USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 809 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 82 SER OG : rot -53:sc= -0.988! USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -11.2! C(o=-14!,f=-12!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 161:sc= -2.11 (180deg=-3.12!) USER MOD Set 2.2: A 83 SER OG : rot 120:sc= 0.0501 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00606 USER MOD Single : A 9 CYS SG : rot -25:sc= -7.76! USER MOD Single : A 12 ASN : amide:sc= -4.65! C(o=-4.6!,f=-5.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.02! C(o=-3!,f=-8.4!) USER MOD Single : A 23 GLN : amide:sc= 0.906 K(o=0.91,f=-0.86) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.418! USER MOD Single : A 27 ASN :FLIP amide:sc= -0.359 F(o=-1.9!,f=-0.36) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 168:sc= -6.91! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 41 GLN : amide:sc= 0.324 K(o=0.32,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= -0.432 (180deg=-1.12) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.406 F(o=-2.6!,f=-0.41) USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= -0.213 (180deg=-1.24!) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00251 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.91 F(o=-3.7!,f=-2.9) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.386 F(o=-0.98,f=-0.39) USER MOD Single : A 102 ASN :FLIP amide:sc= 0.0435! C(o=-3.8!,f=0.043!) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.478 F(o=-2.7!,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.348 -12.125 -5.136 1.00 0.00 N ATOM 2 CA ASP A 1 10.034 -12.819 -5.162 1.00 0.00 C ATOM 3 C ASP A 1 8.898 -11.821 -5.344 1.00 0.00 C ATOM 4 O ASP A 1 8.633 -11.012 -4.476 1.00 0.00 O ATOM 5 CB ASP A 1 9.842 -13.547 -3.822 1.00 0.00 C ATOM 6 CG ASP A 1 10.373 -14.976 -3.943 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.294 -15.146 -4.724 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.827 -15.818 -3.250 1.00 0.00 O ATOM 0 H1 ASP A 1 12.108 -12.824 -5.011 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.490 -11.616 -6.032 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.368 -11.448 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 1 10.020 -13.521 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.369 -13.017 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.786 -13.561 -3.550 1.00 0.00 H new ATOM 13 N TRP A 2 8.244 -11.896 -6.473 1.00 0.00 N ATOM 14 CA TRP A 2 7.125 -10.957 -6.727 1.00 0.00 C ATOM 15 C TRP A 2 5.842 -11.442 -6.047 1.00 0.00 C ATOM 16 O TRP A 2 5.042 -12.125 -6.652 1.00 0.00 O ATOM 17 CB TRP A 2 6.883 -10.912 -8.262 1.00 0.00 C ATOM 18 CG TRP A 2 7.706 -9.777 -8.903 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.671 -9.102 -8.284 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.512 -9.312 -10.123 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.051 -8.185 -9.194 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.363 -8.252 -10.388 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.638 -9.747 -11.114 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.336 -7.633 -11.619 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.624 -9.121 -12.345 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.471 -8.068 -12.595 1.00 0.00 C ATOM 0 H TRP A 2 8.437 -12.562 -7.221 1.00 0.00 H new ATOM 0 HA TRP A 2 7.380 -9.974 -6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.160 -11.867 -8.708 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.823 -10.760 -8.465 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.058 -9.254 -7.287 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.785 -7.499 -9.016 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.971 -10.574 -10.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.997 -6.803 -11.