USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 924 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 80 CYS SG : rot -42:sc= -3.21 USER MOD Set 1.2: A 95 CYS SG : rot -60:sc= -0.706 USER MOD Set 2.1: A 86 CYS SG : rot -170:sc= -0.11 USER MOD Set 2.2: A 90 LYS NZ :NH3+ 144:sc= -0.0484 (180deg=-0.0928) USER MOD Set 3.1: A 54 MET CE :methyl -116:sc= -3.72! (180deg=-4.88!) USER MOD Set 3.2: A 58 CYS SG : rot 26:sc= -4.56! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.846 USER MOD Single : A 3 SER OG : rot 34:sc= 0.441 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 174:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.192 (180deg=-0.193) USER MOD Single : A 27 ASN : amide:sc= -2.4 K(o=-2.4,f=-4.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 46:sc= 0.0159 USER MOD Single : A 43 GLN : amide:sc= -3.36! C(o=-3.4!,f=-7.4!) USER MOD Single : A 44 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -6.79! C(o=-6.8!,f=-12!) USER MOD Single : A 60 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.014) USER MOD Single : A 63 THR OG1 : rot 110:sc= -0.963 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 67 CYS SG : rot 40:sc= -0.0705 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.817 (180deg=-1.97) USER MOD Single : A 83 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.8!) USER MOD Single : A 91 THR OG1 : rot -16:sc= 0.693 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -159:sc= 0.266 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.29 K(o=-1.3,f=-9.9!) USER MOD Single : A 112 SER OG : rot -35:sc= 0.299 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -59:sc= 0.0636 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.830 -6.629 6.001 1.00 0.00 N ATOM 2 CA GLY A 1 -23.417 -7.648 5.055 1.00 0.00 C ATOM 3 C GLY A 1 -23.360 -7.129 3.632 1.00 0.00 C ATOM 4 O GLY A 1 -24.333 -6.568 3.129 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.853 -7.033 6.959 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.155 -5.838 5.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.778 -6.284 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.436 -8.027 5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.110 -8.488 5.105 1.00 0.00 H new ATOM 8 N SER A 2 -22.215 -7.314 2.982 1.00 0.00 N ATOM 9 CA SER A 2 -22.033 -6.855 1.610 1.00 0.00 C ATOM 10 C SER A 2 -20.773 -7.461 0.997 1.00 0.00 C ATOM 11 O SER A 2 -19.656 -7.134 1.398 1.00 0.00 O ATOM 12 CB SER A 2 -21.950 -5.328 1.567 1.00 0.00 C ATOM 13 OG SER A 2 -20.832 -4.857 2.298 1.00 0.00 O ATOM 0 H SER A 2 -21.400 -7.778 3.383 1.00 0.00 H new ATOM 0 HA SER A 2 -22.894 -7.182 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.879 -4.994 0.532 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.864 -4.899 1.978 1.00 0.00 H new ATOM 0 HG SER A 2 -20.083 -5.479 2.186 1.00 0.00 H new ATOM 19 N SER A 3 -20.963 -8.345 0.023 1.00 0.00 N ATOM 20 CA SER A 3 -19.843 -9.000 -0.643 1.00 0.00 C ATOM 21 C SER A 3 -20.252 -9.502 -2.024 1.00 0.00 C ATOM 22 O SER A 3 -21.326 -10.078 -2.196 1.00 0.00 O ATOM 23 CB SER A 3 -19.330 -10.166 0.204 1.00 0.00 C ATOM 24 OG SER A 3 -18.321 -9.737 1.103 1.00 0.00 O ATOM 0 H SER A 3 -21.881 -8.624 -0.322 1.00 0.00 H new ATOM 0 HA SER A 3 -19.044 -8.268 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.156 -10.605 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.934 -10.946 -0.447 1.00 0.00 H new ATOM 0 HG SER A 3 -18.512 -8.822 1.397 1.00 0.00 H new ATOM 30 N GLY A 4 -19.386 -9.279 -3.009 1.00 0.00 N ATOM 31 CA GLY A 4 -19.674 -9.715 -4.363 1.00 0.00 C ATOM 32 C GLY A 4 -18.720 -9.117 -5.378 1.00 0.00 C ATOM 33 O GLY A 4 -17.507 -9.111 -5.172 1.00 0.00 O ATOM 0 H GLY A 4 -18.491 -8.804 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.617 -10.802 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.696 -9.438 -4.621 1.00 0.00 H new ATOM 37 N SER A 5 -19.270 -8.615 -6.480 1.00 0.00 N ATOM 38 CA SER A 5 -18.459 -8.018 -7.534 1.00 0.00 C ATOM 39 C SER A 5 -18.113 -6.570 -7.200 1.00 0.00 C ATOM 40 O SER A 5 -18.156 -5.694 -8.064 1.00 0.00 O ATOM 41 CB SER A 5 -19.198 -8.081 -8.873 1.00 0.00 C ATOM 42 OG SER A 5 -20.364 -7.276 -8.850 1.00 0.00 O ATOM 0 H SER A 5 -20.273 -8.610 -6.665 1.00 0.00 H new ATOM 0 HA SER A 5 -17.532 -8.587 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.537 -7.747 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.469 -9.113 -9.094 1.00 0.00 H new ATOM 0 HG SER A 5 -20.817 -7.332 -9.717 1.00 0.00 H new ATOM 48 N SER A 6 -17.771 -6.327 -5.939 1.00 0.00 N ATOM 49 CA SER A 6 -17.421 -4.985 -5.487 1.00 0.00 C ATOM 50 C SER A 6 -16.258 -4.424 -6.300 1.00 0.00 C ATOM 51 O SER A 6 -15.102 -4.778 -6.075 1.00 0.00 O ATOM 52 CB SER A 6 -17.058 -5.003 -4.001 1.00 0.00 C ATOM 53 OG SER A 6 -18.097 -5.579 -3.229 1.00 0.00 O ATOM 0 H SER A 6 -17.729 -7.041 -5.212 1.00 0.00 H new ATOM 0 HA SER A 6 -18.288 -4.341 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.137 -5.567 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.867 -3.986 -3.658 1.00 0.00 H new ATOM 0 HG SER A 6 -17.803 -5.668 -2.299 1.00 0.00 H new ATOM 59 N GLY A 7 -16.575 -3.545 -7.246 1.00 0.00 N ATOM 60 CA GLY A 7 -15.547 -2.949 -8.078 1.00 0.00 C ATOM 61 C GLY A 7 -14.478 -2.246 -7.265 1.00 0.00 C ATOM 62 O GLY A 7 -14.786 -1.478 -6.353 1.00 0.00 O ATOM 0 H GLY A 7 -17.525 -3.235 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.084 -3.724 -8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.006 -2.236 -8.763 1.00 0.00 H new ATOM 66 N PHE A 8 -13.218 -2.509 -7.595 1.00 0.00 N ATOM 67 CA PHE A 8 -12.099 -1.898 -6.886 1.00 0.00 C ATOM 68 C PHE A 8 -11.700 -0.577 -7.537 1.00 0.00 C ATOM 69 O PHE A 8 -11.607 -0.477 -8.760 1.00 0.00 O ATOM 70 CB PHE A 8 -10.901 -2.850 -6.864 1.00 0.00 C ATOM 71 CG PHE A 8 -11.210 -4.188 -6.254 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.697 -4.278 -4.960 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.014 -5.355 -6.975 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.981 -5.508 -4.396 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.297 -6.587 -6.417 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.782 -6.663 -5.126 1.00 0.00 C ATOM 0 H PHE A 8 -12.946 -3.141 -8.348 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.415 -1.698 -5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.546 -2.998 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.087 -2.385 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.857 -3.377 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.636 -5.301 -7.985 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.358 -5.565 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.139 -7.489 -6.989 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.005 -7.625 -4.688 1.00 0.00 H new ATOM 86 N VAL A 9 -11.467 0.437 -6.709 1.00 0.00 N ATOM 87 CA VAL A 9 -11.078 1.753 -7.201 1.00 0.00 C ATOM 88 C VAL A 9 -9.858 1.660 -8.112 1.00 0.00 C ATOM 89 O VAL A 9 -9.915 2.032 -9.284 1.00 0.00 O ATOM 90 CB VAL A 9 -10.767 2.717 -6.041 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.389 4.090 -6.575 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.954 2.811 -5.095 1.00 0.00 C ATOM 0 H VAL A 9 -11.541 0.372 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.923 2.142 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.917 2.325 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.173 4.758 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.507 4.004 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.217 4.494 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.717 3.496 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.824 3.180 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.173 1.824 -4.687 1.00 0.00 H new ATOM 102 N LYS A 10 -8.755 1.160 -7.565 1.00 0.00 N ATOM 103 CA LYS A 10 -7.520 1.016 -8.327 1.00 0.00 C ATOM 104 C LYS A 10 -6.768 -0.244 -7.911 1.00 0.00 C ATOM 105 O LYS A 10 -6.875 -0.693 -6.770 1.00 0.00 O ATOM 106 CB LYS A 10 -6.629 2.244 -8.130 1.00 0.00 C ATOM 107 CG LYS A 10 -5.246 2.096 -8.741 1.00 0.00 C ATOM 108 CD LYS A 10 -4.318 3.215 -8.298 1.00 0.00 C ATOM 109 CE LYS A 10 -2.885 2.957 -8.737 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.723 3.097 -10.211 1.00 0.00 N ATOM 0 H LYS A 10 -8.691 0.848 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.781 0.930 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.120 3.113 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.526 2.441 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.821 1.134 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.325 2.097 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.663 4.161 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.355 3.312 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.219 3.655 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.587 1.954 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.733 2.913 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.340 2.413 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.983 4.062 -10.499 1.00 0.00 H new ATOM 124 N SER A 11 -6.007 -0.808 -8.843 1.00 0.00 N ATOM 125 CA SER A 11 -5.238 -2.017 -8.573 1.00 0.00 C ATOM 126 C SER A 11 -3.826 -1.901 -9.137 1.00 0.00 C ATOM 127 O SER A 11 -3.612 -1.297 -10.187 1.00 0.00 O ATOM 128 CB SER A 11 -5.940 -3.237 -9.173 1.00 0.00 C ATOM 129 OG SER A 11 -5.976 -3.160 -10.587 1.00 0.00 O ATOM 0 H SER A 11 -5.906 -0.447 -9.792 1.00 0.00 H new ATOM 0 HA SER A 11 -5.169 -2.140 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.421 -4.146 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.956 -3.304 -8.783 1.00 0.00 H new ATOM 0 HG SER A 11 -6.428 -3.952 -10.946 1.00 0.00 H new ATOM 135 N GLY A 12 -2.862 -2.484 -8.430 1.00 0.00 N ATOM 136 CA GLY A 12 -1.482 -2.435 -8.874 1.00 0.00 C ATOM 137 C GLY A 12 -0.553 -3.220 -7.970 1.00 0.00 C ATOM 138 O GLY A 12 -0.911 -3.554 -6.840 1.00 0.00 O ATOM 0 H GLY A 12 -3.013 -2.990 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.416 -2.829 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.153 -1.397 -8.914 1.00 0.00 H new ATOM 142 N TRP A 13 0.642 -3.518 -8.467 1.00 0.00 N ATOM 143 CA TRP A 13 1.624 -4.271 -7.696 1.00 0.00 C ATOM 144 C TRP A 13 2.394 -3.355 -6.752 1.00 0.00 C ATOM 145 O TRP A 13 2.783 -2.248 -7.125 1.00 0.00 O ATOM 146 CB TRP A 13 2.596 -4.991 -8.633 1.00 0.00 C ATOM 147 CG TRP A 13 2.045 -6.268 -9.192 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.700 -6.513 -10.491 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.776 -7.474 -8.469 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.232 -7.798 -10.619 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.270 -8.409 -9.393 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.916 -7.856 -7.132 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.902 -9.699 -9.020 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.550 -9.137 -6.764 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.049 -10.046 -7.705 1.00 0.00 C ATOM 0 H TRP A 13 0.954 -3.250 -9.400 1.00 0.00 H new ATOM 0 HA TRP A 13 1.090 -5.011 -7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.857 -4.325 -9.456 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.518 -5.207 -8.093 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.783 -5.801 -11.299 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.909 -8.228 -11.486 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.303 -7.163 -6.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.514 -10.401 -9.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.652 -9.443 -5.733 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.773 -11.040 -7.386 1.00 0.00 H new ATOM 166 N LEU A 14 2.611 -3.822 -5.527 1.00 0.00 N ATOM 167 CA LEU A 14 3.336 -3.043 -4.529 1.00 0.00 C ATOM 168 C LEU A 14 4.047 -3.958 -3.536 1.00 0.00 C ATOM 169 O LEU A 14 3.530 -5.013 -3.168 1.00 0.00 O ATOM 170 CB LEU A 14 2.377 -2.112 -3.785 1.00 0.00 C ATOM 171 CG LEU A 14 1.478 -1.237 -4.660 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.444 -0.516 -3.809 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.312 -0.239 -5.450 1.00 0.00 C ATOM 0 H LEU A 14 2.295 -4.736 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 14 4.086 -2.444 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.742 -2.718 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.964 -1.461 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 14 0.952 -1.880 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.187 0.102 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.174 -1.248 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.950 0.116 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.656 0.375 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.865 0.399 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.013 -0.776 -6.089 1.00 0.00 H new ATOM 185 N LEU A 15 5.233 -3.545 -3.104 1.00 0.00 N ATOM 186 CA LEU A 15 6.015 -4.326 -2.152 1.00 0.00 C ATOM 187 C LEU A 15 5.690 -3.918 -0.718 1.00 0.00 C ATOM 188 O LEU A 15 5.533 -2.735 -0.419 1.00 0.00 O ATOM 189 CB LEU A 15 7.510 -4.145 -2.419 1.00 0.00 C ATOM 190 CG LEU A 15 7.978 -4.446 -3.843 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.262 -3.693 -4.154 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.177 -5.943 -4.034 1.00 0.00 C ATOM 0 H LEU A 15 5.674 -2.674 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 15 5.754 -5.377 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.780 -3.117 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.062 -4.788 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 15 7.207 -4.110 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.579 -3.920 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.087 -2.621 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.041 -3.997 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.510 -6.139 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.929 -6.303 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.235 -6.461 -3.854 1.00 0.00 H new ATOM 204 N ARG A 16 5.594 -4.907 0.165 1.00 0.00 N ATOM 205 CA ARG A 16 5.289 -4.651 1.568 1.00 0.00 C ATOM 206 C ARG A 16 6.361 -5.250 2.474 1.00 0.00 C ATOM 207 O ARG A 16 6.761 -6.400 2.302 1.00 0.00 O ATOM 208 CB ARG A 16 3.920 -5.231 1.928 1.00 0.00 C ATOM 209 CG ARG A 16 3.429 -4.822 3.307 1.00 0.00 C ATOM 210 CD ARG A 16 2.087 -5.458 3.632 1.00 0.00 C ATOM 211 NE ARG A 16 2.146 -6.916 3.584 1.00 0.00 