USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1106 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 110 THR OG1 : rot -150:sc= -0.163 USER MOD Set 1.2: A 112 GLN : amide:sc= -6.12! C(o=-6.3!,f=-5.9!) USER MOD Set 2.1: A 84 CYS SG : rot 180:sc= 0.0986 USER MOD Set 2.2: A 136 SER OG : rot 164:sc= -0.439 USER MOD Set 2.3: A 139 SER OG : rot 60:sc= 0.538 USER MOD Set 3.1: A 59 HIS : no HD1:sc= -0.0524 K(o=-0.31,f=-1.3) USER MOD Set 3.2: A 67 SER OG : rot -67:sc= -0.257 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.378 USER MOD Single : A 6 SER OG : rot 81:sc= 0.501 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.899 K(o=-0.9,f=-4.8!) USER MOD Single : A 15 GLN : amide:sc= -0.836 K(o=-0.84,f=-5.4!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -2.59! C(o=-3.6!,f=-2.6!) USER MOD Single : A 17 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.68) USER MOD Single : A 21 SER OG : rot 84:sc= 0.312 USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= -0.461 (180deg=-1.5!) USER MOD Single : A 29 ASN : amide:sc= -3.27! X(o=-3.3!,f=-3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.053) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.594 F(o=-2.9!,f=-0.59) USER MOD Single : A 61 ASN : amide:sc= -2.39! X(o=-2.4!,f=-2.2) USER MOD Single : A 65 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= -0.497! (180deg=-0.665!) USER MOD Single : A 71 SER OG : rot 19:sc= 0.144 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 76 GLN : amide:sc= -1.73! C(o=-1.7!,f=-2.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -7.3! C(o=-7.3!,f=-11!) USER MOD Single : A 83 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.015) USER MOD Single : A 85 MET CE :methyl -120:sc= -3.77! (180deg=-5.52!) USER MOD Single : A 86 GLN : amide:sc= -5.53! C(o=-5.5!,f=-5.4!) USER MOD Single : A 88 MET CE :methyl -115:sc= -0.886 (180deg=-3.43!) USER MOD Single : A 90 ASN : amide:sc= -0.38 K(o=-0.38,f=-7.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= -0.055 (180deg=-0.329) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 104 ASN : amide:sc= -1.61! C(o=-1.6!,f=-1.3!) USER MOD Single : A 109 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -157:sc= -1.86! (180deg=-3.09!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 164:sc= -0.0251 (180deg=-0.228) USER MOD Single : A 125 LYS NZ :NH3+ 141:sc= 1.11 (180deg=-0.528) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.0735 X(o=-0.074,f=-0.13) USER MOD Single : A 140 SER OG : rot -55:sc= 0.415 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.778 -23.876 -11.845 1.00 0.00 N ATOM 2 CA GLY A 1 -5.577 -22.643 -11.106 1.00 0.00 C ATOM 3 C GLY A 1 -5.119 -21.503 -11.993 1.00 0.00 C ATOM 4 O GLY A 1 -3.926 -21.207 -12.069 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.091 -24.624 -11.194 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.503 -23.728 -12.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.885 -24.160 -12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.508 -22.363 -10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.838 -22.809 -10.323 1.00 0.00 H new ATOM 8 N SER A 2 -6.068 -20.861 -12.667 1.00 0.00 N ATOM 9 CA SER A 2 -5.755 -19.750 -13.558 1.00 0.00 C ATOM 10 C SER A 2 -6.380 -18.454 -13.051 1.00 0.00 C ATOM 11 O SER A 2 -6.927 -17.671 -13.827 1.00 0.00 O ATOM 12 CB SER A 2 -6.250 -20.049 -14.974 1.00 0.00 C ATOM 13 OG SER A 2 -5.577 -21.168 -15.524 1.00 0.00 O ATOM 0 H SER A 2 -7.060 -21.091 -12.613 1.00 0.00 H new ATOM 0 HA SER A 2 -4.672 -19.627 -13.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.323 -20.239 -14.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.092 -19.177 -15.609 1.00 0.00 H new ATOM 0 HG SER A 2 -5.913 -21.339 -16.429 1.00 0.00 H new ATOM 19 N SER A 3 -6.295 -18.236 -11.743 1.00 0.00 N ATOM 20 CA SER A 3 -6.855 -17.037 -11.130 1.00 0.00 C ATOM 21 C SER A 3 -5.925 -15.843 -11.322 1.00 0.00 C ATOM 22 O SER A 3 -4.777 -15.859 -10.880 1.00 0.00 O ATOM 23 CB SER A 3 -7.104 -17.270 -9.638 1.00 0.00 C ATOM 24 OG SER A 3 -7.576 -16.090 -9.010 1.00 0.00 O ATOM 0 H SER A 3 -5.844 -18.874 -11.087 1.00 0.00 H new ATOM 0 HA SER A 3 -7.804 -16.818 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.832 -18.071 -9.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.181 -17.597 -9.159 1.00 0.00 H new ATOM 0 HG SER A 3 -7.729 -16.265 -8.058 1.00 0.00 H new ATOM 30 N GLY A 4 -6.431 -14.807 -11.985 1.00 0.00 N ATOM 31 CA GLY A 4 -5.634 -13.619 -12.224 1.00 0.00 C ATOM 32 C GLY A 4 -6.461 -12.349 -12.190 1.00 0.00 C ATOM 33 O GLY A 4 -6.375 -11.520 -13.097 1.00 0.00 O ATOM 0 H GLY A 4 -7.379 -14.770 -12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.847 -13.556 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.143 -13.703 -13.194 1.00 0.00 H new ATOM 37 N SER A 5 -7.265 -12.196 -11.143 1.00 0.00 N ATOM 38 CA SER A 5 -8.115 -11.020 -10.998 1.00 0.00 C ATOM 39 C SER A 5 -8.399 -10.734 -9.526 1.00 0.00 C ATOM 40 O SER A 5 -9.084 -11.504 -8.853 1.00 0.00 O ATOM 41 CB SER A 5 -9.430 -11.220 -11.753 1.00 0.00 C ATOM 42 OG SER A 5 -10.091 -12.397 -11.324 1.00 0.00 O ATOM 0 H SER A 5 -7.346 -12.871 -10.383 1.00 0.00 H new ATOM 0 HA SER A 5 -7.587 -10.165 -11.421 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.078 -10.358 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.233 -11.280 -12.823 1.00 0.00 H new ATOM 0 HG SER A 5 -9.939 -12.526 -10.365 1.00 0.00 H new ATOM 48 N SER A 6 -7.866 -9.620 -9.033 1.00 0.00 N ATOM 49 CA SER A 6 -8.058 -9.233 -7.640 1.00 0.00 C ATOM 50 C SER A 6 -7.617 -7.790 -7.413 1.00 0.00 C ATOM 51 O SER A 6 -6.912 -7.207 -8.235 1.00 0.00 O ATOM 52 CB SER A 6 -7.277 -10.169 -6.716 1.00 0.00 C ATOM 53 OG SER A 6 -5.910 -10.227 -7.086 1.00 0.00 O ATOM 0 H SER A 6 -7.298 -8.970 -9.577 1.00 0.00 H new ATOM 0 HA SER A 6 -9.120 -9.311 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.364 -9.824 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.710 -11.168 -6.755 1.00 0.00 H new ATOM 0 HG SER A 6 -5.439 -9.449 -6.721 1.00 0.00 H new ATOM 59 N GLY A 7 -8.040 -7.219 -6.288 1.00 0.00 N ATOM 60 CA GLY A 7 -7.680 -5.850 -5.971 1.00 0.00 C ATOM 61 C GLY A 7 -8.837 -4.889 -6.155 1.00 0.00 C ATOM 62 O GLY A 7 -9.985 -5.224 -5.862 1.00 0.00 O ATOM 0 H GLY A 7 -8.625 -7.681 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.330 -5.799 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.850 -5.540 -6.605 1.00 0.00 H new ATOM 66 N LYS A 8 -8.537 -3.689 -6.639 1.00 0.00 N ATOM 67 CA LYS A 8 -9.561 -2.674 -6.862 1.00 0.00 C ATOM 68 C LYS A 8 -10.610 -2.709 -5.755 1.00 0.00 C ATOM 69 O LYS A 8 -11.759 -2.322 -5.965 1.00 0.00 O ATOM 70 CB LYS A 8 -10.230 -2.886 -8.221 1.00 0.00 C ATOM 71 CG LYS A 8 -11.481 -3.746 -8.156 1.00 0.00 C ATOM 72 CD LYS A 8 -11.761 -4.424 -9.486 1.00 0.00 C ATOM 73 CE LYS A 8 -10.810 -5.586 -9.731 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.238 -6.815 -9.009 1.00 0.00 N ATOM 0 H LYS A 8 -7.592 -3.395 -6.885 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.079 -1.697 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.488 -1.915 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.515 -3.350 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.364 -4.501 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.334 -3.128 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.789 -4.785 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.665 -3.698 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.757 -5.793 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.806 -5.307 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.564 -7.583 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.264 -6.626 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.185 -7.096 -9.333 1.00 0.00 H new ATOM 88 N ALA A 9 -10.206 -3.173 -4.577 1.00 0.00 N ATOM 89 CA ALA A 9 -11.111 -3.254 -3.437 1.00 0.00 C ATOM 90 C ALA A 9 -11.056 -1.979 -2.601 1.00 0.00 C ATOM 91 O ALA A 9 -11.032 -2.034 -1.372 1.00 0.00 O ATOM 92 CB ALA A 9 -10.772 -4.464 -2.580 1.00 0.00 C ATOM 0 H ALA A 9 -9.258 -3.498 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.127 -3.365 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.455 -4.512 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.869 -5.371 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.748 -4.377 -2.216 1.00 0.00 H new ATOM 98 N GLN A 10 -11.036 -0.835 -3.277 1.00 0.00 N ATOM 99 CA GLN A 10 -10.983 0.453 -2.595 1.00 0.00 C ATOM 100 C GLN A 10 -12.377 0.903 -2.171 1.00 0.00 C ATOM 101 O GLN A 10 -12.596 1.279 -1.019 1.00 0.00 O ATOM 102 CB GLN A 10 -10.347 1.508 -3.502 1.00 0.00 C ATOM 103 CG GLN A 10 -8.845 1.345 -3.666 1.00 0.00 C ATOM 104 CD GLN A 10 -8.248 2.362 -4.618 1.00 0.00 C ATOM 105 OE1 GLN A 10 -8.967 3.040 -5.352 1.00 0.00 O ATOM 106 NE2 GLN A 10 -6.924 2.474 -4.611 1.00 0.00 N ATOM 0 H GLN A 10 -11.056 -0.773 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.372 0.337 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.818 1.462 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.554 2.498 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.365 1.439 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.630 0.341 -4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.366 1.892 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.465 3.142 -5.230 1.00 0.00 H new ATOM 115 N LYS A 11 -13.317 0.862 -3.109 1.00 0.00 N ATOM 116 CA LYS A 11 -14.691 1.264 -2.834 1.00 0.00 C ATOM 117 C LYS A 11 -15.376 0.263 -1.908 1.00 0.00 C ATOM 118 O LYS A 11 -16.117 0.647 -1.002 1.00 0.00 O ATOM 119 CB LYS A 11 -15.479 1.389 -4.140 1.00 0.00 C ATOM 120 CG LYS A 11 -14.880 2.384 -5.119 1.00 0.00 C ATOM 121 CD LYS A 11 -15.337 3.802 -4.823 1.00 0.00 C ATOM 122 CE LYS A 11 -16.695 4.091 -5.443 1.00 0.00 C ATOM 123 NZ LYS A 11 -17.005 5.548 -5.447 1.00 0.00 N ATOM 0 H LYS A 11 -13.152 0.554 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.667 2.234 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.533 0.410 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.502 1.689 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.792 2.334 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.166 2.113 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.389 3.951 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.602 4.510 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.715 3.713 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.468 3.557 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.939 5.703 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.011 5.904 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.282 6.055 -5.996 1.00 0.00 H new ATOM 137 N LEU A 12 -15.123 -1.020 -2.141 1.00 0.00 N ATOM 138 CA LEU A 12 -15.714 -2.076 -1.327 1.00 0.00 C ATOM 139 C LEU A 12 -14.958 -2.238 -0.013 1.00 0.00 C ATOM 140 O LEU A 12 -14.659 -3.355 0.409 1.00 0.00 O ATOM 141 CB LEU A 12 -15.715 -3.399 -2.095 1.00 0.00 C ATOM 142 CG LEU A 12 -16.742 -4.437 -1.643 1.00 0.00 C ATOM 143 CD1 LEU A 12 -18.154 -3.959 -1.946 1.00 0.00 C ATOM 144 CD2 LEU A 12 -16.476 -5.778 -2.313 1.00 0.00 C ATOM 0 H LEU A 12 -14.513 -1.354 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.742 -1.794 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.886 -3.184 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.722 -3.842 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.648 -4.567 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -18.871 -4.711 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -18.342 -3.023 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.262 -3.800 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.217 -6.505 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.542 -5.664 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.479 -6.127 -2.045 1.00 0.00 H new ATOM 156 N ASN A 13 -14.653 -1.116 0.631 1.00 0.00 N ATOM 157 CA ASN A 13 -13.933 -1.134 1.899 1.00 0.00 C ATOM 158 C ASN A 13 -14.904 -1.157 3.076 1.00 0.00 C ATOM 159 O ASN A 13 -15.801 -0.320 3.169 1.00 0.00 O ATOM 160 CB ASN A 13 -13.015 0.085 2.005 1.00 0.00 C ATOM 161 CG ASN A 13 -13.756 1.389 1.778 1.00 0.00 C ATOM 162 OD1 ASN A 13 -14.968 1.397 1.565 1.00 0.00 O ATOM 163 ND2 ASN A 13 -13.028 2.499 1.822 1.00 0.00 N ATOM 0 H ASN A 13 -14.893 -0.183 0.296 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.328 -2.040 1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.550 0.101 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.211 -0.005 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.471 3.406 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.025 2.445 2.002 1.00 0.00 H new ATOM 170 N GLU A 14 -14.717 -2.122 3.972 1.00 0.00 N ATOM 171 CA GLU A 14 -15.576 -2.253 5.142 1.00 0.00 C ATOM 172 C GLU A 14 -14.769 -2.112 6.429 1.00 0.00 C ATOM 173 O GLU A 14 -15.154 -1.376 7.337 1.00 0.00 O ATOM 174 CB GLU A 14 -16.296 -3.604 5.124 1.00 0.00 C ATOM 175 CG GLU A 14 -17.494 -3.667 6.057 1.00 0.00 C ATOM 176 CD GLU A 14 -18.716 -2.977 5.483 1.00 0.00 C ATOM 177 OE1 GLU A 14 -19.337 -3.542 4.559 1.00 0.00 O ATOM 178 OE2 GLU A 14 -19.052 -1.872 5.958 1.00 0.00 O ATOM 0 H GLU A 14 -13.979 -2.823 3.909 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.316 -1.453 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.626 -3.817 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.589 -4.387 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.734 -4.710 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.233 -3.204 7.009 1.00 0.00 H new ATOM 185 N GLN A 15 -13.647 -2.822 6.498 1.00 0.00 N ATOM 186 CA GLN A 15 -12.786 -2.776 7.674 1.00 0.00 C ATOM 187 C GLN A 15 -11.322 -2.945 7.283 1.00 0.00 C ATOM 188 O GLN A 15 -10.989 -3.757 6.419 1.00 0.00 O ATOM 189 CB GLN A 15 -13.189 -3.865 8.670 1.00 0.00 C ATOM 190 CG GLN A 15 -12.990 -5.277 8.141 1.00 0.00 C ATOM 191 CD GLN A 15 -12.851 -6.301 9.250 1.00 0.00 C ATOM 192 OE1 GLN A 15 -11.762 -6.820 9.499 1.00 0.00 O ATOM 193 NE2 GLN A 15 -13.956 -6.598 9.924 1.00 0.00 N ATOM 0 H GLN A 15 -13.313 -3.435 5.754 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.907 -1.800 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.608 -3.743 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.237 -3.731 8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.835 -5.546 7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.099 -5.304 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.837 -6.144 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.923 -7.280 10.682 1.00 0.00 H new ATOM 202 N HIS A 16 -10.451 -2.172 7.924 1.00 0.00 N ATOM 203 CA HIS A 16 -9.021 -2.236 7.643 1.00 0.00 C ATOM 204 C HIS A 16 -8.508 -3.668 7.760 1.00 0.00 C ATOM 205 O HIS A 16 -8.011 -4.240 6.790 1.00 0.00 O ATOM 206 CB HIS A 16 -8.250 -1.326 8.600 1.00 0.00 C ATOM 207 CG HIS A 16 -8.881 0.020 8.784 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.684 0.741 7.968 1.00 0.00 N flip ATOM 209 CD2 HIS A 16 -8.710 0.782 9.921 1.00 0.00 C flip ATOM 210 CE1 HIS A 16 -9.982 1.912 8.620 1.00 0.00 C flip ATOM 211 NE2 HIS A 16 -9.382 1.912 9.797 1.00 0.00 N flip ATOM 0 H HIS A 16 -10.710 -1.494 8.641 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.861 -1.894 6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.170 -1.817 9.570 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.235 -1.194 8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.119 0.499 10.779 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.606 2.704 8.233 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.430 2.658 10.491 1.00 0.00 H new ATOM 219 N GLN A 17 -8.631 -4.240 8.953 1.00 0.00 N ATOM 220 CA GLN A 17 -8.178 -5.605 9.196 1.00 0.00 C ATOM 221 C GLN A 17 -8.379 -6.473 7.959 1.00 0.00 C ATOM 222 O GLN A 17 -7.451 -7.139 7.497 1.00 0.00 O ATOM 223 CB GLN A 17 -8.927 -6.209 10.385 1.00 0.00 C ATOM 224 CG GLN A 17 -8.271 -5.924 11.726 1.00 0.00 C ATOM 225 CD GLN A 17 -8.087 -4.442 11.983 1.00 0.00 C ATOM 226 OE1 GLN A 17 -9.060 -3.699 12.122 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.836 -4.002 12.048 1.00 0.00 N ATOM 0 H GLN A 17 -9.040 -3.780 9.766 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.113 -5.573 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.945 -5.820 10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.000 -7.288 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.879 -6.354 12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.300 -6.419 11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.060 -4.652 11.927 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.651 -3.014 12.219 1.00 0.00 H new ATOM 236 N LEU A 18 -9.596 -6.463 7.426 1.00 0.00 N ATOM 237 CA LEU A 18 -9.919 -7.250 6.241 1.00 0.00 C ATOM 238 C LEU A 18 -9.101 -6.788 5.040 1.00 0.00 C ATOM 239 O LEU A 18 -8.464 -7.595 4.362 1.00 0.00 O ATOM 240 CB LEU A 18 -11.412 -7.145 5.926 1.00 0.00 C ATOM 241 CG LEU A 18 -11.898 -7.928 4.706 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.705 -9.421 4.918 1.00 0.00 C ATOM 243 CD2 LEU A 18 -13.358 -7.612 4.416 1.00 0.00 C ATOM 0 H LEU A 18 -10.375 -5.919 7.796 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.670 -8.291 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.971 -7.485 6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.659 -6.093 5.780 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.304 -7.625 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.057 -9.962 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.647 -9.632 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.273 -9.741 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.687 -8.178 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.967 -7.885 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.467 -6.546 4.218 1.00 0.00 H new ATOM 255 N ILE A 19 -9.121 -5.484 4.783 1.00 0.00 N ATOM 256 CA ILE A 19 -8.378 -4.915 3.666 1.00 0.00 C ATOM 257 C ILE A 19 -6.926 -5.379 3.678 1.00 0.00 C ATOM 258 O ILE A 19 -6.473 -6.062 2.759 1.00 0.00 O ATOM 259 CB ILE A 19 -8.414 -3.375 3.693 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.857 -2.875 3.603 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.578 -2.806 2.556 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.008 -1.405 3.926 1.00 0.00 C ATOM 0 H ILE A 19 -9.644 -4.802 5.333 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.861 -5.266 2.754 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.989 -3.033 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.234 -3.058 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.477 -3.455 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.613 -1.717 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.545 -3.139 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.976 -3.154 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.057 -1.120 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.661 -1.218 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.415 -0.816 3.226 1.00 0.00 H new ATOM 274 N LEU A 20 -6.199 -5.004 4.725 1.00 0.00 N ATOM 275 CA LEU A 20 -4.797 -5.384 4.859 1.00 0.00 C ATOM 276 C LEU A 20 -4.590 -6.847 4.481 1.00 0.00 C ATOM 277 O LEU A 20 -3.592 -7.201 3.855 1.00 0.00 O ATOM 278 CB LEU A 20 -4.318 -5.143 6.291 1.00 0.00 C ATOM 279 CG LEU A 20 -4.276 -3.684 6.749 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.258 -3.601 8.267 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.065 -2.975 6.160 1.00 0.00 C ATOM 0 H LEU A 20 -6.557 -4.437 5.494 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.212 -4.766 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.968 -5.697 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.318 -5.564 6.394 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.175 -3.184 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.228 -2.556 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.156 -4.071 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.377 -4.117 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.051 -1.938 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.154 -3.476 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.121 -3.003 5.072 1.00 0.00 H new ATOM 293 N SER A 21 -5.542 -7.692 4.864 1.00 0.00 N ATOM 294 CA SER A 21 -5.464 -9.117 4.566 1.00 0.00 C ATOM 295 C SER A 21 -5.717 -9.378 3.084 1.00 0.00 C ATOM 296 O SER A 21 -5.022 -10.175 2.454 1.00 0.00 O ATOM 297 CB SER A 21 -6.476 -9.893 5.412 1.00 0.00 C ATOM 298 OG SER A 21 -6.153 -9.817 6.790 1.00 0.00 O ATOM 0 H SER A 21 -6.376 -7.414 5.381 1.00 0.00 H new ATOM 0 HA SER A 21 -4.458 -9.459 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.476 -9.492 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.495 -10.936 5.097 1.00 0.00 H new ATOM 0 HG SER A 21 -6.513 -8.986 7.165 1.00 0.00 H new ATOM 304 N LYS A 22 -6.717 -8.699 2.533 1.00 0.00 N ATOM 305 CA LYS A 22 -7.064 -8.853 1.125 1.00 0.00 C ATOM 306 C LYS A 22 -5.865 -8.547 0.233 1.00 0.00 C ATOM 307 O LYS A 22 -5.663 -9.193 -0.795 1.00 0.00 O ATOM 308 CB LYS A 22 -8.232 -7.934 0.762 1.00 0.00 C ATOM 309 CG LYS A 22 -9.594 -8.583 0.936 1.00 0.00 C ATOM 310 CD LYS A 22 -10.698 -7.735 0.326 1.00 0.00 C ATOM 311 CE LYS A 22 -11.138 -6.629 1.273 1.00 0.00 C ATOM 312 NZ LYS A 22 -11.780 -5.499 0.546 1.00 0.00 N ATOM 0 H LYS A 22 -7.302 -8.036 3.041 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.362 -9.889 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.184 -7.038 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.122 -7.612 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.591 -9.568 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.794 -8.733 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.348 -7.297 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.551 -8.367 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.837 -7.034 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.275 -6.261 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.484 -5.045 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.056 -4.803 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.249 -5.859 -0.310 1.00 0.00 H new ATOM 326 N LEU A 23 -5.073 -7.559 0.634 1.00 0.00 N ATOM 327 CA LEU A 23 -3.893 -7.167 -0.129 1.00 0.00 C ATOM 328 C LEU A 23 -2.853 -8.283 -0.134 1.00 0.00 C ATOM 329 O LEU A 23 -2.378 -8.700 -1.191 1.00 0.00 O ATOM 330 CB LEU A 23 -3.285 -5.890 0.453 1.00 0.00 C ATOM 331 CG LEU A 23 -4.264 -4.751 0.740 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.542 -3.575 1.378 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.966 -4.317 -0.539 1.00 0.00 C ATOM 0 H LEU A 23 -5.226 -7.015 1.483 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.202 -6.978 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.774 -6.145 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.526 -5.525 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.017 -5.112 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.255 -2.774 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.086 -3.893 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.767 -3.213 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.659 -3.506 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.226 -3.974 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.517 -5.160 -0.956 1.00 0.00 H new ATOM 345 N LEU A 24 -2.504 -8.764 1.054 1.00 0.00 N ATOM 346 CA LEU A 24 -1.522 -9.834 1.188 1.00 0.00 C ATOM 347 C LEU A 24 -1.886 -11.022 0.303 1.00 0.00 C ATOM 348 O LEU A 24 -1.053 -11.527 -0.450 1.00 0.00 O ATOM 349 CB LEU A 24 -1.422 -10.283 2.647 1.00 0.00 C ATOM 350 CG LEU A 24 -0.612 -9.375 3.574 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.787 -9.800 5.024 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.859 -9.393 3.185 1.00 0.00 C ATOM 0 H LEU A 24 -2.887 -8.430 1.939 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.555 -9.447 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.431 -10.372 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.981 -11.279 2.670 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.983 -8.356 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.204 -9.143 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.840 -9.735 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.443 -10.827 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.420 -8.742 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.243 -10.410 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.969 -9.040 2.160 1.00 0.00 H new ATOM 364 N ARG A 25 -3.137 -11.463 0.398 1.00 0.00 N ATOM 365 CA ARG A 25 -3.612 -12.590 -0.394 1.00 0.00 C ATOM 366 C ARG A 25 -3.126 -12.484 -1.837 1.00 0.00 C ATOM 367 O ARG A 25 -2.786 -13.488 -2.462 1.00 0.00 O ATOM 368 CB ARG A 25 -5.140 -12.655 -0.362 1.00 0.00 C ATOM 369 CG ARG A 25 -5.698 -13.261 0.915 1.00 0.00 C ATOM 370 CD ARG A 25 -7.203 -13.070 1.011 1.00 0.00 C ATOM 371 NE ARG A 25 -7.935 -14.166 0.382 1.00 0.00 N ATOM 372 CZ ARG A 25 -9.235 -14.377 0.555 1.00 0.00 C ATOM 373 NH1 ARG A 25 -9.943 -13.571 1.334 1.00 0.00 N ATOM 374 NH2 ARG A 25 -9.830 -15.396 -0.052 1.00 0.00 N ATOM 0 H ARG A 25 -3.839 -11.056 1.016 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.207 -13.504 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.540 -11.648 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.488 -13.240 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.462 -14.325 0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.216 -12.801 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.493 -12.995 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.480 -12.129 0.536 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.420 -14.805 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.490 -12.786 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.941 -13.735 1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.289 -16.018 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.828 -15.557 0.082 1.00 0.00 H new ATOM 388 N GLU A 26 -3.098 -11.261 -2.358 1.00 0.00 N ATOM 389 CA GLU A 26 -2.656 -11.025 -3.727 1.00 0.00 C ATOM 390 C GLU A 26 -1.196 -11.431 -3.905 1.00 0.00 C ATOM 391 O GLU A 26 -0.352 -11.137 -3.058 1.00 0.00 O ATOM 392 CB GLU A 26 -2.835 -9.551 -4.098 1.00 0.00 C ATOM 393 CG GLU A 26 -4.268 -9.062 -3.971 1.00 0.00 C ATOM 394 CD GLU A 26 -4.504 -7.753 -4.699 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.636 -7.780 -5.940 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.556 -6.701 -4.027 1.00 0.00 O ATOM 0 H GLU A 26 -3.376 -10.419 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.269 -11.636 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.195 -8.944 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.498 -9.399 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.943 -9.821 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.513 -8.936 -2.916 1.00 0.00 H new ATOM 403 N GLU A 27 -0.906 -12.109 -5.011 1.00 0.00 N ATOM 404 CA GLU A 27 0.451 -12.557 -5.299 1.00 0.00 C ATOM 405 C GLU A 27 1.441 -11.401 -5.185 1.00 0.00 C ATOM 406 O GLU A 27 2.575 -11.582 -4.742 1.00 0.00 O ATOM 407 CB GLU A 27 0.524 -13.170 -6.699 1.00 0.00 C ATOM 408 CG GLU A 27 -0.118 -14.543 -6.796 1.00 0.00 C ATOM 409 CD GLU A 27 -1.469 -14.606 -6.111 1.00 0.00 C ATOM 410 OE1 GLU A 27 -1.500 -14.728 -4.869 1.00 0.00 O ATOM 411 OE2 GLU A 27 -2.496 -14.533 -6.818 1.00 0.00 O ATOM 0 H GLU A 27 -1.593 -12.360 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 27 0.719 -13.316 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.036 -12.499 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.569 -13.245 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.234 -14.812 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.546 -15.283 -6.349 1.00 0.00 H new ATOM 418 N ASP A 28 1.003 -10.214 -5.590 1.00 0.00 N ATOM 419 CA ASP A 28 1.850 -9.027 -5.533 1.00 0.00 C ATOM 420 C ASP A 28 2.302 -8.750 -4.103 1.00 0.00 C ATOM 421 O ASP A 28 3.335 -8.119 -3.880 1.00 0.00 O ATOM 422 CB ASP A 28 1.102 -7.814 -6.089 1.00 0.00 C ATOM 423 CG ASP A 28 0.253 -8.161 -7.297 1.00 0.00 C ATOM 424 OD1 ASP A 28 0.826 -8.592 -8.320 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.983 -8.002 -7.219 1.00 0.00 O ATOM 0 H ASP A 28 0.068 -10.048 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 28 2.733 -9.211 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.466 -7.395 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.821 -7.042 -6.363 1.00 0.00 H new ATOM 430 N ASN A 29 1.522 -9.225 -3.138 1.00 0.00 N ATOM 431 CA ASN A 29 1.842 -9.027 -1.729 1.00 0.00 C ATOM 432 C ASN A 29 1.971 -10.365 -1.007 1.00 0.00 C ATOM 433 O ASN A 29 1.646 -10.479 0.175 1.00 0.00 O ATOM 434 CB ASN A 29 0.765 -8.173 -1.056 1.00 0.00 C ATOM 435 CG ASN A 29 0.448 -6.916 -1.842 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.286 -6.410 -2.589 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.767 -6.406 -1.677 1.00 0.00 N ATOM 0 H ASN A 29 0.664 -9.750 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 29 2.799 -8.508 -1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.143 -8.764 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.097 -7.898 -0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.038 -5.561 -2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.429 -6.859 -1.047 1.00 0.00 H new ATOM 444 N LYS A 30 2.449 -11.375 -1.726 1.00 0.00 N ATOM 445 CA LYS A 30 2.624 -12.705 -1.156 1.00 0.00 C ATOM 446 C LYS A 30 3.968 -12.819 -0.444 1.00 0.00 C ATOM 447 O LYS A 30 4.111 -13.578 0.515 1.00 0.00 O ATOM 448 CB LYS A 30 2.523 -13.769 -2.250 1.00 0.00 C ATOM 449 CG LYS A 30 1.118 -14.314 -2.442 1.00 0.00 C ATOM 450 CD LYS A 30 0.711 -15.223 -1.294 1.00 0.00 C ATOM 451 CE LYS A 30 -0.736 -15.672 -1.425 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.135 -16.587 -0.320 1.00 0.00 N ATOM 0 H LYS A 30 2.722 -11.297 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 30 1.831 -12.867 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.870 -13.344 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.193 -14.593 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.413 -13.486 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.066 -14.866 -3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.363 -16.096 -1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.846 -14.699 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.388 -14.799 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.875 -16.176 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.128 -16.870 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.529 -17.432 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.027 -16.098 0.592 1.00 0.00 H new ATOM 466 N TYR A 31 4.950 -12.060 -0.918 1.00 0.00 N ATOM 467 CA TYR A 31 6.283 -12.077 -0.327 1.00 0.00 C ATOM 468 C TYR A 31 6.770 -10.660 -0.041 1.00 0.00 C ATOM 469 O TYR A 31 6.133 -9.681 -0.432 1.00 0.00 O ATOM 470 CB TYR A 31 7.267 -12.788 -1.257 1.00 0.00 C ATOM 471 CG TYR A 31 6.692 -14.020 -1.919 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.354 -15.141 -1.170 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.487 -14.064 -3.292 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.829 -16.270 -1.770 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.961 -15.188 -3.901 1.00 0.00 C ATOM 476 CZ TYR A 31 5.634 -16.288 -3.136 1.00 0.00 C ATOM 477 OH TYR A 31 5.112 -17.409 -3.738 1.00 0.00 O ATOM 0 H TYR A 31 4.848 -11.425 -1.710 1.00 0.00 H new ATOM 0 HA TYR A 31 6.228 -12.620 0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.594 -12.090 -2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.152 -13.071 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.504 -15.130 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.743 -13.205 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.573 -17.133 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.807 -15.205 -4.970 1.00 0.00 H new ATOM 0 HH TYR A 31 5.037 -17.257 -4.703 1.00 0.00 H new ATOM 487 N CYS A 32 7.904 -10.558 0.644 1.00 0.00 N ATOM 488 CA CYS A 32 8.479 -9.262 0.983 1.00 0.00 C ATOM 489 C CYS A 32 8.815 -8.469 -0.276 1.00 0.00 C ATOM 490 O CYS A 32 8.823 -9.012 -1.381 1.00 0.00 O ATOM 491 CB CYS A 32 9.737 -9.446 1.834 1.00 0.00 C ATOM 492 SG CYS A 32 10.303 -7.926 2.663 1.00 0.00 S ATOM 0 H CYS A 32 8.443 -11.358 0.975 1.00 0.00 H new ATOM 0 HA CYS A 32 7.739 -8.703 1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.544 -10.208 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.540 -9.822 1.200 1.00 0.00 H new ATOM 497 N ALA A 33 9.092 -7.181 -0.102 1.00 0.00 N ATOM 498 CA ALA A 33 9.430 -6.313 -1.223 1.00 0.00 C ATOM 499 C ALA A 33 10.941 -6.152 -1.355 1.00 0.00 C ATOM 500 O ALA A 33 11.431 -5.588 -2.334 1.00 0.00 O ATOM 501 CB ALA A 33 8.765 -4.955 -1.059 1.00 0.00 C ATOM 0 H ALA A 33 9.089 -6.715 0.806 1.00 0.00 H new ATOM 0 HA ALA A 33 9.059 -6.778 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.026 -4.317 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.683 -5.082 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.108 -4.491 -0.134 1.00 0.00 H new ATOM 507 N ASP A 34 11.673 -6.649 -0.365 1.00 0.00 N ATOM 508 CA ASP A 34 13.129 -6.560 -0.371 1.00 0.00 C ATOM 509 C ASP A 34 13.758 -7.948 -0.426 1.00 0.00 C ATOM 510 O ASP A 34 14.592 -8.230 -1.287 1.00 0.00 O ATOM 511 CB ASP A 34 13.621 -5.812 0.869 1.00 0.00 C ATOM 512 CG ASP A 34 12.976 -4.448 1.016 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.882 -3.723 0.003 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.565 -4.105 2.144 1.00 0.00 O ATOM 0 H ASP A 34 11.283 -7.118 0.452 1.00 0.00 H new ATOM 0 HA ASP A 34 13.431 -6.009 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.410 -6.408 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.703 -5.695 0.814 1.00 0.00 H new ATOM 519 N CYS A 35 13.355 -8.812 0.500 1.00 0.00 N ATOM 520 CA CYS A 35 13.879 -10.171 0.559 1.00 0.00 C ATOM 521 C CYS A 35 12.834 -11.179 0.090 1.00 0.00 C ATOM 522 O CYS A 35 13.016 -12.387 0.229 1.00 0.00 O ATOM 523 CB CYS A 35 14.323 -10.507 1.984 1.00 0.00 C ATOM 524 SG CYS A 35 12.947 -10.761 3.151 1.00 0.00 S ATOM 0 H CYS A 35 12.666 -8.594 1.220 1.00 0.00 H new ATOM 0 HA CYS A 35 14.740 -10.230 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.935 -11.408 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.956 -9.701 2.355 1.00 0.00 H new ATOM 529 N GLU A 36 11.739 -10.671 -0.468 1.00 0.00 N ATOM 530 CA GLU A 36 10.665 -11.527 -0.957 1.00 0.00 C ATOM 531 C GLU A 36 10.488 -12.747 -0.058 1.00 0.00 C ATOM 532 O GLU A 36 10.328 -13.868 -0.540 1.00 0.00 O ATOM 533 CB GLU A 36 10.952 -11.974 -2.392 1.00 0.00 C ATOM 534 CG GLU A 36 10.785 -10.867 -3.420 1.00 0.00 C ATOM 535 