USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 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 70 ASN : amide:sc= 1.05! C(o=1.5!,f=-9.1!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -174:sc= 0.474 (180deg=-0.129) USER MOD Set 2.1: A 39 GLN : amide:sc= -1.04 K(o=0.78,f=-6.5!) USER MOD Set 2.2: A 40 SER OG : rot 89:sc= 1.69 USER MOD Set 2.3: A 52 ASN : amide:sc= 0.12 K(o=0.78,f=-8!) USER MOD Set 3.1: A 19 THR OG1 : rot 117:sc= 1.16 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.21 K(o=2.4,f=-0.79) USER MOD Set 4.1: A 1 GLY N :NH3+ 135:sc= 0.845 (180deg=-0.592) USER MOD Set 4.2: A 96 THR OG1 : rot -116:sc= 0.971 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 2.33 (180deg=1.95) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -75:sc= 0.41 USER MOD Single : A 14 CYS SG : rot -170:sc= -1.01 USER MOD Single : A 16 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.648 K(o=0.65,f=-4.4!) USER MOD Single : A 26 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.03) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0009) USER MOD Single : A 46 TYR OH : rot 7:sc= 1.34 USER MOD Single : A 47 SER OG : rot 180:sc= 0.128 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 1 USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= 0.553 (180deg=-0.874!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.22) USER MOD Single : A 62 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.2) USER MOD Single : A 63 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.79) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.197 (180deg=-0.197) USER MOD Single : A 65 SER OG : rot 180:sc= 0.924 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 72:sc= 0.757 USER MOD Single : A 74 TYR OH : rot 30:sc=-0.00457 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.852 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0163) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.25) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 1.18 (180deg=1.11) USER MOD Single : A 89 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.998) USER MOD Single : A 92 ASN : amide:sc= 0.684 K(o=0.68,f=-5.1!) USER MOD Single : A 97 TYR OH : rot 130:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.946) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.73 (180deg=-0.404) USER MOD Single : A 102 SER OG : rot -73:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -3.567 2.400 -14.795 1.00 0.00 N ATOM 43 CA GLY A 1 -4.285 3.651 -15.010 1.00 0.00 C ATOM 44 C GLY A 1 -3.281 4.784 -15.207 1.00 0.00 C ATOM 45 O GLY A 1 -2.142 4.525 -15.596 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.999 1.884 -14.002 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.618 1.818 -15.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.572 2.605 -14.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.931 3.567 -15.884 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.929 3.865 -14.157 1.00 0.00 H new ATOM 46 N SER A 2 -3.672 6.026 -14.915 1.00 0.00 N ATOM 47 CA SER A 2 -2.805 7.191 -15.008 1.00 0.00 C ATOM 48 C SER A 2 -2.090 7.450 -13.680 1.00 0.00 C ATOM 49 O SER A 2 -2.582 7.101 -12.611 1.00 0.00 O ATOM 50 CB SER A 2 -3.636 8.411 -15.413 1.00 0.00 C ATOM 51 OG SER A 2 -2.807 9.555 -15.577 1.00 0.00 O ATOM 0 H SER A 2 -4.617 6.249 -14.602 1.00 0.00 H new ATOM 0 HA SER A 2 -2.043 7.003 -15.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.165 8.204 -16.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.392 8.610 -14.653 1.00 0.00 H new ATOM 0 HG SER A 2 -3.357 10.323 -15.837 1.00 0.00 H new ATOM 52 N ALA A 3 -0.926 8.100 -13.752 1.00 0.00 N ATOM 53 CA ALA A 3 -0.249 8.636 -12.579 1.00 0.00 C ATOM 54 C ALA A 3 -1.036 9.831 -12.033 1.00 0.00 C ATOM 55 O ALA A 3 -1.220 9.980 -10.824 1.00 0.00 O ATOM 56 CB ALA A 3 1.176 9.053 -12.956 1.00 0.00 C ATOM 0 H ALA A 3 -0.430 8.267 -14.627 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.195 7.872 -11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.682 9.454 -12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.723 8.186 -13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.138 9.816 -13.733 1.00 0.00 H new ATOM 57 N LYS A 4 -1.510 10.694 -12.938 1.00 0.00 N ATOM 58 CA LYS A 4 -2.443 11.743 -12.560 1.00 0.00 C ATOM 59 C LYS A 4 -3.770 11.069 -12.205 1.00 0.00 C ATOM 60 O LYS A 4 -3.992 9.927 -12.596 1.00 0.00 O ATOM 61 CB LYS A 4 -2.599 12.761 -13.698 1.00 0.00 C ATOM 62 CG LYS A 4 -1.253 13.399 -14.077 1.00 0.00 C ATOM 63 CD LYS A 4 -1.447 14.449 -15.181 1.00 0.00 C ATOM 64 CE LYS A 4 -0.100 15.079 -15.573 1.00 0.00 C ATOM 65 NZ LYS A 4 -0.242 16.081 -16.651 1.00 0.00 N ATOM 0 H LYS A 4 -1.261 10.682 -13.927 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.077 12.301 -11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.027 12.268 -14.571 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.299 13.540 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.804 13.864 -13.199 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.562 12.628 -14.418 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.905 13.985 -16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.131 15.225 -14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.346 15.551 -14.698 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.585 14.295 -15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.691 16.478 -16.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.643 15.627 -17.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.874 16.844 -16.335 1.00 0.00 H new ATOM 66 N LYS A 5 -4.619 11.732 -11.416 1.00 0.00 N ATOM 67 CA LYS A 5 -5.830 11.172 -10.807 1.00 0.00 C ATOM 68 C LYS A 5 -5.444 10.214 -9.672 1.00 0.00 C ATOM 69 O LYS A 5 -5.895 10.376 -8.539 1.00 0.00 O ATOM 70 CB LYS A 5 -6.767 10.526 -11.848 1.00 0.00 C ATOM 71 CG LYS A 5 -8.103 10.104 -11.221 1.00 0.00 C ATOM 72 CD LYS A 5 -8.909 9.205 -12.171 1.00 0.00 C ATOM 73 CE LYS A 5 -10.023 8.473 -11.397 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.248 7.091 -11.865 1.00 0.00 N ATOM 0 H LYS A 5 -4.477 12.713 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.409 11.988 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.952 11.231 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.279 9.656 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.917 9.574 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.687 10.991 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.345 9.806 -12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.248 8.479 -12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.767 8.453 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.951 9.037 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.855 6.589 -11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.712 7.111 -12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.336 6.598 -11.944 1.00 0.00 H new ATOM 75 N GLY A 6 -4.580 9.241 -9.964 1.00 0.00 N ATOM 76 CA GLY A 6 -4.046 8.306 -8.985 1.00 0.00 C ATOM 77 C GLY A 6 -3.486 9.042 -7.766 1.00 0.00 C ATOM 78 O GLY A 6 -3.713 8.636 -6.627 1.00 0.00 O ATOM 0 H GLY A 6 -4.228 9.081 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.831 7.618 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.260 7.705 -9.443 1.00 0.00 H new ATOM 79 N ALA A 7 -2.801 10.166 -8.004 1.00 0.00 N ATOM 80 CA ALA A 7 -2.323 11.055 -6.955 1.00 0.00 C ATOM 81 C ALA A 7 -3.468 11.502 -6.045 1.00 0.00 C ATOM 82 O ALA A 7 -3.374 11.414 -4.823 1.00 0.00 O ATOM 83 CB ALA A 7 -1.632 12.265 -7.592 1.00 0.00 C ATOM 0 H ALA A 7 -2.563 10.482 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.607 10.516 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.273 12.933 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.789 11.927 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.341 12.797 -8.226 1.00 0.00 H new ATOM 84 N THR A 8 -4.556 11.991 -6.637 1.00 0.00 N ATOM 85 CA THR A 8 -5.716 12.483 -5.913 1.00 0.00 C ATOM 86 C THR A 8 -6.345 11.346 -5.103 1.00 0.00 C ATOM 87 O THR A 8 -6.767 11.525 -3.959 1.00 0.00 O ATOM 88 CB THR A 8 -6.698 13.064 -6.939 1.00 0.00 C ATOM 89 OG1 THR A 8 -5.981 13.852 -7.873 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.780 13.917 -6.272 1.00 0.00 C ATOM 0 H THR A 8 -4.653 12.056 -7.650 1.00 0.00 H new ATOM 0 HA THR A 8 -5.436 13.263 -5.205 1.00 0.00 H new ATOM 0 HB THR A 8 -7.194 12.234 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.603 14.225 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.454 14.309 -7.033 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.344 13.305 -5.568 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.313 14.745 -5.739 1.00 0.00 H new ATOM 91 N LEU A 9 -6.398 10.153 -5.695 1.00 0.00 N ATOM 92 CA LEU A 9 -6.911 8.977 -5.034 1.00 0.00 C ATOM 93 C LEU A 9 -6.055 8.682 -3.804 1.00 0.00 C ATOM 94 O LEU A 9 -6.582 8.627 -2.697 1.00 0.00 O ATOM 95 CB LEU A 9 -6.937 7.814 -6.032 1.00 0.00 C ATOM 96 CG LEU A 9 -8.338 7.465 -6.552 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.252 6.948 -5.433 1.00 0.00 C ATOM 98 CD2 LEU A 9 -8.988 8.647 -7.279 1.00 0.00 C ATOM 0 H LEU A 9 -6.082 9.986 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.933 9.133 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.298 8.062 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.508 6.932 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.208 6.659 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.234 6.713 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.818 6.050 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.355 7.714 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.978 8.358 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.078 9.490 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.370 8.935 -8.130 1.00 0.00 H new ATOM 99 N PHE A 10 -4.737 8.554 -3.987 1.00 0.00 N ATOM 100 CA PHE A 10 -3.804 8.387 -2.879 1.00 0.00 C ATOM 101 C PHE A 10 -4.096 9.419 -1.790 1.00 0.00 C ATOM 102 O PHE A 10 -4.324 9.067 -0.632 1.00 0.00 O ATOM 103 CB PHE A 10 -2.355 8.495 -3.367 1.00 0.00 C ATOM 104 CG PHE A 10 -1.338 8.287 -2.263 1.00 0.00 C ATOM 105 CD1 PHE A 10 -0.970 6.980 -1.898 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.884 9.378 -1.496 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.207 6.761 -0.737 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.142 9.155 -0.323 1.00 0.00 C ATOM 109 CZ PHE A 10 0.158 7.844 0.080 1.00 0.00 C ATOM 0 H PHE A 10 -4.293 8.564 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.936 7.391 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.186 7.757 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.201 9.477 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.274 6.143 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.106 10.387 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.099 5.759 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.197 9.993 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.668 7.669 1.016 1.00 0.00 H new ATOM 110 N LYS A 11 -4.136 10.694 -2.189 1.00 0.00 N ATOM 111 CA LYS A 11 -4.340 11.804 -1.273 1.00 0.00 C ATOM 112 C LYS A 11 -5.654 11.691 -0.497 1.00 0.00 C ATOM 113 O LYS A 11 -5.711 12.105 0.658 1.00 0.00 O ATOM 114 CB LYS A 11 -4.198 13.143 -2.007 1.00 0.00 C ATOM 115 CG LYS A 11 -2.717 13.415 -2.307 1.00 0.00 C ATOM 116 CD LYS A 11 -2.525 14.777 -2.981 1.00 0.00 C ATOM 117 CE LYS A 11 -1.024 15.040 -3.179 1.00 0.00 C ATOM 118 NZ LYS A 11 -0.758 16.382 -3.738 1.00 0.00 N ATOM 0 H LYS A 11 -4.027 10.979 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.555 