N ATOM 212 CZ ARG A 16 1.315 -7.708 4.252 1.00 0.00 C ATOM 213 NH1 ARG A 16 0.366 -7.185 5.016 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.432 -9.026 4.157 1.00 0.00 N ATOM 0 H ARG A 16 5.723 -5.892 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 16 5.270 -3.572 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.192 -4.911 1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.971 -6.319 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.163 -5.115 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.340 -3.737 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.766 -5.141 4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.337 -5.102 2.926 1.00 0.00 H new ATOM 0 HE ARG A 16 2.865 -7.350 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.273 -6.172 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.271 -7.796 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.161 -9.432 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.793 -9.633 4.671 1.00 0.00 H new ATOM 228 N GLN A 17 6.820 -4.460 3.440 1.00 0.00 N ATOM 229 CA GLN A 17 7.846 -4.911 4.372 1.00 0.00 C ATOM 230 C GLN A 17 7.234 -5.745 5.493 1.00 0.00 C ATOM 231 O GLN A 17 6.522 -5.223 6.351 1.00 0.00 O ATOM 232 CB GLN A 17 8.593 -3.713 4.961 1.00 0.00 C ATOM 233 CG GLN A 17 9.950 -4.070 5.546 1.00 0.00 C ATOM 234 CD GLN A 17 10.656 -2.874 6.153 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.835 -2.794 7.368 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.063 -1.935 5.306 1.00 0.00 N ATOM 0 H GLN A 17 6.497 -3.505 3.597 1.00 0.00 H new ATOM 0 HA GLN A 17 8.551 -5.535 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.728 -2.962 4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.979 -3.259 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.822 -4.838 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.577 -4.499 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.894 -2.042 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.545 -1.107 5.656 1.00 0.00 H new ATOM 245 N SER A 18 7.516 -7.044 5.478 1.00 0.00 N ATOM 246 CA SER A 18 6.989 -7.952 6.491 1.00 0.00 C ATOM 247 C SER A 18 7.838 -7.904 7.757 1.00 0.00 C ATOM 248 O SER A 18 9.010 -7.526 7.720 1.00 0.00 O ATOM 249 CB SER A 18 6.941 -9.382 5.949 1.00 0.00 C ATOM 250 OG SER A 18 6.559 -10.298 6.961 1.00 0.00 O ATOM 0 H SER A 18 8.106 -7.491 4.776 1.00 0.00 H new ATOM 0 HA SER A 18 5.977 -7.632 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.236 -9.437 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.919 -9.658 5.555 1.00 0.00 H new ATOM 0 HG SER A 18 6.534 -11.204 6.589 1.00 0.00 H new ATOM 256 N THR A 19 7.239 -8.290 8.880 1.00 0.00 N ATOM 257 CA THR A 19 7.938 -8.290 10.158 1.00 0.00 C ATOM 258 C THR A 19 8.792 -9.543 10.318 1.00 0.00 C ATOM 259 O THR A 19 9.998 -9.457 10.554 1.00 0.00 O ATOM 260 CB THR A 19 6.951 -8.202 11.338 1.00 0.00 C ATOM 261 OG1 THR A 19 6.045 -7.112 11.138 1.00 0.00 O ATOM 262 CG2 THR A 19 7.694 -8.017 12.652 1.00 0.00 C ATOM 0 H THR A 19 6.271 -8.607 8.929 1.00 0.00 H new ATOM 0 HA THR A 19 8.582 -7.411 10.166 1.00 0.00 H new ATOM 0 HB THR A 19 6.390 -9.136 11.385 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.420 -7.064 11.891 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.977 -7.957 13.470 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.361 -8.863 12.815 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.278 -7.097 12.614 1.00 0.00 H new ATOM 270 N ILE A 20 8.161 -10.704 10.186 1.00 0.00 N ATOM 271 CA ILE A 20 8.865 -11.974 10.314 1.00 0.00 C ATOM 272 C ILE A 20 9.924 -12.127 9.227 1.00 0.00 C ATOM 273 O ILE A 20 11.107 -12.307 9.519 1.00 0.00 O ATOM 274 CB ILE A 20 7.893 -13.167 10.239 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.856 -13.079 11.361 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.658 -14.479 10.319 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.818 -14.178 11.312 1.00 0.00 C ATOM 0 H ILE A 20 7.164 -10.792 9.991 1.00 0.00 H new ATOM 0 HA ILE A 20 9.348 -11.970 11.291 1.00 0.00 H new ATOM 0 HB ILE A 20 7.370 -13.132 9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.369 -13.117 12.322 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.354 -12.113 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.958 -15.312 10.265 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.361 -14.541 9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.204 -14.525 11.261 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.116 -14.053 12.136 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.279 -14.128 10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.310 -15.147 11.398 1.00 0.00 H new ATOM 289 N LEU A 21 9.492 -12.053 7.973 1.00 0.00 N ATOM 290 CA LEU A 21 10.404 -12.181 6.842 1.00 0.00 C ATOM 291 C LEU A 21 11.424 -11.047 6.832 1.00 0.00 C ATOM 292 O LEU A 21 12.595 -11.253 6.516 1.00 0.00 O ATOM 293 CB LEU A 21 9.620 -12.188 5.528 1.00 0.00 C ATOM 294 CG LEU A 21 9.122 -13.553 5.050 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.055 -14.091 5.991 1.00 0.00 C ATOM 296 CD2 LEU A 21 8.585 -13.457 3.630 1.00 0.00 C ATOM 0 H LEU A 21 8.517 -11.905 7.714 1.00 0.00 H new ATOM 0 HA LEU A 21 10.939 -13.125 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.760 -11.528 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.252 -11.761 4.749 1.00 0.00 H new ATOM 0 HG LEU A 21 9.963 -14.247 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.712 -15.063 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.473 -14.198 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.214 -13.399 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.235 -14.437 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.757 -12.748 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.377 -13.116 2.964 1.00 0.00 H new ATOM 308 N LYS A 22 10.970 -9.848 7.183 1.00 0.00 N ATOM 309 CA LYS A 22 11.843 -8.680 7.219 1.00 0.00 C ATOM 310 C LYS A 22 12.422 -8.391 5.838 1.00 0.00 C ATOM 311 O LYS A 22 13.621 -8.149 5.696 1.00 0.00 O ATOM 312 CB LYS A 22 12.977 -8.896 8.224 1.00 0.00 C ATOM 313 CG LYS A 22 12.620 -8.482 9.642 1.00 0.00 C ATOM 314 CD LYS A 22 13.844 -8.014 10.411 1.00 0.00 C ATOM 315 CE LYS A 22 13.705 -8.289 11.900 1.00 0.00 C ATOM 316 NZ LYS A 22 13.038 -7.164 12.612 1.00 0.00 N ATOM 0 H LYS A 22 10.003 -9.660 7.447 1.00 0.00 H new ATOM 0 HA LYS A 22 11.248 -7.822 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.258 -9.949 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.852 -8.332 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.880 -7.683 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.161 -9.322 10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.731 -8.519 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.990 -6.946 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.131 -9.204 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.691 -8.458 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.962 -7.390 13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.599 -6.296 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.087 -7.019 12.218 1.00 0.00 H new ATOM 330 N ARG A 23 11.563 -8.415 4.824 1.00 0.00 N ATOM 331 CA ARG A 23 11.990 -8.155 3.455 1.00 0.00 C ATOM 332 C ARG A 23 10.815 -7.690 2.598 1.00 0.00 C ATOM 333 O ARG A 23 9.657 -7.944 2.926 1.00 0.00 O ATOM 334 CB ARG A 23 12.614 -9.412 2.845 1.00 0.00 C ATOM 335 CG ARG A 23 11.593 -10.458 2.429 1.00 0.00 C ATOM 336 CD ARG A 23 12.260 -11.777 2.073 1.00 0.00 C ATOM 337 NE ARG A 23 12.901 -12.396 3.231 1.00 0.00 N ATOM 338 CZ ARG A 23 13.898 -13.269 3.140 1.00 0.00 C ATOM 339 NH1 ARG A 23 14.366 -13.623 1.951 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.429 -13.788 4.239 1.00 0.00 N ATOM 0 H ARG A 23 10.567 -8.612 4.925 1.00 0.00 H new ATOM 0 HA ARG A 23 12.737 -7.362 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.206 -9.128 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.301 -9.854 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.882 -10.616 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.025 -10.093 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.517 -12.460 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.003 -11.609 1.294 1.00 0.00 H new ATOM 0 HE ARG A 23 12.564 -12.144 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.960 -13.225 1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.132 -14.294 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.072 -13.517 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.195 -14.458 4.168 1.00 0.00 H new ATOM 354 N TRP A 24 11.124 -7.008 1.501 1.00 0.00 N ATOM 355 CA TRP A 24 10.094 -6.508 0.598 1.00 0.00 C ATOM 356 C TRP A 24 9.542 -7.630 -0.274 1.00 0.00 C ATOM 357 O TRP A 24 10.243 -8.163 -1.135 1.00 0.00 O ATOM 358 CB TRP A 24 10.658 -5.391 -0.282 1.00 0.00 C ATOM 359 CG TRP A 24 11.136 -4.204 0.498 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.403 -3.979 0.953 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.352 -3.081 0.915 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.455 -2.783 1.628 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.210 -2.212 1.618 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.010 -2.723 0.761 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.767 -1.011 2.166 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.572 -1.531 1.306 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.448 -0.686 2.001 1.00 0.00 C ATOM 0 H TRP A 24 12.078 -6.789 1.216 1.00 0.00 H new ATOM 0 HA TRP A 24 9.279 -6.109 1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.485 -5.786 -0.872 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.890 -5.069 -0.985 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.242 -4.643 0.804 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.286 -2.385 2.066 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.327 -3.366 0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.441 -0.359 2.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.536 -1.246 1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.075 0.239 2.414 1.00 0.00 H new ATOM 378 N LYS A 25 8.282 -7.985 -0.047 1.00 0.00 N ATOM 379 CA LYS A 25 7.635 -9.043 -0.813 1.00 0.00 C ATOM 380 C LYS A 25 6.507 -8.481 -1.672 1.00 0.00 C ATOM 381 O LYS A 25 5.650 -7.743 -1.186 1.00 0.00 O ATOM 382 CB LYS A 25 7.086 -10.119 0.127 1.00 0.00 C ATOM 383 CG LYS A 25 5.797 -9.718 0.824 1.00 0.00 C ATOM 384 CD LYS A 25 5.320 -10.798 1.780 1.00 0.00 C ATOM 385 CE LYS A 25 4.958 -12.077 1.041 1.00 0.00 C ATOM 386 NZ LYS A 25 4.462 -13.132 1.967 1.00 0.00 N ATOM 0 H LYS A 25 7.688 -7.555 0.662 1.00 0.00 H new ATOM 0 HA LYS A 25 8.381 -9.489 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.913 -11.032 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.839 -10.351 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.953 -8.789 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.025 -9.523 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.100 -11.008 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.452 -10.438 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.194 -11.861 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.832 -12.446 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.226 -13.987 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.200 -13.357 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.613 -12.790 2.460 1.00 0.00 H new ATOM 400 N LYS A 26 6.512 -8.835 -2.953 1.00 0.00 N ATOM 401 CA LYS A 26 5.488 -8.369 -3.880 1.00 0.00 C ATOM 402 C LYS A 26 4.100 -8.806 -3.424 1.00 0.00 C ATOM 403 O LYS A 26 3.911 -9.937 -2.978 1.00 0.00 O ATOM 404 CB LYS A 26 5.765 -8.903 -5.288 1.00 0.00 C ATOM 405 CG LYS A 26 5.069 -8.115 -6.385 1.00 0.00 C ATOM 406 CD LYS A 26 5.848 -8.167 -7.688 1.00 0.00 C ATOM 407 CE LYS A 26 5.394 -7.081 -8.651 1.00 0.00 C ATOM 408 NZ LYS A 26 6.023 -5.767 -8.342 1.00 0.00 N ATOM 0 H LYS A 26 7.215 -9.444 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 26 5.519 -7.280 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.840 -8.889 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.447 -9.944 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.067 -8.515 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.952 -7.078 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.912 -8.051 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.718 -9.145 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.644 -7.372 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.309 -6.984 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.511 -5.011 -8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.982 -5.595 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.016 -5.776 -8.652 1.00 0.00 H new ATOM 422 N ASN A 27 3.132 -7.902 -3.539 1.00 0.00 N ATOM 423 CA ASN A 27 1.761 -8.195 -3.138 1.00 0.00 C ATOM 424 C ASN A 27 0.766 -7.436 -4.010 1.00 0.00 C ATOM 425 O ASN A 27 1.096 -6.400 -4.588 1.00 0.00 O ATOM 426 CB ASN A 27 1.549 -7.832 -1.667 1.00 0.00 C ATOM 427 CG ASN A 27 2.452 -8.623 -0.740 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.260 -8.053 -0.007 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.319 -9.944 -0.770 1.00 0.00 N ATOM 0 H ASN A 27 3.272 -6.961 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 27 1.591 -9.264 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.734 -6.767 -1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.508 -8.013 -1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.900 -10.529 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.636 -10.374 -1.394 1.00 0.00 H new ATOM 436 N TRP A 28 -0.453 -7.957 -4.098 1.00 0.00 N ATOM 437 CA TRP A 28 -1.497 -7.327 -4.898 1.00 0.00 C ATOM 438 C TRP A 28 -2.382 -6.436 -4.034 1.00 0.00 C ATOM 439 O TRP A 28 -3.104 -6.919 -3.162 1.00 0.00 O ATOM 440 CB TRP A 28 -2.348 -8.392 -5.592 1.00 0.00 C ATOM 441 CG TRP A 28 -3.263 -7.832 -6.639 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.624 -7.936 -6.678 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.882 -7.083 -7.798 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.112 -7.296 -7.792 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.064 -6.764 -8.495 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.658 -6.649 -8.314 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.055 -6.034 -9.680 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.651 -5.924 -9.491 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.842 -5.621 -10.163 1.00 0.00 C ATOM 0 H TRP A 28 -0.742 -8.813 -3.626 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.016 -6.706 -5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.690 -9.130 -6.052 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.942 -8.917 -4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.228 -8.446 -5.942 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.096 -7.228 -8.053 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.734 -6.876 -7.