CD GLU A 36 10.540 -11.401 -4.818 1.00 0.00 C ATOM 536 OE1 GLU A 36 9.988 -12.515 -4.938 1.00 0.00 O ATOM 537 OE2 GLU A 36 10.901 -10.706 -5.790 1.00 0.00 O ATOM 0 H GLU A 36 11.573 -9.672 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 36 9.740 -10.950 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.970 -12.358 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.286 -12.798 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.952 -10.228 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.679 -10.243 -3.425 1.00 0.00 H new ATOM 544 N ALA A 37 10.520 -12.520 1.251 1.00 0.00 N ATOM 545 CA ALA A 37 10.362 -13.599 2.218 1.00 0.00 C ATOM 546 C ALA A 37 8.979 -14.231 2.114 1.00 0.00 C ATOM 547 O ALA A 37 8.064 -13.655 1.526 1.00 0.00 O ATOM 548 CB ALA A 37 10.605 -13.083 3.628 1.00 0.00 C ATOM 0 H ALA A 37 10.654 -11.598 1.666 1.00 0.00 H new ATOM 0 HA ALA A 37 11.101 -14.368 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.484 -13.899 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.617 -12.686 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.888 -12.294 3.855 1.00 0.00 H new ATOM 554 N LYS A 38 8.832 -15.421 2.688 1.00 0.00 N ATOM 555 CA LYS A 38 7.560 -16.132 2.661 1.00 0.00 C ATOM 556 C LYS A 38 6.696 -15.748 3.858 1.00 0.00 C ATOM 557 O LYS A 38 7.028 -16.058 5.001 1.00 0.00 O ATOM 558 CB LYS A 38 7.798 -17.644 2.656 1.00 0.00 C ATOM 559 CG LYS A 38 6.702 -18.430 1.957 1.00 0.00 C ATOM 560 CD LYS A 38 7.145 -19.850 1.647 1.00 0.00 C ATOM 561 CE LYS A 38 5.959 -20.801 1.578 1.00 0.00 C ATOM 562 NZ LYS A 38 5.426 -21.123 2.931 1.00 0.00 N ATOM 0 H LYS A 38 9.579 -15.913 3.178 1.00 0.00 H new ATOM 0 HA LYS A 38 7.034 -15.849 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.750 -17.852 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.884 -17.993 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.813 -18.455 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.424 -17.925 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.681 -19.866 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.842 -20.190 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.170 -20.354 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.260 -21.721 1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.748 -21.909 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.210 -21.398 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.947 -20.287 3.323 1.00 0.00 H new ATOM 576 N GLY A 39 5.585 -15.071 3.586 1.00 0.00 N ATOM 577 CA GLY A 39 4.690 -14.656 4.651 1.00 0.00 C ATOM 578 C GLY A 39 5.091 -13.328 5.261 1.00 0.00 C ATOM 579 O GLY A 39 5.422 -13.238 6.444 1.00 0.00 O ATOM 0 H GLY A 39 5.288 -14.802 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.675 -14.581 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.676 -15.420 5.428 1.00 0.00 H new ATOM 583 N PRO A 40 5.065 -12.265 4.443 1.00 0.00 N ATOM 584 CA PRO A 40 5.427 -10.916 4.888 1.00 0.00 C ATOM 585 C PRO A 40 4.398 -10.326 5.847 1.00 0.00 C ATOM 586 O PRO A 40 3.553 -9.525 5.448 1.00 0.00 O ATOM 587 CB PRO A 40 5.466 -10.112 3.585 1.00 0.00 C ATOM 588 CG PRO A 40 4.556 -10.844 2.661 1.00 0.00 C ATOM 589 CD PRO A 40 4.681 -12.299 3.022 1.00 0.00 C ATOM 0 HA PRO A 40 6.367 -10.907 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.130 -9.087 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.478 -10.058 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.527 -10.501 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.837 -10.674 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.742 -12.833 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.434 -12.801 2.414 1.00 0.00 H new ATOM 597 N ARG A 41 4.477 -10.726 7.111 1.00 0.00 N ATOM 598 CA ARG A 41 3.552 -10.237 8.126 1.00 0.00 C ATOM 599 C ARG A 41 3.625 -8.718 8.242 1.00 0.00 C ATOM 600 O ARG A 41 2.759 -8.005 7.735 1.00 0.00 O ATOM 601 CB ARG A 41 3.863 -10.878 9.481 1.00 0.00 C ATOM 602 CG ARG A 41 3.117 -10.240 10.641 1.00 0.00 C ATOM 603 CD ARG A 41 1.611 -10.371 10.476 1.00 0.00 C ATOM 604 NE ARG A 41 1.111 -11.638 11.004 1.00 0.00 N ATOM 605 CZ ARG A 41 -0.010 -12.216 10.587 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.743 -11.645 9.641 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.399 -13.369 11.116 1.00 0.00 N ATOM 0 H ARG A 41 5.172 -11.387 7.457 1.00 0.00 H new ATOM 0 HA ARG A 41 2.542 -10.513 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.613 -11.938 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.935 -10.811 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.424 -10.711 11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.386 -9.186 10.712 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.117 -9.545 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.354 -10.292 9.420 1.00 0.00 H new ATOM 0 HE ARG A 41 1.652 -12.104 11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.447 -10.759 9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.603 -12.092 9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.163 -13.812 11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.260 -13.812 10.796 1.00 0.00 H new ATOM 621 N TRP A 42 4.663 -8.230 8.912 1.00 0.00 N ATOM 622 CA TRP A 42 4.849 -6.795 9.094 1.00 0.00 C ATOM 623 C TRP A 42 4.596 -6.043 7.792 1.00 0.00 C ATOM 624 O TRP A 42 4.515 -6.647 6.722 1.00 0.00 O ATOM 625 CB TRP A 42 6.262 -6.503 9.600 1.00 0.00 C ATOM 626 CG TRP A 42 6.498 -6.966 11.006 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.657 -8.255 11.428 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.598 -6.144 12.174 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.851 -8.284 12.788 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.820 -7.002 13.269 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.525 -4.768 12.401 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.967 -6.526 14.569 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.671 -4.297 13.692 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.891 -5.174 14.762 1.00 0.00 C ATOM 0 H TRP A 42 5.388 -8.807 9.338 1.00 0.00 H new ATOM 0 HA TRP A 42 4.127 -6.452 9.835 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.983 -6.986 8.940 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.446 -5.430 9.543 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.634 -9.124 10.787 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.995 -9.124 13.348 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.357 -4.084 11.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.135 -7.200 15.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.615 -3.235 13.879 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.003 -4.775 15.759 1.00 0.00 H new ATOM 645 N ALA A 43 4.472 -4.724 7.889 1.00 0.00 N ATOM 646 CA ALA A 43 4.231 -3.890 6.718 1.00 0.00 C ATOM 647 C ALA A 43 4.551 -2.428 7.009 1.00 0.00 C ATOM 648 O ALA A 43 4.179 -1.898 8.057 1.00 0.00 O ATOM 649 CB ALA A 43 2.789 -4.035 6.255 1.00 0.00 C ATOM 0 H ALA A 43 4.534 -4.209 8.767 1.00 0.00 H new ATOM 0 HA ALA A 43 4.893 -4.227 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.623 -3.407 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.593 -5.076 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.117 -3.727 7.056 1.00 0.00 H new ATOM 655 N SER A 44 5.243 -1.781 6.077 1.00 0.00 N ATOM 656 CA SER A 44 5.616 -0.381 6.236 1.00 0.00 C ATOM 657 C SER A 44 4.576 0.535 5.599 1.00 0.00 C ATOM 658 O SER A 44 4.614 0.792 4.395 1.00 0.00 O ATOM 659 CB SER A 44 6.989 -0.123 5.613 1.00 0.00 C ATOM 660 OG SER A 44 7.683 0.896 6.311 1.00 0.00 O ATOM 0 H SER A 44 5.557 -2.204 5.204 1.00 0.00 H new ATOM 0 HA SER A 44 5.662 -0.162 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.576 -1.041 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.870 0.164 4.568 1.00 0.00 H new ATOM 0 HG SER A 44 8.558 1.041 5.894 1.00 0.00 H new ATOM 666 N TRP A 45 3.648 1.023 6.414 1.00 0.00 N ATOM 667 CA TRP A 45 2.596 1.911 5.930 1.00 0.00 C ATOM 668 C TRP A 45 3.189 3.175 5.318 1.00 0.00 C ATOM 669 O TRP A 45 2.841 3.557 4.202 1.00 0.00 O ATOM 670 CB TRP A 45 1.647 2.279 7.071 1.00 0.00 C ATOM 671 CG TRP A 45 2.271 3.175 8.098 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.190 2.821 9.044 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.019 4.572 8.282 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.525 3.915 9.805 1.00 0.00 N ATOM 675 CE2 TRP A 45 2.821 5.001 9.358 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.196 5.503 7.643 1.00 0.00 C ATOM 677 CZ2 TRP A 45 2.821 6.319 9.806 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.197 6.810 8.089 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.005 7.209 9.162 1.00 0.00 C ATOM 0 H TRP A 45 3.602 0.819 7.412 1.00 0.00 H new ATOM 0 HA TRP A 45 2.037 1.384 5.157 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.767 2.771 6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.303 1.366 7.557 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.594 1.828 9.175 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.191 3.918 10.578 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.570 5.206 6.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.443 6.628 10.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.564 7.537 7.602 1.00 0.00 H new ATOM 0 HH2 TRP A 45 1.983 8.239 9.487 1.00 0.00 H new ATOM 690 N ASN A 46 4.087 3.820 6.056 1.00 0.00 N ATOM 691 CA ASN A 46 4.728 5.042 5.585 1.00 0.00 C ATOM 692 C ASN A 46 4.976 4.981 4.081 1.00 0.00 C ATOM 693 O ASN A 46 4.655 5.919 3.350 1.00 0.00 O ATOM 694 CB ASN A 46 6.049 5.266 6.323 1.00 0.00 C ATOM 695 CG ASN A 46 6.846 6.420 5.744 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.454 6.197 4.585 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 6.913 7.499 6.333 1.00 0.00 N flip ATOM 0 H ASN A 46 4.387 3.517 6.982 1.00 0.00 H new ATOM 0 HA ASN A 46 4.058 5.877 5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.845 5.461 7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.647 4.356 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.429 7.626 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.452 8.266 5.932 1.00 0.00 H new ATOM 704 N ILE A 47 5.548 3.871 3.626 1.00 0.00 N ATOM 705 CA ILE A 47 5.837 3.687 2.209 1.00 0.00 C ATOM 706 C ILE A 47 4.635 3.105 1.474 1.00 0.00 C ATOM 707 O ILE A 47 4.233 3.606 0.425 1.00 0.00 O ATOM 708 CB ILE A 47 7.051 2.764 1.998 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.278 3.325 2.719 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.335 2.593 0.513 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.437 2.355 2.785 1.00 0.00 C ATOM 0 H ILE A 47 5.820 3.086 4.218 1.00 0.00 H new ATOM 0 HA ILE A 47 6.065 4.672 1.803 1.00 0.00 H new ATOM 0 HB ILE A 47 6.822 1.785 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.604 4.233 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.995 3.610 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.196 1.938 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.466 2.153 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.547 3.565 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.271 2.820 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.129 1.456 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.747 2.089 1.774 1.00 0.00 H new ATOM 723 N GLY A 48 4.064 2.042 2.033 1.00 0.00 N ATOM 724 CA GLY A 48 2.912 1.409 1.418 1.00 0.00 C ATOM 725 C GLY A 48 3.239 0.047 0.839 1.00 0.00 C ATOM 726 O GLY A 48 2.715 -0.334 -0.208 1.00 0.00 O ATOM 0 H GLY A 48 4.379 1.608 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.120 1.304 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.526 2.053 0.628 1.00 0.00 H new ATOM 730 N VAL A 49 4.110 -0.691 1.521 1.00 0.00 N ATOM 731 CA VAL A 49 4.507 -2.019 1.069 1.00 0.00 C ATOM 732 C VAL A 49 4.619 -2.988 2.240 1.00 0.00 C ATOM 733 O VAL A 49 4.880 -2.582 3.373 1.00 0.00 O ATOM 734 CB VAL A 49 5.853 -1.977 0.321 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.743 -1.120 -0.931 1.00 0.00 C ATOM 736 CG2 VAL A 49 6.955 -1.462 1.235 1.00 0.00 C ATOM 0 H VAL A 49 4.554 -0.391 2.389 1.00 0.00 H new ATOM 0 HA VAL A 49 3.731 -2.367 0.387 1.00 0.00 H new ATOM 0 HB VAL A 49 6.110 -2.991 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.704 -1.103 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.984 -1.538 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.462 -0.104 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.899 -1.439 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.707 -0.456 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.050 -2.122 2.098 1.00 0.00 H new ATOM 746 N PHE A 50 4.419 -4.272 1.960 1.00 0.00 N ATOM 747 CA PHE A 50 4.497 -5.300 2.990 1.00 0.00 C ATOM 748 C PHE A 50 5.902 -5.890 3.065 1.00 0.00 C ATOM 749 O PHE A 50 6.439 -6.371 2.066 1.00 0.00 O ATOM 750 CB PHE A 50 3.480 -6.409 2.712 1.00 0.00 C ATOM 751 CG PHE A 50 2.053 -5.955 2.823 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.390 -5.435 1.723 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.374 -6.049 4.027 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.077 -5.016 1.822 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.060 -5.631 4.133 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.589 -5.115 3.029 1.00 0.00 C ATOM 0 H PHE A 50 4.202 -4.625 1.028 1.00 0.00 H new ATOM 0 HA PHE A 50 4.265 -4.836 3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.650 -6.804 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.648 -7.228 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.905 -5.356 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.877 -6.453 4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.428 -4.612 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.458 -5.708 5.078 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.616 -4.789 3.108 1.00 0.00 H new ATOM 766 N ILE A 51 6.492 -5.850 4.255 1.00 0.00 N ATOM 767 CA ILE A 51 7.834 -6.380 4.460 1.00 0.00 C ATOM 768 C ILE A 51 7.871 -7.338 5.646 1.00 0.00 C ATOM 769 O ILE A 51 6.972 -7.336 6.488 1.00 0.00 O ATOM 770 CB ILE A 51 8.856 -5.252 4.694 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.423 -4.379 5.874 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.014 -4.411 3.436 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.488 -3.405 6.327 1.00 0.00 C ATOM 0 H ILE A 51 6.062 -5.456 5.092 1.00 0.00 H new ATOM 0 HA ILE A 51 8.102 -6.919 3.551 1.00 0.00 H new ATOM 0 HB ILE A 51 9.821 -5.699 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.528 -3.823 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.150 -5.022 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.740 -3.618 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.362 -5.042 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.053 -3.970 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.112 -2.819 7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.376 -3.955 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.744 -2.737 5.504 1.00 0.00 H new ATOM 785 N CYS A 52 8.917 -8.155 5.707 1.00 0.00 N ATOM 786 CA CYS A 52 9.073 -9.118 6.791 1.00 0.00 C ATOM 787 C CYS A 52 9.612 -8.441 8.047 1.00 0.00 C ATOM 788 O CYS A 52 9.945 -7.255 8.031 1.00 0.00 O ATOM 789 CB CYS A 52 10.012 -10.249 6.365 1.00 0.00 C ATOM 790 SG CYS A 52 11.709 -9.703 5.987 1.00 0.00 S ATOM 0 H CYS A 52 9.669 -8.170 5.019 1.00 0.00 H new ATOM 0 HA CYS A 52 8.092 -9.535 7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.050 -10.994 7.160 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.596 -10.741 5.486 1.00 0.00 H new ATOM 795 N ILE A 53 9.695 -9.202 9.133 1.00 0.00 N ATOM 796 CA ILE A 53 10.195 -8.676 10.398 1.00 0.00 C ATOM 797 C ILE A 53 11.670 -8.306 10.295 1.00 0.00 C ATOM 798 O ILE A 53 12.099 -7.273 10.809 1.00 0.00 O ATOM 799 CB ILE A 53 10.010 -9.690 11.542 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.562 -9.121 12.851 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.693 -11.005 11.199 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.706 -8.022 13.440 1.00 0.00 C ATOM 0 H ILE A 53 9.423 -10.185 9.163 1.00 0.00 H new ATOM 0 HA ILE A 53 9.613 -7.781 10.619 1.00 0.00 H new ATOM 0 HB ILE A 53 8.945 -9.880 11.672 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.654 -9.928 13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.566 -8.734 12.675 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.554 -11.712 12.017 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.257 -11.414 10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.758 -10.833 11.046 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.157 -7.666 14.366 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.634 -7.197 12.731 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.709 -8.410 13.648 1.00 0.00 H new ATOM 814 N ARG A 54 12.442 -9.156 9.625 1.00 0.00 N ATOM 815 CA ARG A 54 13.870 -8.918 9.453 1.00 0.00 C ATOM 816 C ARG A 54 14.123 -7.547 8.833 1.00 0.00 C ATOM 817 O ARG A 54 14.836 -6.719 9.401 1.00 0.00 O ATOM 818 CB ARG A 54 14.488 -10.008 8.575 1.00 0.00 C ATOM 819 CG ARG A 54 16.008 -9.985 8.556 1.00 0.00 C ATOM 820 CD ARG A 54 16.538 -9.047 7.483 1.00 0.00 C ATOM 821 NE ARG A 54 16.251 -9.538 6.137 1.00 0.00 N ATOM 822 CZ ARG A 54 17.048 -10.367 5.472 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.174 -10.797 6.026 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.719 -10.769 4.251 1.00 0.00 N ATOM 0 H ARG A 54 12.102 -10.015 9.193 1.00 0.00 H new ATOM 0 HA ARG A 54 14.338 -8.944 10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.152 -10.982 8.930 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.118 -9.895 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.380 -9.671 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.386 -10.992 8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.093 -8.060 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.615 -8.929 7.604 1.00 0.00 H new ATOM 0 HE ARG A 54 15.392 -9.227 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.430 -10.491 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.784 -11.434 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.853 -10.441 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.332 -11.406 3.741 1.00 0.00 H new ATOM 838 N CYS A 55 13.534 -7.314 7.665 1.00 0.00 N ATOM 839 CA CYS A 55 13.695 -6.044 6.967 1.00 0.00 C ATOM 840 C CYS A 55 13.161 -4.889 7.809 1.00 0.00 C ATOM 841 O CYS A 55 13.795 -3.840 7.915 1.00 0.00 O ATOM 842 CB CYS A 55 12.972 -6.084 5.619 1.00 0.00 C ATOM 843 SG CYS A 55 13.760 -7.167 4.385 1.00 0.00 S ATOM 0 H CYS A 55 12.941 -7.988 7.182 1.00 0.00 H new ATOM 0 HA CYS A 55 14.760 -5.884 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.947 -6.418 5.778 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.918 -5.072 5.217 1.00 0.00 H new ATOM 848 N ALA A 56 11.991 -5.090 8.406 1.00 0.00 N ATOM 849 CA ALA A 56 11.372 -4.067 9.240 1.00 0.00 C ATOM 850 C ALA A 56 12.374 -3.491 10.235 1.00 0.00 C ATOM 851 O ALA A 56 12.514 -2.275 10.356 1.00 0.00 O ATOM 852 CB ALA A 56 10.168 -4.640 9.972 1.00 0.00 C ATOM 0 H ALA A 56 11.452 -5.953 8.328 1.00 0.00 H new ATOM 0 HA ALA A 56 11.037 -3.258 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.716 -3.865 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.437 -4.997 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.487 -5.469 10.604 1.00 0.00 H new ATOM 858 N GLY A 57 13.068 -4.374 10.947 1.00 0.00 N ATOM 859 CA GLY A 57 14.047 -3.933 11.924 1.00 0.00 C ATOM 860 C GLY A 57 15.011 -2.909 11.357 1.00 0.00 C ATOM 861 O GLY A 57 15.377 -1.950 12.037 1.00 0.00 O ATOM 0 H GLY A 57 12.970 -5.386 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.531 -3.505 12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.608 -4.794 12.286 1.00 0.00 H new ATOM 865 N ILE A 58 15.423 -3.113 10.111 1.00 0.00 N ATOM 866 CA ILE A 58 16.350 -2.200 9.454 1.00 0.00 C ATOM 867 C ILE A 58 15.672 -0.877 9.115 1.00 0.00 C ATOM 868 O ILE A 58 16.238 0.196 9.327 1.00 0.00 O ATOM 869 CB ILE A 58 16.927 -2.814 8.165 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.677 -4.109 8.481 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.845 -1.820 7.469 1.00 0.00 C ATOM 872 CD1 ILE A 58 16.812 -5.346 8.390 1.00 0.00 C ATOM 0 H ILE A 58 15.130 -3.903 9.536 1.00 0.00 H new ATOM 0 HA ILE A 58 17.164 -2.018 10.156 1.00 0.00 H new ATOM 0 HB ILE A 58 16.102 -3.050 7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.516 -4.211 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.095 -4.041 9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.245 -2.269 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.282 -0.922 7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.667 -1.556 8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.410 -6.226 8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.987 -5.266 9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.414 -5.438 7.379 1.00 0.00 H new ATOM 884 N HIS A 59 14.454 -0.961 8.588 1.00 0.00 N ATOM 885 CA HIS A 59 13.696 0.230 8.222 1.00 0.00 C ATOM 886 C HIS A 59 13.687 1.241 9.365 1.00 0.00 C ATOM 887 O HIS A 59 14.001 2.415 9.170 1.00 0.00 O ATOM 888 CB HIS A 59 12.263 -0.147 7.847 1.00 0.00 C ATOM 889 CG HIS A 59 12.085 -0.452 6.391 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.328 0.332 5.546 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.572 -1.461 5.632 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.356 -0.183 4.329 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.105 -1.271 4.355 1.00 0.00 N ATOM 0 H HIS A 59 13.972 -1.841 8.405 1.00 0.00 H new ATOM 0 HA HIS A 59 14.180 0.688 7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.960 -1.016 8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.597 0.671 8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.209 -2.266 5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.853 0.217 3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.304 -1.873 3.556 1.00 0.00 H new ATOM 901 N ARG A 60 13.323 0.777 10.556 1.00 0.00 N ATOM 902 CA ARG A 60 13.271 1.641 11.729 1.00 0.00 C ATOM 903 C ARG A 60 14.521 2.511 11.819 1.00 0.00 C ATOM 904 O ARG A 60 14.431 3.728 11.980 1.00 0.00 O ATOM 905 CB ARG A 60 13.128 0.802 13.000 1.00 0.00 C ATOM 906 CG ARG A 60 12.175 -0.373 12.851 1.00 0.00 C ATOM 907 CD ARG A 60 11.855 -1.005 14.196 1.00 0.00 C ATOM 908 NE ARG A 60 10.966 -2.156 14.063 1.00 0.00 N ATOM 909 CZ ARG A 60 10.907 -3.146 14.946 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.682 -3.125 16.022 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.072 -4.159 14.755 1.00 0.00 N ATOM 0 H ARG A 60 13.060 -0.192 10.734 1.00 0.00 H new ATOM 0 HA ARG A 60 12.402 2.292 11.632 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.110 0.428 13.290 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.778 1.442 13.810 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.253 -0.037 12.377 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.618 -1.121 12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.781 -1.316 14.680 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.391 -0.262 14.844 1.00 0.00 H new ATOM 0 HE ARG A 60 10.357 -2.202 13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.325 -2.347 16.172 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.635 -3.886 16.699 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.474 -4.178 13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.028 -4.919 15.434 1.00 0.00 H new ATOM 925 N ASN A 61 15.685 1.879 11.715 1.00 0.00 N ATOM 926 CA ASN A 61 16.953 2.596 11.786 1.00 0.00 C ATOM 927 C ASN A 61 16.968 3.772 10.815 1.00 0.00 C ATOM 928 O ASN A 61 17.289 4.900 11.193 1.00 0.00 O ATOM 929 CB ASN A 61 18.115 1.650 11.477 1.00 0.00 C ATOM 930 CG ASN A 61 17.928 0.281 12.101 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.296 0.145 13.149 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.479 -0.743 11.458 1.00 0.00 N ATOM 0 H ASN A 61 15.777 0.872 11.581 1.00 0.00 H new ATOM 0 HA ASN A 61 17.067 2.983 12.799 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.215 1.543 10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.044 2.089 11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.387 -1.688 11.830 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.994 -0.584 10.592 1.00 0.00 H new ATOM 939 N LEU A 62 16.619 3.502 9.562 1.00 0.00 N ATOM 940 CA LEU A 62 16.591 4.538 8.535 1.00 0.00 C ATOM 941 C LEU A 62 16.145 5.874 9.121 1.00 0.00 C ATOM 942 O LEU A 62 16.816 6.891 8.955 1.00 0.00 O ATOM 943 CB LEU A 62 15.656 4.130 7.396 1.00 0.00 C ATOM 944 CG LEU A 62 15.931 2.768 6.757 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.077 2.580 5.513 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.408 2.627 6.418 1.00 0.00 C ATOM 0 H LEU A 62 16.351 2.575 9.233 1.00 0.00 H new ATOM 0 HA LEU A 62 17.602 4.654 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.634 4.132 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.710 4.892 6.618 1.00 0.00 H new ATOM 0 HG LEU A 62 15.667 1.991 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.286 1.605 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.023 2.637 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.309 3.363 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.586 1.652 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.697 3.411 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.000 2.717 7.329 1.00 0.00 H new ATOM 958 N GLY A 63 15.007 5.861 9.810 1.00 0.00 N ATOM 959 CA GLY A 63 14.491 7.077 10.412 1.00 0.00 C ATOM 960 C GLY A 63 13.005 7.256 10.174 1.00 0.00 C ATOM 961 O GLY A 63 12.522 7.078 9.056 1.00 0.00 O ATOM 0 H GLY A 63 14.434 5.031 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.684 7.058 11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.027 7.935 10.006 1.00 0.00 H new ATOM 965 N VAL A 64 12.277 7.609 11.229 1.00 0.00 N ATOM 966 CA VAL A 64 10.836 7.812 11.130 1.00 0.00 C ATOM 967 C VAL A 64 10.485 8.677 9.924 1.00 0.00 C ATOM 968 O VAL A 64 9.417 8.526 9.329 1.00 0.00 O ATOM 969 CB VAL A 64 10.274 8.472 12.403 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.212 7.467 13.543 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.113 9.680 12.791 1.00 0.00 C ATOM 0 H VAL A 64 12.661 7.760 12.162 1.00 0.00 H new ATOM 0 HA VAL A 64 10.384 6.827 11.011 1.00 0.00 H new ATOM 0 HB VAL A 64 9.260 8.814 12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.812 7.952 14.434 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.565 6.636 13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.214 7.092 13.752 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.702 10.134 13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.139 9.365 12.979 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.100 10.408 11.980 1.00 0.00 H new ATOM 981 N HIS A 65 11.390 9.583 9.569 1.00 0.00 N ATOM 982 CA HIS A 65 11.176 10.472 8.432 1.00 0.00 C ATOM 983 C HIS A 65 11.298 9.711 7.116 1.00 0.00 C ATOM 984 O HIS A 65 10.640 10.046 6.131 1.00 0.00 O ATOM 985 CB HIS A 65 12.180 11.625 8.463 1.00 0.00 C ATOM 986 CG HIS A 65 13.609 11.174 8.479 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.209 10.614 9.587 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.556 11.202 7.513 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.465 10.319 9.303 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.701 10.665 8.050 1.00 0.00 N ATOM 0 H HIS A 65 12.278 9.721 10.051 1.00 0.00 H new ATOM 0 HA HIS A 65 10.167 10.877 8.504 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.018 12.261 7.593 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.991 12.237 9.345 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.435 11.577 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.178 9.871 9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.589 10.552 7.561 1.00 0.00 H new ATOM 998 N ILE A 66 12.144 8.686 7.107 1.00 0.00 N ATOM 999 CA ILE A 66 12.352 7.877 5.912 1.00 0.00 C ATOM 1000 C ILE A 66 11.305 6.774 5.806 1.00 0.00 C ATOM 1001 O ILE A 66 10.622 6.647 4.790 1.00 0.00 O ATOM 1002 CB ILE A 66 13.754 7.242 5.899 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.828 8.325 5.775 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.871 6.239 4.761 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.155 7.933 6.388 1.00 0.00 C ATOM 0 H ILE A 66 12.697 8.396 7.914 1.00 0.00 H new ATOM 0 HA ILE A 66 12.258 8.547 5.057 1.00 0.00 H new ATOM 0 HB ILE A 66 13.906 6.713 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.978 8.557 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.471 9.236 6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.868 5.799 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.127 5.453 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.702 6.746 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.868 8.748 6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.019 7.729 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.535 7.039 5.893 1.00 0.00 H new ATOM 1017 N SER A 67 11.182 5.978 6.864 1.00 0.00 N ATOM 1018 CA SER A 67 10.219 4.884 6.890 1.00 0.00 C ATOM 1019 C SER A 67 9.778 4.582 8.319 1.00 0.00 C ATOM 1020 O SER A 67 10.585 4.606 9.248 1.00 0.00 O ATOM 1021 CB SER A 67 10.824 3.630 6.255 1.00 0.00 C ATOM 1022 OG SER A 67 11.575 2.890 7.203 1.00 0.00 O ATOM 0 H SER A 67 11.738 6.071 7.714 1.00 0.00 H new ATOM 0 HA SER A 67 9.344 5.188 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.029 3.005 5.848 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.465 3.914 5.420 1.00 0.00 H new ATOM 0 HG SER A 67 12.369 3.402 7.463 1.00 0.00 H new ATOM 1028 N ARG A 68 8.490 4.298 8.486 1.00 0.00 N ATOM 1029 CA ARG A 68 7.940 3.993 9.801 1.00 0.00 C ATOM 1030 C ARG A 68 7.430 2.556 9.857 1.00 0.00 C ATOM 1031 O ARG A 68 6.482 2.195 9.159 1.00 0.00 O ATOM 1032 CB ARG A 68 6.805 4.961 10.140 1.00 0.00 C ATOM 1033 CG ARG A 68 7.284 6.360 10.491 1.00 0.00 C ATOM 1034 CD ARG A 68 6.157 7.208 11.060 1.00 0.00 C ATOM 1035 NE ARG A 68 6.579 8.584 11.310 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.741 9.614 11.347 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.444 9.425 11.153 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.202 10.837 11.580 1.00 0.00 N ATOM 0 H ARG A 68 7.809 4.273 7.727 1.00 0.00 H new ATOM 0 HA ARG A 68 8.737 4.107 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.124 5.021 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.235 4.560 10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.095 6.297 11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.689 6.841 9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.317 7.207 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.803 6.763 11.990 1.00 0.00 H new ATOM 0 HE ARG A 68 7.571 8.764 11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.086 8.487 10.975 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.803 10.218 11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.200 10.986 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.558 11.628 11.608 1.00 0.00 H new ATOM 1052 N VAL A 69 8.066 1.739 10.691 1.00 0.00 N ATOM 1053 CA VAL A 69 7.676 0.342 10.838 1.00 0.00 C ATOM 1054 C VAL A 69 6.628 0.176 11.932 1.00 0.00 C ATOM 1055 O VAL A 69 6.713 0.800 12.990 1.00 0.00 O ATOM 1056 CB VAL A 69 8.890 -0.547 11.167 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.469 -2.004 11.285 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.974 -0.381 10.112 1.00 0.00 C ATOM 0 H VAL A 69 8.853 2.021 11.275 1.00 0.00 H new ATOM 0 HA VAL A 69 7.253 0.029 9.883 1.00 0.00 H new ATOM 0 HB VAL A 69 9.298 -0.233 12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.340 -2.617 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.731 -2.106 12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.034 -2.335 10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.824 -1.016 10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.580 -0.667 9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.296 0.660 10.082 1.00 0.00 H new ATOM 1068 N LYS A 70 5.637 -0.670 11.671 1.00 0.00 N ATOM 1069 CA LYS A 70 4.571 -0.921 12.633 1.00 0.00 C ATOM 1070 C LYS A 70 3.763 -2.154 12.241 1.00 0.00 C ATOM 1071 O LYS A 70 3.393 -2.321 11.079 1.00 0.00 O ATOM 1072 CB LYS A 70 3.648 0.296 12.732 1.00 0.00 C ATOM 1073 CG LYS A 70 2.710 0.446 11.548 1.00 0.00 C ATOM 1074 CD LYS A 70 1.960 1.767 11.594 1.00 0.00 C ATOM 1075 CE LYS A 70 0.951 1.795 12.732 1.00 0.00 C ATOM 1076 NZ LYS A 70 -0.290 1.045 12.391 1.00 0.00 N ATOM 0 H LYS A 70 5.550 -1.194 10.800 1.00 0.00 H new ATOM 0 HA LYS A 70 5.029 -1.102 13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.058 0.220 13.645 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.256 1.196 12.819 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.280 0.382 10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.997 -0.378 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.670 2.586 11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.446 1.928 10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.401 1.365 13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.698 2.829 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.917 1.015 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.778 1.520 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.043 0.075 12.109 1.00 0.00 H new ATOM 1090 N SER A 71 3.491 -3.014 13.218 1.00 0.00 N ATOM 1091 CA SER A 71 2.728 -4.232 12.973 1.00 0.00 C ATOM 1092 C SER A 71 1.458 -3.929 12.185 1.00 0.00 C ATOM 1093 O SER A 71 0.888 -2.843 12.296 1.00 0.00 O ATOM 1094 CB SER A 71 2.371 -4.909 14.298 1.00 0.00 C ATOM 1095 OG SER A 71 3.517 -5.482 14.903 1.00 0.00 O ATOM 0 H SER A 71 3.788 -2.890 14.186 1.00 0.00 H new ATOM 0 HA SER A 71 3.347 -4.907 12.383 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.925 -4.179 14.974 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.622 -5.682 14.125 1.00 0.00 H new ATOM 0 HG SER A 71 4.324 -5.076 14.524 1.00 0.00 H new ATOM 1101 N VAL A 72 1.019 -4.898 11.387 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.185 -4.736 10.580 1.00 0.00 C ATOM 1103 C VAL A 72 -1.440 -4.819 11.442 1.00 0.00 C ATOM 1104 O VAL A 72 -2.252 -3.895 11.464 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.265 -5.804 9.473 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.385 -5.478 8.496 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.068 -5.920 8.748 1.00 0.00 C ATOM 0 H VAL A 72 1.479 -5.802 11.282 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.128 -3.749 10.120 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.487 -6.766 9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.426 -6.243 7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.336 -5.449 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.197 -4.507 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.994 -6.679 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.321 -4.961 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.845 -6.204 9.458 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.591 -5.932 12.151 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.748 -6.136 13.016 1.00 0.00 C ATOM 1119 C ASN A 73 -2.459 -5.654 14.434 1.00 0.00 C ATOM 1120 O ASN A 73 -3.135 -4.763 14.949 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.140 -7.615 13.038 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.447 -7.856 13.769 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.513 -7.443 13.312 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -4.370 -8.527 14.912 1.00 0.00 N ATOM 0 H ASN A 73 -0.927 -6.707 12.144 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.577 -5.553 12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.226 -7.980 12.015 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.348 -8.191 13.516 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.216 -8.719 15.449 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.465 -8.851 15.253 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.450 -6.249 15.061 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.069 -5.880 16.420 1.00 0.00 C ATOM 1133 C LEU A 74 -1.168 -4.372 16.623 1.00 0.00 C ATOM 1134 O LEU A 74 -1.664 -3.904 17.649 1.00 0.00 O ATOM 1135 CB LEU A 74 0.354 -6.354 16.719 1.00 0.00 C ATOM 1136 CG LEU A 74 0.610 -7.854 16.559 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.095 -8.157 16.675 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.180 -8.642 17.594 1.00 0.00 C ATOM 0 H LEU A 74 -0.881 -6.989 14.650 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.759 -6.367 17.109 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.040 -5.817 16.064 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.603 -6.070 17.742 1.00 0.00 H new ATOM 0 HG LEU A 74 0.275 -8.157 15.567 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.258 -9.228 16.559 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.638 -7.621 15.896 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.456 -7.839 17.653 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.014 -9.707 17.466 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.124 -8.336 18.595 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.245 -8.449 17.464 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.695 -3.615 15.639 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.733 -2.159 15.707 1.00 0.00 C ATOM 1152 C ASP A 75 -2.050 -1.623 15.155 1.00 0.00 C ATOM 1153 O ASP A 75 -2.712 -2.283 14.355 1.00 0.00 O ATOM 1154 CB ASP A 75 0.442 -1.560 14.932 1.00 0.00 C ATOM 1155 CG ASP A 75 0.922 -0.252 15.528 1.00 0.00 C ATOM 1156 OD1 ASP A 75 0.220 0.768 15.364 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.000 -0.247 16.158 1.00 0.00 O ATOM 0 H ASP A 75 -0.280 -3.986 14.784 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.654 -1.867 16.754 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.266 -2.274 14.918 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.145 -1.396 13.896 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.423 -0.424 15.589 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.662 0.200 15.139 1.00 0.00 C ATOM 1164 C GLN A 76 -3.433 1.011 13.867 1.00 0.00 C ATOM 1165 O GLN A 76 -2.397 1.657 13.711 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.233 1.099 16.236 1.00 0.00 C ATOM 1167 CG GLN A 76 -3.376 2.320 16.529 1.00 0.00 C ATOM 1168 CD GLN A 76 -2.250 2.023 17.499 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -1.074 2.177 17.169 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -2.604 1.595 18.705 1.00 0.00 N ATOM 0 H GLN A 76 -1.885 0.135 16.252 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.378 -0.591 14.919 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.230 1.427 15.943 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.345 0.516 17.150 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.957 2.697 15.596 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.005 3.111 16.939 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.591 1.481 18.937 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.889 1.380 19.400 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.405 0.971 12.963 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.308 1.702 11.705 1.00 0.00 C ATOM 1181 C TRP A 77 -5.542 2.570 11.484 1.00 0.00 C ATOM 1182 O TRP A 77 -6.605 2.313 12.051 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.138 0.729 10.537 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.841 -0.022 10.574 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.340 -0.741 11.621 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.881 -0.125 9.517 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.125 -1.285 11.278 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.822 -0.922 9.993 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.814 0.377 8.214 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.289 -1.227 9.211 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.710 0.075 7.440 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.329 -0.722 7.940 1.00 0.00 C ATOM 0 H TRP A 77 -5.269 0.441 13.077 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.434 2.351 11.757 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.963 0.016 10.544 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.203 1.282 9.600 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.826 -0.864 12.577 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.543 -1.865 11.883 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.611 0.990 7.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.091 -1.841 9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.647 0.460 6.433 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.178 -0.942 7.310 1.00 0.00 H new ATOM 1203 N THR A 78 -5.396 3.600 10.656 1.00 0.00 N ATOM 1204 CA THR A 78 -6.498 4.506 10.361 1.00 0.00 C ATOM 1205 C THR A 78 -6.770 4.572 8.862 1.00 0.00 C ATOM 1206 O THR A 78 -5.847 4.504 8.051 1.00 0.00 O ATOM 1207 CB THR A 78 -6.212 5.927 10.882 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.018 6.439 10.281 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.064 5.928 12.396 1.00 0.00 C ATOM 0 H THR A 78 -4.524 3.827 10.178 1.00 0.00 H new ATOM 0 HA THR A 78 -7.377 4.110 10.870 1.00 0.00 H new ATOM 0 HB THR A 78 -7.055 6.564 10.614 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.845 7.343 10.617 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.862 6.942 12.741 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.985 5.566 12.852 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.238 5.277 12.681 1.00 0.00 H new ATOM 1217 N ALA A 79 -8.042 4.706 8.502 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.434 4.785 7.100 1.00 0.00 C ATOM 1219 C ALA A 79 -7.391 5.535 6.279 1.00 0.00 C ATOM 1220 O ALA A 79 -7.040 5.119 5.175 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.794 5.455 6.969 1.00 0.00 C ATOM 0 H ALA A 79 -8.818 4.762 9.161 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.503 3.769 6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.074 5.507 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.539 4.876 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.744 6.463 7.382 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.900 6.643 6.825 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.898 7.452 6.141 1.00 0.00 C ATOM 1229 C GLU A 80 -4.749 6.583 5.637 1.00 0.00 C ATOM 1230 O GLU A 80 -4.505 6.497 4.434 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.359 8.536 7.077 1.00 0.00 C ATOM 1232 CG GLU A 80 -4.676 9.683 6.351 1.00 0.00 C ATOM 1233 CD GLU A 80 -4.515 10.912 7.224 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -3.949 10.784 8.330 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.955 12.002 6.802 1.00 0.00 O ATOM 0 H GLU A 80 -7.180 7.001 7.738 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.375 7.927 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.182 8.932 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.651 8.085 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.695 9.357 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.256 9.944 5.466 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.048 5.942 6.566 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.924 5.081 6.216 1.00 0.00 C ATOM 1244 C GLN A 81 -3.379 3.926 5.329 1.00 0.00 C ATOM 1245 O GLN A 81 -2.763 3.641 4.302 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.259 4.536 7.481 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.791 5.621 8.438 1.00 0.00 C ATOM 1248 CD GLN A 81 -0.903 5.082 9.542 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -0.318 4.005 9.415 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.798 5.829 10.635 1.00 0.00 N ATOM 0 H GLN A 81 -4.238 6.002 7.566 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.200 5.678 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.962 3.885 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.405 3.921 7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.248 6.383 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.659 6.109 8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.300 6.715 10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.215 5.517 11.412 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.459 3.267 5.732 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.996 2.144 4.973 1.00 0.00 C ATOM 1261 C ILE A 82 -5.009 2.447 3.479 1.00 0.00 C ATOM 1262 O ILE A 82 -4.420 1.717 2.683 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.425 1.790 5.426 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.422 1.337 6.888 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.011 0.708 4.532 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.448 0.216 7.171 1.00 0.00 C ATOM 0 H ILE A 82 -4.980 3.491 6.580 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.342 1.293 5.163 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.048 2.680 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.178 2.188 7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.426 1.013 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.021 0.469 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.043 1.065 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.389 -0.186 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.500 -0.053 8.226 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.704 -0.651 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.437 0.543 6.929 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.683 3.530 3.106 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.772 3.930 1.707 1.00 0.00 C ATOM 1280 C GLN A 83 -4.398 3.906 1.046 1.00 0.00 C ATOM 1281 O GLN A 83 -4.252 3.455 -0.091 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.382 5.328 1.592 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.856 5.672 0.189 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.136 4.953 -0.187 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -9.229 5.354 0.216 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.009 3.883 -0.964 1.00 0.00 N ATOM 0 H GLN A 83 -6.175 4.146 3.753 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.416 3.217 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.224 5.406 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.643 6.065 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.014 6.748 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.076 5.415 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.084 3.586 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.836 3.359 -1.249 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.393 4.395 1.764 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.029 4.430 1.246 1.00 0.00 C ATOM 1297 C CYS A 84 -1.606 3.057 0.735 1.00 0.00 C ATOM 1298 O CYS A 84 -1.273 2.897 -0.439 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.062 4.904 2.332 1.00 0.00 C ATOM 1300 SG CYS A 84 0.596 5.293 1.725 1.00 0.00 S ATOM 0 H CYS A 84 -3.496 4.773 2.706 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.001 5.132 0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.478 5.789 2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.985 4.132 3.097 1.00 0.00 H new ATOM 0 HG CYS A 84 1.340 5.687 2.716 1.00 0.00 H new ATOM 1306 N MET A 85 -1.620 2.070 1.624 1.00 0.00 N ATOM 1307 CA MET A 85 -1.237 0.710 1.262 1.00 0.00 C ATOM 1308 C MET A 85 -1.657 0.390 -0.169 1.00 0.00 C ATOM 1309 O MET A 85 -0.844 -0.052 -0.979 1.00 0.00 O ATOM 1310 CB MET A 85 -1.867 -0.294 2.228 1.00 0.00 C ATOM 1311 CG MET A 85 -1.211 -0.313 3.599 1.00 0.00 C ATOM 1312 SD MET A 85 0.572 -0.565 3.513 1.00 0.00 S ATOM 1313 CE MET A 85 0.649 -2.160 2.702 1.00 0.00 C ATOM 0 H MET A 85 -1.892 2.186 2.600 1.00 0.00 H new ATOM 0 HA MET A 85 -0.152 0.635 1.329 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.925 -0.059 2.344 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.808 -1.291 1.792 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.417 0.628 4.109 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.657 -1.105 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.159 -2.873 3.350 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.362 -2.513 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.197 -2.065 1.764 1.00 0.00 H new ATOM 1323 N GLN A 86 -2.932 0.616 -0.471 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.459 0.349 -1.805 1.00 0.00 C ATOM 1325 C GLN A 86 -2.824 1.277 -2.836 1.00 0.00 C ATOM 1326 O GLN A 86 -2.333 0.826 -3.871 1.00 0.00 O ATOM 1327 CB GLN A 86 -4.979 0.517 -1.818 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.703 -0.422 -0.867 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.848 0.156 0.527 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.686 1.025 0.767 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.029 -0.325 1.455 1.00 0.00 N ATOM 0 H GLN A 86 -3.618 0.983 0.189 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.212 -0.680 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.225 1.546 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.346 0.349 -2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.692 -0.647 -1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.160 -1.365 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.349 -1.045 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.080 0.026 2.411 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.838 2.573 -2.546 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.263 3.564 -3.449 1.00 0.00 C ATOM 1342 C ASP A 87 -0.883 3.126 -3.928 1.00 0.00 C ATOM 1343 O ASP A 87 -0.650 2.977 -5.127 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.168 4.923 -2.754 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.465 5.705 -2.831 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -3.692 6.378 -3.858 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.253 5.643 -1.864 1.00 0.00 O ATOM 0 H ASP A 87 -3.241 2.962 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.917 3.653 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.898 4.775 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.368 5.506 -3.210 1.00 0.00 H new ATOM 1352 N MET A 88 0.030 2.924 -2.983 1.00 0.00 N ATOM 1353 CA MET A 88 1.387 2.503 -3.310 1.00 0.00 C ATOM 1354 C MET A 88 1.451 0.995 -3.531 1.00 0.00 C ATOM 1355 O MET A 88 1.635 0.530 -4.655 1.00 0.00 O ATOM 1356 CB MET A 88 2.352 2.908 -2.194 1.00 0.00 C ATOM 1357 CG MET A 88 3.804 2.573 -2.495 1.00 0.00 C ATOM 1358 SD MET A 88 4.633 3.866 -3.440 1.00 0.00 S ATOM 1359 CE MET A 88 5.050 2.976 -4.937 1.00 0.00 C ATOM 0 H MET A 88 -0.146 3.045 -1.986 1.00 0.00 H new ATOM 0 HA MET A 88 1.682 3.000 -4.234 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.264 3.980 -2.020 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.057 2.410 -1.271 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.338 2.414 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.849 1.636 -3.051 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.134 2.905 -5.028 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.623 1.974 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.647 3.507 -5.800 1.00 0.00 H new ATOM 1369 N GLY A 89 1.298 0.236 -2.450 1.00 0.00 N ATOM 1370 CA GLY A 89 1.342 -1.211 -2.548 1.00 0.00 C ATOM 1371 C GLY A 89 2.647 -1.714 -3.132 1.00 0.00 C ATOM 1372 O GLY A 89 3.464 -0.928 -3.609 1.00 0.00 O ATOM 0 H GLY A 89 1.144 0.597 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.200 -1.643 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.514 -1.555 -3.167 1.00 0.00 H new ATOM 1376 N ASN A 90 2.844 -3.028 -3.092 1.00 0.00 N ATOM 1377 CA ASN A 90 4.061 -3.634 -3.620 1.00 0.00 C ATOM 1378 C ASN A 90 4.134 -3.477 -5.136 1.00 0.00 C ATOM 1379 O ASN A 90 5.188 -3.161 -5.689 1.00 0.00 O ATOM 1380 CB ASN A 90 4.121 -5.116 -3.246 1.00 0.00 C ATOM 1381 CG ASN A 90 