11.759 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.769 13.122 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.609 13.948 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.144 13.382 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.325 12.629 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.039 14.795 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.966 15.564 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.511 14.939 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.610 14.283 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.267 16.513 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.225 16.472 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.129 17.107 -3.091 1.00 0.00 H new ATOM 119 N THR A 12 -6.707 11.144 -1.107 1.00 0.00 N ATOM 120 CA THR A 12 -8.009 11.049 -0.461 1.00 0.00 C ATOM 121 C THR A 12 -8.254 9.697 0.229 1.00 0.00 C ATOM 122 O THR A 12 -9.225 9.581 0.978 1.00 0.00 O ATOM 123 CB THR A 12 -9.113 11.413 -1.463 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.060 10.593 -2.620 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.018 12.881 -1.889 1.00 0.00 C ATOM 0 H THR A 12 -6.679 10.760 -2.051 1.00 0.00 H new ATOM 0 HA THR A 12 -8.028 11.774 0.353 1.00 0.00 H new ATOM 0 HB THR A 12 -10.062 11.247 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.312 10.875 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.814 13.106 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.121 13.521 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.051 13.062 -2.359 1.00 0.00 H new ATOM 126 N ARG A 13 -7.434 8.668 -0.023 1.00 0.00 N ATOM 127 CA ARG A 13 -7.622 7.325 0.534 1.00 0.00 C ATOM 128 C ARG A 13 -6.471 6.996 1.480 1.00 0.00 C ATOM 129 O ARG A 13 -6.680 6.729 2.661 1.00 0.00 O ATOM 130 CB ARG A 13 -7.681 6.261 -0.583 1.00 0.00 C ATOM 131 CG ARG A 13 -9.050 6.044 -1.247 1.00 0.00 C ATOM 132 CD ARG A 13 -9.710 7.301 -1.826 1.00 0.00 C ATOM 133 NE ARG A 13 -10.562 7.973 -0.832 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.497 8.889 -1.119 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.479 9.501 -2.307 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.432 9.197 -0.213 1.00 0.00 N ATOM 0 H ARG A 13 -6.614 8.747 -0.625 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.568 7.312 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.966 6.538 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.348 5.310 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.934 5.314 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.725 5.606 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.940 7.991 -2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.309 7.030 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.431 7.723 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.756 9.270 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.188 10.199 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.433 8.735 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.144 9.894 -0.431 1.00 0.00 H new ATOM 137 N CYS A 14 -5.262 6.950 0.925 1.00 0.00 N ATOM 138 CA CYS A 14 -4.113 6.284 1.514 1.00 0.00 C ATOM 139 C CYS A 14 -3.371 7.252 2.431 1.00 0.00 C ATOM 140 O CYS A 14 -2.965 6.883 3.535 1.00 0.00 O ATOM 141 CB CYS A 14 -3.198 5.797 0.418 1.00 0.00 C ATOM 142 SG CYS A 14 -4.009 4.917 -0.954 1.00 0.00 S ATOM 0 H CYS A 14 -5.054 7.389 0.028 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.448 5.430 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.662 6.654 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.452 5.136 0.859 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.106 4.373 -1.715 1.00 0.00 H new ATOM 143 N LEU A 15 -3.220 8.502 1.973 1.00 0.00 N ATOM 144 CA LEU A 15 -2.491 9.564 2.669 1.00 0.00 C ATOM 145 C LEU A 15 -2.935 9.688 4.126 1.00 0.00 C ATOM 146 O LEU A 15 -2.123 9.997 4.998 1.00 0.00 O ATOM 147 CB LEU A 15 -2.707 10.881 1.918 1.00 0.00 C ATOM 148 CG LEU A 15 -2.035 12.122 2.511 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.573 12.174 2.079 1.00 0.00 C ATOM 150 CD2 LEU A 15 -2.760 13.396 2.064 1.00 0.00 C ATOM 0 H LEU A 15 -3.614 8.808 1.083 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.429 9.318 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.349 10.754 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.779 11.069 1.859 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.087 12.060 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.099 13.059 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.057 11.281 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.516 12.219 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.266 14.266 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.734 13.467 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.796 13.362 2.400 1.00 0.00 H new ATOM 151 N GLN A 16 -4.224 9.445 4.381 1.00 0.00 N ATOM 152 CA GLN A 16 -4.804 9.279 5.706 1.00 0.00 C ATOM 153 C GLN A 16 -3.815 8.588 6.653 1.00 0.00 C ATOM 154 O GLN A 16 -3.469 9.124 7.705 1.00 0.00 O ATOM 155 CB GLN A 16 -6.084 8.444 5.542 1.00 0.00 C ATOM 156 CG GLN A 16 -6.861 8.239 6.850 1.00 0.00 C ATOM 157 CD GLN A 16 -7.960 7.183 6.723 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.286 6.506 7.692 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.547 7.017 5.541 1.00 0.00 N ATOM 0 H GLN A 16 -4.915 9.356 3.636 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.036 10.249 6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.735 8.932 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.821 7.470 5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.168 7.943 7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.306 9.186 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.263 7.589 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.281 6.318 5.430 1.00 0.00 H new ATOM 160 N CYS A 17 -3.375 7.392 6.263 1.00 0.00 N ATOM 161 CA CYS A 17 -2.661 6.458 7.120 1.00 0.00 C ATOM 162 C CYS A 17 -1.182 6.367 6.756 1.00 0.00 C ATOM 163 O CYS A 17 -0.352 6.100 7.630 1.00 0.00 O ATOM 164 CB CYS A 17 -3.301 5.106 6.987 1.00 0.00 C ATOM 165 SG CYS A 17 -4.941 5.090 7.773 1.00 0.00 S ATOM 0 H CYS A 17 -3.511 7.040 5.315 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.720 6.815 8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.395 4.845 5.933 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.664 4.350 7.447 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.473 3.911 7.642 1.00 0.00 H new ATOM 166 N HIS A 18 -0.876 6.563 5.470 1.00 0.00 N ATOM 167 CA HIS A 18 0.442 6.424 4.862 1.00 0.00 C ATOM 168 C HIS A 18 1.024 7.763 4.414 1.00 0.00 C ATOM 169 O HIS A 18 0.387 8.815 4.509 1.00 0.00 O ATOM 170 CB HIS A 18 0.307 5.516 3.636 1.00 0.00 C ATOM 171 CG HIS A 18 0.052 4.086 3.999 1.00 0.00 C ATOM 172 ND1 HIS A 18 1.034 3.153 4.209 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.147 3.434 3.951 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.446 1.953 4.264 1.00 0.00 C ATOM 175 NE2 HIS A 18 -0.881 2.072 4.118 1.00 0.00 N ATOM 0 H HIS A 18 -1.585 6.838 4.790 1.00 0.00 H new ATOM 0 HA HIS A 18 1.116 6.005 5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.508 5.878 3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.218 5.578 3.041 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.032 3.340 4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.118 3.886 3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.968 1.018 4.406 1.00 0.00 H new ATOM 176 N THR A 19 2.244 7.683 3.892 1.00 0.00 N ATOM 177 CA THR A 19 2.937 8.687 3.105 1.00 0.00 C ATOM 178 C THR A 19 3.573 7.943 1.927 1.00 0.00 C ATOM 179 O THR A 19 3.835 6.739 2.020 1.00 0.00 O ATOM 180 CB THR A 19 3.984 9.411 3.964 1.00 0.00 C ATOM 181 OG1 THR A 19 4.570 8.513 4.884 1.00 0.00 O ATOM 182 CG2 THR A 19 3.346 10.539 4.777 1.00 0.00 C ATOM 0 H THR A 19 2.815 6.848 4.021 1.00 0.00 H new ATOM 0 HA THR A 19 2.259 9.459 2.741 1.00 0.00 H new ATOM 0 HB THR A 19 4.732 9.815 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.526 8.421 4.688 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.111 11.034 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.890 11.262 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.581 10.126 5.435 1.00 0.00 H new ATOM 183 N VAL A 20 3.755 8.640 0.807 1.00 0.00 N ATOM 184 CA VAL A 20 4.266 8.108 -0.443 1.00 0.00 C ATOM 185 C VAL A 20 5.714 8.557 -0.650 1.00 0.00 C ATOM 186 O VAL A 20 6.585 7.758 -0.991 1.00 0.00 O ATOM 187 CB VAL A 20 3.320 8.551 -1.575 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.072 10.063 -1.707 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.770 7.989 -2.924 1.00 0.00 C ATOM 0 H VAL A 20 3.539 9.635 0.750 1.00 0.00 H new ATOM 0 HA VAL A 20 4.289 7.018 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 20 2.360 8.130 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.391 10.249 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.631 10.441 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.018 10.572 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.083 8.319 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.774 8.347 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.774 6.900 -2.881 1.00 0.00 H new ATOM 190 N GLU A 21 5.953 9.847 -0.433 1.00 0.00 N ATOM 191 CA GLU A 21 7.201 10.539 -0.650 1.00 0.00 C ATOM 192 C GLU A 21 8.260 10.046 0.338 1.00 0.00 C ATOM 193 O GLU A 21 7.941 9.431 1.353 1.00 0.00 O ATOM 194 CB GLU A 21 6.936 12.051 -0.534 1.00 0.00 C ATOM 195 CG GLU A 21 6.180 12.476 0.743 1.00 0.00 C ATOM 196 CD GLU A 21 4.660 12.367 0.654 1.00 0.00 C ATOM 197 OE1 GLU A 21 4.034 13.335 0.173 1.00 0.00 O ATOM 198 OE2 GLU A 21 4.156 11.281 1.030 1.00 0.00 O ATOM 0 H GLU A 21 5.227 10.469 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 21 7.595 10.333 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.890 12.577 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.363 12.374 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.526 11.862 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.443 13.507 0.978 1.00 0.00 H new ATOM 216 N PRO A 25 7.118 9.689 8.053 1.00 0.00 N ATOM 217 CA PRO A 25 7.240 8.700 9.111 1.00 0.00 C ATOM 218 C PRO A 25 6.226 7.571 8.903 1.00 0.00 C ATOM 219 O PRO A 25 5.206 7.753 8.237 1.00 0.00 O ATOM 220 CB PRO A 25 6.970 9.472 10.405 1.00 0.00 C ATOM 221 CG PRO A 25 6.003 10.569 9.957 1.00 0.00 C ATOM 222 CD PRO A 25 6.484 10.901 8.544 1.00 0.00 C ATOM 0 HA PRO A 25 8.220 8.224 9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.529 8.834 11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.886 9.888 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.970 10.221 9.960 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.048 11.438 10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.651 11.194 7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.186 11.734 8.555 1.00 0.00 H new ATOM 223 N HIS A 26 6.478 6.405 9.507 1.00 0.00 N ATOM 224 CA HIS A 26 5.529 5.302 9.492 1.00 0.00 C ATOM 225 C HIS A 26 4.355 5.647 10.422 1.00 0.00 C ATOM 226 O HIS A 26 4.354 5.249 11.582 1.00 0.00 O ATOM 227 CB HIS A 26 6.224 3.983 9.890 1.00 0.00 C ATOM 228 CG HIS A 26 7.549 3.720 9.215 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.728 3.302 7.918 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.784 3.739 9.812 1.00 0.00 C ATOM 231 CE1 HIS A 26 9.044 3.123 7.729 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.727 3.334 8.863 1.00 0.00 N ATOM 0 H HIS A 26 7.340 6.206 10.015 