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.972 -5.801 -10.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.710 -5.585 -9.900 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.803 -5.051 -11.079 1.00 0.00 H new ATOM 460 N PHE A 29 -2.322 -5.131 -4.282 1.00 0.00 N ATOM 461 CA PHE A 29 -3.118 -4.172 -3.526 1.00 0.00 C ATOM 462 C PHE A 29 -4.340 -3.728 -4.325 1.00 0.00 C ATOM 463 O PHE A 29 -4.322 -3.725 -5.556 1.00 0.00 O ATOM 464 CB PHE A 29 -2.270 -2.955 -3.152 1.00 0.00 C ATOM 465 CG PHE A 29 -1.300 -3.220 -2.036 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.120 -3.906 -2.274 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.569 -2.783 -0.749 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.775 -4.151 -1.250 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.677 -3.025 0.279 1.00 0.00 C ATOM 470 CZ PHE A 29 0.495 -3.711 0.029 1.00 0.00 C ATOM 0 H PHE A 29 -1.730 -4.714 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.460 -4.662 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.718 -2.623 -4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.930 -2.137 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.103 -4.253 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.485 -2.248 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.692 -4.686 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.897 -2.678 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.191 -3.903 0.832 1.00 0.00 H new ATOM 480 N ASP A 30 -5.400 -3.355 -3.617 1.00 0.00 N ATOM 481 CA ASP A 30 -6.631 -2.909 -4.259 1.00 0.00 C ATOM 482 C ASP A 30 -7.478 -2.084 -3.296 1.00 0.00 C ATOM 483 O ASP A 30 -7.781 -2.524 -2.185 1.00 0.00 O ATOM 484 CB ASP A 30 -7.432 -4.110 -4.763 1.00 0.00 C ATOM 485 CG ASP A 30 -6.712 -4.868 -5.860 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.857 -5.718 -5.533 1.00 0.00 O ATOM 487 OD2 ASP A 30 -7.004 -4.612 -7.047 1.00 0.00 O ATOM 0 H ASP A 30 -5.432 -3.353 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.362 -2.280 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.632 -4.785 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.398 -3.768 -5.135 1.00 0.00 H new ATOM 492 N LEU A 31 -7.857 -0.886 -3.727 1.00 0.00 N ATOM 493 CA LEU A 31 -8.669 0.002 -2.902 1.00 0.00 C ATOM 494 C LEU A 31 -10.150 -0.149 -3.234 1.00 0.00 C ATOM 495 O LEU A 31 -10.517 -0.382 -4.386 1.00 0.00 O ATOM 496 CB LEU A 31 -8.236 1.455 -3.104 1.00 0.00 C ATOM 497 CG LEU A 31 -8.744 2.457 -2.066 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.873 2.423 -0.820 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.781 3.861 -2.654 1.00 0.00 C ATOM 0 H LEU A 31 -7.615 -0.507 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.519 -0.274 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.147 1.491 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.572 1.780 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.758 2.175 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.250 3.142 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.897 1.423 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.847 2.679 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.145 4.561 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.778 4.152 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.447 3.877 -3.517 1.00 0.00 H new ATOM 511 N TRP A 32 -10.995 -0.014 -2.218 1.00 0.00 N ATOM 512 CA TRP A 32 -12.437 -0.134 -2.403 1.00 0.00 C ATOM 513 C TRP A 32 -13.093 1.240 -2.469 1.00 0.00 C ATOM 514 O TRP A 32 -12.493 2.244 -2.085 1.00 0.00 O ATOM 515 CB TRP A 32 -13.051 -0.952 -1.266 1.00 0.00 C ATOM 516 CG TRP A 32 -12.612 -2.385 -1.261 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.336 -2.852 -1.402 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.448 -3.538 -1.108 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.329 -4.225 -1.347 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.612 -4.670 -1.166 1.00 0.00 C ATOM 521 CE3 TRP A 32 -14.821 -3.723 -0.926 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.106 -5.966 -1.049 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.309 -5.010 -0.810 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.454 -6.118 -0.872 1.00 0.00 C ATOM 0 H TRP A 32 -10.707 0.178 -1.259 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.616 -0.647 -3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.784 -0.494 -0.313 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.137 -0.913 -1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.461 -2.233 -1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.502 -4.817 -1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.488 -2.875 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.448 -6.821 -1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.369 -5.165 -0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -14.867 -7.111 -0.778 1.00 0.00 H new ATOM 535 N SER A 33 -14.329 1.278 -2.958 1.00 0.00 N ATOM 536 CA SER A 33 -15.065 2.531 -3.078 1.00 0.00 C ATOM 537 C SER A 33 -15.318 3.146 -1.704 1.00 0.00 C ATOM 538 O SER A 33 -15.328 4.367 -1.550 1.00 0.00 O ATOM 539 CB SER A 33 -16.395 2.299 -3.798 1.00 0.00 C ATOM 540 OG SER A 33 -17.192 1.355 -3.105 1.00 0.00 O ATOM 0 H SER A 33 -14.841 0.456 -3.277 1.00 0.00 H new ATOM 0 HA SER A 33 -14.460 3.225 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.935 3.242 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.207 1.946 -4.812 1.00 0.00 H new ATOM 0 HG SER A 33 -18.037 1.226 -3.584 1.00 0.00 H new ATOM 546 N ASP A 34 -15.523 2.290 -0.709 1.00 0.00 N ATOM 547 CA ASP A 34 -15.775 2.746 0.653 1.00 0.00 C ATOM 548 C ASP A 34 -14.466 3.014 1.388 1.00 0.00 C ATOM 549 O ASP A 34 -14.440 3.115 2.614 1.00 0.00 O ATOM 550 CB ASP A 34 -16.601 1.710 1.416 1.00 0.00 C ATOM 551 CG ASP A 34 -17.835 1.275 0.651 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.875 1.957 0.767 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.762 0.252 -0.062 1.00 0.00 O ATOM 0 H ASP A 34 -15.520 1.276 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.337 3.678 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.981 0.838 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.901 2.126 2.378 1.00 0.00 H new ATOM 558 N GLY A 35 -13.379 3.126 0.629 1.00 0.00 N ATOM 559 CA GLY A 35 -12.081 3.380 1.226 1.00 0.00 C ATOM 560 C GLY A 35 -11.369 2.103 1.629 1.00 0.00 C ATOM 561 O GLY A 35 -10.156 1.981 1.460 1.00 0.00 O ATOM 0 H GLY A 35 -13.375 3.045 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.461 3.931 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.206 4.015 2.103 1.00 0.00 H new ATOM 565 N HIS A 36 -12.125 1.150 2.166 1.00 0.00 N ATOM 566 CA HIS A 36 -11.558 -0.123 2.596 1.00 0.00 C ATOM 567 C HIS A 36 -10.486 -0.598 1.619 1.00 0.00 C ATOM 568 O HIS A 36 -10.681 -0.565 0.404 1.00 0.00 O ATOM 569 CB HIS A 36 -12.657 -1.179 2.718 1.00 0.00 C ATOM 570 CG HIS A 36 -13.339 -1.183 4.051 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.571 -0.602 4.269 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.955 -1.703 5.241 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.914 -0.763 5.534 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.950 -1.428 6.146 1.00 0.00 N ATOM 0 H HIS A 36 -13.131 1.235 2.313 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.096 0.024 3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.401 -1.009 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.225 -2.163 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.037 -2.235 5.441 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.827 -0.411 5.991 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.946 -1.694 7.131 1.00 0.00 H new ATOM 583 N LEU A 37 -9.355 -1.038 2.159 1.00 0.00 N ATOM 584 CA LEU A 37 -8.251 -1.519 1.336 1.00 0.00 C ATOM 585 C LEU A 37 -7.926 -2.974 1.656 1.00 0.00 C ATOM 586 O LEU A 37 -7.754 -3.340 2.819 1.00 0.00 O ATOM 587 CB LEU A 37 -7.012 -0.649 1.550 1.00 0.00 C ATOM 588 CG LEU A 37 -5.698 -1.205 1.000 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.707 -1.189 -0.521 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.516 -0.409 1.536 1.00 0.00 C ATOM 0 H LEU A 37 -9.178 -1.072 3.163 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.556 -1.456 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.192 0.323 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.892 -0.480 2.620 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.596 -2.238 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.764 -1.588 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.531 -1.802 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.833 -0.165 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.589 -0.819 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.613 0.634 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.499 -0.472 2.624 1.00 0.00 H new ATOM 602 N ILE A 38 -7.843 -3.799 0.618 1.00 0.00 N ATOM 603 CA ILE A 38 -7.536 -5.214 0.790 1.00 0.00 C ATOM 604 C ILE A 38 -6.486 -5.674 -0.216 1.00 0.00 C ATOM 605 O ILE A 38 -6.646 -5.492 -1.423 1.00 0.00 O ATOM 606 CB ILE A 38 -8.796 -6.086 0.635 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.880 -5.633 1.615 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.455 -7.553 0.855 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.240 -6.229 1.329 1.00 0.00 C ATOM 0 H ILE A 38 -7.984 -3.512 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.145 -5.332 1.800 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.178 -5.970 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.579 -5.903 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.955 -4.546 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.355 -8.157 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.713 -7.868 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.052 -7.686 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.959 -5.864 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.562 -5.937 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.181 -7.316 1.388 1.00 0.00 H new ATOM 621 N TYR A 39 -5.413 -6.272 0.290 1.00 0.00 N ATOM 622 CA TYR A 39 -4.336 -6.759 -0.564 1.00 0.00 C ATOM 623 C TYR A 39 -4.206 -8.275 -0.467 1.00 0.00 C ATOM 624 O TYR A 39 -4.370 -8.856 0.607 1.00 0.00 O ATOM 625 CB TYR A 39 -3.012 -6.097 -0.177 1.00 0.00 C ATOM 626 CG TYR A 39 -2.944 -5.682 1.275 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.504 -4.486 1.704 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.319 -6.488 2.219 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.444 -4.103 3.030 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.255 -6.115 3.547 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.818 -4.921 3.948 1.00 0.00 C ATOM 632 OH TYR A 39 -2.756 -4.544 5.270 1.00 0.00 O ATOM 0 H TYR A 39 -5.266 -6.431 1.287 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.578 -6.499 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.195 -6.787 -0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.857 -5.219 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.995 -3.844 0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.876 -7.423 1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.884 -3.169 3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.767 -6.754 4.268 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.283 -5.231 5.784 1.00 0.00 H new ATOM 642 N TYR A 40 -3.911 -8.911 -1.595 1.00 0.00 N ATOM 643 CA TYR A 40 -3.760 -10.361 -1.639 1.00 0.00 C ATOM 644 C TYR A 40 -2.305 -10.750 -1.882 1.00 0.00 C ATOM 645 O TYR A 40 -1.531 -9.980 -2.449 1.00 0.00 O ATOM 646 CB TYR A 40 -4.649 -10.953 -2.734 1.00 0.00 C ATOM 647 CG TYR A 40 -6.016 -10.314 -2.817 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.170 -9.012 -3.277 1.00 0.00 C ATOM 649 CD2 TYR A 40 -7.155 -11.013 -2.435 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.418 -8.424 -3.353 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.407 -10.434 -2.509 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.533 -9.139 -2.968 1.00 0.00 C ATOM 653 OH TYR A 40 -9.778 -8.558 -3.044 1.00 0.00 O ATOM 0 H TYR A 40 -3.772 -8.445 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.067 -10.763 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.148 -10.844 -3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.767 -12.022 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.299 -8.450 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.060 -12.026 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.520 -7.410 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.282 -10.992 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.877 -8.109 -3.909 1.00 0.00 H new ATOM 663 N ASP A 41 -1.942 -11.952 -1.449 1.00 0.00 N ATOM 664 CA ASP A 41 -0.581 -12.447 -1.620 1.00 0.00 C ATOM 665 C ASP A 41 -0.092 -12.211 -3.046 1.00 0.00 C ATOM 666 O ASP A 41 1.066 -11.854 -3.264 1.00 0.00 O ATOM 667 CB ASP A 41 -0.511 -13.938 -1.284 1.00 0.00 C ATOM 668 CG ASP A 41 0.725 -14.603 -1.857 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.816 -14.002 -1.771 1.00 0.00 O ATOM 670 OD2 ASP A 41 0.601 -15.725 -2.390 1.00 0.00 O ATOM 0 H ASP A 41 -2.571 -12.602 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 41 0.067 -11.898 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.519 -14.064 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.400 -14.437 -1.670 1.00 0.00 H new ATOM 675 N ASP A 42 -0.981 -12.413 -4.012 1.00 0.00 N ATOM 676 CA ASP A 42 -0.640 -12.222 -5.417 1.00 0.00 C ATOM 677 C ASP A 42 -1.869 -12.402 -6.303 1.00 0.00 C ATOM 678 O ASP A 42 -2.952 -12.726 -5.818 1.00 0.00 O ATOM 679 CB ASP A 42 0.456 -13.203 -5.836 1.00 0.00 C ATOM 680 CG ASP A 42 0.415 -14.491 -5.038 1.00 0.00 C ATOM 681 OD1 ASP A 42 -0.666 -14.829 -4.511 1.00 0.00 O ATOM 682 OD2 ASP A 42 1.464 -15.162 -4.940 1.00 0.00 O ATOM 0 H ASP A 42 -1.943 -12.709 -3.848 