USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 847 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 53 SER OG : rot -160:sc= -0.587 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.00302 USER MOD Set 2.1: A 50 SER OG : rot -86:sc= 1.21 USER MOD Set 2.2: A 65 HIS : no HD1:sc= 0.956 K(o=2.2,f=-2.4) USER MOD Set 3.1: A 46 MET CE :methyl -159:sc= -1.82 (180deg=-2.87) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 19:sc= 1.02 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.366 F(o=-1.2!,f=-0.37) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.0281 K(o=0.028,f=-2) USER MOD Single : A 23 SER OG : rot 180:sc= -0.329! USER MOD Single : A 25 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.86) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.154 F(o=-0.94,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ -115:sc= -0.729 (180deg=-2.42!) USER MOD Single : A 32 LYS NZ :NH3+ -108:sc= -1.65! (180deg=-3.93!) USER MOD Single : A 37 MET CE :methyl -127:sc= -1.76! (180deg=-3.16!) USER MOD Single : A 40 ASN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc=-0.00243 (180deg=-0.0748) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 73:sc= 0.081 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0259 (180deg=-0.253) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.35) USER MOD Single : A 71 ASN : amide:sc= -2.91! C(o=-2.9!,f=-4.6!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -1.14 F(o=-2.7!,f=-1.1) USER MOD Single : A 95 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.9!) USER MOD Single : A 96 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.23) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -157:sc= -0.111 (180deg=-0.611) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 38:sc= 0.955 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.410 -22.691 -19.394 1.00 0.00 N ATOM 2 CA GLY A 1 10.404 -23.809 -18.469 1.00 0.00 C ATOM 3 C GLY A 1 9.545 -23.546 -17.247 1.00 0.00 C ATOM 4 O GLY A 1 8.400 -23.991 -17.180 1.00 0.00 O ATOM 0 H1 GLY A 1 11.011 -22.920 -20.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.440 -22.504 -19.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.784 -21.847 -18.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.038 -24.699 -18.982 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.425 -24.020 -18.153 1.00 0.00 H new ATOM 8 N SER A 2 10.098 -22.821 -16.281 1.00 0.00 N ATOM 9 CA SER A 2 9.378 -22.505 -15.054 1.00 0.00 C ATOM 10 C SER A 2 8.738 -21.123 -15.141 1.00 0.00 C ATOM 11 O SER A 2 9.425 -20.104 -15.077 1.00 0.00 O ATOM 12 CB SER A 2 10.320 -22.568 -13.851 1.00 0.00 C ATOM 13 OG SER A 2 9.720 -21.998 -12.701 1.00 0.00 O ATOM 0 H SER A 2 11.044 -22.441 -16.324 1.00 0.00 H new ATOM 0 HA SER A 2 8.589 -23.246 -14.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.587 -23.605 -13.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.245 -22.040 -14.082 1.00 0.00 H new ATOM 0 HG SER A 2 10.343 -22.053 -11.946 1.00 0.00 H new ATOM 19 N SER A 3 7.417 -21.097 -15.287 1.00 0.00 N ATOM 20 CA SER A 3 6.684 -19.839 -15.388 1.00 0.00 C ATOM 21 C SER A 3 5.370 -19.915 -14.617 1.00 0.00 C ATOM 22 O SER A 3 4.986 -20.974 -14.123 1.00 0.00 O ATOM 23 CB SER A 3 6.409 -19.500 -16.854 1.00 0.00 C ATOM 24 OG SER A 3 7.604 -19.530 -17.617 1.00 0.00 O ATOM 0 H SER A 3 6.832 -21.931 -15.338 1.00 0.00 H new ATOM 0 HA SER A 3 7.298 -19.052 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.692 -20.210 -17.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.954 -18.512 -16.923 1.00 0.00 H new ATOM 0 HG SER A 3 7.402 -19.311 -18.551 1.00 0.00 H new ATOM 30 N GLY A 4 4.683 -18.780 -14.518 1.00 0.00 N ATOM 31 CA GLY A 4 3.420 -18.738 -13.804 1.00 0.00 C ATOM 32 C GLY A 4 2.481 -17.680 -14.353 1.00 0.00 C ATOM 33 O GLY A 4 2.915 -16.593 -14.733 1.00 0.00 O ATOM 0 H GLY A 4 4.979 -17.890 -14.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.939 -19.714 -13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.609 -18.541 -12.749 1.00 0.00 H new ATOM 37 N SER A 5 1.192 -18.000 -14.393 1.00 0.00 N ATOM 38 CA SER A 5 0.190 -17.072 -14.903 1.00 0.00 C ATOM 39 C SER A 5 -0.243 -16.090 -13.819 1.00 0.00 C ATOM 40 O SER A 5 -0.129 -14.875 -13.984 1.00 0.00 O ATOM 41 CB SER A 5 -1.026 -17.838 -15.428 1.00 0.00 C ATOM 42 OG SER A 5 -0.642 -18.809 -16.386 1.00 0.00 O ATOM 0 H SER A 5 0.817 -18.895 -14.078 1.00 0.00 H new ATOM 0 HA SER A 5 0.637 -16.509 -15.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.539 -18.324 -14.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.734 -17.140 -15.876 1.00 0.00 H new ATOM 0 HG SER A 5 -1.436 -19.286 -16.705 1.00 0.00 H new ATOM 48 N SER A 6 -0.742 -16.626 -12.709 1.00 0.00 N ATOM 49 CA SER A 6 -1.195 -15.799 -11.598 1.00 0.00 C ATOM 50 C SER A 6 -0.036 -15.453 -10.668 1.00 0.00 C ATOM 51 O SER A 6 0.438 -16.298 -9.908 1.00 0.00 O ATOM 52 CB SER A 6 -2.295 -16.518 -10.814 1.00 0.00 C ATOM 53 OG SER A 6 -1.782 -17.655 -10.142 1.00 0.00 O ATOM 0 H SER A 6 -0.842 -17.629 -12.556 1.00 0.00 H new ATOM 0 HA SER A 6 -1.597 -14.873 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.737 -15.833 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.091 -16.822 -11.494 1.00 0.00 H new ATOM 0 HG SER A 6 -0.807 -17.583 -10.074 1.00 0.00 H new ATOM 59 N GLY A 7 0.417 -14.205 -10.734 1.00 0.00 N ATOM 60 CA GLY A 7 1.517 -13.769 -9.894 1.00 0.00 C ATOM 61 C GLY A 7 1.327 -12.357 -9.377 1.00 0.00 C ATOM 62 O GLY A 7 1.011 -11.445 -10.142 1.00 0.00 O ATOM 0 H GLY A 7 0.042 -13.488 -11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.618 -14.451 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.447 -13.823 -10.461 1.00 0.00 H new ATOM 66 N LEU A 8 1.519 -12.175 -8.075 1.00 0.00 N ATOM 67 CA LEU A 8 1.366 -10.863 -7.455 1.00 0.00 C ATOM 68 C LEU A 8 2.613 -10.012 -7.665 1.00 0.00 C ATOM 69 O LEU A 8 2.524 -8.803 -7.881 1.00 0.00 O ATOM 70 CB LEU A 8 1.083 -11.014 -5.959 1.00 0.00 C ATOM 71 CG LEU A 8 1.290 -9.761 -5.108 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.333 -8.660 -5.537 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.106 -10.083 -3.632 1.00 0.00 C ATOM 0 H LEU A 8 1.781 -12.919 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 8 0.523 -10.361 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.052 -11.346 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.722 -11.805 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 8 2.310 -9.407 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.495 -7.776 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.511 -8.410 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.694 -9.003 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.257 -9.180 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.098 -10.461 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.832 -10.839 -3.331 1.00 0.00 H new ATOM 85 N ASP A 9 3.776 -10.651 -7.603 1.00 0.00 N ATOM 86 CA ASP A 9 5.043 -9.954 -7.790 1.00 0.00 C ATOM 87 C ASP A 9 5.181 -9.452 -9.225 1.00 0.00 C ATOM 88 O ASP A 9 5.930 -8.514 -9.495 1.00 0.00 O ATOM 89 CB ASP A 9 6.213 -10.876 -7.444 1.00 0.00 C ATOM 90 CG ASP A 9 6.480 -11.903 -8.527 1.00 0.00 C ATOM 91 OD1 ASP A 9 5.680 -12.854 -8.655 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.489 -11.756 -9.248 1.00 0.00 O ATOM 0 H ASP A 9 3.868 -11.651 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 9 5.058 -9.094 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.110 -10.277 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.003 -11.388 -6.505 1.00 0.00 H new ATOM 97 N ASP A 10 4.453 -10.084 -10.139 1.00 0.00 N ATOM 98 CA ASP A 10 4.495 -9.703 -11.546 1.00 0.00 C ATOM 99 C ASP A 10 3.985 -8.278 -11.737 1.00 0.00 C ATOM 100 O ASP A 10 4.090 -7.711 -12.825 1.00 0.00 O ATOM 101 CB ASP A 10 3.661 -10.672 -12.384 1.00 0.00 C ATOM 102 CG ASP A 10 4.425 -11.931 -12.745 1.00 0.00 C ATOM 103 OD1 ASP A 10 5.407 -11.830 -13.510 1.00 0.00 O ATOM 104 OD2 ASP A 10 4.042 -13.017 -12.263 1.00 0.00 O ATOM 0 H ASP A 10 3.827 -10.862 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 10 5.532 -9.747 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.761 -10.943 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.337 -10.172 -13.297 1.00 0.00 H new ATOM 109 N TYR A 11 3.432 -7.705 -10.674 1.00 0.00 N ATOM 110 CA TYR A 11 2.902 -6.348 -10.725 1.00 0.00 C ATOM 111 C TYR A 11 4.024 -5.320 -10.606 1.00 0.00 C ATOM 112 O TYR A 11 5.201 -5.675 -10.540 1.00 0.00 O ATOM 113 CB TYR A 11 1.879 -6.134 -9.609 1.00 0.00 C ATOM 114 CG TYR A 11 0.475 -6.549 -9.987 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.251 -5.835 -10.931 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.124 -7.656 -9.399 1.00 0.00 C ATOM 117 CE1 TYR A 11 -1.535 -6.210 -11.278 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.406 -8.040 -9.741 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.107 -7.314 -10.681 1.00 0.00 C ATOM 120 OH TYR A 11 -3.385 -7.692 -11.025 1.00 0.00 O ATOM 0 H TYR A 11 3.339 -8.160 -9.766 1.00 0.00 H new ATOM 0 HA TYR A 11 2.411 -6.214 -11.689 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.191 -6.697 -8.729 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.875 -5.081 -9.329 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.195 -4.972 -11.402 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.422 -8.226 -8.662 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.087 -5.642 -12.012 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.857 -8.904 -9.275 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.639 -8.489 -10.515 1.00 0.00 H new ATOM 130 N ASP A 12 3.650 -4.046 -10.579 1.00 0.00 N ATOM 131 CA ASP A 12 4.623 -2.965 -10.467 1.00 0.00 C ATOM 132 C ASP A 12 4.617 -2.373 -9.060 1.00 0.00 C ATOM 133 O ASP A 12 5.669 -2.200 -8.445 1.00 0.00 O ATOM 134 CB ASP A 12 4.325 -1.873 -11.495 1.00 0.00 C ATOM 135 CG ASP A 12 4.638 -2.311 -12.911 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.767 -2.791 -13.149 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.755 -2.174 -13.783 1.00 0.00 O ATOM 0 H ASP A 12 2.680 -3.736 -10.633 1.00 0.00 H new ATOM 0 HA ASP A 12 5.612 -3.377 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.274 -1.592 -11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.908 -0.984 -11.256 1.00 0.00 H new ATOM 142 N TRP A 13 3.426 -2.064 -8.559 1.00 0.00 N ATOM 143 CA TRP A 13 3.284 -1.491 -7.227 1.00 0.00 C ATOM 144 C TRP A 13 3.921 -2.391 -6.174 1.00 0.00 C ATOM 145 O TRP A 13 4.416 -1.915 -5.153 1.00 0.00 O ATOM 146 CB TRP A 13 1.806 -1.270 -6.899 1.00 0.00 C ATOM 147 CG TRP A 13 0.897 -2.262 -7.559 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.341 -2.163 -8.804 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.437 -3.502 -7.010 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.436 -3.267 -9.060 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.393 -4.104 -7.976 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.648 -4.163 -5.798 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.012 -5.333 -7.764 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.033 -5.382 -5.588 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.788 -5.958 -6.568 1.00 0.00 C ATOM 0 H TRP A 13 2.546 -2.201 -9.056 1.00 0.00 H new ATOM 0 HA TRP A 13 3.800 -0.531 -7.216 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.669 -1.324 -5.819 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.519 -0.264 -7.207 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.490 -1.339 -9.486 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.960 -3.436 -9.918 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.281 -3.729 -5.