1.00 0.00 H new ATOM 0 HA HIS A 26 5.138 5.155 8.485 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.379 3.985 10.969 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.551 3.155 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.991 4.018 10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.494 2.845 6.787 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.731 3.222 9.005 1.00 0.00 H new ATOM 233 N LYS A 27 3.397 6.435 9.922 1.00 0.00 N ATOM 234 CA LYS A 27 2.279 6.985 10.681 1.00 0.00 C ATOM 235 C LYS A 27 1.367 5.879 11.234 1.00 0.00 C ATOM 236 O LYS A 27 1.600 5.365 12.324 1.00 0.00 O ATOM 237 CB LYS A 27 1.495 7.937 9.774 1.00 0.00 C ATOM 238 CG LYS A 27 2.229 9.226 9.405 1.00 0.00 C ATOM 239 CD LYS A 27 1.271 10.181 8.677 1.00 0.00 C ATOM 240 CE LYS A 27 0.555 9.468 7.518 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.116 10.389 6.581 1.00 0.00 N ATOM 0 H LYS A 27 3.382 6.715 8.941 1.00 0.00 H new ATOM 0 HA LYS A 27 2.667 7.528 11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.235 7.409 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.559 8.198 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.619 9.703 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.084 8.999 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.534 10.568 9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.827 11.037 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.280 8.869 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.183 8.778 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.519 9.847 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.877 10.895 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.574 11.075 6.214 1.00 0.00 H new ATOM 242 N VAL A 28 0.299 5.532 10.507 1.00 0.00 N ATOM 243 CA VAL A 28 -0.539 4.390 10.838 1.00 0.00 C ATOM 244 C VAL A 28 -0.038 3.225 9.999 1.00 0.00 C ATOM 245 O VAL A 28 0.216 2.154 10.543 1.00 0.00 O ATOM 246 CB VAL A 28 -2.023 4.706 10.597 1.00 0.00 C ATOM 247 CG1 VAL A 28 -2.909 3.466 10.749 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.510 5.735 11.613 1.00 0.00 C ATOM 0 H VAL A 28 -0.003 6.039 9.675 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.471 4.136 11.896 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.099 5.083 9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.949 3.738 10.570 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.602 2.709 10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.807 3.067 11.758 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.563 5.953 11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.388 5.338 12.621 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.928 6.651 11.511 1.00 0.00 H new ATOM 249 N GLY A 29 0.131 3.450 8.694 1.00 0.00 N ATOM 250 CA GLY A 29 0.784 2.527 7.783 1.00 0.00 C ATOM 251 C GLY A 29 2.185 3.052 7.454 1.00 0.00 C ATOM 252 O GLY A 29 2.450 4.242 7.631 1.00 0.00 O ATOM 0 H GLY A 29 -0.193 4.302 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.850 1.537 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.198 2.422 6.870 1.00 0.00 H new ATOM 253 N PRO A 30 3.104 2.189 6.999 1.00 0.00 N ATOM 254 CA PRO A 30 4.476 2.582 6.722 1.00 0.00 C ATOM 255 C PRO A 30 4.589 3.403 5.435 1.00 0.00 C ATOM 256 O PRO A 30 3.743 3.306 4.551 1.00 0.00 O ATOM 257 CB PRO A 30 5.255 1.275 6.603 1.00 0.00 C ATOM 258 CG PRO A 30 4.200 0.279 6.121 1.00 0.00 C ATOM 259 CD PRO A 30 2.934 0.755 6.829 1.00 0.00 C ATOM 0 HA PRO A 30 4.866 3.223 7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.080 1.361 5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.685 0.975 7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.089 0.301 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.456 -0.745 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.046 0.532 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.811 0.257 7.791 1.00 0.00 H new ATOM 260 N ASN A 31 5.659 4.188 5.308 1.00 0.00 N ATOM 261 CA ASN A 31 5.915 4.999 4.122 1.00 0.00 C ATOM 262 C ASN A 31 6.101 4.105 2.890 1.00 0.00 C ATOM 263 O ASN A 31 7.018 3.287 2.857 1.00 0.00 O ATOM 264 CB ASN A 31 7.159 5.862 4.359 1.00 0.00 C ATOM 265 CG ASN A 31 7.221 7.044 3.396 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.062 8.182 3.817 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.427 6.822 2.105 1.00 0.00 N ATOM 0 H ASN A 31 6.375 4.278 6.029 1.00 0.00 H new ATOM 0 HA ASN A 31 5.060 5.649 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.156 6.229 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.053 5.250 4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.454 7.604 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.558 5.869 1.766 1.00 0.00 H new ATOM 268 N LEU A 32 5.280 4.271 1.850 1.00 0.00 N ATOM 269 CA LEU A 32 5.213 3.360 0.708 1.00 0.00 C ATOM 270 C LEU A 32 6.227 3.757 -0.368 1.00 0.00 C ATOM 271 O LEU A 32 5.949 3.717 -1.566 1.00 0.00 O ATOM 272 CB LEU A 32 3.775 3.316 0.172 1.00 0.00 C ATOM 273 CG LEU A 32 2.757 2.832 1.219 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.354 2.835 0.606 1.00 0.00 C ATOM 275 CD2 LEU A 32 3.078 1.418 1.723 1.00 0.00 C ATOM 0 H LEU A 32 4.633 5.056 1.778 1.00 0.00 H new ATOM 0 HA LEU A 32 5.482 2.353 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.490 4.311 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.737 2.657 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 32 2.808 3.514 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.632 2.492 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.097 3.846 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.332 2.169 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.334 1.117 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.062 0.721 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.067 1.411 2.182 1.00 0.00 H new ATOM 276 N HIS A 33 7.427 4.114 0.083 1.00 0.00 N ATOM 277 CA HIS A 33 8.560 4.444 -0.770 1.00 0.00 C ATOM 278 C HIS A 33 9.244 3.150 -1.219 1.00 0.00 C ATOM 279 O HIS A 33 9.314 2.194 -0.447 1.00 0.00 O ATOM 280 CB HIS A 33 9.516 5.358 0.004 1.00 0.00 C ATOM 281 CG HIS A 33 10.889 5.477 -0.604 1.00 0.00 C ATOM 282 ND1 HIS A 33 12.063 5.082 -0.006 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.199 6.014 -1.825 1.00 0.00 C ATOM 284 CE1 HIS A 33 13.065 5.389 -0.847 1.00 0.00 C ATOM 285 NE2 HIS A 33 12.591 5.962 -1.963 1.00 0.00 N ATOM 0 H HIS A 33 7.641 4.183 1.078 1.00 0.00 H new ATOM 0 HA HIS A 33 8.233 4.976 -1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.074 6.352 0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.614 4.983 1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.499 6.405 -2.548 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.110 5.200 -0.651 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.138 6.295 -2.757 1.00 0.00 H new ATOM 286 N GLY A 34 9.739 3.110 -2.464 1.00 0.00 N ATOM 287 CA GLY A 34 10.498 1.987 -3.007 1.00 0.00 C ATOM 288 C GLY A 34 9.788 0.632 -2.903 1.00 0.00 C ATOM 289 O GLY A 34 10.447 -0.401 -2.949 1.00 0.00 O ATOM 0 H GLY A 34 9.618 3.873 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.720 2.187 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.453 1.924 -2.485 1.00 0.00 H new ATOM 290 N ILE A 35 8.460 0.629 -2.762 1.00 0.00 N ATOM 291 CA ILE A 35 7.686 -0.555 -2.405 1.00 0.00 C ATOM 292 C ILE A 35 7.675 -1.597 -3.535 1.00 0.00 C ATOM 293 O ILE A 35 7.944 -2.776 -3.305 1.00 0.00 O ATOM 294 CB ILE A 35 6.290 -0.102 -1.925 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.375 -1.244 -1.462 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.502 0.690 -2.966 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.722 -1.694 -0.054 1.00 0.00 C ATOM 0 H ILE A 35 7.887 1.463 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 35 8.157 -1.084 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 35 6.545 0.534 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.336 -0.916 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.466 -2.086 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.534 0.971 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.056 1.589 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.353 0.076 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.056 -2.504 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.754 -2.045 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.606 -0.857 0.634 1.00 0.00 H new ATOM 298 N PHE A 36 7.359 -1.161 -4.759 1.00 0.00 N ATOM 299 CA PHE A 36 7.211 -2.015 -5.923 1.00 0.00 C ATOM 300 C PHE A 36 8.494 -2.788 -6.188 1.00 0.00 C ATOM 301 O PHE A 36 9.483 -2.231 -6.655 1.00 0.00 O ATOM 302 CB PHE A 36 6.786 -1.208 -7.154 1.00 0.00 C ATOM 303 CG PHE A 36 5.325 -0.815 -7.097 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.335 -1.739 -7.483 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.950 0.350 -6.412 1.00 0.00 C ATOM 306 CE1 PHE A 36 2.985 -1.488 -7.184 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.626 0.538 -6.014 1.00 0.00 C ATOM 308 CZ PHE A 36 2.628 -0.353 -6.441 1.00 0.00 C ATOM 0 H PHE A 36 7.196 -0.175 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 36 6.419 -2.735 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.400 -0.311 -7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.969 -1.796 -8.054 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.613 -2.640 -8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.690 1.105 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.221 -2.170 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.368 1.371 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.592 -0.166 -6.199 1.00 0.00 H new ATOM 309 N GLY A 37 8.445 -4.086 -5.904 1.00 0.00 N ATOM 310 CA GLY A 37 9.555 -4.994 -6.139 1.00 0.00 C ATOM 311 C GLY A 37 10.576 -4.988 -5.004 1.00 0.00 C ATOM 312 O GLY A 37 11.704 -5.436 -5.209 1.00 0.00 O ATOM 0 H GLY A 37 7.624 -4.538 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.170 -6.005 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.052 -4.720 -7.070 1.00 0.00 H new ATOM 313 N ARG A 38 10.200 -4.514 -3.811 1.00 0.00 N ATOM 314 CA ARG A 38 10.996 -4.727 -2.612 1.00 0.00 C ATOM 315 C ARG A 38 10.571 -6.074 -2.022 1.00 0.00 C ATOM 316 O ARG A 38 10.861 -7.118 -2.601 1.00 0.00 O ATOM 317 CB ARG A 38 10.838 -3.518 -1.674 1.00 0.00 C ATOM 318 CG ARG A 38 11.805 -3.464 -0.477 1.00 0.00 C ATOM 319 CD ARG A 38 13.250 -3.119 -0.876 1.00 0.00 C ATOM 320 NE ARG A 38 13.999 -4.285 -1.374 1.00 0.00 N ATOM 321 CZ ARG A 38 14.564 -5.230 -0.606 1.00 0.00 C ATOM 322 NH1 ARG A 38 14.432 -5.175 0.724 1.00 0.00 N ATOM 323 NH2 ARG A 38 15.257 -6.225 -1.171 1.00 0.00 N ATOM 0 H ARG A 38 9.345 -3.979 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 38 12.066 -4.787 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.966 -2.608 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.817 -3.510 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.446 -2.723 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.796 -4.428 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.235 -2.347 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.770 -2.700 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 38 14.096 -4.383 -2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.903 -4.416 1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.861 -5.892 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.356 -6.266 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.686 -6.943 -0.587 1.00 0.00 H new ATOM 324 N GLN A 39 9.891 -6.067 -0.875 1.00 0.00 N ATOM 325 CA GLN A 39 9.182 -7.174 -0.280 1.00 0.00 C ATOM 326 C GLN A 39 8.240 -6.517 0.730 1.00 0.00 C ATOM 327 O GLN A 39 8.304 -5.304 0.937 1.00 0.00 O ATOM 328 CB GLN A 39 10.204 -8.055 0.421 1.00 0.00 C ATOM 329 CG GLN A 39 9.933 -9.559 0.514 1.00 0.00 C ATOM 330 CD GLN A 39 9.068 -9.855 1.718 1.00 0.00 C ATOM 331 OE1 GLN A 39 7.886 -10.109 1.560 1.00 0.00 O ATOM 332 NE2 GLN A 39 9.614 -9.727 2.920 1.00 0.00 N ATOM 0 H GLN A 39 9.823 -5.223 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 39 8.633 -7.792 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.160 -7.921 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.326 -7.677 1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.438 -9.904 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.875 -10.103 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.608 -9.514 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.040 -9.842 3.756 1.00 0.00 H new ATOM 333 N SER A 40 7.424 -7.321 1.390 1.00 0.00 N ATOM 334 CA SER A 40 6.490 -6.891 2.409 1.00 0.00 C ATOM 335 C SER A 40 7.185 -6.964 3.763 1.00 0.00 C ATOM 336 O SER A 40 7.887 -7.936 4.049 1.00 0.00 O ATOM 337 CB SER A 40 5.203 -7.718 2.315 1.00 0.00 C ATOM 338 OG SER A 40 5.343 -9.028 2.818 1.00 0.00 O ATOM 0 H SER A 40 7.395 -8.327 1.223 1.00 0.00 H new ATOM 0 HA SER A 40 6.184 -5.855 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.411 -7.208 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.887 -7.768 1.273 1.00 0.00 H new ATOM 0 HG SER A 40 5.147 -9.032 3.778 1.00 0.00 H new ATOM 339 N GLY A 41 7.057 -5.913 4.575 1.00 0.00 N ATOM 340 CA GLY A 41 7.874 -5.807 5.770 1.00 0.00 C ATOM 341 C GLY A 41 9.195 -5.105 5.443 1.00 0.00 C ATOM 342 O GLY A 41 10.252 -5.731 5.499 1.00 0.00 O ATOM 0 H GLY A 41 6.407 -5.141 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.338 -5.250 6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.071 -6.800 6.175 1.00 0.00 H new ATOM 370 N TYR A 46 9.054 0.534 13.317 1.00 0.00 N ATOM 371 CA TYR A 46 7.609 0.558 13.161 1.00 0.00 C ATOM 372 C TYR A 46 6.989 -0.783 13.581 1.00 0.00 C ATOM 373 O TYR A 46 7.575 -1.847 13.388 1.00 0.00 O ATOM 374 CB TYR A 46 7.289 0.953 11.715 1.00 0.00 C ATOM 375 CG TYR A 46 5.849 0.734 11.311 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.848 1.643 11.703 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.507 -0.403 10.561 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.508 1.414 11.350 1.00 0.00 C ATOM 379 CE2 TYR A 46 4.179 -0.594 10.162 1.00 0.00 C ATOM 380 CZ TYR A 46 3.173 0.275 10.602 1.00 0.00 C ATOM 381 OH TYR A 46 1.889 0.056 10.213 1.00 0.00 O ATOM 0 HA TYR A 46 7.161 1.300 13.822 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.537 2.005 11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.932 0.383 11.045 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.111 2.519 12.277 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.264 -1.126 10.294 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.740 2.110 11.652 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.928 -1.418 9.510 1.00 0.00 H new ATOM 0 HH TYR A 46 1.342 0.838 10.435 1.00 0.00 H new ATOM 382 N SER A 47 5.803 -0.719 14.194 1.00 0.00 N ATOM 383 CA SER A 47 5.090 -1.835 14.792 1.00 0.00 C ATOM 384 C SER A 47 4.456 -2.721 13.714 1.00 0.00 C ATOM 385 O SER A 47 3.271 -2.599 13.408 1.00 0.00 O ATOM 386 CB SER A 47 4.058 -1.249 15.768 1.00 0.00 C ATOM 387 OG SER A 47 3.671 0.054 15.350 1.00 0.00 O ATOM 0 H SER A 47 5.295 0.160 14.287 1.00 0.00 H new ATOM 0 HA SER A 47 5.769 -2.488 15.340 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.184 -1.898 15.817 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.480 -1.206 16.772 1.00 0.00 H new ATOM 0 HG SER A 47 3.012 0.417 15.978 1.00 0.00 H new ATOM 388 N TYR A 48 5.268 -3.612 13.146 1.00 0.00 N ATOM 389 CA TYR A 48 4.878 -4.523 12.083 1.00 0.00 C ATOM 390 C TYR A 48 4.139 -5.763 12.580 1.00 0.00 C ATOM 391 O TYR A 48 3.769 -5.841 13.751 1.00 0.00 O ATOM 392 CB TYR A 48 6.145 -4.927 11.326 1.00 0.00 C ATOM 393 CG TYR A 48 6.300 -4.272 9.981 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.220 -4.090 9.089 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.598 -3.968 9.572 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.423 -3.421 7.870 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.804 -3.453 8.298 1.00 0.00 C ATOM 398 CZ TYR A 48 6.723 -3.057 7.494 1.00 0.00 C ATOM 399 OH TYR A 48 6.980 -2.523 6.268 1.00 0.00 O ATOM 0 H TYR A 48 6.243 -3.719 13.425 1.00 0.00 H new ATOM 0 HA TYR A 48 4.172 -4.005 11.434 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.013 -4.682 11.938 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.144 -6.009 11.192 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.240 -4.465 9.344 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.433 -4.131 10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.585 -3.190 7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.811 -3.356 7.920 1.00 0.00 H new ATOM 0 HH TYR A 48 7.938 -2.333 6.188 1.00 0.00 H new ATOM 400 N THR A 49 3.940 -6.738 11.677 1.00 0.00 N ATOM 401 CA THR A 49 3.198 -7.955 11.989 1.00 0.00 C ATOM 402 C THR A 49 3.914 -9.245 11.578 1.00 0.00 C ATOM 403 O THR A 49 4.449 -9.374 10.474 1.00 0.00 O ATOM 404 CB THR A 49 1.791 -7.909 11.381 1.00 0.00 C ATOM 405 OG1 THR A 49 1.829 -7.915 9.971 1.00 0.00 O ATOM 406 CG2 THR A 49 1.037 -6.670 11.835 1.00 0.00 C ATOM 0 H THR A 49 4.289 -6.699 10.719 1.00 0.00 H new ATOM 0 HA THR A 49 3.126 -7.982 13.076 1.00 0.00 H new ATOM 0 HB THR A 49 1.277 -8.805 11.730 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.915 -7.887 9.619 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.043 -6.665 11.388 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.946 -6.677 12.921 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.580 -5.778 11.522 1.00 0.00 H new ATOM 407 N ASP A 50 3.825 -10.235 12.476 1.00 0.00 N ATOM 408 CA ASP A 50 4.065 -11.646 12.208 1.00 0.00 C ATOM 409 C ASP A 50 3.352 -12.067 10.926 1.00 0.00 C ATOM 410 O ASP A 50 3.929 -12.721 10.063 1.00 0.00 O ATOM 411 CB ASP A 50 3.518 -12.444 13.391 1.00 0.00 C ATOM 412 CG ASP A 50 3.778 -13.930 13.240 1.00 0.00 C ATOM 413 OD1 ASP A 50 4.942 -14.362 13.352 1.00 0.00 O ATOM 414 OD2 ASP A 50 2.818 -14.704 13.041 1.00 0.00 O ATOM 0 H ASP A 50 3.573 -10.059 13.449 1.00 0.00 H new ATOM 0 HA ASP A 50 5.132 -11.830 12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.977 -12.087 14.313 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.446 -12.270 13.481 1.00 0.00 H new ATOM 415 N ALA A 51 2.086 -11.656 10.813 1.00 0.00 N ATOM 416 CA ALA A 51 1.259 -11.876 9.639 1.00 0.00 C ATOM 417 C ALA A 51 1.952 -11.385 8.366 1.00 0.00 C ATOM 418 O ALA A 51 2.178 -12.186 7.459 1.00 0.00 O ATOM 419 CB ALA A 51 -0.103 -11.207 9.819 1.00 0.00 C ATOM 0 H ALA A 51 1.603 -11.150 11.556 1.00 0.00 H new ATOM 0 HA ALA A 51 1.105 -12.949 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.713 -11.379 8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.603 -11.629 10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.034 -10.135 9.962 1.00 0.00 H new ATOM 420 N ASN A 52 2.285 -10.087 8.276 1.00 0.00 N ATOM 421 CA ASN A 52 2.961 -9.560 7.091 1.00 0.00 C ATOM 422 C ASN A 52 4.226 -10.375 6.803 1.00 0.00 C ATOM 423 O ASN A 52 4.398 -10.863 5.688 1.00 0.00 O ATOM 424 CB ASN A 52 3.230 -8.055 7.258 1.00 0.00 C ATOM 425 CG ASN A 52 3.871 -7.395 6.034 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.599 -8.025 5.273 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.598 -6.112 5.821 1.00 0.00 N ATOM 0 H ASN A 52 2.098 -9.395 9.002 1.00 0.00 H new ATOM 0 HA ASN A 52 2.317 -9.663 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.289 -7.551 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.880 -7.907 8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.996 -5.633 5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.990 -5.606 6.465 1.00 0.00 H new ATOM 428 N ILE A 53 5.071 -10.585 7.817 1.00 0.00 N ATOM 429 CA ILE A 53 6.303 -11.358 7.670 1.00 0.00 C ATOM 430 C ILE A 53 6.020 -12.742 7.061 1.00 0.00 C ATOM 431 O ILE A 53 6.555 -13.086 6.011 1.00 0.00 O ATOM 432 CB ILE A 53 7.035 -11.437 9.025 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.547 -10.037 9.416 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.208 -12.426 8.965 1.00 0.00 C ATOM 435 CD1 ILE A 53 7.951 -9.949 10.890 1.00 0.00 C ATOM 0 H ILE A 53 4.919 -10.224 8.759 1.00 0.00 H new ATOM 0 HA ILE A 53 6.966 -10.851 6.969 1.00 0.00 H new ATOM 0 HB ILE A 53 6.331 -11.794 9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.403 -9.780 8.792 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.771 -9.300 9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.705 -12.460 9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.835 -13.419 8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.918 -12.102 8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.304 -8.942 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.090 -10.178 11.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.748 -10.665 11.092 1.00 0.00 H new ATOM 436 N LYS A 54 5.189 -13.559 7.710 1.00 0.00 N ATOM 437 CA LYS A 54 4.907 -14.915 7.254 1.00 0.00 C ATOM 438 C LYS A 54 4.198 -14.930 5.901 1.00 0.00 C ATOM 439 O LYS A 54 4.301 -15.908 5.164 1.00 0.00 O ATOM 440 CB LYS A 54 4.086 -15.665 8.304 1.00 0.00 C ATOM 441 CG LYS A 54 4.956 -15.984 9.524 1.00 0.00 C ATOM 442 CD LYS A 54 4.106 -16.642 10.611 1.00 0.00 C ATOM 443 CE LYS A 54 4.990 -17.023 11.807 1.00 0.00 C ATOM 444 NZ LYS A 54 4.233 -16.982 13.070 1.00 0.00 N ATOM 0 H LYS A 54 4.695 -13.298 8.564 1.00 0.00 H new ATOM 0 HA LYS A 54 5.862 -15.423 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.230 -15.062 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.692 -16.587 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.772 -16.647 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.409 -15.070 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.319 -15.960 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.615 -17.530 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.396 -18.023 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.838 -16.340 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.863 -16.688 13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.450 -16.303 12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.850 -17.927 13.276 1.00 0.00 H new ATOM 445 N LYS A 55 3.485 -13.855 5.564 1.00 0.00 N ATOM 446 CA LYS A 55 2.874 -13.674 4.259 1.00 0.00 C ATOM 447 C LYS A 55 3.798 -12.829 3.372 1.00 0.00 C ATOM 448 O LYS A 55 3.309 -12.051 2.560 1.00 0.00 O ATOM 449 CB LYS A 55 1.479 -13.063 4.461 1.00 0.00 C ATOM 450 CG LYS A 55 0.529 -13.137 3.252 1.00 0.00 C ATOM 451 CD LYS A 55 0.225 -14.543 2.714 1.00 0.00 C ATOM 452 CE LYS A 55 -0.414 -15.434 3.789 1.00 0.00 C ATOM 453 NZ LYS A 55 -0.842 -16.737 3.243 1.00 0.00 N ATOM 0 H LYS A 55 3.317 -13.078 6.203 1.00 0.00 H new ATOM 0 HA LYS A 55 2.742 -14.623 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.003 -13.565 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.599 -12.016 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.414 -12.664 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.958 -12.546 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.445 -14.468 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.146 -15.004 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.299 -15.596 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.274 -14.922 