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.271 -11.204 -5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.349 -13.432 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.430 -12.731 -5.709 1.00 0.00 H new ATOM 687 N GLN A 43 -1.690 -12.190 -7.603 1.00 0.00 N ATOM 688 CA GLN A 43 -2.785 -12.328 -8.556 1.00 0.00 C ATOM 689 C GLN A 43 -3.689 -13.498 -8.181 1.00 0.00 C ATOM 690 O GLN A 43 -4.879 -13.504 -8.499 1.00 0.00 O ATOM 691 CB GLN A 43 -2.236 -12.526 -9.970 1.00 0.00 C ATOM 692 CG GLN A 43 -1.478 -13.831 -10.152 1.00 0.00 C ATOM 693 CD GLN A 43 -2.383 -14.981 -10.545 1.00 0.00 C ATOM 694 OE1 GLN A 43 -3.582 -14.966 -10.267 1.00 0.00 O ATOM 695 NE2 GLN A 43 -1.812 -15.988 -11.197 1.00 0.00 N ATOM 0 H GLN A 43 -0.798 -11.922 -8.020 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.376 -11.412 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.063 -12.494 -10.679 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.575 -11.695 -10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.712 -13.699 -10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.963 -14.080 -9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.814 -15.959 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.371 -16.790 -11.488 1.00 0.00 H new ATOM 704 N THR A 44 -3.117 -14.489 -7.504 1.00 0.00 N ATOM 705 CA THR A 44 -3.870 -15.664 -7.087 1.00 0.00 C ATOM 706 C THR A 44 -5.263 -15.281 -6.599 1.00 0.00 C ATOM 707 O THR A 44 -6.212 -16.052 -6.734 1.00 0.00 O ATOM 708 CB THR A 44 -3.140 -16.432 -5.968 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.079 -15.630 -4.783 1.00 0.00 O ATOM 710 CG2 THR A 44 -1.733 -16.812 -6.402 1.00 0.00 C ATOM 0 H THR A 44 -2.134 -14.500 -7.233 1.00 0.00 H new ATOM 0 HA THR A 44 -3.959 -16.308 -7.962 1.00 0.00 H new ATOM 0 HB THR A 44 -3.698 -17.345 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.274 -15.071 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.237 -17.353 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.784 -17.446 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.168 -15.909 -6.634 1.00 0.00 H new ATOM 718 N ARG A 45 -5.377 -14.084 -6.032 1.00 0.00 N ATOM 719 CA ARG A 45 -6.654 -13.599 -5.524 1.00 0.00 C ATOM 720 C ARG A 45 -7.383 -14.694 -4.749 1.00 0.00 C ATOM 721 O ARG A 45 -8.612 -14.734 -4.723 1.00 0.00 O ATOM 722 CB ARG A 45 -7.531 -13.105 -6.676 1.00 0.00 C ATOM 723 CG ARG A 45 -6.961 -11.897 -7.400 1.00 0.00 C ATOM 724 CD ARG A 45 -7.458 -10.595 -6.791 1.00 0.00 C ATOM 725 NE ARG A 45 -7.538 -9.523 -7.780 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.398 -9.520 -8.792 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.247 -10.527 -8.949 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.410 -8.509 -9.651 1.00 0.00 N ATOM 0 H ARG A 45 -4.601 -13.433 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.455 -12.769 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.667 -13.916 -7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.518 -12.853 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.872 -11.927 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.241 -11.937 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.441 -10.754 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.790 -10.294 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.898 -8.734 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.241 -11.307 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.906 -10.522 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.758 -7.733 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.071 -8.508 -10.428 1.00 0.00 H new ATOM 742 N GLN A 46 -6.615 -15.579 -4.122 1.00 0.00 N ATOM 743 CA GLN A 46 -7.188 -16.674 -3.349 1.00 0.00 C ATOM 744 C GLN A 46 -6.685 -16.645 -1.909 1.00 0.00 C ATOM 745 O GLN A 46 -7.392 -17.050 -0.986 1.00 0.00 O ATOM 746 CB GLN A 46 -6.843 -18.017 -3.994 1.00 0.00 C ATOM 747 CG GLN A 46 -5.515 -18.593 -3.529 1.00 0.00 C ATOM 748 CD GLN A 46 -5.138 -19.861 -4.269 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.932 -20.406 -5.036 1.00 0.00 O ATOM 750 NE2 GLN A 46 -3.919 -20.339 -4.043 1.00 0.00 N ATOM 0 H GLN A 46 -5.595 -15.559 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.271 -16.551 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.636 -18.731 -3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.817 -17.894 -5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.731 -17.848 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.568 -18.803 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.293 -19.855 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.609 -21.189 -4.513 1.00 0.00 H new ATOM 759 N SER A 47 -5.460 -16.163 -1.724 1.00 0.00 N ATOM 760 CA SER A 47 -4.861 -16.085 -0.397 1.00 0.00 C ATOM 761 C SER A 47 -4.858 -14.647 0.114 1.00 0.00 C ATOM 762 O SER A 47 -3.948 -13.873 -0.184 1.00 0.00 O ATOM 763 CB SER A 47 -3.433 -16.630 -0.426 1.00 0.00 C ATOM 764 OG SER A 47 -3.418 -18.033 -0.225 1.00 0.00 O ATOM 0 H SER A 47 -4.863 -15.821 -2.477 1.00 0.00 H new ATOM 0 HA SER A 47 -5.460 -16.692 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.969 -16.392 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.839 -16.142 0.347 1.00 0.00 H new ATOM 0 HG SER A 47 -2.493 -18.357 -0.250 1.00 0.00 H new ATOM 770 N ILE A 48 -5.883 -14.297 0.884 1.00 0.00 N ATOM 771 CA ILE A 48 -5.999 -12.954 1.437 1.00 0.00 C ATOM 772 C ILE A 48 -4.864 -12.662 2.413 1.00 0.00 C ATOM 773 O ILE A 48 -4.701 -13.355 3.417 1.00 0.00 O ATOM 774 CB ILE A 48 -7.345 -12.756 2.159 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.505 -12.937 1.178 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.401 -11.381 2.807 1.00 0.00 C ATOM 777 CD1 ILE A 48 -8.556 -11.878 0.100 1.00 0.00 C ATOM 0 H ILE A 48 -6.645 -14.925 1.139 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.941 -12.261 0.597 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.435 -13.509 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.424 -13.918 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.444 -12.925 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.358 -11.256 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.592 -11.287 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.293 -10.613 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.403 -12.070 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.669 -10.896 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.633 -11.904 -0.479 1.00 0.00 H new ATOM 789 N GLU A 49 -4.082 -11.629 2.112 1.00 0.00 N ATOM 790 CA GLU A 49 -2.963 -11.245 2.964 1.00 0.00 C ATOM 791 C GLU A 49 -3.456 -10.539 4.224 1.00 0.00 C ATOM 792 O GLU A 49 -3.162 -10.964 5.341 1.00 0.00 O ATOM 793 CB GLU A 49 -2.001 -10.334 2.199 1.00 0.00 C ATOM 794 CG GLU A 49 -0.877 -11.083 1.502 1.00 0.00 C ATOM 795 CD GLU A 49 -0.164 -12.054 2.424 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.668 -11.597 3.236 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.437 -13.269 2.333 1.00 0.00 O ATOM 0 H GLU A 49 -4.203 -11.044 1.285 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.436 -12.152 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.563 -9.767 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.570 -9.612 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.282 -11.628 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.157 -10.366 1.108 1.00 0.00 H new ATOM 804 N ASP A 50 -4.206 -9.459 4.035 1.00 0.00 N ATOM 805 CA ASP A 50 -4.740 -8.693 5.155 1.00 0.00 C ATOM 806 C ASP A 50 -5.661 -7.581 4.663 1.00 0.00 C ATOM 807 O ASP A 50 -5.672 -7.248 3.477 1.00 0.00 O ATOM 808 CB ASP A 50 -3.600 -8.100 5.984 1.00 0.00 C ATOM 809 CG ASP A 50 -3.960 -7.968 7.451 1.00 0.00 C ATOM 810 OD1 ASP A 50 -5.148 -7.728 7.751 1.00 0.00 O ATOM 811 OD2 ASP A 50 -3.053 -8.104 8.299 1.00 0.00 O ATOM 0 H ASP A 50 -4.458 -9.094 3.116 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.321 -9.369 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.716 -8.730 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.338 -7.119 5.587 1.00 0.00 H new ATOM 816 N LYS A 51 -6.432 -7.009 5.581 1.00 0.00 N ATOM 817 CA LYS A 51 -7.357 -5.933 5.242 1.00 0.00 C ATOM 818 C LYS A 51 -7.182 -4.748 6.186 1.00 0.00 C ATOM 819 O LYS A 51 -6.990 -4.923 7.389 1.00 0.00 O ATOM 820 CB LYS A 51 -8.801 -6.437 5.301 1.00 0.00 C ATOM 821 CG LYS A 51 -9.832 -5.323 5.351 1.00 0.00 C ATOM 822 CD LYS A 51 -11.198 -5.845 5.764 1.00 0.00 C ATOM 823 CE LYS A 51 -11.960 -6.412 4.576 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.294 -6.940 4.974 1.00 0.00 N ATOM 0 H LYS A 51 -6.435 -7.272 6.566 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.135 -5.602 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.995 -7.061 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.920 -7.071 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.507 -4.556 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.904 -4.848 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.079 -6.618 6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.775 -5.039 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.087 -5.635 3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.376 -7.210 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.782 -7.317 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.172 -7.699 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.861 -6.173 5.389 1.00 0.00 H new ATOM 838 N VAL A 52 -7.249 -3.541 5.632 1.00 0.00 N ATOM 839 CA VAL A 52 -7.101 -2.327 6.425 1.00 0.00 C ATOM 840 C VAL A 52 -7.840 -1.158 5.783 1.00 0.00 C ATOM 841 O VAL A 52 -7.822 -0.993 4.563 1.00 0.00 O ATOM 842 CB VAL A 52 -5.618 -1.949 6.600 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.486 -0.506 7.065 1.00 0.00 C ATOM 844 CG2 VAL A 52 -4.939 -2.897 7.577 1.00 0.00 C ATOM 0 H VAL A 52 -7.405 -3.379 4.637 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.534 -2.533 7.404 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.121 -2.041 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.431 -0.257 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.935 0.157 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.997 -0.383 8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.892 -2.616 7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.436 -2.839 8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.002 -3.917 7.198 1.00 0.00 H new ATOM 854 N HIS A 53 -8.489 -0.348 6.614 1.00 0.00 N ATOM 855 CA HIS A 53 -9.234 0.808 6.127 1.00 0.00 C ATOM 856 C HIS A 53 -8.319 2.020 5.977 1.00 0.00 C ATOM 857 O HIS A 53 -7.191 2.023 6.468 1.00 0.00 O ATOM 858 CB HIS A 53 -10.384 1.138 7.079 1.00 0.00 C ATOM 859 CG HIS A 53 -11.603 1.663 6.387 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.786 1.928 7.043 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.818 1.974 5.087 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.677 2.378 6.177 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.114 2.415 4.983 1.00 0.00 N ATOM 0 H HIS A 53 -8.514 -0.471 7.626 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.643 0.560 5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.651 0.241 7.637 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.043 1.875 7.806 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.103 1.891 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.692 2.666 6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.568 2.722 4.123 1.00 0.00 H new ATOM 872 N MET A 54 -8.814 3.047 5.294 1.00 0.00 N ATOM 873 CA MET A 54 -8.040 4.265 5.079 1.00 0.00 C ATOM 874 C MET A 54 -8.542 5.393 5.976 1.00 0.00 C ATOM 875 O MET A 54 -7.876 5.805 6.926 1.00 0.00 O ATOM 876 CB MET A 54 -8.118 4.692 3.612 1.00 0.00 C ATOM 877 CG MET A 54 -6.957 4.188 2.771 1.00 0.00 C ATOM 878 SD MET A 54 -5.360 4.776 3.367 1.00 0.00 S ATOM 879 CE MET A 54 -5.503 6.532 3.043 1.00 0.00 C ATOM 0 H MET A 54 -9.746 3.061 4.880 1.00 0.00 H new ATOM 0 HA MET A 54 -7.001 4.056 5.334 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.052 4.326 3.185 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.148 5.780 3.560 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.961 3.098 2.770 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.095 4.509 1.738 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.759 6.827 2.303 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.500 6.752 2.662 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.337 7.087 3.966 1.00 0.00 H new ATOM 889 N PRO A 55 -9.743 5.905 5.669 1.00 0.00 N ATOM 890 CA PRO A 55 -10.359 6.991 6.436 1.00 0.00 C ATOM 891 C PRO A 55 -10.797 6.544 7.827 1.00 0.00 C ATOM 892 O PRO A 55 -11.393 7.315 8.579 1.00 0.00 O ATOM 893 CB PRO A 55 -11.576 7.376 5.591 1.00 0.00 C ATOM 894 CG PRO A 55 -11.904 6.145 4.817 1.00 0.00 C ATOM 895 CD PRO A 55 -10.592 5.462 4.550 1.00 0.00 C ATOM 0 HA PRO A 55 -9.664 7.813 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.412 7.684 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.350 8.212 4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.574 5.496 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.411 6.394 3.885 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.700 4.377 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.174 5.757 3.587 1.00 0.00 H new ATOM 903 N VAL A 56 -10.496 5.294 8.163 1.00 0.00 N ATOM 904 CA VAL A 56 -10.856 4.744 9.464 1.00 0.00 C ATOM 905 C VAL A 56 -9.626 4.228 10.203 1.00 0.00 C ATOM 906 O VAL A 56 -9.430 4.520 11.383 1.00 0.00 O ATOM 907 CB VAL A 56 -11.877 3.599 9.327 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.085 2.905 10.664 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.195 4.124 8.779 1.00 0.00 C ATOM 0 H VAL A 56 -10.003 4.643 7.552 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.306 5.555 10.036 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.483 2.867 8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.810 2.099 10.547 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.137 2.493 11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.457 3.624 11.393 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.905 3.302 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.597 4.877 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.029 4.570 7.798 1.00 0.00 H new ATOM 919 N ASP A 57 -8.801 3.460 9.501 1.00 0.00 N ATOM 920 CA ASP A 57 -7.588 2.903 10.089 1.00 0.00 C ATOM 921 C ASP A 57 -6.396 3.825 9.852 