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.945 -9.460 -13.114 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.457 -7.582 -13.559 1.00 0.00 H new ATOM 37 N VAL A 3 5.665 -11.072 -4.794 1.00 0.00 N ATOM 38 CA VAL A 3 4.433 -11.510 -4.075 1.00 0.00 C ATOM 39 C VAL A 3 4.175 -10.664 -2.811 1.00 0.00 C ATOM 40 O VAL A 3 4.610 -11.010 -1.731 1.00 0.00 O ATOM 41 CB VAL A 3 4.614 -12.990 -3.656 1.00 0.00 C ATOM 42 CG1 VAL A 3 3.786 -13.895 -4.577 1.00 0.00 C ATOM 43 CG2 VAL A 3 6.092 -13.369 -3.777 1.00 0.00 C ATOM 0 H VAL A 3 6.311 -10.497 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 3 3.581 -11.385 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 3 4.279 -13.118 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.917 -14.935 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.733 -13.625 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.120 -13.769 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.226 -14.410 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.418 -13.238 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.686 -12.729 -3.125 1.00 0.00 H new ATOM 53 N ILE A 4 3.482 -9.566 -2.976 1.00 0.00 N ATOM 54 CA ILE A 4 3.191 -8.701 -1.803 1.00 0.00 C ATOM 55 C ILE A 4 2.028 -7.729 -2.117 1.00 0.00 C ATOM 56 O ILE A 4 2.240 -6.627 -2.576 1.00 0.00 O ATOM 57 CB ILE A 4 4.455 -7.911 -1.465 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.218 -7.050 -0.233 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.811 -6.995 -2.638 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.146 -7.950 1.004 1.00 0.00 C ATOM 0 H ILE A 4 3.109 -9.236 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 4 2.893 -9.319 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 4 5.267 -8.612 -1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.023 -6.323 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.292 -6.486 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.712 -6.431 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.986 -7.597 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.989 -6.304 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.976 -7.338 1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.326 -8.659 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.084 -8.494 1.113 1.00 0.00 H new ATOM 72 N PRO A 5 0.807 -8.177 -1.859 1.00 0.00 N ATOM 73 CA PRO A 5 -0.393 -7.360 -2.113 1.00 0.00 C ATOM 74 C PRO A 5 -0.476 -6.045 -1.293 1.00 0.00 C ATOM 75 O PRO A 5 -0.886 -5.027 -1.808 1.00 0.00 O ATOM 76 CB PRO A 5 -1.577 -8.274 -1.728 1.00 0.00 C ATOM 77 CG PRO A 5 -0.991 -9.670 -1.352 1.00 0.00 C ATOM 78 CD PRO A 5 0.540 -9.541 -1.361 1.00 0.00 C ATOM 0 HA PRO A 5 -0.387 -7.033 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.130 -7.852 -0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.278 -8.364 -2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.344 -9.983 -0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.317 -10.428 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.954 -9.684 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.995 -10.293 -2.006 1.00 0.00 H new ATOM 86 N PRO A 6 -0.104 -6.098 -0.030 1.00 0.00 N ATOM 87 CA PRO A 6 -0.147 -4.910 0.838 1.00 0.00 C ATOM 88 C PRO A 6 0.831 -3.808 0.403 1.00 0.00 C ATOM 89 O PRO A 6 1.988 -4.064 0.135 1.00 0.00 O ATOM 90 CB PRO A 6 0.250 -5.432 2.234 1.00 0.00 C ATOM 91 CG PRO A 6 0.504 -6.965 2.102 1.00 0.00 C ATOM 92 CD PRO A 6 0.359 -7.326 0.613 1.00 0.00 C ATOM 0 HA PRO A 6 -1.135 -4.452 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.145 -4.924 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.541 -5.235 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.499 -7.222 2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.210 -7.526 2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.309 -7.658 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.353 -8.139 0.471 1.00 0.00 H new ATOM 100 N ILE A 7 0.326 -2.590 0.346 1.00 0.00 N ATOM 101 CA ILE A 7 1.184 -1.435 -0.064 1.00 0.00 C ATOM 102 C ILE A 7 0.840 -0.196 0.771 1.00 0.00 C ATOM 103 O ILE A 7 -0.126 -0.201 1.502 1.00 0.00 O ATOM 104 CB ILE A 7 0.916 -1.111 -1.543 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.056 -2.369 -2.401 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.951 -0.074 -2.009 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.538 -2.720 -2.578 1.00 0.00 C ATOM 0 H ILE A 7 -0.641 -2.353 0.566 1.00 0.00 H new ATOM 0 HA ILE A 7 2.230 -1.701 0.090 