 CZ PHE A 52 6.486 -1.792 5.357 1.00 0.00 C ATOM 0 H PHE A 52 11.488 -2.463 3.679 1.00 0.00 H new ATOM 0 HA PHE A 52 10.856 -4.168 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.850 -4.344 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.438 -5.427 4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.074 -1.966 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.794 -4.797 6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.243 -0.474 3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.947 -3.301 6.772 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.678 -1.132 5.636 1.00 0.00 H new ATOM 363 N ILE A 53 12.342 -6.023 5.257 1.00 0.00 N ATOM 364 CA ILE A 53 13.460 -6.915 5.034 1.00 0.00 C ATOM 365 C ILE A 53 13.408 -7.605 3.678 1.00 0.00 C ATOM 366 O ILE A 53 14.442 -7.995 3.132 1.00 0.00 O ATOM 367 CB ILE A 53 13.593 -7.961 6.158 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.340 -8.859 6.240 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.875 -7.277 7.496 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.426 -9.958 7.283 1.00 0.00 C ATOM 0 H ILE A 53 11.746 -6.296 6.039 1.00 0.00 H new ATOM 0 HA ILE A 53 14.346 -6.280 5.043 1.00 0.00 H new ATOM 0 HB ILE A 53 14.439 -8.606 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.474 -8.235 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.168 -9.313 5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.966 -8.031 8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.805 -6.712 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.056 -6.600 7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.505 -10.541 7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.270 -10.609 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.565 -9.514 8.269 1.00 0.00 H new ATOM 382 N ASP A 54 12.226 -7.744 3.134 1.00 0.00 N ATOM 383 CA ASP A 54 12.079 -8.353 1.839 1.00 0.00 C ATOM 384 C ASP A 54 10.945 -7.695 1.113 1.00 0.00 C ATOM 385 O ASP A 54 10.010 -7.193 1.753 1.00 0.00 O ATOM 386 CB ASP A 54 11.852 -9.873 1.959 1.00 0.00 C ATOM 387 CG ASP A 54 11.730 -10.561 0.616 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.767 -10.871 0.001 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.604 -10.811 0.165 1.00 0.00 O ATOM 0 H ASP A 54 11.353 -7.444 3.568 1.00 0.00 H new ATOM 0 HA ASP A 54 12.999 -8.211 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.679 -10.316 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.946 -10.055 2.538 1.00 0.00 H new ATOM 394 N SER A 55 11.021 -7.688 -0.197 1.00 0.00 N ATOM 395 CA SER A 55 10.023 -7.094 -1.054 1.00 0.00 C ATOM 396 C SER A 55 8.644 -7.696 -0.806 1.00 0.00 C ATOM 397 O SER A 55 7.649 -7.001 -0.879 1.00 0.00 O ATOM 398 CB SER A 55 10.462 -7.295 -2.499 1.00 0.00 C ATOM 399 OG SER A 55 10.757 -8.657 -2.748 1.00 0.00 O ATOM 0 H SER A 55 11.798 -8.106 -0.709 1.00 0.00 H new ATOM 0 HA SER A 55 9.938 -6.029 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.674 -6.959 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.341 -6.684 -2.706 1.00 0.00 H new ATOM 0 HG SER A 55 11.035 -8.766 -3.681 1.00 0.00 H new ATOM 405 N THR A 56 8.605 -8.975 -0.463 1.00 0.00 N ATOM 406 CA THR A 56 7.362 -9.659 -0.208 1.00 0.00 C ATOM 407 C THR A 56 6.684 -9.094 1.052 1.00 0.00 C ATOM 408 O THR A 56 5.466 -9.002 1.121 1.00 0.00 O ATOM 409 CB THR A 56 7.608 -11.154 -0.059 1.00 0.00 C ATOM 410 OG1 THR A 56 8.381 -11.606 -1.194 1.00 0.00 O ATOM 411 CG2 THR A 56 6.304 -11.935 0.002 1.00 0.00 C ATOM 0 H THR A 56 9.434 -9.559 -0.356 1.00 0.00 H new ATOM 0 HA THR A 56 6.695 -9.499 -1.055 1.00 0.00 H new ATOM 0 HB THR A 56 8.144 -11.327 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.335 -11.465 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.521 -12.998 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.717 -11.597 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.738 -11.770 -0.915 1.00 0.00 H new ATOM 419 N ASN A 57 7.490 -8.670 2.027 1.00 0.00 N ATOM 420 CA ASN A 57 6.982 -8.067 3.232 1.00 0.00 C ATOM 421 C ASN A 57 6.402 -6.724 2.912 1.00 0.00 C ATOM 422 O ASN A 57 5.333 -6.360 3.388 1.00 0.00 O ATOM 423 CB ASN A 57 8.094 -7.936 4.272 1.00 0.00 C ATOM 424 CG ASN A 57 8.443 -9.233 4.962 1.00 0.00 C ATOM 425 OD1 ASN A 57 9.405 -9.935 4.436 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 7.852 -9.588 5.982 1.00 0.00 N flip ATOM 0 H ASN A 57 8.507 -8.740 1.992 1.00 0.00 H new ATOM 0 HA ASN A 57 6.201 -8.703 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.987 -7.542 3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.791 -7.206 5.023 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.103 -9.011 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.111 -10.459 6.445 1.00 0.00 H new ATOM 433 N LEU A 58 7.105 -6.013 2.080 1.00 0.00 N ATOM 434 CA LEU A 58 6.694 -4.725 1.614 1.00 0.00 C ATOM 435 C LEU A 58 5.379 -4.828 0.820 1.00 0.00 C ATOM 436 O LEU A 58 4.428 -4.091 1.081 1.00 0.00 O ATOM 437 CB LEU A 58 7.875 -4.089 0.822 1.00 0.00 C ATOM 438 CG LEU A 58 7.642 -2.786 0.066 1.00 0.00 C ATOM 439 CD1 LEU A 58 6.986 -3.028 -1.263 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.849 -1.818 0.910 1.00 0.00 C ATOM 0 H LEU A 58 8.000 -6.321 1.699 1.00 0.00 H new ATOM 0 HA LEU A 58 6.466 -4.059 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.690 -3.920 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.225 -4.829 0.102 1.00 0.00 H new ATOM 0 HG LEU A 58 8.614 -2.336 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.836 -2.077 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.623 -3.670 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.022 -3.514 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.693 -0.894 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.884 -2.259 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.397 -1.601 1.827 1.00 0.00 H new ATOM 452 N LYS A 59 5.348 -5.729 -0.124 1.00 0.00 N ATOM 453 CA LYS A 59 4.137 -5.986 -0.927 1.00 0.00 C ATOM 454 C LYS A 59 2.950 -6.423 -0.061 1.00 0.00 C ATOM 455 O LYS A 59 1.819 -5.950 -0.262 1.00 0.00 O ATOM 456 CB LYS A 59 4.389 -7.020 -2.022 1.00 0.00 C ATOM 457 CG LYS A 59 5.411 -6.598 -3.053 1.00 0.00 C ATOM 458 CD LYS A 59 5.553 -7.643 -4.138 1.00 0.00 C ATOM 459 CE LYS A 59 6.581 -7.224 -5.162 1.00 0.00 C ATOM 460 NZ LYS A 59 6.684 -8.193 -6.273 1.00 0.00 N ATOM 0 H LYS A 59 6.146 -6.314 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 59 3.882 -5.037 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.720 -7.949 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.447 -7.234 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.114 -5.647 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.375 -6.438 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.843 -8.595 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.591 -7.799 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.318 -6.244 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.553 -7.122 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.400 -7.867 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.960 -9.123 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.764 -8.272 -6.751 1.00 0.00 H new ATOM 474 N THR A 60 3.197 -7.310 0.903 1.00 0.00 N ATOM 475 CA THR A 60 2.145 -7.769 1.806 1.00 0.00 C ATOM 476 C THR A 60 1.640 -6.600 2.663 1.00 0.00 C ATOM 477 O THR A 60 0.461 -6.524 3.012 1.00 0.00 O ATOM 478 CB THR A 60 2.637 -8.924 2.694 1.00 0.00 C ATOM 479 OG1 THR A 60 3.130 -9.986 1.855 1.00 0.00 O ATOM 480 CG2 THR A 60 1.519 -9.477 3.569 1.00 0.00 C ATOM 0 H THR A 60 4.113 -7.723 1.077 1.00 0.00 H new ATOM 0 HA THR A 60 1.318 -8.147 1.204 1.00 0.00 H new ATOM 0 HB THR A 60 3.424 -8.538 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.096 -9.880 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.906 -10.291 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.138 -8.686 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.713 -9.850 2.937 1.00 0.00 H new ATOM 488 N HIS A 61 2.536 -5.677 2.953 1.00 0.00 N ATOM 489 CA HIS A 61 2.212 -4.458 3.671 1.00 0.00 C ATOM 490 C HIS A 61 1.146 -3.628 2.944 1.00 0.00 C ATOM 491 O HIS A 61 0.358 -2.921 3.579 1.00 0.00 O ATOM 492 CB HIS A 61 3.498 -3.623 3.956 1.00 0.00 C ATOM 493 CG HIS A 61 3.241 -2.169 4.246 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.623 -1.716 5.378 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.430 -1.077 3.468 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.437 -0.425 5.272 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.913 -0.022 4.148 1.00 0.00 N ATOM 0 H HIS A 61 3.520 -5.752 2.694 1.00 0.00 H new ATOM 0 HA HIS A 61 1.781 -4.747 4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.022 -4.063 4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.164 -3.698 3.096 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.351 -2.291 6.176 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.900 -1.051 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.960 0.202 6.011 1.00 0.00 H new ATOM 505 N PHE A 62 1.100 -3.706 1.634 1.00 0.00 N ATOM 506 CA PHE A 62 0.132 -2.906 0.933 1.00 0.00 C ATOM 507 C PHE A 62 -1.210 -3.609 0.867 1.00 0.00 C ATOM 508 O PHE A 62 -2.128 -3.101 0.273 1.00 0.00 O ATOM 509 CB PHE A 62 0.553 -2.512 -0.476 1.00 0.00 C ATOM 510 CG PHE A 62 1.901 -1.915 -0.623 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.267 -0.782 0.081 1.00 0.00 C ATOM 512 CD2 PHE A 62 2.797 -2.482 -1.490 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.523 -0.238 -0.077 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.037 -1.951 -1.662 1.00 0.00 C ATOM 515 CZ PHE A 62 4.418 -0.831 -0.960 1.00 0.00 C ATOM 0 H PHE A 62 1.699 -4.293 1.053 1.00 0.00 H new ATOM 0 HA PHE A 62 0.054 -1.987 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.503 -3.399 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.178 -1.803 -0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.564 -0.321 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.514 -3.364 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.810 0.642 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.727 -2.411 -2.354 