1.00 0.00 C ATOM 922 O ASP A 57 -5.572 4.032 10.743 1.00 0.00 O ATOM 923 CB ASP A 57 -7.301 1.519 9.505 1.00 0.00 C ATOM 924 CG ASP A 57 -7.915 0.404 10.329 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.555 0.279 11.518 1.00 0.00 O ATOM 926 OD2 ASP A 57 -8.756 -0.343 9.785 1.00 0.00 O ATOM 0 H ASP A 57 -8.950 3.209 8.524 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.745 2.810 11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.688 1.470 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.223 1.370 9.444 1.00 0.00 H new ATOM 931 N CYS A 58 -6.312 4.376 8.646 1.00 0.00 N ATOM 932 CA CYS A 58 -5.220 5.275 8.291 1.00 0.00 C ATOM 933 C CYS A 58 -5.545 6.711 8.691 1.00 0.00 C ATOM 934 O CYS A 58 -6.624 7.220 8.387 1.00 0.00 O ATOM 935 CB CYS A 58 -4.939 5.203 6.789 1.00 0.00 C ATOM 936 SG CYS A 58 -3.600 6.283 6.235 1.00 0.00 S ATOM 0 H CYS A 58 -6.987 4.216 7.898 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.331 4.958 8.835 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.694 4.174 6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.848 5.463 6.247 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.782 6.501 7.222 1.00 0.00 H new ATOM 942 N ILE A 59 -4.607 7.356 9.375 1.00 0.00 N ATOM 943 CA ILE A 59 -4.794 8.732 9.817 1.00 0.00 C ATOM 944 C ILE A 59 -3.787 9.665 9.153 1.00 0.00 C ATOM 945 O ILE A 59 -4.027 10.865 9.026 1.00 0.00 O ATOM 946 CB ILE A 59 -4.661 8.856 11.346 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.388 8.156 11.827 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.886 8.270 12.033 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.791 8.776 13.071 1.00 0.00 C ATOM 0 H ILE A 59 -3.709 6.948 9.635 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.803 9.022 9.524 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.593 9.912 11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.612 7.108 12.025 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.647 8.178 11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.777 8.365 13.113 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.777 8.808 11.709 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.982 7.217 11.769 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.892 8.229 13.354 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.535 9.817 12.872 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.515 8.730 13.884 1.00 0.00 H new ATOM 961 N ASN A 60 -2.659 9.104 8.731 1.00 0.00 N ATOM 962 CA ASN A 60 -1.614 9.886 8.078 1.00 0.00 C ATOM 963 C ASN A 60 -0.901 9.058 7.013 1.00 0.00 C ATOM 964 O ASN A 60 -0.847 7.831 7.099 1.00 0.00 O ATOM 965 CB ASN A 60 -0.604 10.388 9.112 1.00 0.00 C ATOM 966 CG ASN A 60 0.232 11.541 8.590 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.137 12.706 8.738 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.364 11.220 7.975 1.00 0.00 N ATOM 0 H ASN A 60 -2.444 8.112 8.829 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.083 10.742 7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.134 10.705 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.053 9.568 9.402 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.968 11.953 7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.630 10.240 7.875 1.00 0.00 H new ATOM 975 N ILE A 61 -0.354 9.739 6.011 1.00 0.00 N ATOM 976 CA ILE A 61 0.358 9.067 4.931 1.00 0.00 C ATOM 977 C ILE A 61 1.754 9.651 4.746 1.00 0.00 C ATOM 978 O ILE A 61 1.908 10.804 4.343 1.00 0.00 O ATOM 979 CB ILE A 61 -0.411 9.172 3.600 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.792 8.527 3.732 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.381 8.517 2.479 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.683 8.757 2.531 1.00 0.00 C ATOM 0 H ILE A 61 -0.390 10.755 5.925 1.00 0.00 H new ATOM 0 HA ILE A 61 0.441 8.017 5.212 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.545 10.226 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.670 7.455 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.285 8.921 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.175 8.599 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.344 9.017 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.542 7.465 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.645 8.272 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.835 9.827 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.211 8.338 1.642 1.00 0.00 H new ATOM 994 N ARG A 62 2.770 8.846 5.043 1.00 0.00 N ATOM 995 CA ARG A 62 4.154 9.283 4.909 1.00 0.00 C ATOM 996 C ARG A 62 4.767 8.757 3.614 1.00 0.00 C ATOM 997 O ARG A 62 4.876 7.547 3.412 1.00 0.00 O ATOM 998 CB ARG A 62 4.979 8.808 6.106 1.00 0.00 C ATOM 999 CG ARG A 62 4.633 9.519 7.404 1.00 0.00 C ATOM 1000 CD ARG A 62 5.740 9.364 8.436 1.00 0.00 C ATOM 1001 NE ARG A 62 5.321 9.818 9.760 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.918 9.446 10.886 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.955 8.620 10.850 1.00 0.00 N ATOM 1004 NH2 ARG A 62 5.479 9.902 12.053 1.00 0.00 N ATOM 0 H ARG A 62 2.660 7.889 5.378 1.00 0.00 H new ATOM 0 HA ARG A 62 4.164 10.373 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.829 7.736 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.037 8.958 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.464 10.578 7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.702 9.117 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.042 8.318 8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.614 9.932 8.118 1.00 0.00 H new ATOM 0 HE ARG A 62 4.527 10.455 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.296 8.269 9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.411 8.336 11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.683 10.539 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.938 9.616 12.918 1.00 0.00 H new ATOM 1018 N THR A 63 5.166 9.674 2.738 1.00 0.00 N ATOM 1019 CA THR A 63 5.766 9.303 1.463 1.00 0.00 C ATOM 1020 C THR A 63 6.913 10.240 1.102 1.00 0.00 C ATOM 1021 O THR A 63 6.811 11.455 1.268 1.00 0.00 O ATOM 1022 CB THR A 63 4.727 9.321 0.327 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.303 10.665 0.071 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.522 8.463 0.682 1.00 0.00 C ATOM 0 H THR A 63 5.084 10.679 2.889 1.00 0.00 H new ATOM 0 HA THR A 63 6.150 8.290 1.578 1.00 0.00 H new ATOM 0 HB THR A 63 5.194 8.911 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.653 10.959 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.802 8.491 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.843 7.435 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.056 8.847 1.589 1.00 0.00 H new ATOM 1032 N GLY A 64 8.006 9.667 0.606 1.00 0.00 N ATOM 1033 CA GLY A 64 9.157 10.467 0.229 1.00 0.00 C ATOM 1034 C GLY A 64 10.036 10.813 1.414 1.00 0.00 C ATOM 1035 O GLY A 64 10.788 9.971 1.906 1.00 0.00 O ATOM 0 H GLY A 64 8.115 8.664 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.746 9.924 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.816 11.386 -0.247 1.00 0.00 H new ATOM 1039 N HIS A 65 9.943 12.057 1.874 1.00 0.00 N ATOM 1040 CA HIS A 65 10.737 12.514 3.009 1.00 0.00 C ATOM 1041 C HIS A 65 9.938 12.418 4.305 1.00 0.00 C ATOM 1042 O HIS A 65 10.057 13.273 5.182 1.00 0.00 O ATOM 1043 CB HIS A 65 11.201 13.954 2.787 1.00 0.00 C ATOM 1044 CG HIS A 65 12.147 14.108 1.636 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.324 13.398 1.529 1.00 0.00 N ATOM 1046 CD2 HIS A 65 12.083 14.897 0.538 1.00 0.00 C ATOM 1047 CE1 HIS A 65 13.944 13.744 0.415 1.00 0.00 C ATOM 1048 NE2 HIS A 65 13.212 14.652 -0.205 1.00 0.00 N ATOM 0 H HIS A 65 9.326 12.766 1.478 1.00 0.00 H new ATOM 0 HA HIS A 65 11.611 11.868 3.093 1.00 0.00 H new ATOM 0 HB2 HIS A 65 10.329 14.586 2.617 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.684 14.315 3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 65 11.292 15.590 0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.889 13.351 0.070 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.447 15.099 -1.091 1.00 0.00 H new ATOM 1057 N GLU A 66 9.125 11.372 4.417 1.00 0.00 N ATOM 1058 CA GLU A 66 8.306 11.167 5.606 1.00 0.00 C ATOM 1059 C GLU A 66 8.688 9.869 6.312 1.00 0.00 C ATOM 1060 O GLU A 66 8.713 9.803 7.542 1.00 0.00 O ATOM 1061 CB GLU A 66 6.822 11.139 5.231 1.00 0.00 C ATOM 1062 CG GLU A 66 6.335 12.422 4.580 1.00 0.00 C ATOM 1063 CD GLU A 66 4.839 12.622 4.732 1.00 0.00 C ATOM 1064 OE1 GLU A 66 4.361 12.668 5.885 1.00 0.00 O ATOM 1065 OE2 GLU A 66 4.148 12.732 3.698 1.00 0.00 O ATOM 0 H GLU A 66 9.016 10.655 3.700 1.00 0.00 H new ATOM 0 HA GLU A 66 8.486 11.998 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.643 10.306 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.233 10.950 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.858 13.270 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.590 12.407 3.520 1.00 0.00 H new ATOM 1072 N CYS A 67 8.984 8.840 5.526 1.00 0.00 N ATOM 1073 CA CYS A 67 9.364 7.543 6.076 1.00 0.00 C ATOM 1074 C CYS A 67 10.865 7.482 6.338 1.00 0.00 C ATOM 1075 O CYS A 67 11.672 7.725 5.441 1.00 0.00 O ATOM 1076 CB CYS A 67 8.955 6.422 5.119 1.00 0.00 C ATOM 1077 SG CYS A 67 9.354 6.747 3.386 1.00 0.00 S ATOM 0 H CYS A 67 8.968 8.878 4.507 1.00 0.00 H new ATOM 0 HA CYS A 67 8.843 7.411 7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.447 5.499 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.881 6.256 5.208 1.00 0.00 H new ATOM 0 HG CYS A 67 10.517 7.323 3.309 1.00 0.00 H new ATOM 1083 N ARG A 68 11.231 7.157 7.573 1.00 0.00 N ATOM 1084 CA ARG A 68 12.636 7.067 7.955 1.00 0.00 C ATOM 1085 C ARG A 68 12.920 5.754 8.678 1.00 0.00 C ATOM 1086 O ARG A 68 14.013 5.199 8.572 1.00 0.00 O ATOM 1087 CB ARG A 68 13.020 8.248 8.849 1.00 0.00 C ATOM 1088 CG ARG A 68 12.841 9.601 8.181 1.00 0.00 C ATOM 1089 CD ARG A 68 13.182 10.740 9.129 1.00 0.00 C ATOM 1090 NE ARG A 68 14.615 11.023 9.151 1.00 0.00 N ATOM 1091 CZ ARG A 68 15.230 11.622 10.165 1.00 0.00 C ATOM 1092 NH1 ARG A 68 14.541 11.999 11.233 1.00 0.00 N ATOM 1093 NH2 ARG A 68 16.537 11.845 10.112 1.00 0.00 N ATOM 0 H ARG A 68 10.575 6.952 8.326 1.00 0.00 H new ATOM 0 HA ARG A 68 13.237 7.098 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.416 8.217 9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.060 8.138 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.477 9.659 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.811 9.706 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.640 11.637 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.847 10.487 10.135 1.00 0.00 H new ATOM 0 HE ARG A 68 15.174 10.746 8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.536 11.829 11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.016 12.459 12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.071 11.556 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.008 12.305 10.891 1.00 0.00 H new ATOM 1107 N ASP A 69 11.928 5.264 9.413 1.00 0.00 N ATOM 1108 CA ASP A 69 12.071 4.015 10.154 1.00 0.00 C ATOM 1109 C ASP A 69 12.257 2.837 9.203 1.00 0.00 C ATOM 1110 O ASP A 69 12.498 1.710 9.636 1.00 0.00 O ATOM 1111 CB ASP A 69 10.847 3.782 11.042 1.00 0.00 C ATOM 1112 CG ASP A 69 11.106 2.755 12.127 1.00 0.00 C ATOM 1113 OD1 ASP A 69 11.967 3.014 12.995 1.00 0.00 O ATOM 1114 OD2 ASP A 69 10.448 1.694 12.109 1.00 0.00 O ATOM 0 H ASP A 69 11.017 5.712 9.512 1.00 0.00 H new ATOM 0 HA ASP A 69 12.958 4.093 10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.550 4.725 11.502 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.012 3.451 10.425 1.00 0.00 H new ATOM 1119 N ILE A 70 12.144 3.106 7.907 1.00 0.00 N ATOM 1120 CA ILE A 70 12.300 2.069 6.895 1.00 0.00 C ATOM 1121 C ILE A 70 13.410 2.423 5.912 1.00 0.00 C ATOM 1122 O ILE A 70 14.100 3.429 6.075 1.00 0.00 O ATOM 1123 CB ILE A 70 10.992 1.841 6.116 1.00 0.00 C ATOM 1124 CG1 ILE A 70 10.774 2.965 5.101 1.00 0.00 C ATOM 1125 CG2 ILE A 70 9.813 1.750 7.074 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.596 2.731 4.182 1.00 0.00 C ATOM 0 H ILE A 70 11.945 4.034 7.533 1.00 0.00 H new ATOM 0 HA ILE A 70 12.564 1.152 7.421 1.00 0.00 H new ATOM 0 HB ILE A 70 11.069 0.898 5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.626 3.903 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.676 3.080 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.896 1.589 6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.966 0.918 7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.732 2.678 7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.503 3.568 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.751 1.810 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.684 2.646 4.773 1.00 0.00 H new ATOM 1138 N GLN A 71 13.575 1.590 4.889 1.00 0.00 N ATOM 1139 CA GLN A 71 14.600 1.816 3.878 1.00 0.00 C ATOM 1140 C GLN A 71 14.208 1.173 2.551 1.00 0.00 C ATOM 1141 O GLN A 71 13.710 0.048 2.502 1.00 0.00 O ATOM 1142 CB GLN A 71 15.944 1.259 4.350 1.00 0.00 C ATOM 1143 CG GLN A 71 16.388 1.805 5.698 1.00 0.00 C ATOM 1144 CD GLN A 71 17.859 1.560 5.971 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.382 0.479 5.697 1.00 0.00 O ATOM 1146 NE2 GLN A 71 18.537 2.565 6.513 1.00 0.00 N ATOM 0 H GLN A 71 13.012 0.753 4.739 1.00 0.00 H new ATOM 0 HA GLN A 71 14.693 2.891 3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.877 0.173 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.706 1.490 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.189 2.876 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.794 1.343 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.064 3.444 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.530 2.458 6.718 1.00 0.00 H new ATOM 1155 N PRO A 72 14.437 1.902 1.449 1.00 0.00 N ATOM 1156 CA PRO A 72 14.116 1.423 0.102 1.00 0.00 C ATOM 1157 C PRO A 72 15.029 0.285 -0.342 1.00 0.00 C ATOM 1158 O PRO A 72 16.199 0.213 0.034 1.00 0.00 O ATOM 1159 CB PRO A 72 14.334 2.657 -0.776 1.00 0.00 C ATOM 1160 CG PRO A 72 15.316 3.488 -0.024 1.00 0.00 C ATOM 1161 CD PRO A 72 15.029 3.251 1.433 1.00 0.00 C ATOM 0 HA PRO A 72 13.106 1.016 0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.718 2.381 -1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.401 3.197 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.339 3.203 -0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.209 4.543 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.937 