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.097 -0.724 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.530 -3.200 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.593 -2.209 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.777 0.169 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.857 0.830 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.954 -0.484 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.629 -3.617 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.052 -1.893 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.988 -2.900 -1.602 1.00 0.00 H new ATOM 119 N SER A 8 1.648 0.840 0.650 1.00 0.00 N ATOM 120 CA SER A 8 1.382 2.094 1.432 1.00 0.00 C ATOM 121 C SER A 8 1.204 3.296 0.500 1.00 0.00 C ATOM 122 O SER A 8 1.805 3.356 -0.554 1.00 0.00 O ATOM 123 CB SER A 8 2.588 2.354 2.346 1.00 0.00 C ATOM 124 OG SER A 8 3.713 2.102 1.517 1.00 0.00 O ATOM 0 H SER A 8 2.472 0.869 0.049 1.00 0.00 H new ATOM 0 HA SER A 8 0.467 1.965 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.591 3.378 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.578 1.696 3.215 1.00 0.00 H new ATOM 0 HG SER A 8 4.536 2.248 2.029 1.00 0.00 H new ATOM 130 N CYS A 9 0.374 4.237 0.913 1.00 0.00 N ATOM 131 CA CYS A 9 0.142 5.445 0.063 1.00 0.00 C ATOM 132 C CYS A 9 0.050 6.739 0.923 1.00 0.00 C ATOM 133 O CYS A 9 -0.823 6.861 1.754 1.00 0.00 O ATOM 134 CB CYS A 9 -1.200 5.251 -0.653 1.00 0.00 C ATOM 135 SG CYS A 9 -2.420 4.181 0.150 1.00 0.00 S ATOM 0 H CYS A 9 -0.143 4.215 1.792 1.00 0.00 H new ATOM 0 HA CYS A 9 0.973 5.555 -0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.653 6.233 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.998 4.848 -1.645 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.811 3.341 0.933 1.00 0.00 H new ATOM 141 N PRO A 10 0.961 7.691 0.699 1.00 0.00 N ATOM 142 CA PRO A 10 0.959 8.947 1.458 1.00 0.00 C ATOM 143 C PRO A 10 -0.271 9.810 1.145 1.00 0.00 C ATOM 144 O PRO A 10 -0.842 9.728 0.067 1.00 0.00 O ATOM 145 CB PRO A 10 2.228 9.691 0.999 1.00 0.00 C ATOM 146 CG PRO A 10 2.855 8.864 -0.160 1.00 0.00 C ATOM 147 CD PRO A 10 2.044 7.564 -0.284 1.00 0.00 C ATOM 0 HA PRO A 10 0.934 8.748 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.983 10.699 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.933 9.793 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.825 9.426 -1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.903 8.645 0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.648 7.441 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.664 6.692 -0.077 1.00 0.00 H new ATOM 155 N GLU A 11 -0.642 10.636 2.097 1.00 0.00 N ATOM 156 CA GLU A 11 -1.824 11.519 1.898 1.00 0.00 C ATOM 157 C GLU A 11 -1.432 12.991 1.972 1.00 0.00 C ATOM 158 O GLU A 11 -0.346 13.329 2.395 1.00 0.00 O ATOM 159 CB GLU A 11 -2.834 11.226 3.018 1.00 0.00 C ATOM 160 CG GLU A 11 -2.114 11.281 4.370 1.00 0.00 C ATOM 161 CD GLU A 11 -2.611 12.491 5.163 1.00 0.00 C ATOM 162 OE1 GLU A 11 -2.081 13.560 4.909 1.00 0.00 O ATOM 163 OE2 GLU A 11 -3.494 12.279 5.979 1.00 0.00 O ATOM 0 H GLU A 11 -0.175 10.732 2.999 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.249 11.323 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.644 11.955 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.284 10.244 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.299 10.365 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.037 11.350 4.218 1.00 0.00 H new ATOM 170 N ASN A 12 -2.334 13.835 1.552 1.00 0.00 N ATOM 171 CA ASN A 12 -2.062 15.296 1.579 1.00 0.00 C ATOM 172 C ASN A 12 -0.756 15.649 0.869 1.00 0.00 C ATOM 173 O ASN A 12 -0.401 16.805 0.772 1.00 0.00 O ATOM 174 CB ASN A 12 -1.951 15.751 3.045 1.00 0.00 C ATOM 175 CG ASN A 12 -3.263 15.466 3.776 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.266 15.143 3.173 1.00 0.00 O ATOM 177 ND2 ASN A 12 -3.295 15.575 5.076 1.00 0.00 N ATOM 0 H ASN A 12 -3.251 13.572 1.190 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.880 15.798 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.130 15.229 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.724 16.816 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.161 