4.067 -5.336 -1.746 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.345 -4.641 -1.031 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.832 -6.308 -1.263 1.00 0.00 N ATOM 0 H ASN A 90 2.177 -3.693 -2.700 1.00 0.00 H new ATOM 0 HA ASN A 90 4.914 -3.120 -3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.290 -5.641 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.039 -5.551 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.837 -6.504 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.415 -6.859 -1.893 1.00 0.00 H new ATOM 1390 N THR A 91 3.006 -3.701 -5.803 1.00 0.00 N ATOM 1391 CA THR A 91 2.941 -3.585 -7.254 1.00 0.00 C ATOM 1392 C THR A 91 3.771 -2.407 -7.750 1.00 0.00 C ATOM 1393 O THR A 91 4.803 -2.588 -8.397 1.00 0.00 O ATOM 1394 CB THR A 91 1.489 -3.416 -7.740 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.669 -4.463 -7.207 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.421 -3.436 -9.260 1.00 0.00 C ATOM 0 H THR A 91 2.125 -3.964 -5.361 1.00 0.00 H new ATOM 0 HA THR A 91 3.348 -4.510 -7.663 1.00 0.00 H new ATOM 0 HB THR A 91 1.121 -2.452 -7.388 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.253 -4.348 -7.519 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.386 -3.315 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.022 -2.621 -9.662 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.806 -4.387 -9.629 1.00 0.00 H new ATOM 1404 N LYS A 92 3.315 -1.197 -7.443 1.00 0.00 N ATOM 1405 CA LYS A 92 4.016 0.013 -7.855 1.00 0.00 C ATOM 1406 C LYS A 92 5.392 0.094 -7.201 1.00 0.00 C ATOM 1407 O LYS A 92 6.385 0.400 -7.860 1.00 0.00 O ATOM 1408 CB LYS A 92 3.194 1.252 -7.492 1.00 0.00 C ATOM 1409 CG LYS A 92 2.049 1.525 -8.452 1.00 0.00 C ATOM 1410 CD LYS A 92 1.261 2.758 -8.044 1.00 0.00 C ATOM 1411 CE LYS A 92 1.856 4.023 -8.643 1.00 0.00 C ATOM 1412 NZ LYS A 92 1.672 4.078 -10.120 1.00 0.00 N ATOM 0 H LYS A 92 2.462 -1.029 -6.910 1.00 0.00 H new ATOM 0 HA LYS A 92 4.148 -0.024 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.792 1.129 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.852 2.120 -7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.442 1.660 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.385 0.661 -8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.226 2.653 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.248 2.840 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.389 4.895 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.919 4.071 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.737 5.065 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.413 3.514 -10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.738 3.694 -10.368 1.00 0.00 H new ATOM 1426 N ALA A 93 5.443 -0.184 -5.903 1.00 0.00 N ATOM 1427 CA ALA A 93 6.697 -0.146 -5.162 1.00 0.00 C ATOM 1428 C ALA A 93 7.829 -0.776 -5.966 1.00 0.00 C ATOM 1429 O ALA A 93 8.954 -0.276 -5.969 1.00 0.00 O ATOM 1430 CB ALA A 93 6.541 -0.852 -3.823 1.00 0.00 C ATOM 0 H ALA A 93 4.630 -0.438 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 93 6.952 0.898 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.486 -0.816 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.767 -0.355 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.258 -1.891 -3.990 1.00 0.00 H new ATOM 1436 N ARG A 94 7.524 -1.877 -6.646 1.00 0.00 N ATOM 1437 CA ARG A 94 8.517 -2.576 -7.452 1.00 0.00 C ATOM 1438 C ARG A 94 8.873 -1.769 -8.697 1.00 0.00 C ATOM 1439 O ARG A 94 10.049 -1.575 -9.009 1.00 0.00 O ATOM 1440 CB ARG A 94 7.995 -3.956 -7.858 1.00 0.00 C ATOM 1441 CG ARG A 94 8.968 -4.746 -8.718 1.00 0.00 C ATOM 1442 CD ARG A 94 8.274 -5.896 -9.432 1.00 0.00 C ATOM 1443 NE ARG A 94 9.226 -6.879 -9.941 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.871 -7.957 -10.631 1.00 0.00 C ATOM 1445 NH1 ARG A 94 7.592 -8.189 -10.894 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.796 -8.805 -11.061 1.00 0.00 N ATOM 0 H ARG A 94 6.597 -2.304 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 94 9.417 -2.698 -6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.770 -4.529 -6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.058 -3.835 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.426 -4.084 -9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.773 -5.136 -8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.582 -6.384 -8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.681 -5.504 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 94 10.218 -6.730 -9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.878 -7.539 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.323 -9.018 -11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.781 -8.629 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.522 -9.633 -11.591 1.00 0.00 H new ATOM 1460 N LEU A 95 7.851 -1.301 -9.405 1.00 0.00 N ATOM 1461 CA LEU A 95 8.055 -0.515 -10.617 1.00 0.00 C ATOM 1462 C LEU A 95 8.756 0.802 -10.300 1.00 0.00 C ATOM 1463 O LEU A 95 9.313 1.451 -11.186 1.00 0.00 O ATOM 1464 CB LEU A 95 6.716 -0.241 -11.302 1.00 0.00 C ATOM 1465 CG LEU A 95 5.825 -1.459 -11.548 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.423 -1.025 -11.943 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.430 -2.354 -12.620 1.00 0.00 C ATOM 0 H LEU A 95 6.872 -1.452 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 95 8.690 -1.090 -11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.160 0.474 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.913 0.239 -12.260 1.00 0.00 H new ATOM 0 HG LEU A 95 5.758 -2.029 -10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.804 -1.906 -12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.989 -0.426 -11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.470 -0.432 -12.856 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.783 -3.216 -12.782 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.527 -1.793 -13.550 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.414 -2.695 -12.297 1.00 0.00 H new ATOM 1479 N LEU A 96 8.727 1.190 -9.030 1.00 0.00 N ATOM 1480 CA LEU A 96 9.362 2.429 -8.594 1.00 0.00 C ATOM 1481 C LEU A 96 10.738 2.155 -7.994 1.00 0.00 C ATOM 1482 O LEU A 96 11.761 2.544 -8.558 1.00 0.00 O ATOM 1483 CB LEU A 96 8.480 3.145 -7.569 1.00 0.00 C ATOM 1484 CG LEU A 96 8.677 4.657 -7.453 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.017 4.973 -6.807 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.575 5.314 -8.822 1.00 0.00 C ATOM 0 H LEU A 96 8.271 0.665 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 96 9.488 3.070 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.437 2.953 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.660 2.699 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 96 7.887 5.059 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.139 6.054 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.053 4.535 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.821 4.558 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.718 6.390 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.343 4.906 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.591 5.117 -9.248 1.00 0.00 H new ATOM 1498 N TYR A 97 10.754 1.481 -6.850 1.00 0.00 N ATOM 1499 CA TYR A 97 12.004 1.154 -6.173 1.00 0.00 C ATOM 1500 C TYR A 97 12.788 0.104 -6.955 1.00 0.00 C ATOM 1501 O TYR A 97 13.970 0.286 -7.244 1.00 0.00 O ATOM 1502 CB TYR A 97 11.724 0.648 -4.757 1.00 0.00 C ATOM 1503 CG TYR A 97 11.241 1.726 -3.813 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.141 2.532 -3.129 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.883 1.939 -3.607 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.704 3.518 -2.265 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.437 2.923 -2.747 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.351 3.709 -2.078 1.00 0.00 C ATOM 1509 OH TYR A 97 9.912 4.691 -1.219 1.00 0.00 O ATOM 0 H TYR A 97 9.916 1.150 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 97 12.605 2.062 -6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 97 10.976 -0.143 -4.804 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.633 0.203 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.201 2.386 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.164 1.324 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.418 4.135 -1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.378 3.076 -2.599 1.00 0.00 H new ATOM 0 HH TYR A 97 8.932 4.695 -1.201 1.00 0.00 H new ATOM 1519 N GLU A 98 12.119 -0.994 -7.293 1.00 0.00 N ATOM 1520 CA GLU A 98 12.753 -2.073 -8.041 1.00 0.00 C ATOM 1521 C GLU A 98 12.712 -1.793 -9.541 1.00 0.00 C ATOM 1522 O GLU A 98 12.561 -2.708 -10.350 1.00 0.00 O ATOM 1523 CB GLU A 98 12.063 -3.405 -7.741 1.00 0.00 C ATOM 1524 CG GLU A 98 12.072 -3.777 -6.268 1.00 0.00 C ATOM 1525 CD GLU A 98 13.321 -4.537 -5.866 1.00 0.00 C ATOM 1526 OE1 GLU A 98 14.395 -3.906 -5.768 1.00 0.00 O ATOM 1527 OE2 GLU A 98 13.225 -5.763 -5.648 1.00 0.00 O ATOM 0 H GLU A 98 11.140 -1.159 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 98 13.796 -2.133 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.031 -3.356 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.554 -4.195 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.994 -2.871 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.194 -4.384 -6.045 1.00 0.00 H new ATOM 1534 N ALA A 99 12.848 -0.522 -9.903 1.00 0.00 N ATOM 1535 CA ALA A 99 12.827 -0.121 -11.305 1.00 0.00 C ATOM 1536 C ALA A 99 14.241 0.100 -11.833 1.00 0.00 C ATOM 1537 O ALA A 99 14.593 -0.380 -12.909 1.00 0.00 O ATOM 1538 CB ALA A 99 11.993 1.140 -11.481 1.00 0.00 C ATOM 0 H ALA A 99 12.974 0.248 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 99 12.373 -0.927 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.986 1.428 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.972 0.950 -11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.423 1.946 -10.887 1.00 0.00 H new ATOM 1544 N ASN A 100 15.046 0.830 -11.068 1.00 0.00 N ATOM 1545 CA ASN A 100 16.422 1.116 -11.460 1.00 0.00 C ATOM 1546 C ASN A 100 17.358 -0.003 -11.013 1.00 0.00 C ATOM 1547 O ASN A 100 18.565 0.200 -10.878 1.00 0.00 O ATOM 1548 CB ASN A 100 16.879 2.448 -10.861 1.00 0.00 C ATOM 1549 CG ASN A 100 16.449 3.636 -11.700 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.935 3.832 -12.814 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.533 4.436 -11.167 1.00 0.00 N ATOM 0 H ASN A 100 14.770 1.234 -10.173 1.00 0.00 H new ATOM 0 HA ASN A 100 16.457 1.183 -12.547 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.471 2.550 -9.855 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.965 2.447 -10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.205 5.251 -11.684 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.158 4.235 -10.240 1.00 0.00 H new ATOM 1558 N LEU A 101 16.793 -1.184 -10.787 1.00 0.00 N ATOM 1559 CA LEU A 101 17.577 -2.337 -10.356 1.00 0.00 C ATOM 1560 C LEU A 101 18.675 -2.657 -11.366 1.00 0.00 C ATOM 1561 O LEU A 101 18.512 -2.479 -12.574 1.00 0.00 O ATOM 1562 CB LEU A 101 16.670 -3.554 -10.169 1.00 0.00 C ATOM 1563 CG LEU A 101 16.000 -3.687 -8.801 1.00 0.00 C ATOM 1564 CD1 LEU A 101 14.984 -4.819 -8.812 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.043 -3.916 -7.716 1.00 0.00 C ATOM 0 H LEU A 101 15.796 -1.369 -10.895 1.00 0.00 H new ATOM 0 HA LEU A 101 18.046 -2.091 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.891 -3.523 -10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.259 -4.453 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 101 15.475 -2.757 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.517 -4.899 -7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.220 -4.614 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.486 -5.756 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.548 -4.008 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.595 -4.831 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 101 17.733 -3.073 -7.691 1.00 0.00 H new ATOM 1577 N PRO A 102 19.819 -3.143 -10.863 1.00 0.00 N ATOM 1578 CA PRO A 102 20.965 -3.501 -11.704 1.00 0.00 C ATOM 1579 C PRO A 102 20.697 -4.740 -12.551 1.00 0.00 C ATOM 1580 O PRO A 102 20.108 -5.711 -12.077 1.00 0.00 O ATOM 1581 CB PRO A 102 22.077 -3.777 -10.689 1.00 0.00 C ATOM 1582 CG PRO A 102 21.363 -4.167 -9.441 1.00 0.00 C ATOM 1583 CD PRO A 102 20.082 -3.380 -9.433 1.00 0.00 C ATOM 0 HA PRO A 102 21.208 -2.715 -12.419 1.00 0.00 H new ATOM 0 HB2 PRO A 102 22.738 -4.573 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 102 22.697 -2.894 -10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 102 21.163 -5.238 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 102 21.965 -3.942 -8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.271 -3.936 -8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.188 -2.445 -8.883 1.00 0.00 H new ATOM 1591 N GLU A 103 21.135 -4.699 -13.806 1.00 0.00 N ATOM 1592 CA GLU A 103 20.941 -5.820 -14.718 1.00 0.00 C ATOM 1593 C GLU A 103 21.298 -7.141 -14.041 1.00 0.00 C ATOM 1594 O GLU A 103 20.655 -8.163 -14.275 1.00 0.00 O ATOM 1595 CB GLU A 103 21.791 -5.634 -15.977 1.00 0.00 C ATOM 1596 CG GLU A 103 23.250 -5.328 -15.687 1.00 0.00 C ATOM 1597 CD GLU A 103 24.154 -5.619 -16.869 1.00 0.00 C ATOM 1598 OE1 GLU A 103 24.331 -6.809 -17.203 1.00 0.00 O ATOM 1599 OE2 GLU A 103 24.684 -4.655 -17.461 1.00 0.00 O ATOM 0 H GLU A 103 21.626 -3.903 -14.213 1.00 0.00 H new ATOM 0 HA GLU A 103 19.888 -5.849 -14.999 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.732 -6.539 -16.582 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.370 -4.824 -16.573 1.00 0.00 H new ATOM 0 HG2 GLU A 103 23.349 -4.279 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 103 23.577 -5.917 -14.830 1.00 0.00 H new ATOM 1606 N ASN A 104 22.327 -7.109 -13.201 1.00 0.00 N ATOM 1607 CA ASN A 104 22.771 -8.303 -12.491 1.00 0.00 C ATOM 1608 C ASN A 104 22.289 -8.285 -11.043 1.00 0.00 C ATOM 1609 O ASN A 104 23.009 -8.697 -10.133 1.00 0.00 O ATOM 1610 CB ASN A 104 24.297 -8.409 -12.531 1.00 0.00 C ATOM 1611 CG ASN A 104 24.959 -7.648 -11.399 1.00 0.00 C ATOM 1612 OD1 ASN A 104 25.567 -8.242 -10.509 1.00 0.00 O ATOM 1613 ND2 ASN A 104 24.844 -6.325 -11.429 1.00 0.00 N ATOM 0 H ASN A 104 22.869 -6.270 -12.995 1.00 0.00 H new ATOM 0 HA ASN A 104 22.341 -9.172 -12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 104 24.587 -9.458 -12.478 1.00 0.00 H new ATOM 0 HB3 ASN A 104 24.660 -8.025 -13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 104 25.269 -5.759 -10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 104 24.330 -5.875 -12.187 1.00 0.00 H new ATOM 1620 N PHE A 105 21.067 -7.805 -10.838 1.00 0.00 N ATOM 1621 CA PHE A 105 20.489 -7.733 -9.501 1.00 0.00 C ATOM 1622 C PHE A 105 20.305 -9.128 -8.912 1.00 0.00 C ATOM 1623 O PHE A 105 19.978 -10.076 -9.626 1.00 0.00 O ATOM 1624 CB PHE A 105 19.145 -7.002 -9.542 1.00 0.00 C ATOM 1625 CG PHE A 105 18.324 -7.187 -8.298 1.00 0.00 C ATOM 1626 CD1 PHE A 105 18.760 -6.685 -7.083 1.00 0.00 C ATOM 1627 CD2 PHE A 105 17.116 -7.864 -8.345 1.00 0.00 C ATOM 1628 CE1 PHE A 105 18.007 -6.853 -5.937 1.00 0.00 C ATOM 1629 CE2 PHE A 105 16.358 -8.035 -7.202 1.00 0.00 C ATOM 1630 CZ PHE A 105 16.804 -7.530 -5.996 1.00 0.00 C ATOM 0 H PHE A 105 20.458 -7.460 -11.580 1.00 0.00 H new ATOM 0 HA PHE A 105 21.177 -7.177 -8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 105 19.324 -5.938 -9.695 1.00 0.00 H new ATOM 0 HB3 PHE A 105 18.574 -7.356 -10.400 1.00 0.00 H new ATOM 0 HD1 PHE A 105 19.700 -6.156 -7.031 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.763 -8.262 -9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.358 -6.456 -4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.417 -8.563 -7.252 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.214 -7.664 -5.102 1.00 0.00 H new ATOM 1640 N ARG A 106 20.517 -9.245 -7.605 1.00 0.00 N ATOM 1641 CA ARG A 106 20.376 -10.524 -6.920 1.00 0.00 C ATOM 1642 C ARG A 106 20.011 -10.317 -5.453 1.00 0.00 C ATOM 1643 O ARG A 106 20.849 -9.917 -4.645 1.00 0.00 O ATOM 1644 CB ARG A 106 21.673 -11.329 -7.025 1.00 0.00 C ATOM 1645 CG ARG A 106 21.507 -12.800 -6.679 1.00 0.00 C ATOM 1646 CD ARG A 106 22.754 -13.598 -7.025 1.00 0.00 C ATOM 1647 NE ARG A 106 22.838 -13.888 -8.454 1.00 0.00 N ATOM 1648 CZ ARG A 106 23.606 -14.844 -8.966 1.00 0.00 C ATOM 1649 NH1 ARG A 106 24.350 -15.599 -8.169 1.00 0.00 N ATOM 1650 NH2 ARG A 106 23.629 -15.047 -10.277 1.00 0.00 N ATOM 0 H ARG A 106 20.787 -8.470 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 106 19.572 -11.079 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.062 -11.245 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 106 22.418 -10.890 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.292 -12.903 -5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.652 -13.207 -7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 106 23.638 -13.041 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 106 22.753 -14.533 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 106 22.277 -13.326 -9.094 1.00 0.00 H new ATOM 0 HH11 ARG A 106 24.334 -15.447 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 106 24.939 -16.332 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 106 