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.646 -5.777 -8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.187 -5.900 -4.653 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.253 -6.914 -6.375 1.00 0.00 H new ATOM 166 N PHE A 14 3.907 -3.695 -6.431 1.00 0.00 N ATOM 167 CA PHE A 14 4.483 -4.663 -5.505 1.00 0.00 C ATOM 168 C PHE A 14 6.005 -4.556 -5.485 1.00 0.00 C ATOM 169 O PHE A 14 6.667 -4.769 -6.500 1.00 0.00 O ATOM 170 CB PHE A 14 4.066 -6.083 -5.894 1.00 0.00 C ATOM 171 CG PHE A 14 4.500 -7.126 -4.904 1.00 0.00 C ATOM 172 CD1 PHE A 14 5.833 -7.486 -4.797 1.00 0.00 C ATOM 173 CD2 PHE A 14 3.573 -7.747 -4.082 1.00 0.00 C ATOM 174 CE1 PHE A 14 6.235 -8.447 -3.888 1.00 0.00 C ATOM 175 CE2 PHE A 14 3.969 -8.709 -3.170 1.00 0.00 C ATOM 176 CZ PHE A 14 5.302 -9.057 -3.072 1.00 0.00 C ATOM 0 H PHE A 14 3.503 -4.105 -7.273 1.00 0.00 H new ATOM 0 HA PHE A 14 4.107 -4.442 -4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.981 -6.120 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.487 -6.322 -6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.567 -7.011 -5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.530 -7.477 -4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.277 -8.721 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.237 -9.187 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.615 -9.805 -2.358 1.00 0.00 H new ATOM 186 N ALA A 15 6.553 -4.223 -4.321 1.00 0.00 N ATOM 187 CA ALA A 15 7.996 -4.088 -4.166 1.00 0.00 C ATOM 188 C ALA A 15 8.611 -5.370 -3.614 1.00 0.00 C ATOM 189 O ALA A 15 9.651 -5.825 -4.087 1.00 0.00 O ATOM 190 CB ALA A 15 8.322 -2.911 -3.259 1.00 0.00 C ATOM 0 H ALA A 15 6.019 -4.042 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 15 8.426 -3.904 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.403 -2.822 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.924 -1.995 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.873 -3.072 -2.279 1.00 0.00 H new ATOM 196 N GLY A 16 7.960 -5.948 -2.609 1.00 0.00 N ATOM 197 CA GLY A 16 8.458 -7.172 -2.009 1.00 0.00 C ATOM 198 C GLY A 16 8.999 -6.953 -0.610 1.00 0.00 C ATOM 199 O GLY A 16 8.515 -6.090 0.121 1.00 0.00 O ATOM 0 H GLY A 16 7.097 -5.590 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.655 -7.909 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.245 -7.588 -2.639 1.00 0.00 H new ATOM 203 N ASN A 17 10.003 -7.739 -0.235 1.00 0.00 N ATOM 204 CA ASN A 17 10.608 -7.628 1.088 1.00 0.00 C ATOM 205 C ASN A 17 11.574 -6.448 1.147 1.00 0.00 C ATOM 206 O ASN A 17 12.680 -6.512 0.612 1.00 0.00 O ATOM 207 CB ASN A 17 11.343 -8.921 1.445 1.00 0.00 C ATOM 208 CG ASN A 17 12.151 -9.467 0.284 1.00 0.00 C ATOM 209 OD1 ASN A 17 11.505 -10.260 -0.564 1.00 0.00 O flip ATOM 210 ND2 ASN A 17 13.340 -9.180 0.150 1.00 0.00 N flip ATOM 0 H ASN A 17 10.415 -8.459 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 17 9.811 -7.459 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.006 -8.737 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.619 -9.671 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.796 -8.567 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.870 -9.555 -0.637 1.00 0.00 H new ATOM 217 N ILE A 18 11.147 -5.374 1.802 1.00 0.00 N ATOM 218 CA ILE A 18 11.974 -4.181 1.933 1.00 0.00 C ATOM 219 C ILE A 18 12.245 -3.858 3.399 1.00 0.00 C ATOM 220 O ILE A 18 11.606 -4.409 4.295 1.00 0.00 O ATOM 221 CB ILE A 18 11.313 -2.961 1.265 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.916 -2.730 1.845 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.241 -3.157 -0.242 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.926 -2.029 3.185 1.00 0.00 C ATOM 0 H ILE A 18 10.233 -5.305 2.250 1.00 0.00 H new ATOM 0 HA ILE A 18 12.917 -4.394 1.429 1.00 0.00 H new ATOM 0 HB ILE A 18 11.921 -2.079 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.332 -2.139 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.412 -3.691 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.771 -2.287 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.248 -3.279 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.652 -4.047 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.902 -1.899 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.482 -2.629 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.401 -1.053 3.082 1.00 0.00 H new ATOM 236 N SER A 19 13.197 -2.961 3.635 1.00 0.00 N ATOM 237 CA SER A 19 13.554 -2.565 4.993 1.00 0.00 C ATOM 238 C SER A 19 12.951 -1.207 5.340 1.00 0.00 C ATOM 239 O SER A 19 12.640 -0.409 4.456 1.00 0.00 O ATOM 240 CB SER A 19 15.076 -2.515 5.147 1.00 0.00 C ATOM 241 OG SER A 19 15.444 -2.308 6.500 1.00 0.00 O ATOM 0 H SER A 19 13.735 -2.495 2.904 1.00 0.00 H new ATOM 0 HA SER A 19 13.150 -3.308 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.512 -3.447 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.481 -1.713 4.530 1.00 0.00 H new ATOM 0 HG SER A 19 16.421 -2.282 6.573 1.00 0.00 H new ATOM 247 N ARG A 20 12.788 -0.953 6.634 1.00 0.00 N ATOM 248 CA ARG A 20 12.220 0.306 7.100 1.00 0.00 C ATOM 249 C ARG A 20 12.921 1.493 6.446 1.00 0.00 C ATOM 250 O ARG A 20 12.386 2.600 6.410 1.00 0.00 O ATOM 251 CB ARG A 20 12.333 0.409 8.622 1.00 0.00 C ATOM 252 CG ARG A 20 13.721 0.796 9.105 1.00 0.00 C ATOM 253 CD ARG A 20 13.691 1.307 10.538 1.00 0.00 C ATOM 254 NE ARG A 20 13.490 0.227 11.500 1.00 0.00 N ATOM 255 CZ ARG A 20 13.794 0.326 12.788 1.00 0.00 C ATOM 256 NH1 ARG A 20 14.310 1.449 13.268 1.00 0.00 N ATOM 257 NH2 ARG A 20 13.582 -0.701 13.602 1.00 0.00 N ATOM 0 H ARG A 20 13.041 -1.603 7.379 1.00 0.00 H new ATOM 0 HA ARG A 20 11.167 0.327 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.614 1.145 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.058 -0.549 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.384 -0.067 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.133 1.565 8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.627 1.820 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.892 2.041 10.645 1.00 0.00 H new ATOM 0 HE ARG A 20 13.095 -0.651 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.475 2.241 12.647 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.542 1.521 14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.185 -1.567 13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.816 -0.624 14.592 1.00 0.00 H new ATOM 271 N SER A 21 14.124 1.253 5.931 1.00 0.00 N ATOM 272 CA SER A 21 14.901 2.303 5.283 1.00 0.00 C ATOM 273 C SER A 21 14.565 2.388 3.796 1.00 0.00 C ATOM 274 O SER A 21 14.177 3.443 3.297 1.00 0.00 O ATOM 275 CB SER A 21 16.398 2.046 5.466 1.00 0.00 C ATOM 276 OG SER A 21 17.146 3.235 5.278 1.00 0.00 O ATOM 0 H SER A 21 14.581 0.341 5.950 1.00 0.00 H new ATOM 0 HA SER A 21 14.644 3.253 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.583 1.650 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.730 1.288 4.756 1.00 0.00 H new ATOM 0 HG SER A 21 18.099 3.045 5.402 1.00 0.00 H new ATOM 282 N GLN A 22 14.720 1.268 3.097 1.00 0.00 N ATOM 283 CA GLN A 22 14.435 1.214 1.668 1.00 0.00 C ATOM 284 C GLN A 22 13.080 1.841 1.360 1.00 0.00 C ATOM 285 O GLN A 22 12.985 2.789 0.580 1.00 0.00 O ATOM 286 CB GLN A 22 14.465 -0.232 1.174 1.00 0.00 C ATOM 287 CG GLN A 22 15.842 -0.694 0.726 1.00 0.00 C ATOM 288 CD GLN A 22 16.036 -2.190 0.883 1.00 0.00 C ATOM 289 OE1 GLN A 22 15.805 -2.748 1.955 1.00 0.00 O ATOM 290 NE2 GLN A 22 16.463 -2.847 -0.189 1.00 0.00 N ATOM 0 H GLN A 22 15.041 0.386 3.497 1.00 0.00 H new ATOM 0 HA GLN A 22 15.205 1.783 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.113 -0.887 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.767 -0.338 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.991 -0.420 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.603 -0.170 1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.642 -2.344 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.612 -3.855 -0.144 1.00 0.00 H new ATOM 299 N SER A 23 12.031 1.306 1.978 1.00 0.00 N ATOM 300 CA SER A 23 10.679 1.810 1.766 1.00 0.00 C ATOM 301 C SER A 23 10.687 3.323 1.575 1.00 0.00 C ATOM 302 O SER A 23 10.424 3.822 0.481 1.00 0.00 O ATOM 303 CB SER A 23 9.782 1.439 2.949 1.00 0.00 C ATOM 304 OG SER A 23 10.101 2.214 4.093 1.00 0.00 O ATOM 0 H SER A 23 12.092 0.524 2.630 1.00 0.00 H new ATOM 0 HA SER A 23 10.284 1.349 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.737 1.594 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.898 0.380 3.179 1.00 0.00 H new ATOM 0 HG SER A 23 9.513 1.960 4.835 1.00 0.00 H new ATOM 310 N GLU A 24 10.993 4.047 2.646 1.00 0.00 N ATOM 311 CA GLU A 24 11.035 5.504 2.597 1.00 0.00 C ATOM 312 C GLU A 24 11.909 5.985 1.442 1.00 0.00 C ATOM 313 O GLU A 24 11.494 6.824 0.643 1.00 0.00 O ATOM 314 CB GLU A 24 11.563 6.067 3.918 1.00 0.00 C ATOM 315 CG GLU A 24 10.631 5.832 5.096 1.00 0.00 C ATOM 316 CD GLU A 24 11.217 6.315 6.408 1.00 0.00 C ATOM 317 OE1 GLU A 24 12.156 5.664 6.913 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.736 7.342 6.931 1.00 0.00 O ATOM 0 H GLU A 24 11.216 3.649 3.558 1.00 0.00 H new ATOM 0 HA GLU A 24 10.019 5.865 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.531 5.615 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.730 7.138 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.686 6.343 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.408 4.768 5.172 1.00 0.00 H new ATOM 325 N GLN A 25 13.121 5.445 1.360 1.00 0.00 N ATOM 326 CA GLN A 25 14.054 5.819 0.304 1.00 0.00 C ATOM 327 C GLN A 25 13.365 5.821 -1.056 1.00 0.00 C ATOM 328 O GLN A 25 13.546 6.742 -1.855 1.00 0.00 O ATOM 329 CB GLN A 25 15.245 4.859 0.284 1.00 0.00 C ATOM 330 CG GLN A 25 16.530 5.495 -0.222 1.00 0.00 C ATOM 331 CD GLN A 25 16.858 6.793 0.490 1.00 0.00 C ATOM 332 OE1 GLN A 25 16.643 6.924 1.696 1.00 0.00 O ATOM 333 NE2 GLN A 25 17.383 7.760 -0.254 1.00 0.00 N ATOM 0 H GLN A 25 13.479 4.747 2.012 1.00 0.00 H new ATOM 0 HA GLN A 25 14.412 6.828 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.410 4.477 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.001 4.003 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.354 4.794 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.441 5.684 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.544 7.607 -1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.625 8.655 0.170 1.00 0.00 H new ATOM 342 N LEU A 26 12.572 4.786 -1.314 1.00 0.00 N ATOM 343 CA LEU A 26 11.855 4.668 -2.578 1.00 0.00 C ATOM 344 C LEU A 26 10.799 5.761 -2.708 1.00 0.00 C ATOM 345 O LEU A 26 10.860 6.593 -3.615 1.00 0.00 O ATOM 346 CB LEU A 26 11.197 3.291 -2.687 1.00 0.00 C ATOM 347 CG LEU A 26 12.143 2.091 -2.645 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.357 0.798 -2.489 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.003 2.045 -3.898 1.00 0.00 C ATOM 0 H LEU A 26 12.410 4.017 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 26 12.574 4.785 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.477 3.189 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.634 3.252 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 26 12.800 2.201 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.046 -0.046 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.785 0.830 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.676 0.682 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.670 1.184 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.363 1.959 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.594 2.958 -3.968 1.00 0.00 H new ATOM 361 N LEU A 27 9.832 5.753 -1.798 1.00 0.00 N ATOM 362 CA LEU A 27 8.762 6.746 -1.810 1.00 0.00 C ATOM 363 C LEU A 27 9.330 8.157 -1.924 1.00 0.00 C ATOM 364 O LEU A 27 8.657 9.071 -2.402 1.00 0.00 O ATOM 365 CB LEU A 27 7.915 6.626 -0.542 1.00 0.00 C ATOM 366 CG LEU A 27 6.764 5.621 -0.596 1.00 0.00 C ATOM 367 CD1 LEU A 27 5.991 5.764 -1.898 1.00 0.00 C ATOM 368 CD2 LEU A 27 7.288 4.202 -0.439 1.00 0.00 C ATOM 0 H LEU A 27 9.766 5.071 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 27 8.133 6.556 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.571 6.353 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.503 7.608 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 27 6.085 5.830 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.176 5.041 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.583 6.772 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.659 5.582 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.455 3.500 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.988 3.982 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.797 4.106 0.520 1.00 0.00 H new ATOM 380 N ARG A 28 10.573 8.327 -1.484 1.00 0.00 N ATOM 381 CA ARG A 28 11.231 9.626 -1.538 1.00 0.00 C ATOM 382 C ARG A 28 11.809 9.886 -2.926 1.00 0.00 C ATOM 383 O ARG A 28 11.446 10.859 -3.587 1.00 0.00 O ATOM 384 CB ARG A 28 12.342 9.702 -0.489 1.00 0.00 C ATOM 385 CG ARG A 28 11.871 10.218 0.861 1.00 0.00 C ATOM 386 CD ARG A 28 12.951 10.069 1.922 1.00 0.00 C ATOM 387 NE ARG A 28 13.844 11.225 1.959 1.00 0.00 N ATOM 388 CZ ARG A 28 14.989 11.245 2.633 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.377 10.181 3.322 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.748 12.334 2.618 1.00 0.00 N ATOM 0 H ARG A 28 11.144 7.581 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 28 10.485 10.392 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.775 8.710 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.136 10.350 -0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.589 11.267 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.979 9.673 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.485 9.940 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.532 9.168 1.724 1.00 0.00 H new ATOM 0 HE ARG A 28 13.574 12.061 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.796 9.343 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.257 10.200 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.452 13.155 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.627 12.350 3.135 1.00 0.00 H new ATOM 404 N GLN A 29 12.709 9.010 -3.360 1.00 0.00 N ATOM 405 CA GLN A 29 13.337 9.146 -4.668 1.00 0.00 C ATOM 406 C GLN A 29 12.289 9.354 -5.757 1.00 0.00 C ATOM 407 O GLN A 29 12.478 10.158 -6.670 1.00 0.00 O ATOM 408 CB GLN A 29 14.178 7.908 -4.985 1.00 0.00 C ATOM 409 CG GLN A 29 13.403 6.813 -5.699 1.00 0.00 C ATOM 410 CD GLN A 29 14.254 5.591 -5.990 1.00 0.00 C ATOM 411 OE1 GLN A 29 14.692 4.911 -4.937 1.00 0.00 O flip ATOM 412 NE2 GLN A 29 14.513 5.261 -7.148 1.00 0.00 N flip ATOM 0 H GLN A 29 13.019 8.199 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 29 13.986 10.021 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.026 8.203 -5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.584 7.508 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.549 6.520 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.005 7.206 -6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.155 5.813 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.085 4.436 -7.327 1.00 0.00 H new ATOM 421 N LYS A 30 11.183 8.626 -5.653 1.00 0.00 N ATOM 422 CA LYS A 30 10.104 8.730 -6.627 1.00 0.00 C ATOM 423 C LYS A 30 9.613 10.170 -6.743 1.00 0.00 C ATOM 424 O LYS A 30 9.568 10.735 -7.835 1.00 0.00 O ATOM 425 CB LYS A 30 8.942 7.815 -6.232 1.00 0.00 C ATOM 426 CG LYS A 30 7.934 7.596 -7.348 1.00 0.00 C ATOM 427 CD LYS A 30 8.519 6.755 -8.471 1.00 0.00 C ATOM 428 CE LYS A 30 8.773 5.325 -8.020 1.00 0.00 C ATOM 429 NZ LYS A 30 10.143 5.154 -7.462 1.00 0.00 N ATOM 0 H LYS A 30 11.010 7.957 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 30 10.492 8.417 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.341 6.850 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.430 8.243 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.048 7.104 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.612 8.560 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.836 6.754 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.453 7.201 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.037 5.046 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.638 4.649 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.689 4.512 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.618 6.078 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.080 4.752 -6.505 1.00 0.00 H new ATOM 443 N GLY A 31 9.248 10.759 -5.608 1.00 0.00 N ATOM 444 CA GLY A 31 8.767 12.128 -5.606 1.00 0.00 C ATOM 445 C GLY A 31 7.361 12.251 -6.159 1.00 0.00 C ATOM 446 O GLY A 31 6.947 13.326 -6.592 1.00 0.00 O ATOM 0 H GLY A 31 9.277 10.313 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.788 12.516 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.442 12.747 -6.197 1.00 0.00 H new ATOM 450 N LYS A 32 6.624 11.146 -6.147 1.00 0.00 N ATOM 451 CA LYS A 32 5.257 11.132 -6.653 1.00 0.00 C ATOM 452 C LYS A 32 4.252 11.207 -5.508 1.00 0.00 C ATOM 453 O LYS A 32 4.130 10.274 -4.715 1.00 0.00 O ATOM 454 CB LYS A 32 5.009 9.868 -7.479 1.00 0.00 C ATOM 455 CG LYS A 32 5.640 9.911 -8.860 1.00 0.00 C ATOM 456 CD LYS A 32 4.682 10.481 -9.893 1.00 0.00 C ATOM 457 CE LYS A 32 4.551 11.991 -9.758 1.00 0.00 C ATOM 458 NZ LYS A 32 3.457 12.371 -8.823 1.00 0.00 N ATOM 0 H LYS A 32 6.951 10.247 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 32 5.124 12.007 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.400 9.007 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.935 9.718 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.545 10.517 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.939 8.906 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.035 10.233 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.702 10.018 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.494 12.407 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.359 12.428 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.660 12.764 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.140 11.530 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.806 13.085 -8.152 1.00 0.00 H new ATOM 472 N GLU A 33 3.535 12.324 -5.428 1.00 0.00 N ATOM 473 CA GLU A 33 2.541 12.519 -4.379 1.00 0.00 C ATOM 474 C GLU A 33 1.461 11.443 -4.445 1.00 0.00 C ATOM 475 O GLU A 33 0.926 11.152 -5.512 1.00 0.00 O ATOM 476 CB GLU A 33 1.904 13.905 -4.500 1.00 0.00 C ATOM 477 CG GLU A 33 2.857 15.044 -4.177 1.00 0.00 C ATOM 478 CD GLU A 33 4.122 15.001 -5.011 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.061 15.378 -6.201 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.173 14.590 -4.476 1.00 0.00 O ATOM 0 H GLU A 33 3.624 13.106 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 33 3.047 12.442 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.527 14.035 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.045 13.960 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.350 15.995 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.121 15.003 -3.120 1.00 0.00 H new ATOM 487 N GLY A 34 1.147 10.856 -3.294 1.00 0.00 N ATOM 488 CA GLY A 34 0.134 9.819 -3.242 1.00 0.00 C ATOM 489 C GLY A 34 0.685 8.452 -3.597 1.00 0.00 C ATOM 490 O GLY A 34 -0.035 7.455 -3.555 1.00 0.00 O ATOM 0 H GLY A 34 1.577 11.081 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.296 9.785 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.675 10.071 -3.928 1.00 0.00 H new ATOM 494 N ALA A 35 1.966 8.405 -3.951 1.00 0.00 N ATOM 495 CA ALA A 35 2.612 7.150 -4.315 1.00 0.00 C ATOM 496 C ALA A 35 2.225 6.034 -3.352 1.00 0.00 C ATOM 497 O ALA A 35 1.972 6.278 -2.172 1.00 0.00 O ATOM 498 CB ALA A 35 4.123 7.325 -4.344 1.00 0.00 C ATOM 0 H ALA A 35 2.576 9.221 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 35 2.270 6.869 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.593 6.380 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.387 8.087 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.473 7.633 -3.359 1.00 0.00 H new ATOM 504 N PHE A 36 2.181 4.807 -3.862 1.00 0.00 N ATOM 505 CA PHE A 36 1.823 3.653 -3.046 1.00 0.00 C ATOM 506 C PHE A 36 2.593 2.413 -3.491 1.00 0.00 C ATOM 507 O PHE A 36 3.061 2.335 -4.627 1.00 0.00 O ATOM 508 CB PHE A 36 0.318 3.389 -3.131 1.00 0.00 C ATOM 509 CG PHE A 36 -0.073 2.501 -4.278 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.156 3.006 -5.565 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.353 1.160 -4.068 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.516 2.192 -6.622 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.714 0.341 -5.122 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.794 0.857 -6.401 1.00 0.00 C ATOM 0 H PHE A 36 2.389 4.587 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 36 2.089 3.874 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.016 2.933 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.205 4.341 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.063 4.048 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.289 0.750 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.580 2.599 -7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.933 -0.702 -4.945 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.073 0.218 -7.226 1.00 0.00 H new ATOM 524 N MET A 37 2.721 1.447 -2.587 1.00 0.00 N ATOM 525 CA MET A 37 3.433 0.210 -2.887 1.00 0.00 C ATOM 526 C MET A 37 2.953 -0.925 -1.988 1.00 0.00 C ATOM 527 O MET A 37 2.116 -0.722 -1.108 1.00 0.00 O ATOM 528 CB MET A 37 4.940 0.411 -2.714 1.00 0.00 C ATOM 529 CG MET A 37 5.348 0.758 -1.292 1.00 0.00 C ATOM 530 SD MET A 37 7.002 0.170 -0.878 1.00 0.00 S ATOM 531 CE MET A 37 7.929 0.741 -2.301 1.00 0.00 C ATOM 0 H MET A 37 2.341 1.497 -1.642 1.00 0.00 H new ATOM 0 HA MET A 37 3.225 -0.059 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.457 -0.499 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.271 1.206 -3.382 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.308 1.839 -1.161 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.629 0.326 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.478 -0.094 -2.736 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.242 1.150 -3.042 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.631 1.515 -1.991 1.00 0.00 H new ATOM 541 N VAL A 38 3.488 -2.121 -2.215 1.00 0.00 N ATOM 542 CA VAL A 38 3.114 -3.288 -1.426 1.00 0.00 C ATOM 543 C VAL A 38 4.330 -4.153 -1.115 1.00 0.00 C ATOM 544 O VAL A 38 5.106 -4.496 -2.008 1.00 0.00 O ATOM 545 CB VAL A 38 2.061 -4.144 -2.154 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.869 -5.475 -1.441 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.743 -3.392 -2.259 1.00 0.00 C ATOM 0 H VAL A 38 4.182 -2.306 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 38 2.688 -2.917 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 38 2.418 -4.347 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.121 -6.066 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.814 -6.018 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.534 -5.296 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.011 -4.012 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.378 -3.157 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.895 -2.468 -2.817 1.00 0.00 H new ATOM 557 N ARG A 39 4.491 -4.503 0.157 1.00 0.00 N ATOM 558 CA ARG A 39 5.613 -5.328 0.587 1.00 0.00 C ATOM 559 C ARG A 39 5.124 -6.574 1.318 1.00 0.00 C ATOM 560 O ARG A 39 3.921 -6.797 1.449 1.00 0.00 O ATOM 561 CB ARG A 39 6.546 -4.525 1.495 1.00 0.00 C ATOM 562 CG ARG A 39 5.855 -3.944 2.718 1.00 0.00 C ATOM 563 CD ARG A 39 6.784 -3.031 3.503 1.00 0.00 C ATOM 564 NE ARG A 39 7.588 -3.772 4.471 1.00 0.00 N ATOM 565 CZ ARG A 39 8.138 -3.218 5.546 1.00 0.00 C ATOM 566 NH1 ARG A 39 7.969 -1.926 5.789 1.00 0.00 N ATOM 567 NH2 ARG A 39 8.857 -3.957 6.380 1.00 0.00 N ATOM 0 H ARG A 39 3.858 -4.228 0.908 1.00 0.00 H new ATOM 0 HA ARG A 39 6.162 -5.641 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.363 -5.168 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.990 -3.713 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.972 -3.386 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.510 -4.754 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.442 -2.503 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.196 -2.275 4.023 1.00 0.00 H new ATOM 0 HE ARG A 39 7.735 -4.769 4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.416 -1.355 5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.392 -1.503 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.988 -4.952 6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.279 -3.531 7.205 1.00 0.00 H new ATOM 581 N ASN A 40 6.065 -7.385 1.791 1.00 0.00 N ATOM 582 CA ASN A 40 5.729 -8.610 2.509 1.00 0.00 C ATOM 583 C ASN A 40 5.813 -8.398 4.017 1.00 0.00 C ATOM 584 O ASN A 40 6.766 -7.800 4.518 1.00 0.00 O ATOM 585 CB ASN A 40 6.666 -9.744 2.089 1.00 0.00 C ATOM 586 CG ASN A 40 6.446 -10.174 0.651 1.00 0.00 C ATOM 587 OD1 ASN A 40 5.386 -10.695 0.303 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.449 -9.957 -0.192 1.00 0.00 N ATOM 0 H ASN A 40 7.066 -7.216 1.690 1.00 0.00 H new ATOM 0 HA ASN A 40 4.704 -8.881 2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.700 -9.423 2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.515 -10.599 2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.359 -10.225 -1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.310 -9.522 0.141 1.00 0.00 H new ATOM 595 N SER A 41 4.811 -8.892 4.735 1.00 0.00 N ATOM 596 CA SER A 41 4.769 -8.754 6.187 1.00 0.00 C ATOM 597 C SER A 41 5.932 -9.497 6.836 1.00 0.00 C ATOM 598 O SER A 41 6.725 -10.149 6.156 1.00 0.00 O ATOM 599 CB SER A 41 3.442 -9.285 6.733 1.00 0.00 C ATOM 600 OG SER A 41 3.266 -8.920 8.091 1.00 0.00 O ATOM 0 H SER A 41 4.016 -9.392 4.336 1.00 0.00 H new ATOM 0 HA SER A 41 4.856 -7.695 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.617 -8.892 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.415 -10.371 6.639 1.00 0.00 H new ATOM 0 HG SER A 41 2.410 -9.270 8.415 1.00 0.00 H new ATOM 606 N SER A 42 6.029 -9.393 8.158 1.00 0.00 N ATOM 607 CA SER A 42 7.097 -10.050 8.901 1.00 0.00 C ATOM 608 C SER A 42 7.041 -11.563 8.708 1.00 0.00 C ATOM 609 O SER A 42 8.043 -12.193 8.370 1.00 0.00 O ATOM 610 CB SER A 42 6.996 -9.710 10.389 1.00 0.00 C ATOM 611 OG SER A 42 7.429 -8.384 10.639 1.00 0.00 O ATOM 0 H SER A 42 5.380 -8.859 8.736 1.00 0.00 H new ATOM 0 HA SER A 42 8.050 -9.687 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.965 -9.829 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.601 -10.409 10.967 1.00 0.00 H new ATOM 0 HG SER A 42 7.353 -8.190 11.597 1.00 0.00 H new ATOM 617 N GLN A 43 5.863 -12.137 8.926 1.00 0.00 N ATOM 618 CA GLN A 43 5.676 -13.576 8.778 1.00 0.00 C ATOM 619 C GLN A 43 4.916 -13.896 7.495 1.00 0.00 C ATOM 620 O GLN A 43 4.101 -13.100 7.028 1.00 0.00 O ATOM 621 CB GLN A 43 4.925 -14.141 9.984 1.00 0.00 C ATOM 622 CG GLN A 43 5.807 -14.359 11.203 1.00 0.00 C ATOM 623 CD GLN A 43 5.037 -14.264 12.505 1.00 0.00 C ATOM 624 OE1 GLN A 43 4.458 -13.224 12.823 1.00 0.00 O ATOM 625 NE2 GLN A 43 5.026 -15.351 13.267 1.00 0.00 N ATOM 0 H GLN A 43 5.024 -11.629 9.206 1.00 0.00 H new ATOM 0 HA GLN A 43 6.660 -14.041 8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.116 -13.461 10.249 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.466 -15.089 9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.278 -15.339 11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.608 -13.620 11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.519 -16.191 12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.524 -15.346 14.155 1.00 0.00 H new ATOM 634 N VAL A 44 5.189 -15.068 6.928 1.00 0.00 N ATOM 635 CA VAL A 44 4.529 -15.495 5.700 1.00 0.00 C ATOM 636 C VAL A 44 3.034 -15.695 5.918 1.00 0.00 C ATOM 637 O VAL A 44 2.619 -16.569 6.678 1.00 0.00 O ATOM 638 CB VAL A 44 5.138 -16.803 5.161 1.00 0.00 C ATOM 639 CG1 VAL A 44 4.426 -17.240 3.890 1.00 0.00 C ATOM 640 CG2 VAL A 44 6.630 -16.634 4.915 1.00 0.00 C ATOM 0 H VAL A 44 5.862 -15.738 7.300 1.00 0.00 H new ATOM 0 HA VAL A 44 4.682 -14.702 4.968 1.00 0.00 H new ATOM 0 HB VAL A 44 5.002 -17.582 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.870 -18.166 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.370 -17.404 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.527 -16.464 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.044 -17.568 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.791 -15.841 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.125 -16.372 5.850 1.00 0.00 H new ATOM 650 N GLY A 45 2.228 -14.878 5.247 1.00 0.00 N ATOM 651 CA GLY A 45 0.786 -14.982 5.381 1.00 0.00 C ATOM 652 C GLY A 45 0.084 -13.662 5.136 1.00 0.00 C ATOM 653 O GLY A 45 -0.805 -13.572 4.290 1.00 0.00 O ATOM 0 H GLY A 45 2.548 -14.146 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.412 -15.725 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.542 -15.339 6.381 1.00 0.00 H new ATOM 657 N MET A 46 0.483 -12.634 5.878 1.00 0.00 N ATOM 658 CA MET A 46 -0.114 -11.312 5.737 1.00 0.00 C ATOM 659 C MET A 46 0.757 -10.411 4.867 1.00 0.00 C ATOM 660 O MET A 46 1.807 -10.830 4.381 1.00 0.00 O ATOM 661 CB MET A 46 -0.319 -10.672 7.111 1.00 0.00 C ATOM 662 CG MET A 46 -1.455 -11.292 7.908 1.00 0.00 C ATOM 663 SD MET A 46 -1.984 -10.255 9.285 1.00 0.00 S ATOM 664 CE MET A 46 -3.576 -10.984 9.664 1.00 0.00 C ATOM 0 H MET A 46 1.218 -12.692 6.583 1.00 0.00 H new ATOM 0 HA MET A 46 -1.083 -11.429 5.251 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.604 -10.758 7.684 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.516 -9.608 6.981 1.00 0.00 H new ATOM 0 HG2 MET A 46 -2.303 -11.471 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.138 -12.263 8.290 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.185 -10.264 10.211 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.081 -11.256 8.737 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.432 -11.876 10.274 1.00 0.00 H new ATOM 674 N TYR A 47 0.315 -9.173 4.676 1.00 0.00 N ATOM 675 CA TYR A 47 1.054 -8.215 3.864 1.00 0.00 C ATOM 676 C TYR A 47 1.033 -6.829 4.502 1.00 0.00 C ATOM 677 O TYR A 47 0.248 -6.562 5.412 1.00 0.00 O ATOM 678 CB TYR A 47 0.463 -8.148 2.453 1.00 0.00 C ATOM 679 CG TYR A 47 0.570 -9.449 1.691 1.00 0.00 C ATOM 680 CD1 TYR A 47 -0.317 -10.492 1.929 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.557 -9.635 0.731 1.00 0.00 C ATOM 682 CE1 TYR A 47 -0.222 -11.681 1.235 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.658 -10.822 0.030 1.00 0.00 C ATOM 684 CZ TYR A 47 0.766 -11.842 0.287 1.00 0.00 C ATOM 685 OH TYR A 47 0.863 -13.026 -0.408 1.00 0.00 O ATOM 0 H TYR A 47 -0.552 -8.810 5.073 1.00 0.00 H new ATOM 0 HA TYR A 47 2.089 -8.551 3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.586 -7.861 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.972 -7.365 1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.094 -10.370 2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.258 -8.838 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.919 -12.482 1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.430 -10.950 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 47 1.611 -12.975 -1.039 1.00 0.00 H new ATOM 695 N THR A 48 1.902 -5.948 4.016 1.00 0.00 N ATOM 696 CA THR A 48 1.985 -4.590 4.538 1.00 0.00 C ATOM 697 C THR A 48 1.952 -3.565 3.410 1.00 0.00 C ATOM 698 O THR A 48 2.788 -3.593 2.506 1.00 0.00 O ATOM 699 CB THR A 48 3.269 -4.384 5.365 1.00 0.00 C ATOM 700 OG1 THR A 48 3.199 -5.146 6.575 1.00 0.00 O ATOM 701 CG2 THR A 48 3.466 -2.912 5.699 1.00 0.00 C ATOM 0 H THR A 48 2.558 -6.151 3.262 1.00 0.00 H new ATOM 0 HA THR A 48 1.118 -4.445 5.183 1.00 0.00 H new ATOM 0 HB THR A 48 4.117 -4.723 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.019 -5.011 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.378 -2.790 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.546 -2.337 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.615 -2.553 6.277 1.00 0.00 H new ATOM 709 N VAL A 49 0.981 -2.659 3.468 1.00 0.00 N ATOM 710 CA VAL A 49 0.840 -1.623 2.452 1.00 0.00 C ATOM 711 C VAL A 49 1.484 -0.317 2.905 1.00 0.00 C ATOM 712 O VAL A 49 0.982 0.354 3.807 1.00 0.00 O ATOM 713 CB VAL A 49 -0.642 -1.363 2.118 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.767 -0.294 1.044 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.323 -2.651 1.680 1.00 0.00 C ATOM 0 H VAL A 49 0.280 -2.622 4.208 1.00 0.00 H new ATOM 0 HA VAL A 49 1.349 -1.985 1.558 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.141 -1.002 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.820 -0.124 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.317 0.633 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.254 -0.624 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.369 -2.449 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.824 -3.043 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.265 -3.385 2.484 1.00 0.00 H new ATOM 725 N SER A 50 2.597 0.037 2.272 1.00 0.00 N ATOM 726 CA SER A 50 3.313 1.262 2.613 1.00 0.00 C ATOM 727 C SER A 50 3.170 2.300 1.504 1.00 0.00 C ATOM 728 O SER A 50 3.793 2.187 0.447 1.00 0.00 O ATOM 729 CB SER A 50 4.793 0.961 2.858 1.00 0.00 C ATOM 730 OG SER A 50 4.961 0.100 3.972 1.00 0.00 O ATOM 0 H SER A 50 3.023 -0.506 1.521 1.00 0.00 H new ATOM 0 HA SER A 50 2.876 1.668 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.225 0.500 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.333 1.892 3.029 1.00 0.00 H new ATOM 0 HG SER A 50 4.995 0.632 4.794 1.00 0.00 H new ATOM 736 N LEU A 51 2.346 3.311 1.753 1.00 0.00 N ATOM 737 CA LEU A 51 2.119 4.371 0.776 1.00 0.00 C ATOM 738 C LEU A 51 2.591 5.718 1.316 1.00 0.00 C ATOM 739 O LEU A 51 2.545 5.967 2.521 1.00 0.00 O ATOM 740 CB LEU A 51 0.635 4.448 0.411 1.00 0.00 C ATOM 741 CG LEU A 51 -0.244 5.283 1.343 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.150 6.758 0.984 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.688 4.808 1.282 1.00 0.00 C ATOM 0 H LEU A 51 1.824 3.420 2.622 1.00 0.00 H new ATOM 0 HA LEU A 51 2.695 4.135 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.550 4.855 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.236 3.434 0.380 1.00 0.00 H new ATOM 0 HG LEU A 51 0.116 5.154 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.782 7.337 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.884 7.091 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.484 6.905 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.299 5.414 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.061 4.906 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.741 3.763 1.588 1.00 0.00 H new ATOM 755 N PHE A 52 3.042 6.585 0.415 1.00 0.00 N ATOM 756 CA PHE A 52 3.522 7.907 0.799 1.00 0.00 C ATOM 757 C PHE A 52 2.414 8.948 0.663 1.00 0.00 C ATOM 758 O PHE A 52 1.582 8.870 -0.240 1.00 0.00 O ATOM 759 CB PHE A 52 4.722 8.307 -0.060 1.00 0.00 C ATOM 760 CG PHE A 52 4.984 9.786 -0.073 1.00 0.00 C ATOM 761 CD1 PHE A 52 4.205 10.635 -0.844 1.00 0.00 C ATOM 762 CD2 PHE A 52 6.009 10.329 0.687 1.00 0.00 C ATOM 763 CE1 PHE A 52 4.445 11.995 -0.857 1.00 0.00 C ATOM 764 CE2 PHE A 52 6.252 11.689 0.677 1.00 0.00 C ATOM 765 CZ PHE A 52 5.468 12.524 -0.095 1.00 0.00 C ATOM 0 H PHE A 52 3.085 6.395 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 52 3.831 7.865 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.610 7.792 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.557 7.966 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.402 10.229 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.624 9.681 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.832 12.645 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.054 12.099 1.272 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.655 13.588 -0.103 1.00 0.00 H new ATOM 775 N SER A 53 2.411 9.922 1.567 1.00 0.00 N ATOM 776 CA SER A 53 1.405 10.977 1.551 1.00 0.00 C ATOM 777 C SER A 53 1.989 12.293 2.055 1.00 0.00 C ATOM 778 O SER A 53 2.917 12.306 2.864 1.00 0.00 O ATOM 779 CB SER A 53 0.203 10.577 2.409 1.00 0.00 C ATOM 780 OG SER A 53 -0.964 11.275 2.009 1.00 0.00 O ATOM 0 H SER A 53 3.094 10.002 2.320 1.00 0.00 H new ATOM 0 HA SER A 53 1.077 11.117 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.035 9.503 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.415 10.787 3.457 1.00 0.00 H new ATOM 0 HG SER A 53 -1.621 11.258 2.736 1.00 0.00 H new ATOM 786 N LYS A 54 1.438 13.402 1.573 1.00 0.00 N ATOM 787 CA LYS A 54 1.901 14.725 1.974 1.00 0.00 C ATOM 788 C LYS A 54 0.751 15.559 2.527 1.00 0.00 C ATOM 789 O LYS A 54 -0.265 15.753 1.860 1.00 0.00 O ATOM 790 CB LYS A 54 2.542 15.445 0.785 1.00 0.00 C ATOM 791 CG LYS A 54 3.303 16.701 1.174 1.00 0.00 C ATOM 792 CD LYS A 54 4.341 17.070 0.126 1.00 0.00 C ATOM 793 CE LYS A 54 4.577 18.572 0.080 1.00 0.00 C ATOM 794 NZ LYS A 54 3.444 19.291 -0.566 1.00 0.00 N ATOM 0 H LYS A 54 0.669 13.410 0.903 1.00 0.00 H new ATOM 0 HA LYS A 54 2.646 14.600 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.222 14.760 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.764 15.709 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.603 17.527 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.793 16.548 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.279 16.560 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.011 16.722 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.716 18.949 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.497 18.779 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.729 20.268 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.184 18.807 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.627 19.300 0.077 1.00 0.00 H new ATOM 808 N ALA A 55 0.918 16.051 3.750 1.00 0.00 N ATOM 809 CA ALA A 55 -0.105 16.868 4.391 1.00 0.00 C ATOM 810 C ALA A 55 0.343 18.322 4.502 1.00 0.00 C ATOM 811 O ALA A 55 1.434 18.681 4.062 1.00 0.00 O ATOM 812 CB ALA A 55 -0.438 16.311 5.768 1.00 0.00 C ATOM 0 H ALA A 55 1.752 15.898 4.317 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.001 16.837 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.203 16.930 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.808 15.291 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.459 16.312 6.388 1.00 0.00 H new ATOM 818 N VAL A 56 -0.509 19.155 5.092 1.00 0.00 N ATOM 819 CA VAL A 56 -0.201 20.570 5.260 1.00 0.00 C ATOM 820 C VAL A 56 1.022 20.764 6.149 1.00 0.00 C ATOM 821 O VAL A 56 0.898 20.957 7.358 1.00 0.00 O ATOM 822 CB VAL A 56 -1.392 21.335 5.869 1.00 0.00 C ATOM 823 CG1 VAL A 56 -1.085 22.822 5.949 1.00 0.00 C ATOM 824 CG2 VAL A 56 -2.655 21.085 5.058 1.00 0.00 C ATOM 0 H VAL A 56 -1.417 18.874 5.461 1.00 0.00 H new ATOM 0 HA VAL A 56 0.008 20.969 4.267 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.559 20.968 6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.937 23.347 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.206 22.979 6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.891 23.208 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.487 21.633 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.503 21.424 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.882 20.019 5.057 1.00 0.00 H new ATOM 834 N ASN A 57 2.202 20.714 5.541 1.00 0.00 N ATOM 835 CA ASN A 57 3.450 20.884 6.279 1.00 0.00 C ATOM 836 C ASN A 57 3.593 19.817 7.359 1.00 0.00 C ATOM 837 O ASN A 57 3.831 20.128 8.526 1.00 0.00 O ATOM 838 CB ASN A 57 3.506 22.276 6.910 1.00 0.00 C ATOM 839 CG ASN A 57 4.009 23.331 5.943 1.00 0.00 C ATOM 840 OD1 ASN A 57 3.251 23.850 5.124 1.00 0.00 O ATOM 841 ND2 ASN A 57 5.294 23.652 6.035 1.00 0.00 N ATOM 0 H ASN A 57 2.321 20.557 4.540 1.00 0.00 H new ATOM 0 HA ASN A 57 4.277 20.777 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.512 22.553 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.156 22.249 7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.690 24.355 5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.885 23.196 6.730 1.00 0.00 H new ATOM 848 N ASP A 58 3.448 18.557 6.961 1.00 0.00 N ATOM 849 CA ASP A 58 3.564 17.443 7.894 1.00 0.00 C ATOM 850 C ASP A 58 4.857 16.668 7.660 1.00 0.00 C ATOM 851 O ASP A 58 4.837 15.542 7.162 1.00 0.00 O ATOM 852 CB ASP A 58 2.362 16.508 7.757 1.00 0.00 C ATOM 853 CG ASP A 58 1.128 17.042 8.457 1.00 0.00 C ATOM 854 OD1 ASP A 58 0.840 18.249 8.312 1.00 0.00 O ATOM 855 OD2 ASP A 58 0.451 16.254 9.148 1.00 0.00 O ATOM 0 H ASP A 58 3.250 18.282 5.999 1.00 0.00 H new ATOM 0 HA ASP A 58 3.585 17.850 8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.140 16.359 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.616 15.532 8.170 1.00 0.00 H new ATOM 860 N LYS A 59 5.980 17.280 8.018 1.00 0.00 N ATOM 861 CA LYS A 59 7.284 16.648 7.846 1.00 0.00 C ATOM 862 C LYS A 59 7.644 16.536 6.368 1.00 0.00 C ATOM 863 O LYS A 59 8.191 15.525 5.927 1.00 0.00 O ATOM 864 CB LYS A 59 7.290 15.261 8.491 1.00 0.00 C ATOM 865 CG LYS A 59 8.684 14.694 8.703 1.00 0.00 C ATOM 866 CD LYS A 59 9.300 15.200 9.996 1.00 0.00 C ATOM 867 CE LYS A 59 10.597 14.472 10.317 1.00 0.00 C ATOM 868 NZ LYS A 59 11.455 15.255 11.249 1.00 0.00 N ATOM 0 H LYS A 59 6.014 18.213 8.429 1.00 0.00 H new ATOM 0 HA LYS A 59 8.030 17.273 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.779 15.314 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.720 14.576 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.636 13.605 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.322 14.969 