15.389 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.454 15.846 5.586 1.00 0.00 H new ATOM 184 N GLU A 13 -0.063 14.658 0.387 1.00 0.00 N ATOM 185 CA GLU A 13 1.214 14.948 -0.312 1.00 0.00 C ATOM 186 C GLU A 13 0.964 15.698 -1.616 1.00 0.00 C ATOM 187 O GLU A 13 0.569 15.107 -2.600 1.00 0.00 O ATOM 188 CB GLU A 13 1.904 13.615 -0.634 1.00 0.00 C ATOM 189 CG GLU A 13 3.017 13.366 0.387 1.00 0.00 C ATOM 190 CD GLU A 13 4.184 14.317 0.110 1.00 0.00 C ATOM 191 OE1 GLU A 13 5.029 13.921 -0.677 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.166 15.383 0.702 1.00 0.00 O ATOM 0 H GLU A 13 -0.322 13.673 0.446 1.00 0.00 H new ATOM 0 HA GLU A 13 1.837 15.568 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.180 12.801 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.318 13.640 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.640 13.521 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.355 12.331 0.328 1.00 0.00 H new ATOM 199 N LYS A 14 1.199 16.995 -1.594 1.00 0.00 N ATOM 200 CA LYS A 14 0.983 17.815 -2.826 1.00 0.00 C ATOM 201 C LYS A 14 2.290 18.451 -3.284 1.00 0.00 C ATOM 202 O LYS A 14 3.224 18.576 -2.517 1.00 0.00 O ATOM 203 CB LYS A 14 -0.024 18.936 -2.502 1.00 0.00 C ATOM 204 CG LYS A 14 0.516 19.788 -1.350 1.00 0.00 C ATOM 205 CD LYS A 14 -0.153 21.166 -1.388 1.00 0.00 C ATOM 206 CE LYS A 14 0.723 22.125 -2.198 1.00 0.00 C ATOM 207 NZ LYS A 14 -0.121 23.100 -2.944 1.00 0.00 N ATOM 0 H LYS A 14 1.529 17.513 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 14 0.606 17.170 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.189 19.557 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.988 18.506 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.317 19.300 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.598 19.893 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.143 21.091 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.290 21.546 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.401 22.658 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.340 21.560 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.489 23.743 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.751 22.588 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.692 23.651 -2.271 1.00 0.00 H new ATOM 221 N GLY A 15 2.329 18.844 -4.529 1.00 0.00 N ATOM 222 CA GLY A 15 3.570 19.477 -5.064 1.00 0.00 C ATOM 223 C GLY A 15 3.830 19.007 -6.493 1.00 0.00 C ATOM 224 O GLY A 15 3.116 19.366 -7.409 1.00 0.00 O ATOM 0 H GLY A 15 1.561 18.755 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.471 20.562 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.419 19.222 -4.430 1.00 0.00 H new ATOM 228 N GLU A 16 4.850 18.209 -6.651 1.00 0.00 N ATOM 229 CA GLU A 16 5.181 17.701 -8.007 1.00 0.00 C ATOM 230 C GLU A 16 4.573 16.319 -8.241 1.00 0.00 C ATOM 231 O GLU A 16 4.512 15.501 -7.345 1.00 0.00 O ATOM 232 CB GLU A 16 6.709 17.597 -8.125 1.00 0.00 C ATOM 233 CG GLU A 16 7.280 18.975 -8.468 1.00 0.00 C ATOM 234 CD GLU A 16 6.728 19.430 -9.823 1.00 0.00 C ATOM 235 OE1 GLU A 16 7.290 18.988 -10.811 1.00 0.00 O ATOM 236 OE2 GLU A 16 5.777 20.194 -9.791 1.00 0.00 O ATOM 0 H GLU A 16 5.464 17.889 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 16 4.774 18.387 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.135 17.236 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.978 16.876 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.013 19.695 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.369 18.932 -8.502 1.00 0.00 H new ATOM 243 N PHE A 17 4.134 16.094 -9.449 1.00 0.00 N ATOM 244 CA PHE A 17 3.524 14.782 -9.789 1.00 0.00 C ATOM 245 C PHE A 17 3.917 14.386 -11.220 1.00 0.00 C ATOM 246 O PHE A 17 4.313 15.224 -12.006 1.00 0.00 O ATOM 247 CB PHE A 17 1.986 14.943 -9.721 1.00 0.00 C ATOM 248 CG PHE A 17 1.480 14.717 -8.280 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.821 13.572 -7.558 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.652 15.652 -7.685 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.339 13.385 -6.280 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.176 15.457 -6.408 1.00 0.00 C ATOM 253 CZ PHE