3.299 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.342 3.996 1.834 1.00 0.00 H new ATOM 1169 N PRO A 73 14.485 -0.626 -1.162 1.00 0.00 N ATOM 1170 CA PRO A 73 15.234 -1.777 -1.676 1.00 0.00 C ATOM 1171 C PRO A 73 16.306 -1.368 -2.681 1.00 0.00 C ATOM 1172 O PRO A 73 16.040 -0.610 -3.613 1.00 0.00 O ATOM 1173 CB PRO A 73 14.158 -2.626 -2.357 1.00 0.00 C ATOM 1174 CG PRO A 73 13.088 -1.657 -2.725 1.00 0.00 C ATOM 1175 CD PRO A 73 13.096 -0.604 -1.652 1.00 0.00 C ATOM 0 HA PRO A 73 15.771 -2.300 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.552 -3.133 -3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.780 -3.398 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.279 -1.218 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.117 -2.150 -2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.825 0.375 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.386 -0.834 -0.858 1.00 0.00 H new ATOM 1183 N ASP A 74 17.518 -1.877 -2.486 1.00 0.00 N ATOM 1184 CA ASP A 74 18.630 -1.566 -3.377 1.00 0.00 C ATOM 1185 C ASP A 74 18.152 -1.447 -4.821 1.00 0.00 C ATOM 1186 O ASP A 74 17.738 -2.431 -5.431 1.00 0.00 O ATOM 1187 CB ASP A 74 19.712 -2.642 -3.271 1.00 0.00 C ATOM 1188 CG ASP A 74 20.984 -2.257 -3.999 1.00 0.00 C ATOM 1189 OD1 ASP A 74 21.691 -1.346 -3.519 1.00 0.00 O ATOM 1190 OD2 ASP A 74 21.274 -2.867 -5.049 1.00 0.00 O ATOM 0 H ASP A 74 17.755 -2.506 -1.719 1.00 0.00 H new ATOM 0 HA ASP A 74 19.051 -0.608 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.939 -2.823 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.331 -3.578 -3.681 1.00 0.00 H new ATOM 1195 N GLY A 75 18.213 -0.233 -5.361 1.00 0.00 N ATOM 1196 CA GLY A 75 17.783 -0.008 -6.728 1.00 0.00 C ATOM 1197 C GLY A 75 16.648 0.993 -6.821 1.00 0.00 C ATOM 1198 O GLY A 75 16.617 1.826 -7.727 1.00 0.00 O ATOM 0 H GLY A 75 18.552 0.598 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.628 0.349 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.466 -0.954 -7.166 1.00 0.00 H new ATOM 1202 N LYS A 76 15.711 0.911 -5.883 1.00 0.00 N ATOM 1203 CA LYS A 76 14.567 1.816 -5.862 1.00 0.00 C ATOM 1204 C LYS A 76 14.899 3.094 -5.098 1.00 0.00 C ATOM 1205 O LYS A 76 15.600 3.077 -4.086 1.00 0.00 O ATOM 1206 CB LYS A 76 13.358 1.128 -5.225 1.00 0.00 C ATOM 1207 CG LYS A 76 12.717 0.077 -6.115 1.00 0.00 C ATOM 1208 CD LYS A 76 11.254 -0.133 -5.766 1.00 0.00 C ATOM 1209 CE LYS A 76 10.618 -1.198 -6.645 1.00 0.00 C ATOM 1210 NZ LYS A 76 11.206 -2.544 -6.400 1.00 0.00 N ATOM 0 H LYS A 76 15.721 0.227 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 76 14.326 2.081 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.667 0.661 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.613 1.882 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.803 0.381 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.255 -0.865 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.167 -0.424 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.713 0.806 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.545 -1.231 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.750 -0.930 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.575 -3.274 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.134 -2.607 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.320 -2.692 -5.377 1.00 0.00 H new ATOM 1224 N PRO A 77 14.383 4.230 -5.591 1.00 0.00 N ATOM 1225 CA PRO A 77 14.610 5.538 -4.969 1.00 0.00 C ATOM 1226 C PRO A 77 13.890 5.676 -3.631 1.00 0.00 C ATOM 1227 O PRO A 77 13.410 4.691 -3.070 1.00 0.00 O ATOM 1228 CB PRO A 77 14.034 6.521 -5.990 1.00 0.00 C ATOM 1229 CG PRO A 77 13.016 5.734 -6.742 1.00 0.00 C ATOM 1230 CD PRO A 77 13.539 4.325 -6.793 1.00 0.00 C ATOM 0 HA PRO A 77 15.663 5.705 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.584 7.383 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.810 6.902 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.047 5.773 -6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.876 6.135 -7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.730 3.595 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.112 4.142 -7.702 1.00 0.00 H new ATOM 1238 N ARG A 78 13.818 6.903 -3.127 1.00 0.00 N ATOM 1239 CA ARG A 78 13.157 7.169 -1.855 1.00 0.00 C ATOM 1240 C ARG A 78 11.751 7.719 -2.078 1.00 0.00 C ATOM 1241 O ARG A 78 10.819 7.379 -1.349 1.00 0.00 O ATOM 1242 CB ARG A 78 13.979 8.159 -1.027 1.00 0.00 C ATOM 1243 CG ARG A 78 13.742 8.044 0.470 1.00 0.00 C ATOM 1244 CD ARG A 78 14.629 9.002 1.250 1.00 0.00 C ATOM 1245 NE ARG A 78 16.043 8.661 1.128 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.966 9.024 2.012 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.624 9.737 3.076 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.233 8.675 1.831 1.00 0.00 N ATOM 0 H ARG A 78 14.209 7.729 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 78 13.078 6.228 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.038 8.000 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.741 9.173 -1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.695 8.254 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.937 7.021 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.469 10.018 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.342 8.987 2.301 1.00 0.00 H new ATOM 0 HE ARG A 78 16.339 8.114 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.651 10.008 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.334 10.015 3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.499 8.128 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.941 8.954 2.510 1.00 0.00 H new ATOM 1262 N ASP A 79 11.608 8.570 -3.088 1.00 0.00 N ATOM 1263 CA ASP A 79 10.316 9.167 -3.407 1.00 0.00 C ATOM 1264 C ASP A 79 9.298 8.093 -3.779 1.00 0.00 C ATOM 1265 O ASP A 79 8.091 8.339 -3.773 1.00 0.00 O ATOM 1266 CB ASP A 79 10.462 10.168 -4.553 1.00 0.00 C ATOM 1267 CG ASP A 79 11.701 11.030 -4.415 1.00 0.00 C ATOM 1268 OD1 ASP A 79 12.110 11.302 -3.267 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.263 11.432 -5.456 1.00 0.00 O ATOM 0 H ASP A 79 12.370 8.862 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 79 9.957 9.691 -2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.502 9.629 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.580 10.808 -4.587 1.00 0.00 H new ATOM 1274 N CYS A 80 9.793 6.904 -4.102 1.00 0.00 N ATOM 1275 CA CYS A 80 8.927 5.792 -4.479 1.00 0.00 C ATOM 1276 C CYS A 80 8.496 4.998 -3.251 1.00 0.00 C ATOM 1277 O CYS A 80 7.947 3.901 -3.368 1.00 0.00 O ATOM 1278 CB CYS A 80 9.643 4.873 -5.470 1.00 0.00 C ATOM 1279 SG CYS A 80 10.992 3.913 -4.744 1.00 0.00 S ATOM 0 H CYS A 80 10.789 6.685 -4.111 1.00 0.00 H new ATOM 0 HA CYS A 80 8.036 6.203 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.915 4.187 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.039 5.476 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 80 11.677 4.668 -3.937 1.00 0.00 H new ATOM 1285 N LEU A 81 8.749 5.557 -2.073 1.00 0.00 N ATOM 1286 CA LEU A 81 8.388 4.900 -0.821 1.00 0.00 C ATOM 1287 C LEU A 81 6.997 5.326 -0.363 1.00 0.00 C ATOM 1288 O LEU A 81 6.662 6.512 -0.379 1.00 0.00 O ATOM 1289 CB LEU A 81 9.416 5.227 0.264 1.00 0.00 C ATOM 1290 CG LEU A 81 10.778 4.544 0.126 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.736 5.043 1.197 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.626 3.032 0.205 1.00 0.00 C ATOM 0 H LEU A 81 9.203 6.463 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 81 8.380 3.824 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.572 6.306 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.992 4.956 1.231 1.00 0.00 H new ATOM 0 HG LEU A 81 11.193 4.797 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.700 4.546 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.868 6.120 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.327 4.821 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.604 2.562 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.189 2.760 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.975 2.689 -0.599 1.00 0.00 H new ATOM 1304 N LEU A 82 6.191 4.353 0.045 1.00 0.00 N ATOM 1305 CA LEU A 82 4.835 4.626 0.510 1.00 0.00 C ATOM 1306 C LEU A 82 4.606 4.036 1.898 1.00 0.00 C ATOM 1307 O LEU A 82 4.928 2.875 2.149 1.00 0.00 O ATOM 1308 CB LEU A 82 3.813 4.057 -0.475 1.00 0.00 C ATOM 1309 CG LEU A 82 2.418 4.683 -0.432 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.331 5.858 -1.394 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.356 3.643 -0.758 1.00 0.00 C ATOM 0 H LEU A 82 6.452 3.367 0.064 1.00 0.00 H new ATOM 0 HA LEU A 82 4.708 5.707 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.209 4.170 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.715 2.987 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 82 2.237 5.052 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.332 6.291 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.066 6.613 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.533 5.514 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.370 4.106 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.533 3.243 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.403 2.834 -0.029 1.00 0.00 H new ATOM 1323 N GLN A 83 4.045 4.843 2.793 1.00 0.00 N ATOM 1324 CA GLN A 83 3.771 4.399 4.155 1.00 0.00 C ATOM 1325 C GLN A 83 2.381 4.839 4.601 1.00 0.00 C ATOM 1326 O GLN A 83 1.968 5.972 4.352 1.00 0.00 O ATOM 1327 CB GLN A 83 4.826 4.949 5.115 1.00 0.00 C ATOM 1328 CG GLN A 83 4.972 4.135 6.390 1.00 0.00 C ATOM 1329 CD GLN A 83 6.184 4.540 7.206 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.104 5.424 8.060 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.315 3.893 6.949 1.00 0.00 N ATOM 0 H GLN A 83 3.772 5.807 2.600 1.00 0.00 H new ATOM 0 HA GLN A 83 3.810 3.310 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.788 4.983 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.567 5.975 5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.074 4.253 6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.047 3.078 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.336 3.167 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.163 4.122 7.468 1.00 0.00 H new ATOM 1340 N ILE A 84 1.663 3.937 5.262 1.00 0.00 N ATOM 1341 CA ILE A 84 0.320 4.233 5.744 1.00 0.00 C ATOM 1342 C ILE A 84 0.256 4.172 7.266 1.00 0.00 C ATOM 1343 O ILE A 84 0.190 3.091 7.853 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.716 3.256 5.158 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.595 3.202 3.634 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.123 3.667 5.568 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -1.044 4.473 2.947 1.00 0.00 C ATOM 0 H ILE A 84 1.989 2.995 5.476 1.00 0.00 H new ATOM 0 HA ILE A 84 0.082 5.244 5.413 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.518 2.260 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.442 3.001 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.188 2.367 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.844 2.967 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.202 3.659 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.332 4.670 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.931 4.363 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.090 4.665 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.435 5.308 3.293 1.00 0.00 H new ATOM 1359 N VAL A 85 0.275 5.340 7.901 1.00 0.00 N ATOM 1360 CA VAL A 85 0.216 5.420 9.355 1.00 0.00 C ATOM 1361 C VAL A 85 -1.182 5.092 9.868 1.00 0.00 C ATOM 1362 O VAL A 85 -2.117 5.874 9.693 1.00 0.00 O ATOM 1363 CB VAL A 85 0.620 6.819 9.857 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.575 6.875 11.377 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.002 7.191 9.342 1.00 0.00 C ATOM 0 H VAL A 85 0.331 6.243 7.431 1.00 0.00 H new ATOM 0 HA VAL A 85 0.923 4.685 9.741 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.095 7.545 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.864 7.871 11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.436 6.655 11.719 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.265 6.139 11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.271 8.182 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.731 6.463 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.995 7.194 8.252 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.317 3.932 10.501 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.602 3.500 11.039 1.00 0.00 C ATOM 1377 C CYS A 86 -2.732 3.884 12.510 1.00 0.00 C ATOM 1378 O CYS A 86 -1.733 4.056 13.207 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.763 1.988 10.879 1.00 0.00 C ATOM 1380 SG CYS A 86 -3.340 1.477 9.243 1.00 0.00 S ATOM 0 H CYS A 86 -0.553 3.274 10.654 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.390 4.003 10.479 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.806 1.508 11.081 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.466 1.627 11.630 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.645 0.214 9.266 1.00 0.00 H new ATOM 1386 N ARG A 87 -3.971 4.018 12.973 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.232 4.385 14.360 1.00 0.00 C ATOM 1388 C ARG A 87 -3.459 3.482 15.316 1.00 0.00 C ATOM 1389 O ARG A 87 -2.758 2.564 14.889 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.730 4.300 14.659 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.575 5.236 13.810 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.028 4.790 13.769 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.921 5.873 13.362 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.211 5.917 13.673 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.757 4.945 14.391 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.959 6.935 13.266 1.00 0.00 N ATOM 0 H ARG A 87 -4.809 3.878 12.408 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.897 5.412 14.507 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.066 3.275 14.499 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.895 4.529 15.712 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.515 6.248 14.212 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.175 5.271 12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.132 3.955 13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.324 4.427 14.753 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.532 