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.268 -17.308 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.542 -16.584 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.018 -17.238 2.854 1.00 0.00 H new ATOM 454 N ASN A 56 5.120 -12.999 3.522 1.00 0.00 N ATOM 455 CA ASN A 56 6.156 -12.334 2.732 1.00 0.00 C ATOM 456 C ASN A 56 5.792 -12.212 1.242 1.00 0.00 C ATOM 457 O ASN A 56 5.905 -13.170 0.477 1.00 0.00 O ATOM 458 CB ASN A 56 7.539 -12.980 2.949 1.00 0.00 C ATOM 459 CG ASN A 56 7.615 -14.487 2.711 1.00 0.00 C ATOM 460 OD1 ASN A 56 7.698 -15.271 3.650 1.00 0.00 O ATOM 461 ND2 ASN A 56 7.652 -14.910 1.453 1.00 0.00 N ATOM 0 H ASN A 56 5.507 -13.628 4.225 1.00 0.00 H new ATOM 0 HA ASN A 56 6.218 -11.311 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.255 -12.491 2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.857 -12.776 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.751 -15.905 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.581 -14.240 0.687 1.00 0.00 H new ATOM 462 N VAL A 57 5.364 -11.024 0.820 1.00 0.00 N ATOM 463 CA VAL A 57 4.919 -10.716 -0.527 1.00 0.00 C ATOM 464 C VAL A 57 5.892 -9.718 -1.164 1.00 0.00 C ATOM 465 O VAL A 57 6.217 -8.691 -0.585 1.00 0.00 O ATOM 466 CB VAL A 57 3.464 -10.218 -0.438 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.081 -9.241 -1.550 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.512 -11.419 -0.482 1.00 0.00 C ATOM 0 H VAL A 57 5.318 -10.216 1.441 1.00 0.00 H new ATOM 0 HA VAL A 57 4.923 -11.589 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 57 3.379 -9.677 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.043 -8.933 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.728 -8.365 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.199 -9.727 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.482 -11.069 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.654 -11.962 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.722 -12.081 0.358 1.00 0.00 H new ATOM 469 N LEU A 58 6.341 -10.011 -2.385 1.00 0.00 N ATOM 470 CA LEU A 58 7.236 -9.176 -3.189 1.00 0.00 C ATOM 471 C LEU A 58 6.719 -7.732 -3.321 1.00 0.00 C ATOM 472 O LEU A 58 7.505 -6.790 -3.373 1.00 0.00 O ATOM 473 CB LEU A 58 7.376 -9.892 -4.542 1.00 0.00 C ATOM 474 CG LEU A 58 8.246 -9.306 -5.662 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.541 -8.217 -6.474 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.577 -8.815 -5.119 1.00 0.00 C ATOM 0 H LEU A 58 6.080 -10.874 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 58 8.211 -9.064 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.754 -10.893 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.371 -10.008 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 58 8.435 -10.123 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.214 -7.847 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.646 -8.631 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.261 -7.396 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.173 -8.405 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.402 -8.041 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.112 -9.647 -4.661 1.00 0.00 H new ATOM 477 N TRP A 59 5.394 -7.579 -3.399 1.00 0.00 N ATOM 478 CA TRP A 59 4.693 -6.360 -3.780 1.00 0.00 C ATOM 479 C TRP A 59 4.957 -6.035 -5.246 1.00 0.00 C ATOM 480 O TRP A 59 5.715 -5.121 -5.578 1.00 0.00 O ATOM 481 CB TRP A 59 4.923 -5.171 -2.836 1.00 0.00 C ATOM 482 CG TRP A 59 4.343 -5.290 -1.458 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.004 -5.010 -0.313 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.003 -5.717 -1.046 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.172 -5.221 0.764 1.00 0.00 N ATOM 486 CE2 TRP A 59 2.956 -5.729 0.378 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.825 -6.120 -1.716 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.838 -6.166 1.099 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.715 -6.608 -1.005 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.724 -6.643 0.400 1.00 0.00 C ATOM 0 H TRP A 59 4.753 -8.344 -3.186 1.00 0.00 H new ATOM 0 HA TRP A 59 3.627 -6.560 -3.667 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.997 -5.013 -2.742 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.509 -4.278 -3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.028 -4.672 -0.252 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.428 -5.024 1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.777 -6.052 -2.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.836 -6.135 2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.153 -6.959 -1.543 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.126 -7.037 0.938 1.00 0.00 H new ATOM 491 N ASP A 60 4.276 -6.796 -6.107 1.00 0.00 N ATOM 492 CA ASP A 60 3.989 -6.412 -7.474 1.00 0.00 C ATOM 493 C ASP A 60 2.601 -5.756 -7.503 1.00 0.00 C ATOM 494 O ASP A 60 1.884 -5.721 -6.499 1.00 0.00 O ATOM 495 CB ASP A 60 4.057 -7.640 -8.396 1.00 0.00 C ATOM 496 CG ASP A 60 2.683 -8.245 -8.637 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.124 -8.798 -7.667 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.160 -8.036 -9.753 1.00 0.00 O ATOM 0 H ASP A 60 3.905 -7.713 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 60 4.729 -5.699 -7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.500 -7.354 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.712 -8.391 -7.953 1.00 0.00 H new ATOM 499 N GLU A 61 2.224 -5.267 -8.680 1.00 0.00 N ATOM 500 CA GLU A 61 0.954 -4.615 -8.938 1.00 0.00 C ATOM 501 C GLU A 61 -0.217 -5.559 -8.663 1.00 0.00 C ATOM 502 O GLU A 61 -1.174 -5.167 -8.003 1.00 0.00 O ATOM 503 CB GLU A 61 0.958 -4.067 -10.372 1.00 0.00 C ATOM 504 CG GLU A 61 2.273 -3.345 -10.658 1.00 0.00 C ATOM 505 CD GLU A 61 2.169 -2.330 -11.776 1.00 0.00 C ATOM 506 OE1 GLU A 61 1.540 -1.282 -11.540 1.00 0.00 O ATOM 507 OE2 GLU A 61 2.824 -2.559 -12.817 1.00 0.00 O ATOM 0 H GLU A 61 2.819 -5.318 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 61 0.821 -3.775 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.821 -4.883 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.121 -3.382 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.608 -2.842 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.035 -4.081 -10.915 1.00 0.00 H new ATOM 508 N ASN A 62 -0.154 -6.799 -9.146 1.00 0.00 N ATOM 509 CA ASN A 62 -1.223 -7.776 -8.977 1.00 0.00 C ATOM 510 C ASN A 62 -1.467 -8.062 -7.491 1.00 0.00 C ATOM 511 O ASN A 62 -2.576 -7.886 -6.983 1.00 0.00 O ATOM 512 CB ASN A 62 -0.869 -9.052 -9.747 1.00 0.00 C ATOM 513 CG ASN A 62 -2.017 -10.056 -9.789 1.00 0.00 C ATOM 514 OD1 ASN A 62 -3.138 -9.766 -9.386 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.753 -11.247 -10.317 1.00 0.00 N ATOM 0 H ASN A 62 0.647 -7.154 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.151 -7.373 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.585 -8.789 -10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.000 -9.520 -9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.492 -11.946 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.811 -11.462 -10.645 1.00 0.00 H new ATOM 516 N ASN A 63 -0.418 -8.471 -6.776 1.00 0.00 N ATOM 517 CA ASN A 63 -0.513 -8.790 -5.359 1.00 0.00 C ATOM 518 C ASN A 63 -1.005 -7.574 -4.583 1.00 0.00 C ATOM 519 O ASN A 63 -1.929 -7.686 -3.773 1.00 0.00 O ATOM 520 CB ASN A 63 0.840 -9.280 -4.830 1.00 0.00 C ATOM 521 CG ASN A 63 1.192 -10.687 -5.316 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.474 -11.301 -6.100 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.290 -11.244 -4.811 1.00 0.00 N ATOM 0 H ASN A 63 0.517 -8.589 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.235 -9.595 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.620 -8.586 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.824 -9.270 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.546 -12.196 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.875 -10.719 -4.161 1.00 0.00 H new ATOM 524 N MET A 64 -0.415 -6.401 -4.844 1.00 0.00 N ATOM 525 CA MET A 64 -0.862 -5.180 -4.193 1.00 0.00 C ATOM 526 C MET A 64 -2.323 -4.875 -4.540 1.00 0.00 C ATOM 527 O MET A 64 -3.057 -4.376 -3.694 1.00 0.00 O ATOM 528 CB MET A 64 0.085 -4.011 -4.495 1.00 0.00 C ATOM 529 CG MET A 64 -0.133 -2.890 -3.470 1.00 0.00 C ATOM 530 SD MET A 64 0.934 -1.436 -3.603 1.00 0.00 S ATOM 531 CE MET A 64 2.580 -2.153 -3.396 1.00 0.00 C ATOM 0 H MET A 64 0.362 -6.279 -5.494 1.00 0.00 H new ATOM 0 HA MET A 64 -0.826 -5.330 -3.114 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.120 -4.351 -4.462 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.095 -3.636 -5.502 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.168 -2.558 -3.546 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.006 -3.313 -2.473 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.330 -1.365 -3.457 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.645 -2.641 -2.424 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.759 -2.886 -4.183 1.00 0.00 H new ATOM 532 N SER A 65 -2.764 -5.185 -5.760 1.00 0.00 N ATOM 533 CA SER A 65 -4.147 -5.005 -6.177 1.00 0.00 C ATOM 534 C SER A 65 -5.092 -5.856 -5.318 1.00 0.00 C ATOM 535 O SER A 65 -6.075 -5.326 -4.796 1.00 0.00 O ATOM 536 CB SER A 65 -4.280 -5.279 -7.684 1.00 0.00 C ATOM 537 OG SER A 65 -5.499 -4.805 -8.219 1.00 0.00 O ATOM 0 H SER A 65 -2.164 -5.571 -6.489 1.00 0.00 H new ATOM 0 HA SER A 65 -4.447 -3.970 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.450 -4.807 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.202 -6.351 -7.862 1.00 0.00 H new ATOM 0 HG SER A 65 -5.534 -5.002 -9.178 1.00 0.00 H new ATOM 538 N GLU A 66 -4.819 -7.157 -5.149 1.00 0.00 N ATOM 539 CA GLU A 66 -5.657 -8.015 -4.304 1.00 0.00 C ATOM 540 C GLU A 66 -5.619 -7.495 -2.860 1.00 0.00 C ATOM 541 O GLU A 66 -6.651 -7.321 -2.216 1.00 0.00 O ATOM 542 CB GLU A 66 -5.192 -9.478 -4.376 1.00 0.00 C ATOM 543 CG GLU A 66 -6.311 -10.541 -4.289 1.00 0.00 C ATOM 544 CD GLU A 66 -7.364 -10.375 -3.191 1.00 0.00 C ATOM 545 OE1 GLU A 66 -8.363 -9.669 -3.425 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.253 -11.002 -2.110 1.00 0.00 O ATOM 0 H GLU A 66 -4.030 -7.635 -5.584 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.684 -7.982 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.651 -9.623 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.484 -9.655 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.827 -10.564 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.839 -11.515 -4.157 1.00 0.00 H new ATOM 547 N TYR A 67 -4.417 -7.195 -2.359 1.00 0.00 N ATOM 548 CA TYR A 67 -4.263 -6.587 -1.045 1.00 0.00 C ATOM 549 C TYR A 67 -5.191 -5.377 -0.891 1.00 0.00 C ATOM 550 O TYR A 67 -6.055 -5.376 -0.023 1.00 0.00 O ATOM 551 CB TYR A 67 -2.796 -6.235 -0.791 1.00 0.00 C ATOM 552 CG TYR A 67 -2.536 -5.618 0.567 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.631 -6.416 1.717 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.276 -4.244 0.698 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.507 -5.849 2.993 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.190 -3.671 1.977 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.301 -4.472 3.127 1.00 0.00 C ATOM 558 OH TYR A 67 -2.483 -3.917 4.354 1.00 0.00 O ATOM 0 H TYR A 67 -3.539 -7.366 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.560 -7.308 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.194 -7.138 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.460 -5.543 