A 17 0.518 14.325 -5.708 1.00 0.00 C ATOM 0 H PHE A 17 4.173 16.766 -10.216 1.00 0.00 H new ATOM 0 HA PHE A 17 3.868 14.015 -9.095 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.704 15.940 -10.059 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.510 14.231 -10.395 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.466 12.829 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.376 16.544 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.608 12.497 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.468 16.196 -5.955 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.141 14.175 -4.707 1.00 0.00 H new ATOM 263 N PRO A 18 3.805 13.107 -11.531 1.00 0.00 N ATOM 264 CA PRO A 18 3.380 12.076 -10.578 1.00 0.00 C ATOM 265 C PRO A 18 4.479 11.742 -9.567 1.00 0.00 C ATOM 266 O PRO A 18 5.619 12.124 -9.742 1.00 0.00 O ATOM 267 CB PRO A 18 3.117 10.829 -11.450 1.00 0.00 C ATOM 268 CG PRO A 18 3.610 11.160 -12.891 1.00 0.00 C ATOM 269 CD PRO A 18 4.056 12.630 -12.892 1.00 0.00 C ATOM 0 HA PRO A 18 2.514 12.410 -10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.646 9.963 -11.052 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.056 10.580 -11.454 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.436 10.507 -13.175 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.813 10.999 -13.617 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.110 12.722 -13.153 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.495 13.212 -13.623 1.00 0.00 H new ATOM 277 N LYS A 19 4.103 11.034 -8.526 1.00 0.00 N ATOM 278 CA LYS A 19 5.095 10.650 -7.480 1.00 0.00 C ATOM 279 C LYS A 19 5.257 9.135 -7.462 1.00 0.00 C ATOM 280 O LYS A 19 4.305 8.416 -7.257 1.00 0.00 O ATOM 281 CB LYS A 19 4.574 11.111 -6.105 1.00 0.00 C ATOM 282 CG LYS A 19 5.653 10.843 -5.050 1.00 0.00 C ATOM 283 CD LYS A 19 5.221 11.455 -3.714 1.00 0.00 C ATOM 284 CE LYS A 19 5.961 12.779 -3.502 1.00 0.00 C ATOM 285 NZ LYS A 19 7.277 12.547 -2.839 1.00 0.00 N ATOM 0 H LYS A 19 3.151 10.708 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 19 6.055 11.119 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.328 12.173 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.658 10.578 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.809 9.770 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.603 11.272 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.144 11.622 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.441 10.767 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.114 13.274 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.353 13.447 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.763 13.457 -2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.125 12.095 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.862 11.927 -3.435 1.00 0.00 H new ATOM 299 N ASN A 20 6.458 8.675 -7.675 1.00 0.00 N ATOM 300 CA ASN A 20 6.683 7.205 -7.673 1.00 0.00 C ATOM 301 C ASN A 20 6.644 6.630 -6.257 1.00 0.00 C ATOM 302 O ASN A 20 7.163 7.223 -5.330 1.00 0.00 O ATOM 303 CB ASN A 20 8.066 6.926 -8.274 1.00 0.00 C ATOM 304 CG ASN A 20 8.280 7.799 -9.517 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.982 8.977 -9.523 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.801 7.258 -10.587 1.00 0.00 N ATOM 0 H ASN A 20 7.285 9.247 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 20 5.891 6.735 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.841 7.132 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.151 5.872 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.955 7.824 -11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.053 6.270 -10.588 1.00 0.00 H new ATOM 313 N LEU A 21 6.026 5.472 -6.125 1.00 0.00 N ATOM 314 CA LEU A 21 5.930 4.818 -4.784 1.00 0.00 C ATOM 315 C LEU A 21 6.747 3.533 -4.736 1.00 0.00 C ATOM 316 O LEU A 21 7.748 3.458 -4.050 1.00 0.00 O ATOM 317 CB LEU A 21 4.459 4.456 -4.514 1.00 0.00 C ATOM 318 CG LEU A 21 3.708 5.687 -4.004 1.00 0.00 C ATOM 319 CD1 LEU A 21 4.243 6.071 -2.617 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.911 6.847 -4.975 1.00 0.00 C ATOM 0 H LEU A 21 5.587 4.958 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 