6.637 12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.186 4.161 14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.748 4.981 14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.543 7.685 12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.950 6.968 13.506 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.591 3.749 16.611 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.905 2.960 17.628 1.00 0.00 C ATOM 1412 C ASP A 88 -1.404 2.917 17.361 1.00 0.00 C ATOM 1413 O ASP A 88 -0.781 1.858 17.433 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.470 1.539 17.668 1.00 0.00 C ATOM 1415 CG ASP A 88 -3.149 0.825 18.966 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -3.793 1.137 19.989 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -2.253 -0.045 18.959 1.00 0.00 O ATOM 0 H ASP A 88 -4.167 4.505 16.981 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.070 3.436 18.595 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.551 1.577 17.535 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.066 0.967 16.833 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.829 4.075 17.053 1.00 0.00 N ATOM 1423 CA GLY A 89 0.594 4.147 16.779 1.00 0.00 C ATOM 1424 C GLY A 89 1.053 3.079 15.806 1.00 0.00 C ATOM 1425 O GLY A 89 2.164 2.560 15.919 1.00 0.00 O ATOM 0 H GLY A 89 -1.323 4.965 16.988 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.833 5.130 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.146 4.044 17.713 1.00 0.00 H new ATOM 1429 N LYS A 90 0.194 2.747 14.848 1.00 0.00 N ATOM 1430 CA LYS A 90 0.515 1.732 13.851 1.00 0.00 C ATOM 1431 C LYS A 90 0.987 2.377 12.551 1.00 0.00 C ATOM 1432 O LYS A 90 0.697 3.544 12.284 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.704 0.849 13.581 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.401 -0.357 12.709 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.601 -1.283 12.599 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.417 -2.305 11.489 1.00 0.00 C ATOM 1437 NZ LYS A 90 -1.614 -1.703 10.141 1.00 0.00 N ATOM 0 H LYS A 90 -0.730 3.166 14.741 1.00 0.00 H new ATOM 0 HA LYS A 90 1.323 1.115 14.244 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.111 0.506 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.477 1.449 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.106 -0.023 11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.445 -0.904 13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.752 -1.798 13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.499 -0.695 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.417 -2.734 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.124 -3.123 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.953 -2.138 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.591 -1.870 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.436 -0.679 10.189 1.00 0.00 H new ATOM 1451 N THR A 91 1.713 1.610 11.744 1.00 0.00 N ATOM 1452 CA THR A 91 2.224 2.107 10.473 1.00 0.00 C ATOM 1453 C THR A 91 2.537 0.959 9.520 1.00 0.00 C ATOM 1454 O THR A 91 3.078 -0.069 9.928 1.00 0.00 O ATOM 1455 CB THR A 91 3.494 2.956 10.670 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.229 4.031 11.578 1.00 0.00 O ATOM 1457 CG2 THR A 91 3.983 3.515 9.343 1.00 0.00 C ATOM 0 H THR A 91 1.960 0.642 11.948 1.00 0.00 H new ATOM 0 HA THR A 91 1.442 2.732 10.041 1.00 0.00 H new ATOM 0 HB THR A 91 4.272 2.315 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.261 4.146 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.881 4.111 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.212 2.693 8.664 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.207 4.142 8.904 1.00 0.00 H new ATOM 1465 N ILE A 92 2.193 1.141 8.249 1.00 0.00 N ATOM 1466 CA ILE A 92 2.439 0.120 7.238 1.00 0.00 C ATOM 1467 C ILE A 92 3.503 0.575 6.245 1.00 0.00 C ATOM 1468 O ILE A 92 3.432 1.680 5.707 1.00 0.00 O ATOM 1469 CB ILE A 92 1.152 -0.233 6.470 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.070 -0.716 7.438 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.439 -1.293 5.416 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.329 -0.634 6.870 1.00 0.00 C ATOM 0 H ILE A 92 1.743 1.986 7.895 1.00 0.00 H new ATOM 0 HA ILE A 92 2.793 -0.767 7.764 1.00 0.00 H new ATOM 0 HB ILE A 92 0.789 0.663 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.280 -1.748 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.118 -0.121 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.520 -1.532 4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.180 -0.915 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.822 -2.192 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.044 -0.992 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.558 0.401 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.395 -1.251 5.974 1.00 0.00 H new ATOM 1484 N SER A 93 4.487 -0.285 6.004 1.00 0.00 N ATOM 1485 CA SER A 93 5.567 0.029 5.076 1.00 0.00 C ATOM 1486 C SER A 93 5.280 -0.547 3.693 1.00 0.00 C ATOM 1487 O SER A 93 5.069 -1.751 3.540 1.00 0.00 O ATOM 1488 CB SER A 93 6.896 -0.517 5.603 1.00 0.00 C ATOM 1489 OG SER A 93 7.032 -0.275 6.992 1.00 0.00 O ATOM 0 H SER A 93 4.559 -1.205 6.439 1.00 0.00 H new ATOM 0 HA SER A 93 5.636 1.114 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.955 -1.588 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.723 -0.051 5.067 1.00 0.00 H new ATOM 0 HG SER A 93 7.888 -0.635 7.304 1.00 0.00 H new ATOM 1495 N LEU A 94 5.273 0.322 2.688 1.00 0.00 N ATOM 1496 CA LEU A 94 5.011 -0.099 1.315 1.00 0.00 C ATOM 1497 C LEU A 94 5.981 0.570 0.347 1.00 0.00 C ATOM 1498 O LEU A 94 6.531 1.633 0.638 1.00 0.00 O ATOM 1499 CB LEU A 94 3.571 0.235 0.924 1.00 0.00 C ATOM 1500 CG LEU A 94 2.493 -0.146 1.940 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.149 0.440 1.538 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.399 -1.659 2.075 1.00 0.00 C ATOM 0 H LEU A 94 5.445 1.321 2.797 1.00 0.00 H new ATOM 0 HA LEU A 94 5.155 -1.178 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.505 1.307 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.346 -0.265 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 94 2.771 0.269 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.395 0.158 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.224 1.526 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.863 0.056 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.627 -1.912 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.145 -2.095 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.358 -2.055 2.411 1.00 0.00 H new ATOM 1514 N CYS A 95 6.185 -0.059 -0.806 1.00 0.00 N ATOM 1515 CA CYS A 95 7.088 0.476 -1.819 1.00 0.00 C ATOM 1516 C CYS A 95 6.545 0.221 -3.221 1.00 0.00 C ATOM 1517 O CYS A 95 6.152 -0.897 -3.551 1.00 0.00 O ATOM 1518 CB CYS A 95 8.477 -0.149 -1.675 1.00 0.00 C ATOM 1519 SG CYS A 95 9.787 0.758 -2.531 1.00 0.00 S ATOM 0 H CYS A 95 5.738 -0.939 -1.062 1.00 0.00 H new ATOM 0 HA CYS A 95 7.165 1.553 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.727 -0.213 -0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.446 -1.169 -2.058 1.00 0.00 H new ATOM 0 HG CYS A 95 9.522 0.806 -3.803 1.00 0.00 H new ATOM 1525 N ALA A 96 6.524 1.267 -4.041 1.00 0.00 N ATOM 1526 CA ALA A 96 6.029 1.157 -5.407 1.00 0.00 C ATOM 1527 C ALA A 96 7.159 0.825 -6.375 1.00 0.00 C ATOM 1528 O ALA A 96 8.318 1.156 -6.127 1.00 0.00 O ATOM 1529 CB ALA A 96 5.336 2.446 -5.823 1.00 0.00 C ATOM 0 H ALA A 96 6.844 2.200 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 96 5.306 0.342 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.971 2.349 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.497 2.640 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.043 3.274 -5.767 1.00 0.00 H new ATOM 1535 N GLU A 97 6.813 0.168 -7.478 1.00 0.00 N ATOM 1536 CA GLU A 97 7.801 -0.210 -8.483 1.00 0.00 C ATOM 1537 C GLU A 97 8.692 0.975 -8.842 1.00 0.00 C ATOM 1538 O GLU A 97 9.917 0.856 -8.879 1.00 0.00 O ATOM 1539 CB GLU A 97 7.106 -0.739 -9.739 1.00 0.00 C ATOM 1540 CG GLU A 97 8.034 -1.496 -10.675 1.00 0.00 C ATOM 1541 CD GLU A 97 8.265 -2.928 -10.235 1.00 0.00 C ATOM 1542 OE1 GLU A 97 8.109 -3.210 -9.028 1.00 0.00 O ATOM 1543 OE2 GLU A 97 8.602 -3.767 -11.096 1.00 0.00 O ATOM 0 H GLU A 97 5.858 -0.113 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 97 8.426 -0.998 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.288 -1.396 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.663 0.098 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.612 -1.492 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.991 -0.978 -10.729 1.00 0.00 H new ATOM 1550 N SER A 98 8.068 2.119 -9.107 1.00 0.00 N ATOM 1551 CA SER A 98 8.803 3.325 -9.468 1.00 0.00 C ATOM 1552 C SER A 98 8.071 4.573 -8.983 1.00 0.00 C ATOM 1553 O SER A 98 6.893 4.519 -8.630 1.00 0.00 O ATOM 1554 CB SER A 98 9.001 3.393 -10.984 1.00 0.00 C ATOM 1555 OG SER A 98 10.024 4.313 -11.324 1.00 0.00 O ATOM 0 H SER A 98 7.055 2.235 -9.078 1.00 0.00 H new ATOM 0 HA SER A 98 9.778 3.285 -8.983 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.255 2.404 -11.365 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.068 3.689 -11.463 1.00 0.00 H new ATOM 0 HG SER A 98 10.132 4.337 -12.298 1.00 0.00 H new ATOM 1561 N THR A 99 8.779 5.698 -8.968 1.00 0.00 N ATOM 1562 CA THR A 99 8.199 6.960 -8.526 1.00 0.00 C ATOM 1563 C THR A 99 6.770 7.116 -9.033 1.00 0.00 C ATOM 1564 O THR A 99 5.857 7.410 -8.262 1.00 0.00 O ATOM 1565 CB THR A 99 9.036 8.161 -9.005 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.393 8.017 -8.572 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.464 9.466 -8.471 1.00 0.00 C ATOM 0 H THR A 99 9.755 5.761 -9.257 1.00 0.00 H new ATOM 0 HA THR A 99 8.195 6.941 -7.436 1.00 0.00 H new ATOM 0 HB THR A 99 9.004 8.187 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.918 8.784 -8.882 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.071 10.300 -8.822 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.441 9.587 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.470 9.447 -7.381 1.00 0.00 H new ATOM 1575 N ASP A 100 6.584 6.917 -10.333 1.00 0.00 N ATOM 1576 CA ASP A 100 5.264 7.034 -10.943 1.00 0.00 C ATOM 1577 C ASP A 100 4.241 6.189 -10.190 1.00 0.00 C ATOM 1578 O ASP A 100 3.204 6.692 -9.757 1.00 0.00 O ATOM 1579 CB ASP A 100 5.317 6.605 -12.410 1.00 0.00 C ATOM 1580 CG ASP A 100 6.294 7.435 -13.220 1.00 0.00 C ATOM 1581 OD1 ASP A 100 6.016 8.633 -13.438 1.00 0.00 O ATOM 1582 OD2 ASP A 100 7.335 6.887 -13.638 1.00 0.00 O ATOM 0 H ASP A 100 7.330 6.674 -10.985 1.00 0.00 H new ATOM 0 HA ASP A 100 4.957 8.078 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.601 5.554 -12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.322 6.691 -12.847 1.00 0.00 H new ATOM 1587 N ASP A 101 4.539 4.903 -10.039 1.00 0.00 N ATOM 1588 CA ASP A 101 3.645 3.988 -9.339 1.00 0.00 C ATOM 1589 C ASP A 101 3.288 4.528 -7.958 1.00 0.00 C ATOM 1590 O ASP A 101 2.126 4.500 -7.551 1.00 0.00 O ATOM 1591 CB ASP A 101 4.292 2.609 -9.209 1.00 0.00 C ATOM 1592 CG ASP A 101 4.420 1.901 -10.544 1.00 0.00 C ATOM 1593 OD1 ASP A 101 4.922 2.527 -11.502 1.00 0.00 O ATOM 1594 OD2 ASP A 101 4.019 0.722 -10.631 1.00 0.00 O ATOM 0 H ASP A 101 5.393 4.471 -10.392 1.00 0.00 H new ATOM 0 HA ASP A 101 2.729 3.897 -9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.280 2.715 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.699 1.995 -8.531 1.00 0.00 H new ATOM 1599 N CYS A 102 4.294 5.017 -7.241 1.00 0.00 N ATOM 1600 CA CYS A 102 4.086 5.562 -5.904 1.00 0.00 C ATOM 1601 C CYS A 102 3.102 6.726 -5.938 1.00 0.00 C ATOM 1602 O CYS A 102 2.027 6.663 -5.339 1.00 0.00 O ATOM 1603 CB CYS A 102 5.417 6.021 -5.306 1.00 0.00 C ATOM 1604 SG CYS A 102 5.313 6.519 -3.570 1.00 0.00 S ATOM 0 H CYS A 102 5.261 5.047 -7.563 1.00 0.00 H new ATOM 0 HA CYS A 102 3.667 4.774 -5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.143 5.213 -5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.797 6.859 -5.891 1.00 0.00 H new ATOM 0 HG CYS A 102 6.316 7.293 -3.280 1.00 0.00 H new ATOM 1610 N LEU A 103 3.475 7.790 -6.641 1.00 0.00 N ATOM 1611 CA LEU A 103 2.626 8.971 -6.752 1.00 0.00 C ATOM 1612 C LEU A 103 1.179 8.576 -7.029 1.00 0.00 C ATOM 1613 O LEU A 103 0.270 8.951 -6.288 1.00 0.00 O ATOM 1614 CB LEU A 103 3.138 9.889 -7.863 1.00 0.00 C ATOM 1615 CG LEU A 103 4.242 10.870 -7.467 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.876 11.488 -8.704 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.690 11.953 -6.551 1.00 0.00 C ATOM 0 H LEU A 103 4.360 7.859 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 103 2.662 9.505 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.507 9.268 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.295 10.460 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 103 5.012 10.321 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.659 12.183 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.307 10.702 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.116 12.023 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.490 12.642 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.900 12.499 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.284 11.495 -5.649 1.00 0.00 H new ATOM 1629 N ALA A 104 0.973 7.817 -8.100 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.363 7.368 -8.472 1.00 0.00 C ATOM 1631 C ALA A 104 -1.150 6.911 -7.249 1.00 0.00 C ATOM 1632 O ALA A 104 -2.212 7.455 -6.944 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.276 6.245 -9.495 1.00 0.00 C ATOM 0 H ALA A 104 1.714 7.500 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.891 8.211 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.281 5.919 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.240 6.603 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.275 5.407 -9.069 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.623 5.911 -6.552 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.278 5.381 -5.361 1.00 0.00 C ATOM 1641 C TRP A 105 -1.465 6.472 -4.312 1.00 0.00 C ATOM 1642 O TRP A 105 -2.534 6.595 -3.713 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.461 4.228 -4.775 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.819 2.893 -5.355 1.00 0.00 C ATOM 1645 CD1 TRP A 105 -0.046 2.123 -6.177 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -2.040 2.172 -5.157 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.714 0.967 -6.502 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.939 0.973 -5.888 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.208 2.422 -4.432 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.962 0.029 -5.915 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.223 1.485 -4.460 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -4.094 0.300 -5.196 1.00 0.00 C ATOM 0 H TRP A 105 0.255 5.451 -6.790 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.261 5.010 -5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.598 4.419 -4.947 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.609 4.199 -3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 105 0.944 2.384 -6.521 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.356 0.225 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.316 3.332 -3.