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.492 16.270 9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.593 15.065 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.369 13.503 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.144 14.280 9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.329 14.726 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.693 16.170 10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.943 15.417 12.140 1.00 0.00 H new ATOM 882 N LYS A 60 7.334 17.581 5.608 1.00 0.00 N ATOM 883 CA LYS A 60 7.626 17.601 4.179 1.00 0.00 C ATOM 884 C LYS A 60 7.443 16.218 3.566 1.00 0.00 C ATOM 885 O LYS A 60 8.239 15.786 2.735 1.00 0.00 O ATOM 886 CB LYS A 60 9.056 18.092 3.939 1.00 0.00 C ATOM 887 CG LYS A 60 10.121 17.122 4.419 1.00 0.00 C ATOM 888 CD LYS A 60 11.399 17.251 3.608 1.00 0.00 C ATOM 889 CE LYS A 60 12.447 16.243 4.055 1.00 0.00 C ATOM 890 NZ LYS A 60 13.053 16.615 5.363 1.00 0.00 N ATOM 0 H LYS A 60 6.881 18.425 5.958 1.00 0.00 H new ATOM 0 HA LYS A 60 6.926 18.286 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.195 18.273 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.193 19.048 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.336 17.308 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.744 16.102 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.177 17.102 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.796 18.261 3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.991 15.256 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.229 16.173 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.762 15.903 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.510 17.545 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.311 16.657 6.090 1.00 0.00 H new ATOM 904 N GLY A 61 6.385 15.527 3.982 1.00 0.00 N ATOM 905 CA GLY A 61 6.116 14.198 3.462 1.00 0.00 C ATOM 906 C GLY A 61 6.406 13.109 4.475 1.00 0.00 C ATOM 907 O GLY A 61 7.486 13.071 5.065 1.00 0.00 O ATOM 0 H GLY A 61 5.710 15.863 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.072 14.136 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.721 14.031 2.571 1.00 0.00 H new ATOM 911 N THR A 62 5.440 12.219 4.679 1.00 0.00 N ATOM 912 CA THR A 62 5.596 11.124 5.629 1.00 0.00 C ATOM 913 C THR A 62 5.115 9.807 5.034 1.00 0.00 C ATOM 914 O THR A 62 4.096 9.761 4.343 1.00 0.00 O ATOM 915 CB THR A 62 4.824 11.399 6.933 1.00 0.00 C ATOM 916 OG1 THR A 62 5.079 12.735 7.382 1.00 0.00 O ATOM 917 CG2 THR A 62 5.224 10.410 8.017 1.00 0.00 C ATOM 0 H THR A 62 4.540 12.235 4.199 1.00 0.00 H new ATOM 0 HA THR A 62 6.660 11.049 5.854 1.00 0.00 H new ATOM 0 HB THR A 62 3.759 11.282 6.730 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.612 13.370 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.666 10.624 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.001 9.396 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.292 10.500 8.216 1.00 0.00 H new ATOM 925 N VAL A 63 5.852 8.735 5.306 1.00 0.00 N ATOM 926 CA VAL A 63 5.499 7.414 4.798 1.00 0.00 C ATOM 927 C VAL A 63 4.676 6.636 5.819 1.00 0.00 C ATOM 928 O VAL A 63 5.088 6.469 6.968 1.00 0.00 O ATOM 929 CB VAL A 63 6.754 6.598 4.438 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.365 5.293 3.759 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.682 7.414 3.550 1.00 0.00 C ATOM 0 H VAL A 63 6.698 8.755 5.876 1.00 0.00 H new ATOM 0 HA VAL A 63 4.905 7.569 3.897 1.00 0.00 H new ATOM 0 HB VAL A 63 7.287 6.357 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.265 4.729 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.741 4.704 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.810 5.509 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.564 6.823 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.161 7.686 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.987 8.319 4.076 1.00 0.00 H new ATOM 941 N LYS A 64 3.512 6.160 5.392 1.00 0.00 N ATOM 942 CA LYS A 64 2.630 5.397 6.267 1.00 0.00 C ATOM 943 C LYS A 64 2.800 3.898 6.038 1.00 0.00 C ATOM 944 O LYS A 64 3.199 3.467 4.956 1.00 0.00 O ATOM 945 CB LYS A 64 1.172 5.797 6.031 1.00 0.00 C ATOM 946 CG LYS A 64 0.734 7.006 6.839 1.00 0.00 C ATOM 947 CD LYS A 64 1.082 8.305 6.132 1.00 0.00 C ATOM 948 CE LYS A 64 0.767 9.514 7.000 1.00 0.00 C ATOM 949 NZ LYS A 64 1.627 9.564 8.214 1.00 0.00 N ATOM 0 H LYS A 64 3.157 6.289 4.445 1.00 0.00 H new ATOM 0 HA LYS A 64 2.900 5.622 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.029 6.008 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.528 4.953 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.342 6.960 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.213 6.984 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.141 8.307 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.526 8.372 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.907 10.425 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.281 9.484 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.569 10.510 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.301 8.853 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.613 9.364 7.950 1.00 0.00 H new ATOM 963 N HIS A 65 2.494 3.109 7.063 1.00 0.00 N ATOM 964 CA HIS A 65 2.611 1.658 6.972 1.00 0.00 C ATOM 965 C HIS A 65 1.348 0.978 7.489 1.00 0.00 C ATOM 966 O HIS A 65 1.041 1.039 8.680 1.00 0.00 O ATOM 967 CB HIS A 65 3.827 1.173 7.763 1.00 0.00 C ATOM 968 CG HIS A 65 5.135 1.595 7.170 1.00 0.00 C ATOM 969 ND1 HIS A 65 5.963 0.733 6.481 1.00 0.00 N ATOM 970 CD2 HIS A 65 5.757 2.797 7.162 1.00 0.00 C ATOM 971 CE1 HIS A 65 7.038 1.388 6.079 1.00 0.00 C ATOM 972 NE2 HIS A 65 6.937 2.642 6.479 1.00 0.00 N ATOM 0 H HIS A 65 2.163 3.450 7.966 1.00 0.00 H new ATOM 0 HA HIS A 65 2.741 1.393 5.923 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.761 1.552 8.783 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.800 0.085 7.824 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.392 3.709 7.610 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.860 0.968 5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.624 3.376 6.308 1.00 0.00 H new ATOM 981 N TYR A 66 0.620 0.329 6.587 1.00 0.00 N ATOM 982 CA TYR A 66 -0.612 -0.361 6.952 1.00 0.00 C ATOM 983 C TYR A 66 -0.417 -1.874 6.927 1.00 0.00 C ATOM 984 O TYR A 66 0.250 -2.411 6.042 1.00 0.00 O ATOM 985 CB TYR A 66 -1.744 0.036 6.002 1.00 0.00 C ATOM 986 CG TYR A 66 -2.002 1.524 5.956 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.803 2.139 6.911 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.448 2.315 4.957 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.044 3.499 6.873 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.682 3.676 4.913 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.481 4.264 5.872 1.00 0.00 C ATOM 992 OH TYR A 66 -2.717 5.618 5.829 1.00 0.00 O ATOM 0 H TYR A 66 0.861 0.266 5.598 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.878 -0.065 7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.504 -0.314 4.998 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.658 -0.473 6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.245 1.544 7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.824 1.859 4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.670 3.961 7.623 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.241 4.277 4.131 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.246 6.008 5.063 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.007 -2.556 7.904 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.900 -4.008 7.993 1.00 0.00 C ATOM 1004 C HIS A 67 -2.189 -4.677 7.526 1.00 0.00 C ATOM 1005 O HIS A 67 -3.280 -4.339 7.987 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.585 -4.429 9.430 1.00 0.00 C ATOM 1007 CG HIS A 67 0.521 -3.638 10.057 1.00 0.00 C ATOM 1008 ND1 HIS A 67 0.298 -2.558 10.885 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.865 -3.776 9.974 1.00 0.00 C ATOM 1010 CE1 HIS A 67 1.457 -2.064 11.283 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.424 -2.786 10.745 1.00 0.00 N ATOM 0 H HIS A 67 -1.563 -2.127 8.644 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.088 -4.329 7.341 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.485 -4.324 10.036 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.316 -5.485 9.440 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.398 -4.525 9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.591 -1.215 11.937 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.423 -2.633 10.880 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.057 -5.628 6.607 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.210 -6.346 6.077 1.00 0.00 C ATOM 1022 C VAL A 68 -3.671 -7.433 7.041 1.00 0.00 C ATOM 1023 O VAL A 68 -2.872 -8.248 7.504 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.895 -6.985 4.712 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.064 -7.834 4.237 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.552 -5.913 3.688 1.00 0.00 C ATOM 0 H VAL A 68 -1.162 -5.919 6.214 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.008 -5.614 5.951 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.028 -7.636 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.823 -8.277 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.257 -8.625 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.951 -7.209 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.332 -6.383 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.398 -5.235 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.680 -5.353 4.026 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.966 -7.441 7.339 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.536 -8.430 8.248 1.00 0.00 C ATOM 1038 C HIS A 69 -6.375 -9.450 7.483 1.00 0.00 C ATOM 1039 O HIS A 69 -6.900 -9.159 6.409 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.392 -7.743 9.312 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.764 -6.506 9.878 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -5.043 -6.498 11.054 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.752 -5.232 9.421 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.617 -5.271 11.297 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.032 -4.484 10.321 1.00 0.00 N ATOM 0 H HIS A 69 -5.641 -6.774 6.965 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.715 -8.954 8.737 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.358 -7.485 8.878 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.584 -8.446 10.122 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.221 -4.871 8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.029 -4.964 12.149 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.848 -3.483 10.247 1.00 0.00 H new ATOM 1054 N THR A 70 -6.497 -10.648 8.047 1.00 0.00 N ATOM 1055 CA THR A 70 -7.271 -11.712 7.417 1.00 0.00 C ATOM 1056 C THR A 70 -8.472 -12.098 8.274 1.00 0.00 C ATOM 1057 O THR A 70 -8.388 -12.125 9.501 1.00 0.00 O ATOM 1058 CB THR A 70 -6.408 -12.964 7.170 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.209 -12.602 6.474 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.176 -14.000 6.363 1.00 0.00 C ATOM 0 H THR A 70 -6.071 -10.906 8.937 1.00 0.00 H new ATOM 0 HA THR A 70 -7.619 -11.325 6.459 1.00 0.00 H new ATOM 0 HB THR A 70 -6.150 -13.398 8.136 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.665 -13.403 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.546 -14.875 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.073 -14.294 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.460 -13.574 5.401 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.588 -12.398 7.619 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.807 -12.784 8.321 1.00 0.00 C ATOM 1070 C ASN A 71 -11.080 -14.276 8.157 1.00 0.00 C ATOM 1071 O ASN A 71 -10.548 -14.919 7.253 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.997 -11.976 7.801 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.313 -12.710 7.970 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.697 -13.069 9.084 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.011 -12.937 6.864 1.00 0.00 N ATOM 0 H ASN A 71 -9.674 -12.381 6.603 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.669 -12.573 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.045 -11.024 8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.844 -11.748 6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.904 -13.427 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.654 -12.622 5.962 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.916 -14.819 9.036 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.262 -16.234 8.988 1.00 0.00 C ATOM 1084 C ALA A 72 -12.363 -16.725 7.548 1.00 0.00 C ATOM 1085 O ALA A 72 -11.904 -17.820 7.223 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.570 -16.482 9.725 1.00 0.00 C ATOM 0 H ALA A 72 -12.366 -14.300 9.790 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.468 -16.795 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.817 -17.543 9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.465 -16.176 10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.367 -15.905 9.256 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.966 -15.909 6.689 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.127 -16.263 5.284 1.00 0.00 C ATOM 1094 C GLU A 73 -11.882 -15.892 4.483 1.00 0.00 C ATOM 1095 O GLU A 73 -11.976 -15.440 3.343 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.353 -15.562 4.696 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.674 -16.126 5.190 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.163 -17.289 4.348 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -15.644 -18.411 4.525 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.065 -17.075 3.510 1.00 0.00 O ATOM 0 H GLU A 73 -13.351 -14.999 6.942 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.270 -17.342 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.307 -14.501 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.319 -15.640 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.561 -16.453 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.426 -15.337 5.185 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.716 -16.088 5.090 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.451 -15.773 4.435 1.00 0.00 C ATOM 1109 C ASN A 74 -9.563 -14.482 3.629 1.00 0.00 C ATOM 1110 O ASN A 74 -8.895 -14.314 2.608 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.027 -16.924 3.520 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.852 -18.227 4.275 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -9.816 -18.955 4.513 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -7.615 -18.529 4.654 1.00 0.00 N ATOM 0 H ASN A 74 -10.621 -16.463 6.034 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.694 -15.634 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.775 -17.058 2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.091 -16.665 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.435 -19.394 5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.846 -17.896 4.435 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.410 -13.571 4.095 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.608 -12.294 3.420 1.00 0.00 C ATOM 1123 C LYS A 75 -9.535 -11.290 3.829 1.00 0.00 C ATOM 1124 O LYS A 75 -9.320 -11.045 5.017 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.995 -11.733 3.743 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.109 -12.350 2.916 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.353 -11.479 2.916 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.609 -12.300 2.662 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.844 -11.475 2.786 1.00 0.00 N ATOM 0 H LYS A 75 -10.971 -13.693 4.938 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.532 -12.464 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.206 -11.895 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.988 -10.655 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.765 -12.495 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.354 -13.335 3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.440 -10.967 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.259 -10.709 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.562 -12.737 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.652 -13.127 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.678 -12.069 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.902 -11.079 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.815 -10.700 2.093 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.865 -10.712 2.838 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.815 -9.732 3.095 1.00 0.00 C ATOM 1145 C LEU A 76 -8.369 -8.313 3.044 1.00 0.00 C ATOM 1146 O LEU A 76 -9.311 -8.029 2.303 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.685 -9.887 2.075 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.304 -11.322 1.708 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.693 -11.373 0.316 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.342 -11.898 2.737 1.00 0.00 C ATOM 0 H LEU A 76 -9.030 -10.905 1.850 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.422 -9.912 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.972 -9.364 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.799 -9.386 2.465 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.209 -11.929 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.428 -12.402 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.415 -11.002 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.798 -10.752 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.082 -12.920 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.438 -11.290 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.816 -11.898 3.718 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.779 -7.424 3.835 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.213 -6.033 3.881 1.00 0.00 C ATOM 1164 C TYR A 77 -7.260 -5.191 4.721 1.00 0.00 C ATOM 1165 O TYR A 77 -6.418 -5.722 5.448 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.630 -5.938 4.450 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.803 -6.656 5.769 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -9.549 -6.011 6.973 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.219 -7.982 5.812 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -9.704 -6.663 8.180 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.378 -8.642 7.014 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.119 -7.979 8.196 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.276 -8.632 9.397 1.00 0.00 O ATOM 0 H TYR A 77 -6.998 -7.642 4.454 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.209 -5.645 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.890 -4.888 4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.332 -6.352 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.224 -4.981 6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.421 -8.505 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.502 -6.146 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.703 -9.672 7.029 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.574 -9.551 9.233 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.395 -3.873 4.617 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.546 -2.954 5.368 1.00 0.00 C ATOM 1185 C LEU A 78 -7.339 -2.253 6.466 1.00 0.00 C ATOM 1186 O LEU A 78 -6.766 -1.628 7.357 1.00 0.00 O ATOM 1187 CB LEU A 78 -5.927 -1.918 4.429 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.734 -2.393 3.599 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.477 -1.441 2.440 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.494 -2.521 4.471 1.00 0.00 C ATOM 0 H LEU A 78 -8.085 -3.417 4.020 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.750 -3.534 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.701 -1.566 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.612 -1.060 5.023 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.969 -3.376 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.624 -1.795 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.359 -1.400 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.264 -0.445 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.655 -2.860 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.256 -1.552 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.681 -3.243 5.266 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.662 -2.364 6.396 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.534 -1.744 7.385 1.00 0.00 C ATOM 1204 C ALA A 79 -10.645 -2.698 7.813 1.00 0.00 C ATOM 1205 O ALA A 79 -11.541 -3.010 7.031 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.126 -0.455 6.835 1.00 0.00 C ATOM 0 H ALA A 79 -9.153 -2.878 5.664 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.934 -1.509 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.775 -0.004 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.322 0.238 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.706 -0.674 5.938 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.577 -3.157 9.059 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.577 -4.077 9.588 1.00 0.00 C ATOM 1214 C GLU A 80 -12.985 -3.622 9.216 1.00 0.00 C ATOM 1215 O GLU A 80 -13.877 -4.442 9.005 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.449 -4.184 11.110 1.00 0.00 C ATOM 1217 CG GLU A 80 -10.167 -4.861 11.566 1.00 0.00 C ATOM 1218 CD GLU A 80 -9.917 -4.694 13.053 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -10.019 -3.552 13.548 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -9.620 -5.706 13.721 1.00 0.00 O ATOM 0 H GLU A 80 -9.841 -2.907 9.720 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.402 -5.058 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.495 -3.184 11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.302 -4.739 11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.216 -5.923 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.325 -4.448 11.011 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.175 -2.309 9.139 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.476 -1.745 8.793 1.00 0.00 C ATOM 1229 C ASN A 81 -14.948 -2.259 7.438 1.00 0.00 C ATOM 1230 O ASN A 81 -16.131 -2.547 7.250 1.00 0.00 O ATOM 1231 CB ASN A 81 -14.402 -0.217 8.776 1.00 0.00 C ATOM 1232 CG ASN A 81 -14.194 0.369 10.158 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -13.349 -0.099 10.922 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -14.964 1.399 10.488 1.00 0.00 N ATOM 0 H ASN A 81 -12.447 -1.616 9.311 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.195 -2.059 9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -13.586 0.097 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -15.322 0.183 8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.868 1.834 11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -15.652 1.755 9.824 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.019 -2.373 6.497 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.340 -2.850 5.157 1.00 0.00 C ATOM 1243 C TYR A 82 -13.582 -4.136 4.841 1.00 0.00 C ATOM 1244 O TYR A 82 -12.759 -4.595 5.633 1.00 0.00 O ATOM 1245 CB TYR A 82 -14.007 -1.779 4.117 1.00 0.00 C ATOM 1246 CG TYR A 82 -15.089 -0.736 3.955 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -16.221 -0.993 3.193 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.977 0.509 4.563 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -17.212 -0.042 3.041 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.963 1.466 4.418 1.00 0.00 C ATOM 1251 CZ TYR A 82 -17.078 1.185 3.656 1.00 0.00 C ATOM 1252 OH TYR A 82 -18.062 2.136 3.508 1.00 0.00 O ATOM 0 H TYR A 82 -13.036 -2.141 6.637 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.409 -3.061 5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.078 -1.285 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.831 -2.261 3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.329 -1.953 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.104 0.732 5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -18.086 -0.258 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.861 2.428 4.898 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.814 2.943 4.006 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.867 -4.712 3.678 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.213 -5.945 3.255 1.00 0.00 C ATOM 1264 C CYS A 83 -12.847 -5.886 1.776 1.00 0.00 C ATOM 1265 O CYS A 83 -13.035 -4.862 1.118 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.122 -7.145 3.519 1.00 0.00 C ATOM 1267 SG CYS A 83 -15.649 -7.144 2.550 1.00 0.00 S ATOM 0 H CYS A 83 -14.546 -4.345 3.012 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.296 -6.058 3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.569 -8.060 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.377 -7.168 4.579 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.349 -8.200 2.842 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.320 -6.990 1.257 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.924 -7.065 -0.145 1.00 0.00 C ATOM 1275 C PHE A 84 -11.875 -8.513 -0.620 1.00 0.00 C ATOM 1276 O PHE A 84 -12.183 -9.436 0.134 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.559 -6.404 -0.346 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.560 -4.928 -0.062 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.905 -4.020 -1.049 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.213 -4.451 1.191 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.907 -2.661 -0.791 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.214 -3.094 1.455 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.559 -2.198 0.462 1.00 0.00 C ATOM 0 H PHE A 84 -12.157 -7.846 1.787 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.669 -6.533 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.830 -6.890 0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.232 -6.568 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.176 -4.377 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.939 -5.147 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.180 -1.963 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.945 -2.735 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.556 -1.137 0.665 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.487 -8.704 -1.876 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.398 -10.040 -2.455 1.00 0.00 C ATOM 1295 C ASP A 85 -9.996 -10.617 -2.275 1.00 0.00 C ATOM 1296 O ASP A 85 -9.833 -11.741 -1.801 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.760 -10.001 -3.940 1.00 0.00 C ATOM 1298 CG ASP A 85 -12.043 -11.381 -4.503 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -13.153 -11.903 -4.265 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -11.156 -11.937 -5.181 1.00 0.00 O ATOM 0 H ASP A 85 -11.229 -7.950 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.107 -10.683 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.636 -9.367 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.943 -9.544 -4.498 1.00 0.00 H new ATOM 1305 N SER A 86 -8.989 -9.840 -2.658 1.00 0.00 N ATOM 1306 CA SER A 86 -7.602 -10.275 -2.544 1.00 0.00 C ATOM 1307 C SER A 86 -6.663 -9.077 -2.444 1.00 0.00 C ATOM 1308 O SER A 86 -7.107 -7.930 -2.373 1.00 0.00 O ATOM 1309 CB SER A 86 -7.217 -11.140 -3.745 1.00 0.00 C ATOM 1310 OG SER A 86 -6.205 -12.071 -3.400 1.00 0.00 O ATOM 0 H SER A 86 -9.107 -8.906 -3.050 1.00 0.00 H new ATOM 0 HA SER A 86 -7.506 -10.866 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.095 -11.672 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.868 -10.504 -4.558 1.00 0.00 H new ATOM 0 HG SER A 86 -5.978 -12.613 -4.184 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.363 -9.351 -2.438 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.361 -8.296 -2.348 1.00 0.00 C ATOM 1318 C ILE A 87 -4.503 -7.302 -3.496 1.00 0.00 C ATOM 1319 O ILE A 87 -4.703 -6.105 -3.292 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.933 -8.874 -2.358 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.460 -9.149 -0.929 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.981 -7.919 -3.062 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.312 -7.899 -0.091 1.00 0.00 C ATOM 0 H ILE A 87 -4.979 -10.294 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.530 -7.781 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.942 -9.817 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.168 -9.821 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.502 -9.668 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.976 -8.341 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.311 -7.769 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.973 -6.962 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.974 -8.169 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.582 -7.235 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.274 -7.390 -0.024 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.400 -7.810 -4.734 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.516 -6.984 -5.939 1.00 0.00 C ATOM 1337 C PRO A 88 -5.938 -6.477 -6.160 1.00 0.00 C ATOM 1338 O PRO A 88 -6.147 -5.314 -6.503 1.00 0.00 O ATOM 1339 CB PRO A 88 -4.109 -7.939 -7.064 1.00 0.00 C ATOM 1340 CG PRO A 88 -4.406 -9.299 -6.533 1.00 0.00 C ATOM 1341 CD PRO A 88 -4.161 -9.228 -5.051 1.00 0.00 C ATOM 0 HA PRO A 88 -3.900 -6.087 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.671 -7.739 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.053 -7.832 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.437 -9.584 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.766 -10.048 -6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.837 -9.882 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.145 -9.531 -4.796 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.912 -7.358 -5.960 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.315 -7.000 -6.135 1.00 0.00 C ATOM 1351 C LYS A 89 -8.691 -5.823 -5.241 1.00 0.00 C ATOM 1352 O LYS A 89 -9.629 -5.082 -5.537 1.00 0.00 O ATOM 1353 CB LYS A 89 -9.211 -8.200 -5.821 1.00 0.00 C ATOM 1354 CG LYS A 89 -9.478 -9.092 -7.022 1.00 0.00 C ATOM 1355 CD LYS A 89 -8.254 -9.914 -7.389 1.00 0.00 C ATOM 1356 CE LYS A 89 -8.326 -10.408 -8.825 1.00 0.00 C ATOM 1357 NZ LYS A 89 -7.103 -11.165 -9.212 1.00 0.00 N ATOM 0 H LYS A 89 -6.756 -8.325 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.463 -6.706 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.746 -8.794 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.162 -7.840 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.313 -9.758 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.774 -8.479 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.356 -9.311 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.170 -10.766 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.202 -11.046 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.455 -9.558 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.190 -11.485 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.270 -10.549 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.994 -11.990 -8.588 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.956 -5.656 -4.149 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.211 -4.567 -3.212 1.00 0.00 C ATOM 1373 C LEU A 90 -7.611 -3.260 -3.719 1.00 0.00 C ATOM 1374 O LEU A 90 -8.154 -2.181 -3.480 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.635 -4.905 -1.836 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.333 -3.716 -0.924 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.401 -4.133 0.537 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -5.968 -3.127 -1.250 1.00 0.00 C ATOM 0 H LEU A 90 -7.177 -6.261 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.290 -4.441 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.337 -5.562 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.714 -5.471 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.088 -2.949 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.183 -3.274 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.400 -4.507 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.669 -4.918 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.770 -2.282 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.200 -3.887 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.955 -2.790 -2.286 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.489 -3.364 -4.425 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.817 -2.191 -4.969 1.00 0.00 C ATOM 1392 C ILE A 91 -6.696 -1.481 -5.993 1.00 0.00 C ATOM 1393 O ILE A 91 -6.794 -0.253 -5.998 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.478 -2.565 -5.630 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.561 -3.257 -4.618 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.805 -1.326 -6.201 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.297 -2.432 -3.378 1.00 0.00 C ATOM 0 H ILE A 91 -6.027 -4.249 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.624 -1.521 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.674 -3.258 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.009 -4.206 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.611 -3.488 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.859 -1.607 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.455 -0.871 -6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.618 -0.612 -5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.640 -2.985 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.820 -1.493 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.240 -2.223 -2.873 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.335 -2.261 -6.860 1.00 0.00 N ATOM 1410 CA HIS A 92 -8.208 -1.707 -7.888 1.00 0.00 C ATOM 1411 C HIS A 92 -9.296 -0.836 -7.266 1.00 0.00 C ATOM 1412 O HIS A 92 -9.673 0.195 -7.822 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.844 -2.831 -8.707 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.244 -2.412 -10.088 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -8.366 -2.390 -11.152 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -10.436 -2.000 -10.578 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.001 -1.981 -12.236 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.259 -1.738 -11.914 1.00 0.00 N ATOM 0 H HIS A 92 -7.264 -3.278 -6.871 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.602 -1.085 -8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.141 -3.661 -8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.723 -3.201 -8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.356 -1.896 -10.022 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.566 -1.865 -13.218 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.982 -1.409 -12.554 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.796 -1.260 -6.111 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.844 -0.521 -5.415 1.00 0.00 C ATOM 1429 C TYR A 93 -10.300 0.784 -4.841 1.00 0.00 C ATOM 1430 O TYR A 93 -10.831 1.862 -5.107 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.442 -1.374 -4.295 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.830 -0.945 -3.882 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.946 -1.329 -4.616 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -13.028 -0.152 -2.758 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -15.217 -0.938 -4.243 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.296 0.242 -2.376 1.00 0.00 C ATOM 1437 CZ TYR A 93 -15.387 -0.153 -3.122 1.00 0.00 C ATOM 1438 OH TYR A 93 -16.652 0.238 -2.745 1.00 0.00 O ATOM 0 H TYR A 93 -9.493 -2.111 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.625 -0.282 -6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.474 -2.414 -4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.784 -1.331 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.817 -1.944 -5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.176 0.162 -2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -16.073 -1.245 -4.826 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.432 0.856 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.597 0.786 -1.934 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.236 0.676 -4.050 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.618 1.848 -3.438 1.00 0.00 C ATOM 1450 C HIS A 94 -8.168 2.844 -4.503 1.00 0.00 C ATOM 1451 O HIS A 94 -8.561 4.010 -4.479 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.425 1.430 -2.578 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.800 1.044 -1.180 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -7.327 0.064 -0.376 1.00 0.00 N flip ATOM 1455 CD2 HIS A 94 -8.774 1.697 -0.455 1.00 0.00 C flip ATOM 1456 CE1 HIS A 94 -8.016 0.142 0.810 1.00 0.00 C flip ATOM 1457 NE2 HIS A 94 -8.883 1.137 0.737 1.00 0.00 N flip ATOM 0 H HIS A 94 -8.785 -0.209 -3.818 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.362 2.332 -2.805 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.920 0.590 -3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.710 2.252 -2.540 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -6.595 -0.608 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.357 2.535 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.873 -0.504 1.663 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.343 2.375 -5.433 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.840 3.226 -6.506 1.00 0.00 C ATOM 1468 C GLN A 95 -7.951 4.105 -7.071 1.00 0.00 C ATOM 1469 O GLN A 95 -7.731 5.275 -7.388 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.231 2.373 -7.620 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.239 3.127 -8.490 1.00 0.00 C ATOM 1472 CD GLN A 95 -5.915 3.924 -9.589 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -7.140 3.925 -9.707 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -5.116 4.607 -10.401 1.00 0.00 N ATOM 0 H GLN A 95 -7.009 1.412 -5.466 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.067 3.872 -6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.731 1.513 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.032 1.986 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.653 3.801 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.541 2.419 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.105 4.577 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.513 5.161 -11.160 1.00 0.00 H new ATOM 1483 N HIS A 96 -9.144 3.533 -7.196 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.291 4.265 -7.723 1.00 0.00 C ATOM 1485 C HIS A 96 -11.064 4.946 -6.598 1.00 0.00 C ATOM 1486 O HIS A 96 -11.015 6.167 -6.449 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.215 3.321 -8.493 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.775 3.073 -9.904 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.485 4.086 -10.791 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.576 1.916 -10.578 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -10.127 3.564 -11.951 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -10.173 2.249 -11.848 1.00 0.00 N ATOM 0 H HIS A 96 -9.342 2.566 -6.940 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.920 5.033 -8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.270 2.369 -7.965 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.222 3.739 -8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.709 0.917 -10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.845 4.119 -12.833 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.946 1.588 -12.591 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.779 4.150 -5.810 1.00 0.00 N ATOM 1502 CA ASN A 97 -12.565 4.677 -4.700 1.00 0.00 C ATOM 1503 C ASN A 97 -11.886 4.382 -3.366 1.00 0.00 