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.406 -0.415 -1.094 1.00 0.00 H new ATOM 525 N ARG A 63 -1.336 -4.777 1.501 1.00 0.00 N ATOM 526 CA ARG A 63 -2.633 -5.469 1.525 1.00 0.00 C ATOM 527 C ARG A 63 -3.650 -4.693 2.349 1.00 0.00 C ATOM 528 O ARG A 63 -4.844 -5.030 2.389 1.00 0.00 O ATOM 529 CB ARG A 63 -2.515 -6.928 1.963 1.00 0.00 C ATOM 530 CG ARG A 63 -1.726 -7.789 0.984 1.00 0.00 C ATOM 531 CD ARG A 63 -2.396 -7.824 -0.388 1.00 0.00 C ATOM 532 NE ARG A 63 -1.627 -8.604 -1.353 1.00 0.00 N ATOM 533 CZ ARG A 63 -2.058 -8.962 -2.570 1.00 0.00 C ATOM 534 NH1 ARG A 63 -3.299 -8.671 -2.969 1.00 0.00 N ATOM 535 NH2 ARG A 63 -1.248 -9.627 -3.379 1.00 0.00 N ATOM 0 H ARG A 63 -0.581 -5.255 1.993 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.001 -5.501 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.035 -6.969 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.514 -7.347 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.713 -7.398 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.640 -8.803 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.395 -8.249 -0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.517 -6.806 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.690 -8.899 -1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.931 -8.170 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.614 -8.949 -3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.304 -9.863 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.568 -9.903 -4.307 1.00 0.00 H new ATOM 549 N SER A 64 -3.161 -3.663 3.006 1.00 0.00 N ATOM 550 CA SER A 64 -3.971 -2.697 3.652 1.00 0.00 C ATOM 551 C SER A 64 -4.627 -1.846 2.543 1.00 0.00 C ATOM 552 O SER A 64 -4.001 -0.945 1.956 1.00 0.00 O ATOM 553 CB SER A 64 -3.090 -1.833 4.581 1.00 0.00 C ATOM 554 OG SER A 64 -3.827 -0.818 5.244 1.00 0.00 O ATOM 0 H SER A 64 -2.161 -3.485 3.098 1.00 0.00 H new ATOM 0 HA SER A 64 -4.743 -3.158 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.613 -2.474 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.293 -1.375 3.996 1.00 0.00 H new ATOM 0 HG SER A 64 -3.226 -0.301 5.820 1.00 0.00 H new ATOM 560 N LYS A 65 -5.853 -2.191 2.214 1.00 0.00 N ATOM 561 CA LYS A 65 -6.602 -1.536 1.149 1.00 0.00 C ATOM 562 C LYS A 65 -6.908 -0.072 1.465 1.00 0.00 C ATOM 563 O LYS A 65 -7.071 0.741 0.558 1.00 0.00 O ATOM 564 CB LYS A 65 -7.880 -2.327 0.744 1.00 0.00 C ATOM 565 CG LYS A 65 -8.968 -2.513 1.821 1.00 0.00 C ATOM 566 CD LYS A 65 -8.493 -3.332 3.015 1.00 0.00 C ATOM 567 CE LYS A 65 -9.613 -3.603 3.994 1.00 0.00 C ATOM 568 NZ LYS A 65 -10.694 -4.403 3.385 1.00 0.00 N ATOM 0 H LYS A 65 -6.367 -2.939 2.678 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.949 -1.536 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.333 -1.822 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.571 -3.315 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.299 -1.534 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.834 -3.002 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.080 -4.278 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.688 -2.801 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.217 -4.129 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.019 -2.657 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.280 -4.823 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.284 -3.791 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.281 -5.160 2.804 1.00 0.00 H new ATOM 582 N ASP A 66 -6.964 0.258 2.745 1.00 0.00 N ATOM 583 CA ASP A 66 -7.170 1.644 3.198 1.00 0.00 C ATOM 584 C ASP A 66 -5.967 2.473 2.816 1.00 0.00 C ATOM 585 O ASP A 66 -6.073 3.650 2.462 1.00 0.00 O ATOM 586 CB ASP A 66 -7.335 1.680 4.715 1.00 0.00 C ATOM 587 CG ASP A 66 -7.496 3.079 5.274 1.00 0.00 C ATOM 588 OD1 ASP A 66 -8.650 3.581 5.356 1.00 0.00 O ATOM 589 OD2 ASP A 66 -6.475 3.703 5.655 1.00 0.00 O ATOM 0 H ASP A 66 -6.870 -0.416 3.504 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.069 2.044 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.205 1.085 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.467 1.210 5.178 1.00 0.00 H new ATOM 594 N HIS A 67 -4.837 1.835 2.867 1.00 0.00 N ATOM 595 CA HIS A 67 -3.566 2.442 2.552 1.00 0.00 C ATOM 596 C HIS A 67 -3.447 2.655 1.095 1.00 0.00 C ATOM 597 O HIS A 67 -3.060 3.700 0.665 1.00 0.00 O ATOM 598 CB HIS A 67 -2.468 1.528 2.988 1.00 0.00 C ATOM 599 CG HIS A 67 -1.121 2.028 2.868 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.811 3.330 3.186 1.00 0.00 N ATOM 601 CD2 HIS A 67 -0.023 1.345 2.848 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.443 3.404 3.420 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.964 2.229 3.238 1.00 0.00 N ATOM 0 H HIS A 67 -4.765 0.853 3.135 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.496 3.401 3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.640 1.263 4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.542 0.608 2.409 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.471 4.106 3.228 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.097 0.305 