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.865 -0.884 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.131 1.669 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.904 -0.414 -5.196 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.420 7.263 -4.094 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.469 8.345 -3.118 1.00 0.00 C ATOM 1665 C LYS A 106 -1.667 9.254 -3.374 1.00 0.00 C ATOM 1666 O LYS A 106 -2.463 9.518 -2.472 1.00 0.00 O ATOM 1667 CB LYS A 106 0.824 9.162 -3.166 1.00 0.00 C ATOM 1668 CG LYS A 106 0.748 10.467 -2.392 1.00 0.00 C ATOM 1669 CD LYS A 106 2.132 11.003 -2.066 1.00 0.00 C ATOM 1670 CE LYS A 106 2.057 12.357 -1.376 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.825 13.462 -2.347 1.00 0.00 N ATOM 0 H LYS A 106 0.472 7.175 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.575 7.903 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.640 8.559 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.068 9.380 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.199 11.206 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.190 10.312 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.656 10.295 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.714 11.093 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.253 12.346 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.984 12.540 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.780 14.368 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.605 13.489 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.928 13.301 -2.848 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.790 9.730 -4.609 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.892 10.609 -4.983 1.00 0.00 C ATOM 1687 C PHE A 107 -4.234 9.997 -4.592 1.00 0.00 C ATOM 1688 O PHE A 107 -5.049 10.633 -3.923 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.863 10.885 -6.488 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.589 11.529 -6.955 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.073 12.633 -6.296 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.908 11.030 -8.054 1.00 0.00 C ATOM 1693 CE1 PHE A 107 0.098 13.228 -6.725 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.265 11.620 -8.487 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.769 12.720 -7.821 1.00 0.00 C ATOM 0 H PHE A 107 -1.140 9.522 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.772 11.550 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.004 9.947 -7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.703 11.530 -6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.592 13.033 -5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.298 10.170 -8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.489 14.090 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.786 11.221 -9.345 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.686 13.182 -8.156 1.00 0.00 H new ATOM 1705 N THR A 108 -4.457 8.756 -5.014 1.00 0.00 N ATOM 1706 CA THR A 108 -5.699 8.057 -4.711 1.00 0.00 C ATOM 1707 C THR A 108 -5.916 7.950 -3.206 1.00 0.00 C ATOM 1708 O THR A 108 -6.999 8.250 -2.701 1.00 0.00 O ATOM 1709 CB THR A 108 -5.712 6.644 -5.322 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.321 6.701 -6.698 1.00 0.00 O ATOM 1711 CG2 THR A 108 -7.094 6.017 -5.208 1.00 0.00 C ATOM 0 H THR A 108 -3.793 8.214 -5.567 1.00 0.00 H new ATOM 0 HA THR A 108 -6.507 8.642 -5.151 1.00 0.00 H new ATOM 0 HB THR A 108 -5.004 6.027 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.330 5.798 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.078 5.019 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.376 5.947 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.819 6.635 -5.738 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.880 7.521 -2.493 1.00 0.00 N ATOM 1720 CA LEU A 109 -4.957 7.374 -1.043 1.00 0.00 C ATOM 1721 C LEU A 109 -5.311 8.702 -0.380 1.00 0.00 C ATOM 1722 O LEU A 109 -6.160 8.754 0.509 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.629 6.854 -0.492 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.189 5.477 -0.991 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.695 5.285 -0.778 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -3.975 4.379 -0.289 1.00 0.00 C ATOM 0 H LEU A 109 -3.977 7.269 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.744 6.654 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.849 7.574 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.698 6.819 0.595 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.394 5.416 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.400 4.300 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.148 6.051 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.466 5.366 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.649 3.406 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.802 4.438 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.038 4.506 -0.493 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.656 9.771 -0.821 1.00 0.00 N ATOM 1739 CA GLN A 110 -4.903 11.098 -0.270 1.00 0.00 C ATOM 1740 C GLN A 110 -6.356 11.512 -0.478 1.00 0.00 C ATOM 1741 O GLN A 110 -6.856 12.416 0.191 1.00 0.00 O ATOM 1742 CB GLN A 110 -3.971 12.123 -0.918 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.623 12.244 -0.224 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.689 13.082 1.038 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.629 12.966 1.825 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.689 13.932 1.237 1.00 0.00 N ATOM 0 H GLN A 110 -3.951 9.744 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.704 11.062 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.810 11.848 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.459 13.097 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.256 11.248 0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.903 12.687 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.930 13.995 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.679 14.522 2.069 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.028 10.845 -1.410 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.425 11.143 -1.705 1.00 0.00 C ATOM 1757 C ASP A 111 -9.355 10.227 -0.915 1.00 0.00 C ATOM 1758 O ASP A 111 -10.247 10.694 -0.207 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.694 10.993 -3.203 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.894 11.800 -3.659 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.278 12.749 -2.944 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.449 11.482 -4.732 1.00 0.00 O ATOM 0 H ASP A 111 -6.628 10.095 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.622 12.173 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.813 11.310 -3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.857 9.941 -3.436 1.00 0.00 H new ATOM 1767 N SER A 112 -9.140 8.922 -1.042 1.00 0.00 N ATOM 1768 CA SER A 112 -9.963 7.941 -0.343 1.00 0.00 C ATOM 1769 C SER A 112 -10.109 8.306 1.131 1.00 0.00 C ATOM 1770 O SER A 112 -11.176 8.135 1.721 1.00 0.00 O ATOM 1771 CB SER A 112 -9.351 6.545 -0.476 1.00 0.00 C ATOM 1772 OG SER A 112 -8.123 6.457 0.224 1.00 0.00 O ATOM 0 H SER A 112 -8.404 8.519 -1.622 1.00 0.00 H new ATOM 0 HA SER A 112 -10.953 7.942 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.047 5.801 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.190 6.314 -1.529 1.00 0.00 H new ATOM 0 HG SER A 112 -7.652 7.314 0.167 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.029 8.809 1.719 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.036 9.197 3.125 1.00 0.00 C ATOM 1780 C ARG A 113 -9.963 10.386 3.356 1.00 0.00 C ATOM 1781 O ARG A 113 -10.504 10.564 4.448 1.00 0.00 O ATOM 1782 CB ARG A 113 -7.619 9.544 3.587 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.111 10.872 3.048 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.704 11.171 3.542 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.711 11.872 4.823 1.00 0.00 N ATOM 1786 CZ ARG A 113 -4.671 12.551 5.295 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -3.548 12.621 4.594 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -4.755 13.162 6.470 1.00 0.00 N ATOM 0 H ARG A 113 -8.138 8.958 1.245 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.404 8.353 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -7.598 9.572 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.940 8.751 3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.119 10.851 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.784 11.672 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.149 10.238 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.180 11.775 2.801 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.561 11.839 5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.481 12.153 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.751 13.143 4.958 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.618 13.110 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.956 13.683 6.832 1.00 0.00 H new ATOM 1802 N THR A 114 -10.144 11.200 2.320 1.00 0.00 N ATOM 1803 CA THR A 114 -11.004 12.373 2.410 1.00 0.00 C ATOM 1804 C THR A 114 -12.193 12.114 3.328 1.00 0.00 C ATOM 1805 O THR A 114 -12.643 13.008 4.044 1.00 0.00 O ATOM 1806 CB THR A 114 -11.523 12.796 1.023 1.00 0.00 C ATOM 1807 OG1 THR A 114 -12.155 14.079 1.107 1.00 0.00 O ATOM 1808 CG2 THR A 114 -12.510 11.774 0.479 1.00 0.00 C ATOM 0 H THR A 114 -9.706 11.068 1.408 1.00 0.00 H new ATOM 0 HA THR A 114 -10.398 13.179 2.824 1.00 0.00 H new ATOM 0 HB THR A 114 -10.673 12.853 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 114 -12.481 14.342 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.863 12.095 -0.501 1.00 0.00 H new ATOM 0 HG22 THR A 114 -12.018 10.805 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.357 11.689 1.159 1.00 0.00 H new ATOM 1816 N SER A 115 -12.698 10.884 3.302 1.00 0.00 N ATOM 1817 CA SER A 115 -13.837 10.508 4.130 1.00 0.00 C ATOM 1818 C SER A 115 -14.919 11.584 4.087 1.00 0.00 C ATOM 1819 O SER A 115 -15.429 12.009 5.122 1.00 0.00 O ATOM 1820 CB SER A 115 -13.390 10.277 5.575 1.00 0.00 C ATOM 1821 OG SER A 115 -14.381 9.579 6.310 1.00 0.00 O ATOM 0 H SER A 115 -12.336 10.132 2.716 1.00 0.00 H new ATOM 0 HA SER A 115 -14.253 9.582 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.459 9.710 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.185 11.235 6.053 1.00 0.00 H new ATOM 0 HG SER A 115 -15.215 10.094 6.305 1.00 0.00 H new ATOM 1827 N GLY A 116 -15.263 12.019 2.878 1.00 0.00 N ATOM 1828 CA GLY A 116 -16.282 13.041 2.721 1.00 0.00 C ATOM 1829 C GLY A 116 -16.277 13.654 1.335 1.00 0.00 C ATOM 1830 O GLY A 116 -15.705 13.107 0.392 1.00 0.00 O ATOM 0 H GLY A 116 -14.855 11.682 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.262 12.607 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.124 13.824 3.462 1.00 0.00 H new ATOM 1834 N PRO A 117 -16.930 14.818 1.196 1.00 0.00 N ATOM 1835 CA PRO A 117 -17.015 15.531 -0.082 1.00 0.00 C ATOM 1836 C PRO A 117 -15.674 16.120 -0.507 1.00 0.00 C ATOM 1837 O PRO A 117 -15.028 16.835 0.259 1.00 0.00 O ATOM 1838 CB PRO A 117 -18.023 16.647 0.201 1.00 0.00 C ATOM 1839 CG PRO A 117 -17.939 16.870 1.672 1.00 0.00 C ATOM 1840 CD PRO A 117 -17.635 15.528 2.277 1.00 0.00 C ATOM 0 HA PRO A 117 -17.307 14.871 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -17.775 17.553 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -19.030 16.356 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -17.159 17.593 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -18.876 17.270 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.015 15.620 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -18.544 15.006 2.574 1.00 0.00 H new ATOM 1848 N SER A 118 -15.261 15.815 -1.733 1.00 0.00 N ATOM 1849 CA SER A 118 -13.995 16.312 -2.259 1.00 0.00 C ATOM 1850 C SER A 118 -14.149 17.732 -2.795 1.00 0.00 C ATOM 1851 O SER A 118 -13.370 18.622 -2.457 1.00 0.00 O ATOM 1852 CB SER A 118 -13.482 15.389 -3.367 1.00 0.00 C ATOM 1853 OG SER A 118 -12.213 15.811 -3.834 1.00 0.00 O ATOM 0 H SER A 118 -15.785 15.226 -2.381 1.00 0.00 H new ATOM 0 HA SER A 118 -13.272 16.327 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 118 -13.414 14.368 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.192 15.378 -4.194 1.00 0.00 H new ATOM 0 HG SER A 118 -11.906 15.205 -4.540 1.00 0.00 H new ATOM 1859 N SER A 119 -15.161 17.935 -3.633 1.00 0.00 N ATOM 1860 CA SER A 119 -15.416 19.245 -4.219 1.00 0.00 C ATOM 1861 C SER A 119 -16.844 19.700 -3.933 1.00 0.00 C ATOM 1862 O SER A 119 -17.740 18.881 -3.736 1.00 0.00 O ATOM 1863 CB SER A 119 -15.174 19.208 -5.730 1.00 0.00 C ATOM 1864 OG SER A 119 -16.004 18.245 -6.355 1.00 0.00 O ATOM 0 H SER A 119 -15.817 17.209 -3.921 1.00 0.00 H new ATOM 0 HA SER A 119 -14.728 19.958 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.368 20.192 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.128 18.975 -5.928 1.00 0.00 H new ATOM 0 HG SER A 119 -15.832 18.242 -7.320 1.00 0.00 H new ATOM 1870 N GLY A 120 -17.047 21.014 -3.912 1.00 0.00 N ATOM 1871 CA GLY A 120 -18.368 21.556 -3.649 1.00 0.00 C ATOM 1872 C GLY A 120 -18.725 22.693 -4.586 1.00 0.00 C ATOM 1873 O GLY A 120 -19.844 23.205 -4.552 1.00 0.00 O ATOM 0 H GLY A 120 -16.321 21.712 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -19.109 20.763 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -18.414 21.910 -2.619 1.00 0.00 H new TER 1877 GLY A 120