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.801 -7.478 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.143 -3.631 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.570 -6.474 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.037 -2.607 2.078 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.306 -2.954 4.307 1.00 0.00 H new ATOM 559 N LEU A 68 -5.074 -4.375 -1.760 1.00 0.00 N ATOM 560 CA LEU A 68 -5.968 -3.223 -1.770 1.00 0.00 C ATOM 561 C LEU A 68 -7.436 -3.637 -1.865 1.00 0.00 C ATOM 562 O LEU A 68 -8.280 -3.022 -1.217 1.00 0.00 O ATOM 563 CB LEU A 68 -5.586 -2.259 -2.897 1.00 0.00 C ATOM 564 CG LEU A 68 -4.777 -1.048 -2.408 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.586 -1.416 -1.519 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.251 -0.293 -3.630 1.00 0.00 C ATOM 0 H LEU A 68 -4.352 -4.341 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.850 -2.704 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.005 -2.797 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.493 -1.907 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.450 -0.443 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.065 -0.508 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.942 -1.944 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.902 -2.058 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.673 0.571 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.614 -0.953 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.090 0.041 -4.240 1.00 0.00 H new ATOM 567 N THR A 69 -7.759 -4.665 -2.653 1.00 0.00 N ATOM 568 CA THR A 69 -9.113 -5.200 -2.723 1.00 0.00 C ATOM 569 C THR A 69 -9.606 -5.670 -1.348 1.00 0.00 C ATOM 570 O THR A 69 -10.808 -5.596 -1.087 1.00 0.00 O ATOM 571 CB THR A 69 -9.210 -6.298 -3.797 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.789 -5.760 -5.030 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.632 -6.830 -3.984 1.00 0.00 C ATOM 0 H THR A 69 -7.091 -5.145 -3.256 1.00 0.00 H new ATOM 0 HA THR A 69 -9.784 -4.396 -3.026 1.00 0.00 H new ATOM 0 HB THR A 69 -8.582 -7.125 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.818 -5.630 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.634 -7.601 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.988 -7.254 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.289 -6.014 -4.286 1.00 0.00 H new ATOM 574 N ASN A 70 -8.727 -6.162 -0.467 1.00 0.00 N ATOM 575 CA ASN A 70 -9.086 -6.612 0.877 1.00 0.00 C ATOM 576 C ASN A 70 -7.842 -6.895 1.737 1.00 0.00 C ATOM 577 O ASN A 70 -7.383 -8.038 1.812 1.00 0.00 O ATOM 578 CB ASN A 70 -10.006 -7.839 0.807 1.00 0.00 C ATOM 579 CG ASN A 70 -9.645 -8.845 -0.282 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.526 -9.313 -1.003 1.00 0.00 O ATOM 581 ND2 ASN A 70 -8.381 -9.225 -0.402 1.00 0.00 N ATOM 0 H ASN A 70 -7.733 -6.259 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.631 -5.803 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.987 -8.346 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.029 -7.500 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.121 -9.919 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.668 -8.823 0.207 1.00 0.00 H new ATOM 582 N PRO A 71 -7.293 -5.888 2.431 1.00 0.00 N ATOM 583 CA PRO A 71 -5.970 -6.017 3.016 1.00 0.00 C ATOM 584 C PRO A 71 -5.943 -7.109 4.079 1.00 0.00 C ATOM 585 O PRO A 71 -5.114 -8.012 4.033 1.00 0.00 O ATOM 586 CB PRO A 71 -5.605 -4.628 3.547 1.00 0.00 C ATOM 587 CG PRO A 71 -6.913 -3.837 3.565 1.00 0.00 C ATOM 588 CD PRO A 71 -7.804 -4.533 2.537 1.00 0.00 C ATOM 0 HA PRO A 71 -5.225 -6.335 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.172 -4.692 4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.865 -4.146 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.368 -3.848 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.747 -2.792 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.846 -4.531 2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.764 -4.023 1.575 1.00 0.00 H new ATOM 601 N LYS A 73 -7.802 -9.618 4.472 1.00 0.00 N ATOM 602 CA LYS A 73 -8.001 -10.954 3.941 1.00 0.00 C ATOM 603 C LYS A 73 -6.644 -11.455 3.467 1.00 0.00 C ATOM 604 O LYS A 73 -6.207 -12.551 3.811 1.00 0.00 O ATOM 605 CB LYS A 73 -8.979 -10.858 2.767 1.00 0.00 C ATOM 606 CG LYS A 73 -9.260 -12.194 2.076 1.00 0.00 C ATOM 607 CD LYS A 73 -10.456 -12.045 1.123 1.00 0.00 C ATOM 608 CE LYS A 73 -10.236 -12.710 -0.247 1.00 0.00 C ATOM 609 NZ LYS A 73 -9.523 -11.867 -1.243 1.00 0.00 N ATOM 0 HA LYS A 73 -8.408 -11.638 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.920 -10.442 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.580 -10.158 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.380 -12.519 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.470 -12.962 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.340 -12.479 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.662 -10.985 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.672 -13.631 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.205 -12.992 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.509 -12.353 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.013 -10.955 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.547 -11.703 -0.923 1.00 0.00 H new ATOM 610 N TYR A 74 -6.003 -10.634 2.637 1.00 0.00 N ATOM 611 CA TYR A 74 -4.786 -10.999 1.942 1.00 0.00 C ATOM 612 C TYR A 74 -3.624 -11.187 2.927 1.00 0.00 C ATOM 613 O TYR A 74 -2.841 -12.125 2.782 1.00 0.00 O ATOM 614 CB TYR A 74 -4.515 -9.932 0.883 1.00 0.00 C ATOM 615 CG TYR A 74 -3.466 -10.313 -0.138 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.832 -11.091 -1.251 1.00 0.00 C ATOM 617 CD2 TYR A 74 -2.131 -9.898 0.016 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.866 -11.456 -2.204 1.00 0.00 C ATOM 619 CE2 TYR A 74 -1.177 -10.224 -0.961 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.538 -11.026 -2.056 1.00 0.00 C ATOM 621 OH TYR A 74 -0.589 -11.466 -2.928 1.00 0.00 O ATOM 0 H TYR A 74 -6.324 -9.688 2.431 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.896 -11.962 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.447 -9.710 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.202 -9.015 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.857 -11.408 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.840 -9.328 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.145 -12.067 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.165 -9.858 -0.871 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.001 -11.640 -3.800 1.00 0.00 H new ATOM 622 N ILE A 75 -3.531 -10.319 3.944 1.00 0.00 N ATOM 623 CA ILE A 75 -2.602 -10.465 5.066 1.00 0.00 C ATOM 624 C ILE A 75 -3.441 -10.806 6.306 1.00 0.00 C ATOM 625 O ILE A 75 -4.001 -9.901 6.927 1.00 0.00 O ATOM 626 CB ILE A 75 -1.755 -9.189 5.277 1.00 0.00 C ATOM 627 CG1 ILE A 75 -1.039 -8.701 4.003 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.729 -9.390 6.406 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.003 -9.647 3.407 1.00 0.00 C ATOM 0 H ILE A 75 -4.111 -9.482 4.008 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.885 -11.261 4.865 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.465 -8.411 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.793 -8.500 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.551 -7.752 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.146 -8.478 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.251 -9.621 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.063 -10.214 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.437 -9.195 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.789 -9.831 4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.473 -10.591 3.140 1.00 0.00 H new ATOM 630 N PRO A 76 -3.577 -12.089 6.682 1.00 0.00 N ATOM 631 CA PRO A 76 -4.519 -12.516 7.708 1.00 0.00 C ATOM 632 C PRO A 76 -3.981 -12.237 9.118 1.00 0.00 C ATOM 633 O PRO A 76 -3.697 -13.158 9.880 1.00 0.00 O ATOM 634 CB PRO A 76 -4.743 -14.007 7.433 1.00 0.00 C ATOM 635 CG PRO A 76 -3.392 -14.453 6.878 1.00 0.00 C ATOM 636 CD PRO A 76 -2.962 -13.244 6.046 1.00 0.00 C ATOM 0 HA PRO A 76 -5.459 -11.966 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.008 -14.551 8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.549 -14.170 6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.679 -14.673 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.480 -15.354 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.876 -13.148 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.292 -13.343 5.012 1.00 0.00 H new ATOM 637 N GLY A 77 -3.864 -10.955 9.476 1.00 0.00 N ATOM 638 CA GLY A 77 -3.499 -10.509 10.818 1.00 0.00 C ATOM 639 C GLY A 77 -2.761 -9.175 10.765 1.00 0.00 C ATOM 640 O GLY A 77 -1.726 -9.002 11.403 1.00 0.00 O ATOM 0 H GLY A 77 -4.024 -10.185 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.396 -10.409 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.869 -11.259 11.296 1.00 0.00 H new ATOM 641 N THR A 78 -3.304 -8.235 9.990 1.00 0.00 N ATOM 642 CA THR A 78 -2.742 -6.908 9.791 1.00 0.00 C ATOM 643 C THR A 78 -3.472 -5.902 10.677 1.00 0.00 C ATOM 644 O THR A 78 -4.658 -6.060 10.974 1.00 0.00 O ATOM 645 CB THR A 78 -2.805 -6.517 8.304 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.420 -5.179 8.125 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.202 -6.635 7.711 1.00 0.00 C ATOM 0 H THR A 78 -4.170 -8.384 9.472 1.00 0.00 H new ATOM 0 HA THR A 78 -1.691 -6.909 10.080 1.00 0.00 H new ATOM 0 HB THR A 78 -2.132 -7.212 7.802 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.157 -5.036 7.192 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.177 -6.345 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.547 -7.666 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.884 -5.979 8.252 1.00 0.00 H new ATOM 648 N LYS A 79 -2.759 -4.842 11.061 1.00 0.00 N ATOM 649 CA LYS A 79 -3.335 -3.653 11.669 1.00 0.00 C ATOM 650 C LYS A 79 -4.156 -2.869 10.634 1.00 0.00 C ATOM 651 O LYS A 79 -4.980 -2.036 11.011 1.00 0.00 O ATOM 652 CB LYS A 79 -2.186 -2.818 12.258 1.00 0.00 C ATOM 653 CG LYS A 79 -2.640 -1.498 12.900 1.00 0.00 C ATOM 654 CD LYS A 79 -1.451 -0.830 13.605 1.00 0.00 C ATOM 655 CE LYS A 79 -1.698 0.655 13.907 1.00 0.00 C ATOM 656 NZ LYS A 79 -2.920 0.881 14.708 1.00 0.00 N ATOM 0 H LYS A 79 -1.746 -4.790 10.954 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.024 -3.920 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.664 -3.414 13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.468 -2.598 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.044 -0.832 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.440 -1.687 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.244 -1.356 14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.563 -0.927 12.981 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.839 1.060 14.441 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.778 1.204 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.984 1.886 14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.756 0.615 14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.882 0.302 15.571 1.00 0.00 H new ATOM 657 N ALA A 80 -3.906 -3.085 9.339 1.00 0.00 N ATOM 658 CA ALA A 80 -4.553 -2.347 8.270 1.00 0.00 C ATOM 659 C ALA A 80 -6.064 -2.587 8.267 1.00 0.00 C ATOM 660 O ALA A 80 -6.524 -3.706 8.503 1.00 0.00 O ATOM 661 CB ALA A 80 -3.935 -2.750 6.934 1.00 0.00 C ATOM 0 H ALA A 80 -3.242 -3.785 9.009 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.396 -1.281 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.418 -2.198 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.869 -2.521 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.075 -3.819 6.776 1.00 0.00 H new ATOM 662 N ALA A 81 -6.840 -1.533 8.005 1.00 0.00 N ATOM 663 CA ALA A 81 -8.293 -1.571 8.055 1.00 0.00 C ATOM 664 C ALA A 81 -8.852 -0.348 7.332 1.00 0.00 C ATOM 665 O ALA A 81 -8.835 0.748 7.886 1.00 0.00 O ATOM 666 CB ALA A 81 -8.751 -1.583 9.518 1.00 0.00 C ATOM 0 H ALA A 81 -6.466 -0.619 7.749 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.661 -2.472 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.840 -1.611 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.346 -2.463 10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.393 -0.684 10.019 1.00 0.00 H new ATOM 667 N PHE A 82 -9.352 -0.517 6.107 1.00 0.00 N ATOM 668 CA PHE A 82 -10.048 0.546 5.399 1.00 0.00 C ATOM 669 C PHE A 82 -10.986 -0.086 4.368 1.00 0.00 C ATOM 670 O PHE A 82 -10.968 -1.304 4.179 1.00 0.00 O ATOM 671 CB PHE A 82 -9.048 1.550 4.792 1.00 0.00 C ATOM 672 CG PHE A 82 -8.556 1.218 3.396 1.00 0.00 C ATOM 673 CD1 PHE A 82 -7.508 0.298 3.199 1.00 0.00 C ATOM 674 CD2 PHE A 82 -9.200 1.787 2.281 1.00 0.00 C ATOM 675 CE1 PHE A 82 -7.169 -0.112 1.896 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.883 1.352 0.987 1.00 0.00 C ATOM 677 CZ PHE A 82 -7.896 0.375 0.794 1.00 0.00 C ATOM 0 H PHE A 82 -9.284 -1.391 5.585 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.658 1.130 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.516 2.534 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.186 1.623 5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.965 -0.092 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.940 2.561 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.351 -0.800 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.400 1.770 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.694 -0.003 -0.198 1.00 0.00 H new ATOM 678 N GLY A 83 -11.816 0.736 3.720 1.00 0.00 N ATOM 679 CA GLY A 83 -12.739 0.301 2.684 1.00 0.00 C ATOM 680 C GLY A 83 -11.992 -0.185 1.441 1.00 0.00 C ATOM 681 O GLY A 83 -11.862 0.564 0.473 1.00 0.00 O ATOM 0 H GLY A 83 -11.861 1.737 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.369 -0.501 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.400 1.124 2.414 1.00 0.00 H new ATOM 682 N GLY A 84 -11.514 -1.433 1.491 1.00 0.00 N ATOM 683 CA GLY A 84 -10.800 -2.127 0.425 1.00 0.00 C ATOM 684 C GLY A 84 -11.298 -1.759 -0.976 1.00 0.00 C ATOM 685 O GLY A 84 -12.502 -1.773 -1.242 1.00 0.00 O ATOM 0 H GLY A 84 -11.623 -2.013 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.737 -1.895 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.902 -3.203 0.569 1.00 0.00 H new ATOM 686 N LEU A 85 -10.372 -1.439 -1.883 1.00 0.00 N ATOM 687 CA LEU A 85 -10.650 -0.891 -3.204 1.00 0.00 C ATOM 688 C LEU A 85 -11.177 -1.954 -4.170 1.00 0.00 C ATOM 689 O LEU A 85 -10.562 -2.219 -5.206 1.00 0.00 O ATOM 690 CB LEU A 85 -9.395 -0.206 -3.769 1.00 0.00 C ATOM 691 CG LEU A 85 -8.880 1.009 -2.986 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.844 1.769 -3.820 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.985 1.977 -2.560 1.00 0.00 C ATOM 0 H LEU A 85 -9.375 -1.560 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.439 -0.147 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.595 -0.945 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.606 0.109 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.432 0.613 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.484 2.630 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.007 1.110 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.303 2.109 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.547 2.811 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.499 2.354 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.698 1.457 -1.920 1.00 0.00 H new ATOM 694 N LYS A 86 -12.362 -2.504 -3.880 1.00 0.00 N ATOM 695 CA LYS A 86 -13.109 -3.341 -4.804 1.00 0.00 C ATOM 696 C LYS A 86 -13.183 -2.633 -6.157 1.00 0.00 C ATOM 697 O LYS A 86 -12.690 -3.174 -7.142 1.00 0.00 O ATOM 698 CB LYS A 86 -14.508 -3.642 -4.243 1.00 0.00 C ATOM 699 CG LYS A 86 -14.549 -4.849 -3.291 1.00 0.00 C ATOM 700 CD LYS A 86 -13.912 -4.559 -1.923 1.00 0.00 C ATOM 701 CE LYS A 86 -14.046 -5.747 -0.959 1.00 0.00 C ATOM 702 NZ LYS A 86 -13.158 -6.869 -1.327 1.00 0.00 N ATOM 0 H LYS A 86 -12.829 -2.374 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.604 -4.298 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.874 -2.762 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.191 -3.823 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.585 -5.154 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.032 -5.688 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.857 -4.320 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.384 -3.681 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.813 -5.419 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.080 -6.092 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.307 -7.660 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.374 -7.179 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.167 -6.558 -1.276 1.00 0.00 H new ATOM 703 N LYS A 87 -13.723 -1.407 -6.155 1.00 0.00 N ATOM 704 CA LYS A 87 -13.874 -0.463 -7.243 1.00 0.00 C ATOM 705 C LYS A 87 -13.125 -0.779 -8.543 1.00 0.00 C ATOM 706 O LYS A 87 -13.750 -0.814 -9.599 1.00 0.00 O ATOM 707 CB LYS A 87 -13.617 0.974 -6.745 1.00 0.00 C ATOM 708 CG LYS A 87 -13.099 1.230 -5.310 1.00 0.00 C ATOM 709 CD LYS A 87 -13.422 2.661 -4.840 1.00 0.00 C ATOM 710 CE LYS A 87 -12.775 3.730 -5.725 1.00 0.00 C ATOM 711 NZ LYS A 87 -13.214 5.101 -5.400 1.00 0.00 N ATOM 0 H LYS A 87 -14.103 -1.022 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.914 -0.564 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.901 1.428 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.553 1.523 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.549 0.511 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.021 1.070 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.503 2.803 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.080 2.788 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.691 3.669 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.009 3.519 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.043 5.723 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.229 5.096 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.679 5.451 -4.580 1.00 0.00 H new ATOM 712 N GLU A 88 -11.792 -0.907 -8.496 1.00 0.00 N ATOM 713 CA GLU A 88 -10.904 -1.282 -9.600 1.00 0.00 C ATOM 714 C GLU A 88 -10.617 -0.077 -10.501 1.00 0.00 C ATOM 715 O GLU A 88 -9.468 0.201 -10.848 1.00 0.00 O ATOM 716 CB GLU A 88 -11.425 -2.526 -10.349 1.00 0.00 C ATOM 717 CG GLU A 88 -10.435 -3.076 -11.392 1.00 0.00 C ATOM 718 CD GLU A 88 -10.652 -2.550 -12.809 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.517 -1.669 -13.003 1.00 0.00 O ATOM 720 OE2 GLU A 88 -9.974 -3.072 -13.718 1.00 0.00 O ATOM 0 H GLU A 88 -11.275 -0.741 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.939 -1.583 -9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.649 -3.309 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.362 -2.275 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.421 -2.829 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.508 -4.163 -11.406 1.00 0.00 H new ATOM 721 N LYS A 89 -11.675 0.670 -10.806 1.00 0.00 N ATOM 722 CA LYS A 89 -11.705 1.775 -11.758 1.00 0.00 C ATOM 723 C LYS A 89 -10.788 2.916 -11.337 1.00 0.00 C ATOM 724 O LYS A 89 -10.163 3.559 -12.176 1.00 0.00 O ATOM 725 CB LYS A 89 -13.135 2.274 -11.943 1.00 0.00 C ATOM 726 CG LYS A 89 -13.896 1.524 -13.047 1.00 0.00 C ATOM 727 CD LYS A 89 -14.297 0.107 -12.611 1.00 0.00 C ATOM 728 CE LYS A 89 -14.721 -0.786 -13.782 1.00 0.00 C ATOM 729 NZ LYS A 89 -13.551 -1.187 -14.593 1.00 0.00 N ATOM 0 H LYS A 89 -12.584 0.511 -10.371 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.334 1.399 -12.711 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.675 2.169 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.115 3.337 -12.182 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.790 2.086 -13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.274 1.466 -13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.458 -0.358 -12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.117 0.172 -11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.227 -1.674 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.437 -0.255 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.667 -2.172 -14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.475 -0.566 -15.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.687 -1.106 -14.020 1.00 0.00 H new ATOM 730 N ASP A 90 -10.737 3.165 -10.035 1.00 0.00 N ATOM 731 CA ASP A 90 -9.792 4.093 -9.429 1.00 0.00 C ATOM 732 C ASP A 90 -8.486 3.390 -9.060 1.00 0.00 C ATOM 733 O ASP A 90 -7.402 3.954 -9.192 1.00 0.00 O ATOM 734 CB ASP A 90 -10.445 4.663 -8.177 1.00 0.00 C ATOM 735 CG ASP A 90 -11.386 5.828 -8.462 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.358 6.356 -9.598 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.138 6.158 -7.519 1.00 0.00 O ATOM 0 H ASP A 90 -11.360 2.721 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.548 4.884 -10.138 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.000 3.872 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.667 4.994 -7.489 1.00 0.00 H new ATOM 738 N ARG A 91 -8.605 2.164 -8.546 1.00 0.00 N ATOM 739 CA ARG A 91 -7.474 1.336 -8.144 1.00 0.00 C ATOM 740 C ARG A 91 -6.388 1.338 -9.219 1.00 0.00 C ATOM 741 O ARG A 91 -5.237 1.575 -8.894 1.00 0.00 O ATOM 742 CB ARG A 91 -7.928 -0.091 -7.825 1.00 0.00 C ATOM 743 CG ARG A 91 -7.008 -0.833 -6.852 1.00 0.00 C ATOM 744 CD ARG A 91 -7.147 -2.354 -7.010 1.00 0.00 C ATOM 745 NE ARG A 91 -8.538 -2.830 -6.886 1.00 0.00 N ATOM 746 CZ ARG A 91 -8.981 -4.018 -7.331 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.122 -4.925 -7.802 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.285 -4.308 -7.317 1.00 0.00 N ATOM 0 H ARG A 91 -9.508 1.714 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.048 1.763 -7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.933 -0.056 -7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.991 -0.658 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.973 -0.539 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.250 -0.547 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.755 -2.648 -7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.533 -2.848 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.211 -2.214 -6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.124 -4.718 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.464 -5.825 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.956 -3.624 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.610 -5.213 -7.657 1.00 0.00 H new ATOM 749 N ASN A 92 -6.723 1.088 -10.489 1.00 0.00 N ATOM 750 CA ASN A 92 -5.708 1.088 -11.546 1.00 0.00 C ATOM 751 C ASN A 92 -4.911 2.402 -11.596 1.00 0.00 C ATOM 752 O ASN A 92 -3.681 2.369 -11.668 1.00 0.00 O ATOM 753 CB ASN A 92 -6.285 0.709 -12.916 1.00 0.00 C ATOM 754 CG ASN A 92 -7.292 1.711 -13.456 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.962 2.585 -14.244 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.542 1.598 -13.037 1.00 