23.057 -14.469 -10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 106 24.219 -15.781 -10.669 1.00 0.00 H new ATOM 1664 N ARG A 107 18.755 -10.592 -5.117 1.00 0.00 N ATOM 1665 CA ARG A 107 18.278 -10.435 -3.748 1.00 0.00 C ATOM 1666 C ARG A 107 19.319 -10.931 -2.749 1.00 0.00 C ATOM 1667 O ARG A 107 19.711 -12.099 -2.752 1.00 0.00 O ATOM 1668 CB ARG A 107 16.965 -11.194 -3.552 1.00 0.00 C ATOM 1669 CG ARG A 107 15.737 -10.408 -3.981 1.00 0.00 C ATOM 1670 CD ARG A 107 14.460 -11.204 -3.757 1.00 0.00 C ATOM 1671 NE ARG A 107 14.104 -12.007 -4.924 1.00 0.00 N ATOM 1672 CZ ARG A 107 14.565 -13.234 -5.140 1.00 0.00 C ATOM 1673 NH1 ARG A 107 15.396 -13.795 -4.273 1.00 0.00 N ATOM 1674 NH2 ARG A 107 14.195 -13.902 -6.225 1.00 0.00 N ATOM 0 H ARG A 107 18.049 -10.925 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 107 18.106 -9.374 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.006 -12.125 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.864 -11.463 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.688 -9.474 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.822 -10.144 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.586 -11.856 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.643 -10.521 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 107 13.467 -11.604 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.683 -13.284 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.749 -14.737 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.556 -13.473 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 107 14.550 -14.844 -6.390 1.00 0.00 H new ATOM 1688 N PRO A 108 19.780 -10.025 -1.874 1.00 0.00 N ATOM 1689 CA PRO A 108 20.782 -10.348 -0.854 1.00 0.00 C ATOM 1690 C PRO A 108 20.227 -11.261 0.235 1.00 0.00 C ATOM 1691 O PRO A 108 19.192 -10.970 0.833 1.00 0.00 O ATOM 1692 CB PRO A 108 21.146 -8.981 -0.269 1.00 0.00 C ATOM 1693 CG PRO A 108 19.948 -8.131 -0.518 1.00 0.00 C ATOM 1694 CD PRO A 108 19.358 -8.616 -1.813 1.00 0.00 C ATOM 0 HA PRO A 108 21.631 -10.888 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.366 -9.052 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.032 -8.567 -0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.229 -8.222 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.223 -7.078 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.272 -8.521 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.733 -8.047 -2.664 1.00 0.00 H new ATOM 1702 N GLN A 109 20.923 -12.366 0.485 1.00 0.00 N ATOM 1703 CA GLN A 109 20.499 -13.321 1.501 1.00 0.00 C ATOM 1704 C GLN A 109 21.111 -12.983 2.856 1.00 0.00 C ATOM 1705 O GLN A 109 20.450 -13.081 3.891 1.00 0.00 O ATOM 1706 CB GLN A 109 20.892 -14.742 1.091 1.00 0.00 C ATOM 1707 CG GLN A 109 20.170 -15.238 -0.151 1.00 0.00 C ATOM 1708 CD GLN A 109 18.850 -15.911 0.169 1.00 0.00 C ATOM 1709 OE1 GLN A 109 18.747 -17.138 0.158 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.832 -15.110 0.458 1.00 0.00 N ATOM 0 H GLN A 109 21.782 -12.621 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 109 19.414 -13.262 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.967 -14.776 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.683 -15.421 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.991 -14.398 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.812 -15.940 -0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.962 -14.098 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.919 -15.506 0.683 1.00 0.00 H new ATOM 1719 N THR A 110 22.379 -12.583 2.844 1.00 0.00 N ATOM 1720 CA THR A 110 23.081 -12.231 4.071 1.00 0.00 C ATOM 1721 C THR A 110 22.520 -10.949 4.677 1.00 0.00 C ATOM 1722 O THR A 110 22.202 -10.000 3.961 1.00 0.00 O ATOM 1723 CB THR A 110 24.590 -12.050 3.823 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.803 -11.177 2.708 1.00 0.00 O ATOM 1725 CG2 THR A 110 25.260 -13.390 3.558 1.00 0.00 C ATOM 0 H THR A 110 22.941 -12.495 1.997 1.00 0.00 H new ATOM 0 HA THR A 110 22.931 -13.055 4.768 1.00 0.00 H new ATOM 0 HB THR A 110 25.032 -11.611 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.640 -11.418 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 110 26.325 -13.236 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 110 25.122 -14.042 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.813 -13.852 2.678 1.00 0.00 H new ATOM 1733 N ASP A 111 22.403 -10.928 6.000 1.00 0.00 N ATOM 1734 CA ASP A 111 21.882 -9.761 6.703 1.00 0.00 C ATOM 1735 C ASP A 111 22.748 -8.534 6.436 1.00 0.00 C ATOM 1736 O ASP A 111 22.289 -7.555 5.849 1.00 0.00 O ATOM 1737 CB ASP A 111 21.812 -10.034 8.207 1.00 0.00 C ATOM 1738 CG ASP A 111 21.350 -11.444 8.518 1.00 0.00 C ATOM 1739 OD1 ASP A 111 20.491 -11.965 7.776 1.00 0.00 O ATOM 1740 OD2 ASP A 111 21.847 -12.027 9.504 1.00 0.00 O ATOM 0 H ASP A 111 22.662 -11.706 6.607 1.00 0.00 H new ATOM 0 HA ASP A 111 20.877 -9.562 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 111 22.795 -9.871 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 111 21.131 -9.321 8.672 1.00 0.00 H new ATOM 1745 N GLN A 112 24.002 -8.596 6.871 1.00 0.00 N ATOM 1746 CA GLN A 112 24.932 -7.488 6.680 1.00 0.00 C ATOM 1747 C GLN A 112 24.712 -6.820 5.327 1.00 0.00 C ATOM 1748 O GLN A 112 24.946 -5.623 5.170 1.00 0.00 O ATOM 1749 CB GLN A 112 26.375 -7.982 6.790 1.00 0.00 C ATOM 1750 CG GLN A 112 26.906 -8.600 5.507 1.00 0.00 C ATOM 1751 CD GLN A 112 26.685 -10.098 5.446 1.00 0.00 C ATOM 1752 OE1 GLN A 112 26.195 -10.705 6.399 1.00 0.00 O ATOM 1753 NE2 GLN A 112 27.045 -10.705 4.321 1.00 0.00 N ATOM 0 H GLN A 112 24.398 -9.400 7.358 1.00 0.00 H new ATOM 0 HA GLN A 112 24.747 -6.752 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 112 27.016 -7.147 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.438 -8.718 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 112 26.419 -8.130 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.972 -8.390 5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 112 27.447 -10.164 3.556 1.00 0.00 H new ATOM 0 HE22 GLN A 112 26.919 -11.712 4.222 1.00 0.00 H new ATOM 1762 N ALA A 113 24.261 -7.603 4.353 1.00 0.00 N ATOM 1763 CA ALA A 113 24.007 -7.087 3.013 1.00 0.00 C ATOM 1764 C ALA A 113 22.610 -6.486 2.911 1.00 0.00 C ATOM 1765 O ALA A 113 22.440 -5.359 2.447 1.00 0.00 O ATOM 1766 CB ALA A 113 24.186 -8.190 1.980 1.00 0.00 C ATOM 0 H ALA A 113 24.064 -8.597 4.466 1.00 0.00 H new ATOM 0 HA ALA A 113 24.729 -6.296 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.993 -7.791 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.206 -8.571 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.487 -9.000 2.188 1.00 0.00 H new ATOM 1772 N VAL A 114 21.610 -7.246 3.348 1.00 0.00 N ATOM 1773 CA VAL A 114 20.227 -6.788 3.307 1.00 0.00 C ATOM 1774 C VAL A 114 20.095 -5.384 3.886 1.00 0.00 C ATOM 1775 O VAL A 114 19.613 -4.470 3.218 1.00 0.00 O ATOM 1776 CB VAL A 114 19.297 -7.740 4.081 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.875 -7.201 4.099 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.339 -9.135 3.476 1.00 0.00 C ATOM 0 H VAL A 114 21.733 -8.182 3.735 1.00 0.00 H new ATOM 0 HA VAL A 114 19.930 -6.775 2.258 1.00 0.00 H new ATOM 0 HB VAL A 114 19.649 -7.805 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.233 -7.888 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.862 -6.224 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.510 -7.104 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.676 -9.794 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 114 19.014 -9.091 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.357 -9.521 3.522 1.00 0.00 H new ATOM 1788 N GLU A 115 20.528 -5.221 5.133 1.00 0.00 N ATOM 1789 CA GLU A 115 20.458 -3.927 5.802 1.00 0.00 C ATOM 1790 C GLU A 115 20.826 -2.798 4.843 1.00 0.00 C ATOM 1791 O GLU A 115 20.114 -1.800 4.740 1.00 0.00 O ATOM 1792 CB GLU A 115 21.389 -3.905 7.016 1.00 0.00 C ATOM 1793 CG GLU A 115 20.789 -4.548 8.255 1.00 0.00 C ATOM 1794 CD GLU A 115 21.845 -5.066 9.212 1.00 0.00 C ATOM 1795 OE1 GLU A 115 22.647 -4.248 9.710 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.869 -6.289 9.463 1.00 0.00 O ATOM 0 H GLU A 115 20.930 -5.968 5.699 1.00 0.00 H new ATOM 0 HA GLU A 115 19.432 -3.775 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 115 22.315 -4.420 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 115 21.651 -2.872 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.162 -3.820 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.141 -5.371 7.955 1.00 0.00 H new ATOM 1803 N PHE A 116 21.944 -2.964 4.145 1.00 0.00 N ATOM 1804 CA PHE A 116 22.409 -1.959 3.196 1.00 0.00 C ATOM 1805 C PHE A 116 21.477 -1.877 1.990 1.00 0.00 C ATOM 1806 O PHE A 116 20.854 -0.844 1.742 1.00 0.00 O ATOM 1807 CB PHE A 116 23.831 -2.283 2.734 1.00 0.00 C ATOM 1808 CG PHE A 116 24.889 -1.872 3.717 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.998 -0.553 4.128 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.775 -2.806 4.232 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.971 -0.173 5.032 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.750 -2.431 5.138 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.847 -1.113 5.539 1.00 0.00 C ATOM 0 H PHE A 116 22.545 -3.785 4.218 1.00 0.00 H new ATOM 0 HA PHE A 116 22.409 -0.992 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.910 -3.355 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.018 -1.785 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.314 0.186 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.703 -3.838 3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.047 0.859 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.435 -3.168 5.531 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.606 -0.818 6.248 1.00 0.00 H new ATOM 1823 N PHE A 117 21.387 -2.973 1.244 1.00 0.00 N ATOM 1824 CA PHE A 117 20.533 -3.025 0.063 1.00 0.00 C ATOM 1825 C PHE A 117 19.279 -2.179 0.261 1.00 0.00 C ATOM 1826 O PHE A 117 18.907 -1.389 -0.607 1.00 0.00 O ATOM 1827 CB PHE A 117 20.141 -4.472 -0.245 1.00 0.00 C ATOM 1828 CG PHE A 117 18.902 -4.592 -1.085 1.00 0.00 C ATOM 1829 CD1 PHE A 117 18.862 -4.059 -2.364 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.778 -5.237 -0.597 1.00 0.00 C ATOM 1831 CE1 PHE A 117 17.722 -4.167 -3.139 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.636 -5.349 -1.368 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.608 -4.814 -2.641 1.00 0.00 C ATOM 0 H PHE A 117 21.895 -3.837 1.436 1.00 0.00 H new ATOM 0 HA PHE A 117 21.095 -2.620 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.968 -4.962 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.987 -5.006 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 117 19.731 -3.554 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.794 -5.658 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.703 -3.746 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.766 -5.855 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.717 -4.901 -3.245 1.00 0.00 H new ATOM 1843 N ILE A 118 18.631 -2.350 1.409 1.00 0.00 N ATOM 1844 CA ILE A 118 17.420 -1.602 1.721 1.00 0.00 C ATOM 1845 C ILE A 118 17.740 -0.144 2.033 1.00 0.00 C ATOM 1846 O ILE A 118 17.071 0.767 1.545 1.00 0.00 O ATOM 1847 CB ILE A 118 16.670 -2.219 2.917 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.285 -3.668 2.612 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.435 -1.396 3.249 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.917 -4.467 3.843 1.00 0.00 C ATOM 0 H ILE A 118 18.925 -3.000 2.138 1.00 0.00 H new ATOM 0 HA ILE A 118 16.782 -1.651 0.838 1.00 0.00 H new ATOM 0 HB ILE A 118 17.330 -2.213 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.443 -3.674 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 118 17.117 -4.158 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.916 -1.844 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.733 -0.379 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.770 -1.374 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.655 -5.484 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.765 -4.492 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.065 -4.001 4.338 1.00 0.00 H new ATOM 1862 N ARG A 119 18.767 0.069 2.849 1.00 0.00 N ATOM 1863 CA ARG A 119 19.176 1.417 3.226 1.00 0.00 C ATOM 1864 C ARG A 119 19.529 2.243 1.993 1.00 0.00 C ATOM 1865 O ARG A 119 18.940 3.297 1.750 1.00 0.00 O ATOM 1866 CB ARG A 119 20.374 1.362 4.176 1.00 0.00 C ATOM 1867 CG ARG A 119 19.984 1.301 5.644 1.00 0.00 C ATOM 1868 CD ARG A 119 21.057 0.618 6.477 1.00 0.00 C ATOM 1869 NE ARG A 119 20.800 0.742 7.910 1.00 0.00 N ATOM 1870 CZ ARG A 119 21.626 0.289 8.846 1.00 0.00 C ATOM 1871 NH1 ARG A 119 22.755 -0.315 8.504 1.00 0.00 N ATOM 1872 NH2 ARG A 119 21.322 0.440 10.129 1.00 0.00 N ATOM 0 H ARG A 119 19.331 -0.674 3.262 1.00 0.00 H new ATOM 0 HA ARG A 119 18.339 1.895 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.980 0.489 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.999 2.240 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.818 2.311 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.042 0.763 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.108 -0.437 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 119 22.029 1.054 6.244 1.00 0.00 H new ATOM 0 HE ARG A 119 19.939 1.201 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.992 -0.433 7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.387 -0.662 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.454 0.904 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 119 21.956 0.092 10.848 1.00 0.00 H new ATOM 1886 N ASP A 120 20.493 1.758 1.218 1.00 0.00 N ATOM 1887 CA ASP A 120 20.924 2.451 0.010 1.00 0.00 C ATOM 1888 C ASP A 120 19.796 2.508 -1.016 1.00 0.00 C ATOM 1889 O ASP A 120 19.820 3.324 -1.937 1.00 0.00 O ATOM 1890 CB ASP A 120 22.144 1.755 -0.595 1.00 0.00 C ATOM 1891 CG ASP A 120 23.279 1.608 0.400 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.318 2.389 1.374 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.128 0.713 0.204 1.00 0.00 O ATOM 0 H ASP A 120 20.991 0.888 1.405 1.00 0.00 H new ATOM 0 HA ASP A 120 21.195 3.471 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.853 0.769 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.492 2.323 -1.458 1.00 0.00 H new ATOM 1898 N LYS A 121 18.808 1.635 -0.850 1.00 0.00 N ATOM 1899 CA LYS A 121 17.669 1.585 -1.760 1.00 0.00 C ATOM 1900 C LYS A 121 16.648 2.663 -1.413 1.00 0.00 C ATOM 1901 O LYS A 121 16.157 3.373 -2.292 1.00 0.00 O ATOM 1902 CB LYS A 121 17.009 0.206 -1.708 1.00 0.00 C ATOM 1903 CG LYS A 121 15.593 0.188 -2.258 1.00 0.00 C ATOM 1904 CD LYS A 121 14.938 -1.169 -2.068 1.00 0.00 C ATOM 1905 CE LYS A 121 15.053 -2.024 -3.321 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.868 -2.909 -3.500 1.00 0.00 N ATOM 0 H LYS A 121 18.773 0.952 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 121 18.035 1.768 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.618 -0.500 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.993 -0.141 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.998 0.953 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.610 0.439 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.405 -1.686 -1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.887 -1.034 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.159 -1.378 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.955 -2.633 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.128 -3.721 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.546 -3.250 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.102 -2.375 -3.957 1.00 0.00 H new ATOM 1920 N TYR A 122 16.333 2.782 -0.128 1.00 0.00 N ATOM 1921 CA TYR A 122 15.369 3.773 0.335 1.00 0.00 C ATOM 1922 C TYR A 122 16.078 4.989 0.924 1.00 0.00 C ATOM 1923 O TYR A 122 15.813 6.125 0.533 1.00 0.00 O ATOM 1924 CB TYR A 122 14.435 3.159 1.378 1.00 0.00 C ATOM 1925 CG TYR A 122 13.521 2.092 0.818 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.919 0.761 0.775 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.260 2.414 0.332 1.00 0.00 C ATOM 1928 CE1 TYR A 122 13.088 -0.217 0.264 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.422 1.442 -0.179 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.840 0.128 -0.211 1.00 0.00 C ATOM 1931 OH TYR A 122 11.009 -0.842 -0.721 1.00 0.00 O ATOM 0 H TYR A 122 16.732 2.204 0.612 1.00 0.00 H new ATOM 0 HA TYR A 122 14.781 4.098 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.033 2.728 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.829 3.949 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.895 0.487 1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.929 3.442 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.414 -1.246 0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.444 1.710 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 122 10.168 -0.432 -1.011 1.00 0.00 H new ATOM 1941 N GLU A 123 16.981 4.740 1.867 1.00 0.00 N ATOM 1942 CA GLU A 123 17.728 5.814 2.511 1.00 0.00 C ATOM 1943 C GLU A 123 18.427 6.688 1.474 1.00 0.00 C ATOM 1944 O GLU A 123 18.117 7.872 1.333 1.00 0.00 O ATOM 1945 CB GLU A 123 18.758 5.236 3.484 1.00 0.00 C ATOM 1946 CG GLU A 