2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.979 4.293 3.719 1.00 0.00 H new ATOM 611 N LYS A 68 -3.754 1.666 0.334 1.00 0.00 N ATOM 612 CA LYS A 68 -3.648 1.824 -1.073 1.00 0.00 C ATOM 613 C LYS A 68 -4.695 2.794 -1.606 1.00 0.00 C ATOM 614 O LYS A 68 -4.481 3.457 -2.618 1.00 0.00 O ATOM 615 CB LYS A 68 -3.564 0.520 -1.794 1.00 0.00 C ATOM 616 CG LYS A 68 -2.340 -0.312 -1.371 1.00 0.00 C ATOM 617 CD LYS A 68 -2.146 -1.477 -2.352 1.00 0.00 C ATOM 618 CE LYS A 68 -3.341 -2.416 -2.374 1.00 0.00 C ATOM 619 NZ LYS A 68 -3.114 -3.577 -3.257 1.00 0.00 N ATOM 0 H LYS A 68 -4.076 0.752 0.654 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.690 2.297 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.471 -0.054 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.520 0.705 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.449 0.316 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.479 -0.694 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.979 -1.082 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.252 -2.036 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.547 -2.765 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.224 -1.872 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.952 -4.192 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.943 -3.246 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.287 -4.111 -2.922 1.00 0.00 H new ATOM 633 N LYS A 69 -5.820 2.862 -0.909 1.00 0.00 N ATOM 634 CA LYS A 69 -6.807 3.921 -1.097 1.00 0.00 C ATOM 635 C LYS A 69 -6.121 5.277 -0.884 1.00 0.00 C ATOM 636 O LYS A 69 -6.224 6.180 -1.711 1.00 0.00 O ATOM 637 CB LYS A 69 -7.909 3.745 -0.055 1.00 0.00 C ATOM 638 CG LYS A 69 -8.827 4.929 0.106 1.00 0.00 C ATOM 639 CD LYS A 69 -9.656 5.198 -1.124 1.00 0.00 C ATOM 640 CE LYS A 69 -10.643 6.323 -0.866 1.00 0.00 C ATOM 641 NZ LYS A 69 -11.457 6.616 -2.051 1.00 0.00 N ATOM 0 H LYS A 69 -6.077 2.182 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.231 3.876 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.507 2.874 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.447 3.529 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.489 4.756 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.234 5.813 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.005 5.462 -1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.193 4.294 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.295 6.052 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.101 7.220 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.256 7.224 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.874 7.105 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.818 5.727 -2.452 1.00 0.00 H new ATOM 655 N ARG A 70 -5.415 5.384 0.238 1.00 0.00 N ATOM 656 CA ARG A 70 -4.623 6.551 0.601 1.00 0.00 C ATOM 657 C ARG A 70 -3.634 6.927 -0.505 1.00 0.00 C ATOM 658 O ARG A 70 -3.380 8.100 -0.750 1.00 0.00 O ATOM 659 CB ARG A 70 -3.877 6.251 1.904 1.00 0.00 C ATOM 660 CG ARG A 70 -4.678 6.410 3.180 1.00 0.00 C ATOM 661 CD ARG A 70 -5.028 7.866 3.417 1.00 0.00 C ATOM 662 NE ARG A 70 -3.815 8.695 3.415 1.00 0.00 N ATOM 663 CZ ARG A 70 -3.648 9.839 4.066 1.00 0.00 C ATOM 664 NH1 ARG A 70 -4.584 10.309 4.864 1.00 0.00 N ATOM 665 NH2 ARG A 70 -2.517 10.501 3.937 1.00 0.00 N ATOM 0 H ARG A 70 -5.378 4.642 0.936 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.290 7.402 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.503 5.228 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.007 6.906 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.591 5.817 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.105 6.027 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.713 8.212 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.545 7.971 4.371 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.027 8.359 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.454 9.792 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.439 11.190 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.776 10.134 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.382 11.381 4.434 1.00 0.00 H new ATOM 679 N LEU A 71 -3.091 5.925 -1.156 1.00 0.00 N ATOM 680 CA LEU A 71 -2.173 6.106 -2.250 1.00 0.00 C ATOM 681 C LEU A 71 -2.876 6.550 -3.519 1.00 0.00 C ATOM 682 O LEU A 71 -2.346 7.371 -4.273 1.00 0.00 O ATOM 683 CB LEU A 71 -1.338 4.853 -2.475 1.00 0.00 C ATOM 684 CG LEU A 71 -0.073 4.707 -1.607 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.365 4.661 -0.124 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.775 3.527 -2.038 1.00 0.00 C ATOM 0 H LEU A 71 -3.279 4.947 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.494 6.913 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.973 3.984 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.038 4.826 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 71 0.505 5.615 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.569 4.557 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.864 5.582 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.011 3.810 