0.00 N ATOM 0 H ASN A 92 -7.671 0.887 -10.806 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.998 0.304 -11.282 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.467 0.610 -13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.763 -0.268 -12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.253 2.248 -13.372 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.795 0.861 -12.379 1.00 0.00 H new ATOM 757 N ASP A 93 -5.591 3.552 -11.518 1.00 0.00 N ATOM 758 CA ASP A 93 -4.921 4.852 -11.463 1.00 0.00 C ATOM 759 C ASP A 93 -4.003 4.928 -10.248 1.00 0.00 C ATOM 760 O ASP A 93 -2.802 5.167 -10.360 1.00 0.00 O ATOM 761 CB ASP A 93 -5.933 5.995 -11.425 1.00 0.00 C ATOM 762 CG ASP A 93 -6.716 6.157 -12.713 1.00 0.00 C ATOM 763 OD1 ASP A 93 -6.077 6.437 -13.750 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.960 6.056 -12.621 1.00 0.00 O ATOM 0 H ASP A 93 -6.609 3.606 -11.492 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.323 4.956 -12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.630 5.824 -10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.409 6.926 -11.209 1.00 0.00 H new ATOM 765 N LEU A 94 -4.587 4.724 -9.069 1.00 0.00 N ATOM 766 CA LEU A 94 -3.863 4.736 -7.804 1.00 0.00 C ATOM 767 C LEU A 94 -2.609 3.858 -7.883 1.00 0.00 C ATOM 768 O LEU A 94 -1.508 4.324 -7.596 1.00 0.00 O ATOM 769 CB LEU A 94 -4.831 4.330 -6.687 1.00 0.00 C ATOM 770 CG LEU A 94 -4.199 4.099 -5.307 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.190 5.167 -4.870 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.298 4.104 -4.259 1.00 0.00 C ATOM 0 H LEU A 94 -5.586 4.544 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.496 5.737 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.592 5.104 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.342 3.416 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.667 3.151 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.799 4.916 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.369 5.207 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.683 6.138 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.862 3.941 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.811 5.066 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.011 3.309 -4.476 1.00 0.00 H new ATOM 773 N ILE A 95 -2.750 2.601 -8.304 1.00 0.00 N ATOM 774 CA ILE A 95 -1.629 1.698 -8.462 1.00 0.00 C ATOM 775 C ILE A 95 -0.590 2.307 -9.413 1.00 0.00 C ATOM 776 O ILE A 95 0.580 2.326 -9.050 1.00 0.00 O ATOM 777 CB ILE A 95 -2.111 0.293 -8.866 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.019 -0.319 -7.770 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.879 -0.604 -9.085 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.761 -1.555 -8.273 1.00 0.00 C ATOM 0 H ILE A 95 -3.651 2.187 -8.544 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.122 1.565 -7.506 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.695 0.365 -9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.414 -0.586 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.740 0.427 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.204 -1.604 -9.372 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.258 -0.183 -9.876 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.302 -0.661 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.387 -1.954 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.387 -1.283 -9.123 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.040 -2.312 -8.581 1.00 0.00 H new ATOM 781 N THR A 96 -0.967 2.845 -10.582 1.00 0.00 N ATOM 782 CA THR A 96 0.012 3.520 -11.439 1.00 0.00 C ATOM 783 C THR A 96 0.734 4.654 -10.696 1.00 0.00 C ATOM 784 O THR A 96 1.957 4.791 -10.787 1.00 0.00 O ATOM 785 CB THR A 96 -0.630 4.066 -12.722 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.221 3.020 -13.457 1.00 0.00 O ATOM 787 CG2 THR A 96 0.434 4.729 -13.612 1.00 0.00 C ATOM 0 H THR A 96 -1.919 2.827 -10.947 1.00 0.00 H new ATOM 0 HA THR A 96 0.747 2.764 -11.716 1.00 0.00 H new ATOM 0 HB THR A 96 -1.386 4.796 -12.432 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.763 2.926 -14.318 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.036 5.111 -14.518 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.900 5.552 -13.070 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.193 3.994 -13.880 1.00 0.00 H new ATOM 788 N TYR A 97 -0.009 5.504 -9.985 1.00 0.00 N ATOM 789 CA TYR A 97 0.607 6.581 -9.224 1.00 0.00 C ATOM 790 C TYR A 97 1.641 6.010 -8.256 1.00 0.00 C ATOM 791 O TYR A 97 2.785 6.452 -8.249 1.00 0.00 O ATOM 792 CB TYR A 97 -0.454 7.415 -8.504 1.00 0.00 C ATOM 793 CG TYR A 97 0.128 8.437 -7.551 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.833 9.544 -8.058 1.00 0.00 C ATOM 795 CD2 TYR A 97 0.061 8.228 -6.161 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.438 10.458 -7.178 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.643 9.157 -5.282 1.00 0.00 C ATOM 798 CZ TYR A 97 1.332 10.270 -5.790 1.00 0.00 C ATOM 799 OH TYR A 97 1.857 11.191 -4.935 1.00 0.00 O ATOM 0 H TYR A 97 -1.026 5.465 -9.923 1.00 0.00 H new ATOM 0 HA TYR A 97 1.125 7.251 -9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.067 7.928 -9.245 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.115 6.748 -7.950 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.909 9.692 -9.125 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.438 7.354 -5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.984 11.304 -7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.560 9.015 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 97 1.184 11.439 -4.268 1.00 0.00 H new ATOM 800 N LEU A 98 1.243 5.016 -7.462 1.00 0.00 N ATOM 801 CA LEU A 98 2.115 4.353 -6.501 1.00 0.00 C ATOM 802 C LEU A 98 3.355 3.773 -7.189 1.00 0.00 C ATOM 803 O LEU A 98 4.482 3.978 -6.731 1.00 0.00 O ATOM 804 CB LEU A 98 1.321 3.256 -5.773 1.00 0.00 C ATOM 805 CG LEU A 98 1.420 3.362 -4.251 1.00 0.00 C ATOM 806 CD1 LEU A 98 0.406 4.409 -3.830 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.064 2.038 -3.568 1.00 0.00 C ATOM 0 H LEU A 98 0.293 4.646 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 98 2.466 5.084 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.274 3.315 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.687 2.279 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 98 2.440 3.619 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.433 4.527 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.647 5.360 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.591 4.093 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.146 2.153 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.043 1.758 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.750 1.260 -3.903 1.00 0.00 H new ATOM 808 N LYS A 99 3.132 3.053 -8.292 1.00 0.00 N ATOM 809 CA LYS A 99 4.158 2.463 -9.128 1.00 0.00 C ATOM 810 C LYS A 99 5.245 3.488 -9.401 1.00 0.00 C ATOM 811 O LYS A 99 6.410 3.232 -9.103 1.00 0.00 O ATOM 812 CB LYS A 99 3.547 1.936 -10.427 1.00 0.00 C ATOM 813 CG LYS A 99 4.634 1.323 -11.309 1.00 0.00 C ATOM 814 CD LYS A 99 3.993 0.856 -12.615 1.00 0.00 C ATOM 815 CE LYS A 99 4.956 0.042 -13.487 1.00 0.00 C ATOM 816 NZ LYS A 99 5.142 -1.326 -12.966 1.00 0.00 N ATOM 0 H LYS A 99 2.190 2.863 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 99 4.608 1.617 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.786 1.189 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.050 2.747 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.415 2.056 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.108 0.484 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.115 0.251 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.646 1.724 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.572 -0.006 -14.506 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.920 0.548 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.993 -1.746 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.251 -1.292 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.313 -1.905 -13.207 1.00 0.00 H new ATOM 817 N LYS A 100 4.874 4.638 -9.973 1.00 0.00 N ATOM 818 CA LYS A 100 5.852 5.670 -10.248 1.00 0.00 C ATOM 819 C LYS A 100 6.418 6.116 -8.909 1.00 0.00 C ATOM 820 O LYS A 100 7.609 5.986 -8.669 1.00 0.00 O ATOM 821 CB LYS A 100 5.213 6.824 -11.049 1.00 0.00 C ATOM 822 CG LYS A 100 6.146 7.421 -12.119 1.00 0.00 C ATOM 823 CD LYS A 100 7.083 8.579 -11.700 1.00 0.00 C ATOM 824 CE LYS A 100 7.963 8.242 -10.488 1.00 0.00 C ATOM 825 NZ LYS A 100 9.171 9.071 -10.324 1.00 0.00 N ATOM 0 H LYS A 100 3.918 4.866 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 100 6.664 5.298 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.305 6.461 -11.531 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.914 7.613 -10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.766 6.614 -12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.526 7.774 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.723 8.842 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.481 9.458 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.357 8.333 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.268 7.198 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.571 8.917 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.874 8.807 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.921 10.074 -10.436 1.00 0.00 H new ATOM 826 N ALA A 101 5.552 6.646 -8.052 1.00 0.00 N ATOM 827 CA ALA A 101 5.902 7.422 -6.873 1.00 0.00 C ATOM 828 C ALA A 101 6.797 6.674 -5.881 1.00 0.00 C ATOM 829 O ALA A 101 7.416 7.301 -5.025 1.00 0.00 O ATOM 830 CB ALA A 101 4.610 7.901 -6.217 1.00 0.00 C ATOM 0 H ALA A 101 4.544 6.541 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 101 6.505 8.272 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.848 8.486 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.052 8.519 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.005 7.040 -5.933 1.00 0.00 H new ATOM 831 N SER A 102 6.873 5.344 -5.981 1.00 0.00 N ATOM 832 CA SER A 102 7.877 4.578 -5.257 1.00 0.00 C ATOM 833 C SER A 102 9.309 5.069 -5.528 1.00 0.00 C ATOM 834 O SER A 102 10.146 4.973 -4.628 1.00 0.00 O ATOM 835 CB SER A 102 7.700 3.087 -5.546 1.00 0.00 C ATOM 836 OG SER A 102 7.950 2.736 -6.895 1.00 0.00 O ATOM 0 H SER A 102 6.249 4.780 -6.558 1.00 0.00 H new ATOM 0 HA SER A 102 7.722 4.738 -4.190 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.371 2.519 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.683 2.793 -5.286 1.00 0.00 H new ATOM 0 HG SER A 102 7.212 3.051 -7.457 1.00 0.00 H new ATOM 837 N GLU A 103 9.563 5.564 -6.745 1.00 0.00 N ATOM 838 CA GLU A 103 10.731 6.295 -7.205 1.00 0.00 C ATOM 839 C GLU A 103 10.421 7.796 -7.100 1.00 0.00 C ATOM 840 O GLU A 103 11.049 8.456 -6.245 1.00 0.00 O ATOM 841 CB GLU A 103 11.007 5.827 -8.648 1.00 0.00 C ATOM 842 CG GLU A 103 12.176 6.488 -9.394 1.00 0.00 C ATOM 843 CD GLU A 103 11.722 7.657 -10.259 1.00 0.00 C ATOM 844 OE1 GLU A 103 10.963 7.414 -11.226 1.00 0.00 O ATOM 845 OE2 GLU A 103 12.019 8.821 -9.927 1.00 0.00 O ATOM 846 OXT GLU A 103 9.538 8.260 -7.862 1.00 0.00 O ATOM 0 H GLU A 103 8.886 5.447 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 103 11.625 6.111 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.187 4.752 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.101 5.986 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.914 6.838 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.671 5.746 -10.021 1.00 0.00 H new