C ATOM 1504 O ASN A 97 -11.744 3.224 -2.972 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.972 4.076 -4.713 1.00 0.00 C ATOM 1506 CG ASN A 97 -14.491 3.849 -6.120 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.838 4.795 -6.826 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -14.545 2.588 -6.534 1.00 0.00 N ATOM 0 H ASN A 97 -11.830 3.137 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.638 5.758 -4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.964 3.128 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.653 4.740 -4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.885 2.373 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.247 1.835 -5.914 1.00 0.00 H new ATOM 1515 N SER A 98 -11.470 5.438 -2.674 1.00 0.00 N ATOM 1516 CA SER A 98 -10.803 5.293 -1.385 1.00 0.00 C ATOM 1517 C SER A 98 -11.751 4.700 -0.347 1.00 0.00 C ATOM 1518 O SER A 98 -12.909 4.407 -0.644 1.00 0.00 O ATOM 1519 CB SER A 98 -10.282 6.648 -0.902 1.00 0.00 C ATOM 1520 OG SER A 98 -11.325 7.606 -0.852 1.00 0.00 O ATOM 0 H SER A 98 -11.583 6.403 -2.984 1.00 0.00 H new ATOM 0 HA SER A 98 -9.961 4.613 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.837 6.539 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.494 6.997 -1.570 1.00 0.00 H new ATOM 0 HG SER A 98 -10.967 8.463 -0.539 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.251 4.526 0.871 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.052 3.970 1.955 1.00 0.00 C ATOM 1528 C ALA A 99 -11.478 4.352 3.314 1.00 0.00 C ATOM 1529 O ALA A 99 -10.272 4.549 3.457 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.139 2.457 1.823 1.00 0.00 C ATOM 0 H ALA A 99 -10.294 4.762 1.133 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.056 4.389 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.740 2.055 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.603 2.201 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.137 2.030 1.865 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.351 4.458 4.312 1.00 0.00 N ATOM 1537 CA GLY A 100 -11.911 4.817 5.647 1.00 0.00 C ATOM 1538 C GLY A 100 -11.025 6.046 5.654 1.00 0.00 C ATOM 1539 O GLY A 100 -11.462 7.137 5.287 1.00 0.00 O ATOM 0 H GLY A 100 -13.355 4.302 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.782 4.997 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.368 3.979 6.085 1.00 0.00 H new ATOM 1543 N MET A 101 -9.776 5.872 6.076 1.00 0.00 N ATOM 1544 CA MET A 101 -8.827 6.976 6.129 1.00 0.00 C ATOM 1545 C MET A 101 -7.563 6.646 5.342 1.00 0.00 C ATOM 1546 O MET A 101 -6.576 7.380 5.399 1.00 0.00 O ATOM 1547 CB MET A 101 -8.467 7.297 7.582 1.00 0.00 C ATOM 1548 CG MET A 101 -8.400 6.071 8.477 1.00 0.00 C ATOM 1549 SD MET A 101 -8.339 6.493 10.229 1.00 0.00 S ATOM 1550 CE MET A 101 -7.049 7.735 10.233 1.00 0.00 C ATOM 0 H MET A 101 -9.399 4.976 6.386 1.00 0.00 H new ATOM 0 HA MET A 101 -9.298 7.849 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 101 -7.504 7.806 7.605 1.00 0.00 H new ATOM 0 HB3 MET A 101 -9.204 7.991 7.985 1.00 0.00 H new ATOM 0 HG2 MET A 101 -9.269 5.441 8.289 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.519 5.484 8.218 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.610 7.800 11.229 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.278 7.461 9.514 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.473 8.701 9.959 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.601 5.538 4.609 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.459 5.113 3.810 1.00 0.00 C ATOM 1562 C ILE A 102 -6.279 6.007 2.587 1.00 0.00 C ATOM 1563 O ILE A 102 -6.941 5.820 1.565 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.609 3.652 3.346 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.054 2.767 4.512 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.301 3.144 2.758 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.111 2.807 5.694 1.00 0.00 C ATOM 0 H ILE A 102 -8.410 4.919 4.552 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.580 5.195 4.449 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.373 3.610 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.046 3.081 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.143 1.738 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.424 2.110 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.023 3.760 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.517 3.197 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.489 2.157 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.124 2.465 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.040 3.828 6.068 1.00 0.00 H new ATOM 1579 N THR A 103 -5.378 6.978 2.697 1.00 0.00 N ATOM 1580 CA THR A 103 -5.109 7.900 1.602 1.00 0.00 C ATOM 1581 C THR A 103 -5.217 7.198 0.253 1.00 0.00 C ATOM 1582 O THR A 103 -4.652 6.122 0.056 1.00 0.00 O ATOM 1583 CB THR A 103 -3.711 8.532 1.729 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.536 9.076 3.042 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.515 9.627 0.691 1.00 0.00 C ATOM 0 H THR A 103 -4.822 7.146 3.535 1.00 0.00 H new ATOM 0 HA THR A 103 -5.861 8.687 1.660 1.00 0.00 H new ATOM 0 HB THR A 103 -2.968 7.753 1.557 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.644 9.474 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.520 10.058 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.619 9.204 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.265 10.404 0.836 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.944 7.813 -0.673 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.125 7.245 -2.004 1.00 0.00 C ATOM 1595 C ARG A 104 -4.782 7.070 -2.708 1.00 0.00 C ATOM 1596 O ARG A 104 -3.888 7.910 -2.582 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.039 8.141 -2.843 1.00 0.00 C ATOM 1598 CG ARG A 104 -6.591 9.592 -2.895 1.00 0.00 C ATOM 1599 CD ARG A 104 -7.436 10.402 -3.866 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.675 10.872 -3.254 1.00 0.00 N ATOM 1601 CZ ARG A 104 -9.365 11.916 -3.699 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -8.939 12.595 -4.754 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -10.484 12.282 -3.087 1.00 0.00 N ATOM 0 H ARG A 104 -6.417 8.705 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.588 6.265 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.086 7.748 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.049 8.096 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -6.658 10.030 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.544 9.640 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.860 11.257 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.671 9.792 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.031 10.371 -2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.079 12.316 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.471 13.396 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.815 11.762 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.014 13.084 -3.429 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.646 5.976 -3.448 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.412 5.689 -4.171 1.00 0.00 C ATOM 1619 C LEU A 105 -3.315 6.534 -5.437 1.00 0.00 C ATOM 1620 O LEU A 105 -4.249 6.580 -6.238 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.340 4.204 -4.529 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.899 3.235 -3.486 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.577 1.797 -3.866 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.347 3.559 -2.106 1.00 0.00 C ATOM 0 H LEU A 105 -5.375 5.272 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.573 5.940 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.878 4.050 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.297 3.945 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.983 3.348 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.983 1.122 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.021 1.568 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.496 1.669 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.756 2.859 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.260 3.475 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.629 4.575 -1.831 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.177 7.199 -5.613 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.958 8.041 -6.782 1.00 0.00 C ATOM 1638 C ARG A 106 -1.206 7.277 -7.868 1.00 0.00 C ATOM 1639 O ARG A 106 -1.720 7.076 -8.970 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.176 9.296 -6.393 1.00 0.00 C ATOM 1641 CG ARG A 106 -2.051 10.415 -5.852 1.00 0.00 C ATOM 1642 CD ARG A 106 -2.887 11.051 -6.952 1.00 0.00 C ATOM 1643 NE ARG A 106 -4.152 11.575 -6.444 1.00 0.00 N ATOM 1644 CZ ARG A 106 -5.066 12.158 -7.211 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -4.856 12.292 -8.514 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -6.194 12.609 -6.676 1.00 0.00 N ATOM 0 H ARG A 106 -1.393 7.170 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.931 8.335 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.432 9.032 -5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.633 9.660 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.708 10.022 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.424 11.175 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.321 11.858 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.086 10.313 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.344 11.488 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.991 11.947 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.560 12.740 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.360 12.508 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.895 13.057 -7.266 1.00 0.00 H new ATOM 1660 N HIS A 107 0.014 6.854 -7.552 1.00 0.00 N ATOM 1661 CA HIS A 107 0.836 6.113 -8.501 1.00 0.00 C ATOM 1662 C HIS A 107 1.581 4.979 -7.804 1.00 0.00 C ATOM 1663 O HIS A 107 1.967 5.080 -6.638 1.00 0.00 O ATOM 1664 CB HIS A 107 1.833 7.049 -9.184 1.00 0.00 C ATOM 1665 CG HIS A 107 1.250 7.806 -10.338 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.263 7.332 -11.633 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.631 9.009 -10.386 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.680 8.212 -12.428 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.288 9.239 -11.696 1.00 0.00 N ATOM 0 H HIS A 107 0.455 7.012 -6.646 1.00 0.00 H new ATOM 0 HA HIS A 107 0.178 5.682 -9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.214 7.759 -8.450 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.684 6.466 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.442 9.666 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.547 8.109 -13.495 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.192 10.068 -12.047 1.00 0.00 H new ATOM 1678 N PRO A 108 1.790 3.872 -8.531 1.00 0.00 N ATOM 1679 CA PRO A 108 2.490 2.697 -8.002 1.00 0.00 C ATOM 1680 C PRO A 108 3.978 2.956 -7.791 1.00 0.00 C ATOM 1681 O PRO A 108 4.559 3.843 -8.416 1.00 0.00 O ATOM 1682 CB PRO A 108 2.281 1.640 -9.090 1.00 0.00 C ATOM 1683 CG PRO A 108 2.067 2.421 -10.340 1.00 0.00 C ATOM 1684 CD PRO A 108 1.358 3.681 -9.927 1.00 0.00 C ATOM 0 HA PRO A 108 2.110 2.403 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.147 0.984 -9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.422 1.007 -8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.016 2.649 -10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.471 1.855 -11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.641 4.526 -10.555 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.276 3.577 -10.002 1.00 0.00 H new ATOM 1692 N VAL A 109 4.589 2.175 -6.905 1.00 0.00 N ATOM 1693 CA VAL A 109 6.010 2.319 -6.612 1.00 0.00 C ATOM 1694 C VAL A 109 6.650 0.967 -6.316 1.00 0.00 C ATOM 1695 O VAL A 109 6.097 0.157 -5.573 1.00 0.00 O ATOM 1696 CB VAL A 109 6.243 3.258 -5.413 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.720 3.308 -5.054 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.713 4.651 -5.716 1.00 0.00 C ATOM 0 H VAL A 109 4.122 1.437 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 109 6.474 2.751 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 109 5.697 2.865 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.866 3.976 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.065 2.308 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.290 3.676 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.886 5.301 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.229 5.055 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.644 4.597 -5.920 1.00 0.00 H new ATOM 1708 N SER A 110 7.819 0.731 -6.904 1.00 0.00 N ATOM 1709 CA SER A 110 8.533 -0.524 -6.706 1.00 0.00 C ATOM 1710 C SER A 110 9.872 -0.285 -6.016 1.00 0.00 C ATOM 1711 O SER A 110 10.862 0.058 -6.662 1.00 0.00 O ATOM 1712 CB SER A 110 8.756 -1.225 -8.048 1.00 0.00 C ATOM 1713 OG SER A 110 9.541 -0.426 -8.917 1.00 0.00 O ATOM 0 H SER A 110 8.291 1.392 -7.521 1.00 0.00 H new ATOM 0 HA SER A 110 7.924 -1.163 -6.067 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.250 -2.183 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.794 -1.438 -8.515 1.00 0.00 H new ATOM 0 HG SER A 110 10.239 0.030 -8.401 1.00 0.00 H new TER 1719 SER A 110