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.657 3.460 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.193 2.609 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.086 3.662 -3.074 1.00 0.00 H new ATOM 698 N LYS A 72 -4.061 6.021 -3.755 1.00 0.00 N ATOM 699 CA LYS A 72 -4.872 6.462 -4.885 1.00 0.00 C ATOM 700 C LYS A 72 -5.204 7.927 -4.725 1.00 0.00 C ATOM 701 O LYS A 72 -5.005 8.715 -5.634 1.00 0.00 O ATOM 702 CB LYS A 72 -6.171 5.658 -5.032 1.00 0.00 C ATOM 703 CG LYS A 72 -5.987 4.202 -5.410 1.00 0.00 C ATOM 704 CD LYS A 72 -7.335 3.519 -5.587 1.00 0.00 C ATOM 705 CE LYS A 72 -7.188 2.079 -6.059 1.00 0.00 C ATOM 706 NZ LYS A 72 -6.438 1.234 -5.100 1.00 0.00 N ATOM 0 H LYS A 72 -4.486 5.289 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.285 6.297 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.718 5.706 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.793 6.138 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.413 4.131 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.413 3.690 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.877 3.537 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.932 4.077 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.178 1.650 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.678 2.067 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.455 0.245 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.453 1.563 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.879 1.300 -4.160 1.00 0.00 H new ATOM 720 N GLN A 73 -5.663 8.290 -3.537 1.00 0.00 N ATOM 721 CA GLN A 73 -6.016 9.666 -3.244 1.00 0.00 C ATOM 722 C GLN A 73 -4.787 10.561 -3.311 1.00 0.00 C ATOM 723 O GLN A 73 -4.871 11.690 -3.721 1.00 0.00 O ATOM 724 CB GLN A 73 -6.703 9.775 -1.889 1.00 0.00 C ATOM 725 CG GLN A 73 -7.951 8.906 -1.780 1.00 0.00 C ATOM 726 CD GLN A 73 -9.013 9.210 -2.835 1.00 0.00 C ATOM 727 OE1 GLN A 73 -9.737 8.322 -3.258 1.00 0.00 O ATOM 728 NE2 GLN A 73 -9.152 10.443 -3.221 1.00 0.00 N ATOM 0 H GLN A 73 -5.799 7.645 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.722 10.006 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.999 9.489 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.975 10.815 -1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.660 7.859 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.388 9.038 -0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.534 11.166 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.879 10.688 -3.893 1.00 0.00 H new ATOM 737 N LEU A 74 -3.642 10.011 -2.944 1.00 0.00 N ATOM 738 CA LEU A 74 -2.362 10.719 -3.007 1.00 0.00 C ATOM 739 C LEU A 74 -2.013 11.027 -4.470 1.00 0.00 C ATOM 740 O LEU A 74 -1.512 12.105 -4.796 1.00 0.00 O ATOM 741 CB LEU A 74 -1.282 9.832 -2.335 1.00 0.00 C ATOM 742 CG LEU A 74 0.172 10.365 -2.137 1.00 0.00 C ATOM 743 CD1 LEU A 74 0.952 9.394 -1.266 1.00 0.00 C ATOM 744 CD2 LEU A 74 0.915 10.523 -3.452 1.00 0.00 C ATOM 0 H LEU A 74 -3.567 9.057 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.417 11.670 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.660 9.556 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.211 8.914 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 74 0.092 11.345 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.967 9.765 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.463 9.302 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.985 8.418 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.921 10.896 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.976 9.557 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.382 11.229 -4.089 1.00 0.00 H new ATOM 756 N SER A 75 -2.317 10.089 -5.341 1.00 0.00 N ATOM 757 CA SER A 75 -1.977 10.198 -6.746 1.00 0.00 C ATOM 758 C SER A 75 -3.027 11.007 -7.531 1.00 0.00 C ATOM 759 O SER A 75 -2.810 11.372 -8.690 1.00 0.00 O ATOM 760 CB SER A 75 -1.835 8.791 -7.331 1.00 0.00 C ATOM 761 OG SER A 75 -0.885 8.029 -6.579 1.00 0.00 O ATOM 0 H SER A 75 -2.807 9.228 -5.096 1.00 0.00 H new ATOM 0 HA SER A 75 -1.033 10.736 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.802 8.288 -7.323 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.517 8.854 -8.372 1.00 0.00 H new ATOM 0 HG SER A 75 -1.296 7.727 -5.742 1.00 0.00 H new ATOM 767 N VAL A 76 -4.155 11.264 -6.906 1.00 0.00 N ATOM 768 CA VAL A 76 -5.221 12.026 -7.535 1.00 0.00 C ATOM 769 C VAL A 76 -5.308 13.427 -6.941 1.00 0.00 C ATOM 770 O VAL A 76 -5.312 14.423 -7.659 1.00 0.00 O ATOM 771 CB VAL A 76 -6.596 11.310 -7.385 1.00 0.00 C ATOM 772 CG1 VAL A 76 -7.731 12.143 -7.977 1.00 0.00 C ATOM 773 CG2 VAL A 76 -6.562 9.938 -8.043 1.00 0.00 C ATOM 0 H VAL A 76 -4.362 10.956 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.983 12.101 -8.596 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.785 11.189 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.675 11.612 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.785 13.102 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.544 12.310 -9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.532 