123 19.109 6.174 4.627 1.00 0.00 C ATOM 1947 CD GLU A 123 20.451 5.852 5.255 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.458 5.819 4.516 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.495 5.634 6.483 1.00 0.00 O ATOM 0 H GLU A 123 17.213 3.805 2.202 1.00 0.00 H new ATOM 0 HA GLU A 123 17.022 6.432 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.373 4.303 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.667 4.991 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 123 19.121 7.200 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.332 6.118 5.390 1.00 0.00 H new ATOM 1956 N LYS A 124 19.371 6.097 0.750 1.00 0.00 N ATOM 1957 CA LYS A 124 20.115 6.820 -0.275 1.00 0.00 C ATOM 1958 C LYS A 124 19.273 6.998 -1.534 1.00 0.00 C ATOM 1959 O LYS A 124 19.548 7.868 -2.361 1.00 0.00 O ATOM 1960 CB LYS A 124 21.409 6.077 -0.615 1.00 0.00 C ATOM 1961 CG LYS A 124 22.400 6.024 0.535 1.00 0.00 C ATOM 1962 CD LYS A 124 23.667 5.282 0.146 1.00 0.00 C ATOM 1963 CE LYS A 124 24.485 6.069 -0.867 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.040 7.320 -0.279 1.00 0.00 N ATOM 0 H LYS A 124 19.639 5.118 0.854 1.00 0.00 H new ATOM 0 HA LYS A 124 20.362 7.806 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 124 21.164 5.060 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.882 6.561 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.652 7.038 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.938 5.533 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 124 24.269 5.096 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.407 4.309 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 124 25.301 5.448 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.860 6.317 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.797 7.686 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.285 8.031 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.426 7.118 0.665 1.00 0.00 H new ATOM 1978 N LYS A 125 18.244 6.169 -1.674 1.00 0.00 N ATOM 1979 CA LYS A 125 17.359 6.236 -2.831 1.00 0.00 C ATOM 1980 C LYS A 125 18.121 5.934 -4.117 1.00 0.00 C ATOM 1981 O LYS A 125 17.826 6.495 -5.172 1.00 0.00 O ATOM 1982 CB LYS A 125 16.709 7.618 -2.923 1.00 0.00 C ATOM 1983 CG LYS A 125 15.760 7.922 -1.776 1.00 0.00 C ATOM 1984 CD LYS A 125 14.535 7.024 -1.813 1.00 0.00 C ATOM 1985 CE LYS A 125 13.395 7.603 -0.989 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.431 7.125 0.421 1.00 0.00 N ATOM 0 H LYS A 125 18.002 5.442 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 125 16.581 5.483 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.491 8.377 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.164 7.692 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.280 7.790 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.449 8.965 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.210 6.893 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.795 6.036 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.452 8.691 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.443 7.327 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 13.172 7.905 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.757 6.342 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.390 6.794 0.651 1.00 0.00 H new ATOM 2000 N LYS A 126 19.102 5.043 -4.023 1.00 0.00 N ATOM 2001 CA LYS A 126 19.905 4.664 -5.179 1.00 0.00 C ATOM 2002 C LYS A 126 19.020 4.159 -6.315 1.00 0.00 C ATOM 2003 O LYS A 126 18.950 4.773 -7.380 1.00 0.00 O ATOM 2004 CB LYS A 126 20.918 3.585 -4.790 1.00 0.00 C ATOM 2005 CG LYS A 126 22.249 4.142 -4.314 1.00 0.00 C ATOM 2006 CD LYS A 126 23.227 3.033 -3.968 1.00 0.00 C ATOM 2007 CE LYS A 126 23.921 2.494 -5.209 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.038 1.571 -4.864 1.00 0.00 N ATOM 0 H LYS A 126 19.360 4.570 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 126 20.440 5.549 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.491 2.965 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.092 2.936 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.677 4.776 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.088 4.772 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.973 3.410 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.698 2.223 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.196 1.970 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.306 3.325 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.485 1.225 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.743 2.078 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.667 0.764 -4.322 1.00 0.00 H new ATOM 2022 N TYR A 127 18.346 3.039 -6.080 1.00 0.00 N ATOM 2023 CA TYR A 127 17.466 2.452 -7.084 1.00 0.00 C ATOM 2024 C TYR A 127 16.082 3.092 -7.036 1.00 0.00 C ATOM 2025 O TYR A 127 15.068 2.418 -7.219 1.00 0.00 O ATOM 2026 CB TYR A 127 17.351 0.942 -6.871 1.00 0.00 C ATOM 2027 CG TYR A 127 18.650 0.287 -6.460 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.013 0.199 -5.122 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.515 -0.242 -7.410 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.200 -0.398 -4.742 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.703 -0.841 -7.039 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.041 -0.917 -5.704 1.00 0.00 C ATOM 2033 OH TYR A 127 22.224 -1.513 -5.331 1.00 0.00 O ATOM 0 H TYR A 127 18.392 2.519 -5.204 1.00 0.00 H new ATOM 0 HA TYR A 127 17.899 2.641 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.598 0.748 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.996 0.480 -7.792 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.357 0.604 -4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.254 -0.184 -8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.468 -0.458 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.364 -1.248 -7.790 1.00 0.00 H new ATOM 0 HH TYR A 127 22.698 -1.827 -6.129 1.00 0.00 H new ATOM 2043 N TYR A 128 16.048 4.396 -6.789 1.00 0.00 N ATOM 2044 CA TYR A 128 14.789 5.128 -6.715 1.00 0.00 C ATOM 2045 C TYR A 128 14.514 5.873 -8.018 1.00 0.00 C ATOM 2046 O TYR A 128 15.303 6.719 -8.441 1.00 0.00 O ATOM 2047 CB TYR A 128 14.817 6.115 -5.547 1.00 0.00 C ATOM 2048 CG TYR A 128 13.477 6.754 -5.261 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.431 6.012 -4.726 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.256 8.100 -5.527 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.205 6.591 -4.464 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.033 8.688 -5.267 1.00 0.00 C ATOM 2053 CZ TYR A 128 11.011 7.929 -4.736 1.00 0.00 C ATOM 2054 OH TYR A 128 9.791 8.511 -4.476 1.00 0.00 O ATOM 0 H TYR A 128 16.878 4.969 -6.636 1.00 0.00 H new ATOM 0 HA TYR A 128 13.988 4.407 -6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.161 5.596 -4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.545 6.898 -5.761 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.579 4.964 -4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.054 8.697 -5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.403 5.999 -4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.878 9.736 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 128 9.821 9.459 -4.723 1.00 0.00 H new ATOM 2064 N ASP A 129 13.390 5.552 -8.648 1.00 0.00 N ATOM 2065 CA ASP A 129 13.008 6.191 -9.903 1.00 0.00 C ATOM 2066 C ASP A 129 12.090 7.382 -9.648 1.00 0.00 C ATOM 2067 O ASP A 129 10.904 7.216 -9.360 1.00 0.00 O ATOM 2068 CB ASP A 129 12.315 5.184 -10.822 1.00 0.00 C ATOM 2069 CG ASP A 129 12.262 5.656 -12.262 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.393 6.494 -12.579 1.00 0.00 O ATOM 2071 OD2 ASP A 129 13.089 5.186 -13.071 1.00 0.00 O ATOM 0 H ASP A 129 12.727 4.854 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 129 13.914 6.551 -10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.841 4.231 -10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.301 5.007 -10.463 1.00 0.00 H new ATOM 2076 N LYS A 130 12.645 8.584 -9.755 1.00 0.00 N ATOM 2077 CA LYS A 130 11.877 9.804 -9.538 1.00 0.00 C ATOM 2078 C LYS A 130 11.008 10.124 -10.749 1.00 0.00 C ATOM 2079 O LYS A 130 9.863 10.550 -10.608 1.00 0.00 O ATOM 2080 CB LYS A 130 12.816 10.977 -9.247 1.00 0.00 C ATOM 2081 CG LYS A 130 13.803 11.259 -10.367 1.00 0.00 C ATOM 2082 CD LYS A 130 14.756 12.384 -10.001 1.00 0.00 C ATOM 2083 CE LYS A 130 15.940 12.445 -10.954 1.00 0.00 C ATOM 2084 NZ LYS A 130 16.889 13.533 -10.591 1.00 0.00 N ATOM 0 H LYS A 130 13.625 8.740 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 130 11.226 9.645 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.220 11.872 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.369 10.770 -8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.372 10.356 -10.587 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.259 11.522 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.223 13.334 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 130 15.115 12.241 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.463 11.489 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.580 12.602 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 17.682 13.541 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 16.397 14.449 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 17.253 13.370 -9.630 1.00 0.00 H new ATOM 2098 N ASN A 131 11.560 9.914 -11.940 1.00 0.00 N ATOM 2099 CA ASN A 131 10.834 10.180 -13.177 1.00 0.00 C ATOM 2100 C ASN A 131 9.367 9.783 -13.042 1.00 0.00 C ATOM 2101 O ASN A 131 8.472 10.536 -13.424 1.00 0.00 O ATOM 2102 CB ASN A 131 11.475 9.421 -14.341 1.00 0.00 C ATOM 2103 CG ASN A 131 12.906 9.853 -14.595 1.00 0.00 C ATOM 2104 OD1 ASN A 131 13.195 11.044 -14.717 1.00 0.00 O ATOM 2105 ND2 ASN A 131 13.811 8.884 -14.675 1.00 0.00 N ATOM 0 H ASN A 131 12.507 9.561 -12.075 1.00 0.00 H new ATOM 0 HA ASN A 131 10.885 11.250 -13.377 1.00 0.00 H new ATOM 0 HB2 ASN A 131 11.453 8.352 -14.130 1.00 0.00 H new ATOM 0 HB3 ASN A 131 10.885 9.580 -15.244 1.00 0.00 H new ATOM 0 HD21 ASN A 131 14.790 9.114 -14.844 1.00 0.00 H new ATOM 0 HD22 ASN A 131 13.527 7.910 -14.568 1.00 0.00 H new ATOM 2112 N ALA A 132 9.129 8.594 -12.497 1.00 0.00 N ATOM 2113 CA ALA A 132 7.772 8.098 -12.309 1.00 0.00 C ATOM 2114 C ALA A 132 6.819 9.231 -11.944 1.00 0.00 C ATOM 2115 O ALA A 132 5.720 9.332 -12.491 1.00 0.00 O ATOM 2116 CB ALA A 132 7.748 7.019 -11.237 1.00 0.00 C ATOM 0 H ALA A 132 9.859 7.957 -12.178 1.00 0.00 H new ATOM 0 HA ALA A 132 7.436 7.665 -13.251 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.728 6.658 -11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.390 6.192 -11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 132 8.109 7.433 -10.296 1.00 0.00 H new ATOM 2122 N ILE A 133 7.245 10.081 -11.015 1.00 0.00 N ATOM 2123 CA ILE A 133 6.429 11.206 -10.578 1.00 0.00 C ATOM 2124 C ILE A 133 4.946 10.856 -10.613 1.00 0.00 C ATOM 2125 O ILE A 133 4.149 11.552 -11.243 1.00 0.00 O ATOM 2126 CB ILE A 133 6.673 12.451 -11.451 1.00 0.00 C ATOM 2127 CG1 ILE A 133 8.146 12.862 -11.392 1.00 0.00 C ATOM 2128 CG2 ILE A 133 5.780 13.597 -11.000 1.00 0.00 C ATOM 2129 CD1 ILE A 133 8.625 13.195 -9.997 1.00 0.00 C ATOM 0 H ILE A 133 8.151 10.011 -10.551 1.00 0.00 H new ATOM 0 HA ILE A 133 6.722 11.429 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 133 6.424 12.207 -12.484 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.757 12.053 -11.794 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.299 13.728 -12.036 1.00 0.00 H new ATOM 0 HG21 ILE A 133 5.964 14.470 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 133 4.735 13.300 -11.089 1.00 0.00 H new ATOM 0 HG23 ILE A 133 6.000 13.843 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 133 9.677 13.477 -10.031 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.039 14.024 -9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 133 8.504 12.324 -9.353 1.00 0.00 H new ATOM 2141 N ALA A 134 4.582 9.775 -9.932 1.00 0.00 N ATOM 2142 CA ALA A 134 3.193 9.335 -9.883 1.00 0.00 C ATOM 2143 C ALA A 134 2.449 9.995 -8.727 1.00 0.00 C ATOM 2144 O ALA A 134 3.031 10.759 -7.957 1.00 0.00 O ATOM 2145 CB ALA A 134 3.123 7.820 -9.762 1.00 0.00 C ATOM 0 H ALA A 134 5.229 9.188 -9.406 1.00 0.00 H new ATOM 0 HA ALA A 134 2.709 9.637 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.080 7.506 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.610 7.363 -10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.628 7.504 -8.849 1.00 0.00 H new ATOM 2151 N ILE A 135 1.159 9.695 -8.611 1.00 0.00 N ATOM 2152 CA ILE A 135 0.337 10.259 -7.548 1.00 0.00 C ATOM 2153 C ILE A 135 0.087 9.236 -6.445 1.00 0.00 C ATOM 2154 O ILE A 135 -0.491 8.177 -6.686 1.00 0.00 O ATOM 2155 CB ILE A 135 -1.017 10.756 -8.088 1.00 0.00 C ATOM 2156 CG1 ILE A 135 -2.090 10.661 -7.002 1.00 0.00 C ATOM 2157 CG2 ILE A 135 -1.425 9.954 -9.315 1.00 0.00 C ATOM 2158 CD1 ILE A 135 -1.778 11.483 -5.771 1.00 0.00 C ATOM 0 H ILE A 135 0.661 9.065 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 135 0.888 11.105 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.913 11.801 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -3.044 10.988 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -2.210 9.617 -6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -2.384 10.317 -9.685 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -0.669 10.068 -10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -1.514 8.901 -9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.581 11.368 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -0.840 11.141 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.687 12.533 -6.048 1.00 0.00 H new ATOM 2170 N SER A 136 0.525 9.562 -5.233 1.00 0.00 N ATOM 2171 CA SER A 136 0.350 8.671 -4.092 1.00 0.00 C ATOM 2172 C SER A 136 -0.769 9.167 -3.181 1.00 0.00 C ATOM 2173 O SER A 136 -1.799 8.512 -3.032 1.00 0.00 O ATOM 2174 CB SER A 136 1.655 8.559 -3.301 1.00 0.00 C ATOM 2175 OG SER A 136 1.731 7.322 -2.615 1.00 0.00 O ATOM 0 H SER A 136 1.003 10.436 -5.016 1.00 0.00 H new ATOM 0 HA SER A 136 0.077 7.686 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 136 2.504 8.656 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 136 1.722 9.379 -2.586 1.00 0.00 H new ATOM 0 HG SER A 136 2.656 7.160 -2.334 1.00 0.00 H new ATOM 2181 N GLY A 137 -0.557 10.331 -2.574 1.00 0.00 N ATOM 2182 CA GLY A 137 -1.555 10.897 -1.685 1.00 0.00 C ATOM 2183 C GLY A 137 -1.056 11.025 -0.260 1.00 0.00 C ATOM 2184 O GLY A 137 -0.363 11.979 0.094 1.00 0.00 O ATOM 0 H GLY A 137 0.288 10.892 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.850 11.880 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.447 10.271 -1.699 1.00 0.00 H new ATOM 2188 N PRO A 138 -1.412 10.047 0.586 1.00 0.00 N ATOM 2189 CA PRO A 138 -1.007 10.033 1.995 1.00 0.00 C ATOM 2190 C PRO A 138 0.485 9.772 2.167 1.00 0.00 C ATOM 2191 O PRO A 138 0.962 9.547 3.279 1.00 0.00 O ATOM 2192 CB PRO A 138 -1.823 8.881 2.587 1.00 0.00 C ATOM 2193 CG PRO A 138 -2.103 7.983 1.432 1.00 0.00 C ATOM 2194 CD PRO A 138 -2.236 8.880 0.233 1.00 0.00 C ATOM 0 HA PRO A 138 -1.185 10.993 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -1.266 8.361 3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -2.746 9.242 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -1.297 7.263 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -3.017 7.411 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -1.876 8.394 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -3.274 9.160 0.054 1.00 0.00 H new ATOM 2202 N SER A 139 1.219 9.805 1.059 1.00 0.00 N ATOM 2203 CA SER A 139 2.657 9.569 1.087 1.00 0.00 C ATOM 2204 C SER A 139 3.426 10.864 0.844 1.00 0.00 C ATOM 2205 O SER A 139 2.867 11.848 0.360 1.00 0.00 O ATOM 2206 CB SER A 139 3.045 8.527 0.035 1.00 0.00 C ATOM 2207 OG SER A 139 2.888 7.212 0.538 1.00 0.00 O ATOM 0 H SER A 139 0.841 9.993 0.131 1.00 0.00 H new ATOM 0 HA SER A 139 2.919 9.192 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 139 2.428 8.656 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 139 4.080 8.682 -0.270 1.00 0.00 H new ATOM 0 HG SER A 139 1.953 7.070 0.796 1.00 0.00 H new ATOM 2213 N SER A 140 4.711 10.855 1.183 1.00 0.00 N ATOM 2214 CA SER A 140 5.556 12.030 1.006 1.00 0.00 C ATOM 2215 C SER A 140 6.496 11.849 -0.182 1.00 0.00 C ATOM 2216 O SER A 140 7.682 12.163 -0.103 1.00 0.00 O ATOM 2217 CB SER A 140 6.367 12.297 2.276 1.00 0.00 C ATOM 2218 OG SER A 140 7.047 13.538 2.195 1.00 0.00 O ATOM 0 H SER A 140 5.190 10.047 1.582 1.00 0.00 H new ATOM 0 HA SER A 140 4.910 12.885 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 140 5.704 12.298 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 140 7.087 11.493 2.427 1.00 0.00 H new ATOM 0 HG SER A 140 7.594 13.559 1.382 1.00 0.00 H new ATOM 2224 N GLY A 141 5.954 11.339 -1.284 1.00 0.00 N ATOM 2225 CA GLY A 141 6.757 11.124 -2.474 1.00 0.00 C ATOM 2226 C GLY A 141 6.016 11.483 -3.746 1.00 0.00 C ATOM 2227 O GLY A 141 6.449 12.389 -4.457 1.00 0.00 O ATOM 0 H GLY A 141 4.974 11.071 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 141 7.667 11.720 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 141 7.063 10.079 -2.518 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.080 -8.719 3.941 1.00 0.00 ZN