9.455 -7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.336 10.049 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.793 9.327 -7.570 1.00 0.00 H new ATOM 783 N GLU A 77 -5.338 13.493 -5.637 1.00 0.00 N ATOM 784 CA GLU A 77 -5.523 14.735 -4.937 1.00 0.00 C ATOM 785 C GLU A 77 -4.193 15.266 -4.434 1.00 0.00 C ATOM 786 O GLU A 77 -3.408 14.525 -3.834 1.00 0.00 O ATOM 787 CB GLU A 77 -6.421 14.514 -3.725 1.00 0.00 C ATOM 788 CG GLU A 77 -7.750 13.860 -4.026 1.00 0.00 C ATOM 789 CD GLU A 77 -8.544 13.612 -2.773 1.00 0.00 C ATOM 790 OE1 GLU A 77 -8.207 12.672 -2.024 1.00 0.00 O ATOM 791 OE2 GLU A 77 -9.523 14.342 -2.524 1.00 0.00 O ATOM 0 H GLU A 77 -5.234 12.682 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.973 15.448 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.886 13.898 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.606 15.477 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.324 14.495 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.582 12.915 -4.543 1.00 0.00 H new ATOM 798 N PRO A 78 -3.896 16.529 -4.691 1.00 0.00 N ATOM 799 CA PRO A 78 -2.741 17.178 -4.101 1.00 0.00 C ATOM 800 C PRO A 78 -3.012 17.434 -2.604 1.00 0.00 C ATOM 801 O PRO A 78 -4.179 17.472 -2.172 1.00 0.00 O ATOM 802 CB PRO A 78 -2.641 18.503 -4.868 1.00 0.00 C ATOM 803 CG PRO A 78 -4.016 18.760 -5.381 1.00 0.00 C ATOM 804 CD PRO A 78 -4.646 17.418 -5.599 1.00 0.00 C ATOM 0 HA PRO A 78 -1.825 16.590 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.306 19.311 -4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.922 18.432 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.593 19.348 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.983 19.329 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.709 17.431 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.557 17.098 -6.637 1.00 0.00 H new ATOM 812 N TYR A 79 -1.977 17.591 -1.825 1.00 0.00 N ATOM 813 CA TYR A 79 -2.141 17.841 -0.404 1.00 0.00 C ATOM 814 C TYR A 79 -2.227 19.327 -0.124 1.00 0.00 C ATOM 815 O TYR A 79 -1.943 20.150 -0.990 1.00 0.00 O ATOM 816 CB TYR A 79 -0.987 17.262 0.419 1.00 0.00 C ATOM 817 CG TYR A 79 -0.872 15.758 0.470 1.00 0.00 C ATOM 818 CD1 TYR A 79 -1.706 15.011 1.289 1.00 0.00 C ATOM 819 CD2 TYR A 79 0.101 15.090 -0.252 1.00 0.00 C ATOM 820 CE1 TYR A 79 -1.576 13.642 1.385 1.00 0.00 C ATOM 821 CE2 TYR A 79 0.232 13.719 -0.170 1.00 0.00 C ATOM 822 CZ TYR A 79 -0.608 13.001 0.654 1.00 0.00 C ATOM 823 OH TYR A 79 -0.460 11.634 0.760 1.00 0.00 O ATOM 0 H TYR A 79 -1.008 17.552 -2.142 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.068 17.348 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.054 17.660 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.081 17.630 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.472 15.512 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.768 15.651 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.232 13.078 2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.989 13.211 -0.749 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.327 11.226 0.967 1.00 0.00 H new ATOM 833 N SER A 80 -2.621 19.659 1.079 1.00 0.00 N ATOM 834 CA SER A 80 -2.670 21.023 1.523 1.00 0.00 C ATOM 835 C SER A 80 -1.282 21.497 1.964 1.00 0.00 C ATOM 836 O SER A 80 -0.725 22.454 1.424 1.00 0.00 O ATOM 837 CB SER A 80 -3.722 21.136 2.610 1.00 0.00 C ATOM 838 OG SER A 80 -3.567 20.078 3.550 1.00 0.00 O ATOM 0 H SER A 80 -2.919 18.982 1.782 1.00 0.00 H new ATOM 0 HA SER A 80 -2.959 21.687 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.633 22.098 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.718 21.098 2.169 1.00 0.00 H new ATOM 0 HG SER A 80 -3.015 20.385 4.300 1.00 0.00 H new ATOM 844 N GLN A 81 -0.759 20.826 2.928 1.00 0.00 N ATOM 845 CA GLN A 81 0.615 21.037 3.403 1.00 0.00 C ATOM 846 C GLN A 81 1.286 19.697 3.604 1.00 0.00 C ATOM 847 O GLN A 81 1.883 19.442 4.620 1.00 0.00 O ATOM 848 CB GLN A 81 0.733 21.970 4.682 1.00 0.00 C ATOM 849 CG GLN A 81 0.217 21.455 6.062 1.00 0.00 C ATOM 850 CD GLN A 81 -1.288 21.363 6.244 1.00 0.00 C ATOM 851 OE1 GLN A 81 -2.034 21.139 5.326 1.00 0.00 O ATOM 852 NE2 GLN A 81 -1.729 21.543 7.454 1.00 0.00 N ATOM 0 H GLN A 81 -1.260 20.096 3.435 1.00 0.00 H new ATOM 0 HA GLN A 81 1.141 21.594 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.785 22.227 4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.202 22.896 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.640 20.465 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.613 22.110 6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.074 21.731 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.730 21.496 7.644 1.00 0.00 H new ATOM 861 N GLU A 82 1.167 18.832 2.587 1.00 0.00 N ATOM 862 CA GLU A 82 1.690 17.437 2.614 1.00 0.00 C ATOM 863 C GLU A 82 0.952 16.628 3.709 1.00 0.00 C ATOM 864 O GLU A 82 1.361 15.534 4.100 1.00 0.00 O ATOM 865 CB GLU A 82 3.245 17.430 2.816 1.00 0.00 C ATOM 866 CG GLU A 82 3.892 16.042 2.797 1.00 0.00 C ATOM 867 CD GLU A 82 5.390 16.069 2.962 1.00 0.00 C ATOM 868 OE1 GLU A 82 5.881 16.203 4.098 1.00 0.00 O ATOM 869 OE2 GLU A 82 6.109 15.949 1.944 1.00 0.00 O ATOM 0 H GLU A 82 0.703 19.072 1.711 1.00 0.00 H new ATOM 0 HA GLU A 82 1.497 16.957 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.701 18.038 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.475 17.909 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.458 15.438 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.648 15.550 1.855 1.00 0.00 H new ATOM 876 N GLU A 83 -0.194 17.190 4.154 1.00 0.00 N ATOM 877 CA GLU A 83 -1.002 16.650 5.258 1.00 0.00 C ATOM 878 C GLU A 83 -0.192 16.773 6.570 1.00 0.00 C ATOM 879 O GLU A 83 -0.505 16.173 7.602 1.00 0.00 O ATOM 880 CB GLU A 83 -1.428 15.189 4.964 1.00 0.00 C ATOM 881 CG GLU A 83 -2.353 14.572 5.995 1.00 0.00 C ATOM 882 CD GLU A 83 -2.640 13.144 5.705 1.00 0.00 C ATOM 883 OE1 GLU A 83 -1.721 12.298 5.853 1.00 0.00 O ATOM 884 OE2 GLU A 83 -3.786 12.826 5.329 1.00 0.00 O ATOM 0 H GLU A 83 -0.584 18.041 3.749 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.923 17.223 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.920 15.158 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.532 14.573 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.901 14.657 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.288 15.131 6.023 1.00 0.00 H new ATOM 891 N ALA A 84 0.822 17.610 6.515 1.00 0.00 N ATOM 892 CA ALA A 84 1.708 17.826 7.613 1.00 0.00 C ATOM 893 C ALA A 84 1.098 18.767 8.634 1.00 0.00 C ATOM 894 O ALA A 84 1.324 19.970 8.609 1.00 0.00 O ATOM 895 CB ALA A 84 3.053 18.351 7.117 1.00 0.00 C ATOM 0 H ALA A 84 1.048 18.163 5.688 1.00 0.00 H new ATOM 0 HA ALA A 84 1.875 16.869 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.717 18.510 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.500 17.624 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.904 19.294 6.591 1.00 0.00 H new ATOM 901 N GLU A 85 0.262 18.219 9.475 1.00 0.00 N ATOM 902 CA GLU A 85 -0.305 18.963 10.573 1.00 0.00 C ATOM 903 C GLU A 85 0.480 18.645 11.823 1.00 0.00 C ATOM 904 O GLU A 85 0.162 19.078 12.924 1.00 0.00 O ATOM 905 CB GLU A 85 -1.789 18.654 10.747 1.00 0.00 C ATOM 906 CG GLU A 85 -2.624 19.038 9.538 1.00 0.00 C ATOM 907 CD GLU A 85 -4.085 18.760 9.729 1.00 0.00 C ATOM 908 OE1 GLU A 85 -4.520 17.624 9.450 1.00 0.00 O ATOM 909 OE2 GLU A 85 -4.825 19.666 10.152 1.00 0.00 O ATOM 0 H GLU A 85 -0.046 17.248 9.421 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.236 20.031 10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.912 17.589 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.164 19.184 11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.485 20.099 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.266 18.491 8.666 1.00 0.00 H new ATOM 916 N ARG A 86 1.524 17.895 11.619 1.00 0.00 N ATOM 917 CA ARG A 86 2.440 17.512 12.640 1.00 0.00 C ATOM 918 C ARG A 86 3.850 17.653 12.091 1.00 0.00 C ATOM 919 O ARG A 86 4.329 16.780 11.369 1.00 0.00 O ATOM 920 CB ARG A 86 2.176 16.066 13.079 1.00 0.00 C ATOM 921 CG ARG A 86 3.157 15.541 14.106 1.00 0.00 C ATOM 922 CD ARG A 86 2.870 14.096 14.457 1.00 0.00 C ATOM 923 NE ARG A 86 3.874 13.570 15.374 1.00 0.00 N ATOM 924 CZ ARG A 86 3.927 12.324 15.835 1.00 0.00 C ATOM 925 NH1 ARG A 86 2.997 11.440 15.489 1.00 0.00 N ATOM 926 NH2 ARG A 86 4.924 11.964 16.636 1.00 0.00 N ATOM 0 H ARG A 86 1.765 17.522 10.701 1.00 0.00 H new ATOM 0 HA ARG A 86 2.316 18.152 13.513 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.168 16.001 13.489 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.206 15.420 12.201 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.172 15.628 13.719 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.105 16.153 15.007 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.882 14.018 14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.852 13.494 13.548 1.00 0.00 H new ATOM 0 HE ARG A 86 4.599 14.214 15.689 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.237 11.716 14.867 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.043 10.486 15.846 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.642 12.642 16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.972 11.010 16.994 1.00 0.00 H new ATOM 940 N ALA A 87 4.475 18.769 12.354 1.00 0.00 N ATOM 941 CA ALA A 87 5.827 18.985 11.892 1.00 0.00 C ATOM 942 C ALA A 87 6.808 18.617 12.988 1.00 0.00 C ATOM 943 O ALA A 87 7.395 17.528 12.970 1.00 0.00 O ATOM 944 CB ALA A 87 6.026 20.426 11.434 1.00 0.00 C ATOM 0 H ALA A 87 4.074 19.543 12.884 1.00 0.00 H new ATOM 0 HA ALA A 87 6.011 18.343 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.052 20.561 11.092 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.339 20.646 10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.829 21.103 12.266 1.00 0.00 H new ATOM 950 N ALA A 88 6.941 19.504 13.951 1.00 0.00 N ATOM 951 CA ALA A 88 7.798 19.332 15.103 1.00 0.00 C ATOM 952 C ALA A 88 7.552 20.475 16.058 1.00 0.00 C ATOM 953 O ALA A 88 8.167 21.552 15.944 1.00 0.00 O ATOM 954 CB ALA A 88 9.280 19.261 14.721 1.00 0.00 C ATOM 0 H ALA A 88 6.440 20.392 13.953 1.00 0.00 H new ATOM 0 HA ALA A 88 7.555 18.381 15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.882 19.132 15.621 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.443 18.417 14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.571 20.184 14.219 1.00 0.00 H new ATOM 960 N GLY A 89 6.608 20.286 16.923 1.00 0.00 N ATOM 961 CA GLY A 89 6.264 21.295 17.870 1.00 0.00 C ATOM 962 C GLY A 89 6.336 20.769 19.259 1.00 0.00 C ATOM 963 O GLY A 89 7.424 20.672 19.835 1.00 0.00 O ATOM 0 H GLY A 89 6.056 19.431 16.992 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.939 22.144 17.763 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.257 21.661 17.668 1.00 0.00 H new ATOM 967 N MET A 90 5.207 20.402 19.792 1.00 0.00 N ATOM 968 CA MET A 90 5.132 19.874 21.123 1.00 0.00 C ATOM 969 C MET A 90 3.956 18.911 21.214 1.00 0.00 C ATOM 970 O MET A 90 2.794 19.301 21.032 1.00 0.00 O ATOM 971 CB MET A 90 4.958 21.012 22.131 1.00 0.00 C ATOM 972 CG MET A 90 5.022 20.570 23.581 1.00 0.00 C ATOM 973 SD MET A 90 4.738 21.920 24.743 1.00 0.00 S ATOM 974 CE MET A 90 6.031 23.074 24.263 1.00 0.00 C ATOM 0 H MET A 90 4.308 20.461 19.313 1.00 0.00 H new ATOM 0 HA MET A 90 6.055 19.343 21.355 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.732 21.760 21.956 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.999 21.498 21.952 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.280 19.790 23.750 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.999 20.128 23.778 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.195 23.792 25.067 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.954 22.527 24.072 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.729 23.603 23.359 1.00 0.00 H new ATOM 984 N GLY A 91 4.247 17.678 21.472 1.00 0.00 N ATOM 985 CA GLY A 91 3.229 16.678 21.578 1.00 0.00 C ATOM 986 C GLY A 91 3.735 15.474 22.303 1.00 0.00 C ATOM 987 O GLY A 91 3.383 15.243 23.463 1.00 0.00 O ATOM 0 H GLY A 91 5.196 17.333 21.616 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.366 17.087 22.103 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.890 16.392 20.582 1.00 0.00 H new ATOM 991 N SER A 92 4.577 14.732 21.650 1.00 0.00 N ATOM 992 CA SER A 92 5.132 13.540 22.208 1.00 0.00 C ATOM 993 C SER A 92 6.470 13.839 22.879 1.00 0.00 C ATOM 994 O SER A 92 7.327 14.532 22.299 1.00 0.00 O ATOM 995 CB SER A 92 5.332 12.517 21.104 1.00 0.00 C ATOM 996 OG SER A 92 4.110 12.270 20.409 1.00 0.00 O ATOM 0 H SER A 92 4.900 14.941 20.705 1.00 0.00 H new ATOM 0 HA SER A 92 4.447 13.146 22.958 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.087 12.875 20.404 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.707 11.586 21.529 1.00 0.00 H new ATOM 0 HG SER A 92 4.264 11.609 19.702 1.00 0.00 H new ATOM 1002 N TYR A 93 6.654 13.346 24.077 1.00 0.00 N ATOM 1003 CA TYR A 93 7.869 13.515 24.763 1.00 0.00 C ATOM 1004 C TYR A 93 8.777 12.317 24.480 1.00 0.00 C ATOM 1005 O TYR A 93 8.307 11.305 23.941 1.00 0.00 O ATOM 1006 CB TYR A 93 7.607 13.680 26.265 1.00 0.00 C ATOM 1007 CG TYR A 93 6.953 12.500 26.962 1.00 0.00 C ATOM 1008 CD1 TYR A 93 5.579 12.336 26.959 1.00 0.00 C ATOM 1009 CD2 TYR A 93 7.722 11.556 27.626 1.00 0.00 C ATOM 1010 CE1 TYR A 93 4.990 11.265 27.594 1.00 0.00 C ATOM 1011 CE2 TYR A 93 7.142 10.482 28.260 1.00 0.00 C ATOM 1012 CZ TYR A 93 5.777 10.338 28.241 1.00 0.00 C ATOM 1013 OH TYR A 93 5.192 9.261 28.873 1.00 0.00 O ATOM 0 H TYR A 93 5.949 12.816 24.590 1.00 0.00 H new ATOM 0 HA TYR A 93 8.370 14.418 24.415 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.557 13.887 26.758 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.976 14.557 26.409 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.959 13.059 26.451 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.796 11.666 27.646 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.916 11.153 27.585 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.757 9.756 28.770 1.00 0.00 H new ATOM 0 HH TYR A 93 5.888 8.703 29.279 1.00 0.00 H new ATOM 1023 N VAL A 94 10.052 12.448 24.850 1.00 0.00 N ATOM 1024 CA VAL A 94 11.107 11.428 24.664 1.00 0.00 C ATOM 1025 C VAL A 94 11.220 10.883 23.218 1.00 0.00 C ATOM 1026 O VAL A 94 12.060 11.411 22.449 1.00 0.00 O ATOM 1027 CB VAL A 94 11.153 10.293 25.775 1.00 0.00 C ATOM 1028 CG1 VAL A 94 9.886 9.453 25.853 1.00 0.00 C ATOM 1029 CG2 VAL A 94 12.375 9.408 25.599 1.00 0.00 C ATOM 0 H VAL A 94 10.399 13.293 25.304 1.00 0.00 H new ATOM 0 HA VAL A 94 12.025 11.993 24.827 1.00 0.00 H new ATOM 0 HB VAL A 94 11.224 10.817 26.728 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.996 8.701 26.634 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.037 10.096 26.085 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.717 8.960 24.896 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.382 8.640 26.372 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.343 8.935 24.618 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.278 10.014 25.681 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.823 1.839 3.598 1.00 0.00 ZN