21 6.315 5.512 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.992 4.086 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.401 3.653 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 21 2.644 5.462 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.709 6.948 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.093 5.241 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.307 6.297 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.376 7.724 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.974 7.076 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.529 6.570 -5.957 1.00 0.00 H new ATOM 332 N VAL A 22 6.307 2.539 -5.464 1.00 0.00 N ATOM 333 CA VAL A 22 7.054 1.252 -5.463 1.00 0.00 C ATOM 334 C VAL A 22 6.757 0.444 -6.720 1.00 0.00 C ATOM 335 O VAL A 22 5.767 0.670 -7.388 1.00 0.00 O ATOM 336 CB VAL A 22 6.620 0.440 -4.230 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.348 -0.345 -4.559 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.732 -0.542 -3.857 1.00 0.00 C ATOM 0 H VAL A 22 5.473 2.564 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 22 8.123 1.463 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 22 6.428 1.116 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.040 -0.921 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.554 0.348 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.543 -1.023 -5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.429 -1.120 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.917 -1.217 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.644 0.010 -3.628 1.00 0.00 H new ATOM 348 N GLN A 23 7.623 -0.489 -7.020 1.00 0.00 N ATOM 349 CA GLN A 23 7.410 -1.322 -8.229 1.00 0.00 C ATOM 350 C GLN A 23 6.303 -2.344 -8.014 1.00 0.00 C ATOM 351 O GLN A 23 6.017 -2.731 -6.898 1.00 0.00 O ATOM 352 CB GLN A 23 8.717 -2.067 -8.548 1.00 0.00 C ATOM 353 CG GLN A 23 9.008 -1.949 -10.046 1.00 0.00 C ATOM 354 CD GLN A 23 9.846 -3.147 -10.498 1.00 0.00 C ATOM 355 OE1 GLN A 23 10.506 -3.791 -9.707 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.848 -3.478 -11.762 1.00 0.00 N ATOM 0 H GLN A 23 8.462 -0.705 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 23 7.118 -0.669 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.540 -1.646 -7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.631 -3.116 -8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.074 -1.912 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.540 -1.020 -10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.296 -2.941 -12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.402 -4.273 -12.080 1.00 0.00 H new ATOM 365 N ILE A 24 5.698 -2.763 -9.093 1.00 0.00 N ATOM 366 CA ILE A 24 4.607 -3.759 -8.981 1.00 0.00 C ATOM 367 C ILE A 24 5.164 -5.175 -9.052 1.00 0.00 C ATOM 368 O ILE A 24 6.277 -5.381 -9.495 1.00 0.00 O ATOM 369 CB ILE A 24 3.644 -3.547 -10.151 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.653 -2.434 -9.817 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.870 -4.851 -10.389 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.510 -2.998 -8.964 1.00 0.00 C ATOM 0 H ILE A 24 5.915 -2.457 -10.042 1.00 0.00 H new ATOM 0 HA ILE A 24 4.098 -3.631 -8.026 1.00 0.00 H new ATOM 0 HB ILE A 24 4.207 -3.268 -11.042 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.159 -1.632 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.255 -2.001 -10.735 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.178 -4.717 -11.221 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.571 -5.652 -10.625 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.311 -5.111 -9.490 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.805 -2.201 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.997 -3.784 -9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.915 -3.410 -8.040 1.00 0.00 H new ATOM 384 N LYS A 25 4.377 -6.131 -8.609 1.00 0.00 N ATOM 385 CA LYS A 25 4.850 -7.545 -8.644 1.00 0.00 C ATOM 386 C LYS A 25 3.722 -8.512 -9.033 1.00 0.00 C ATOM 387 O LYS A 25 2.651 -8.484 -8.458 1.00 0.00 O ATOM 388 CB LYS A 25 5.353 -7.911 -7.238 1.00 0.00 C ATOM 389 CG LYS A 25 6.515 -6.983 -6.863 1.00 0.00 C ATOM 390 CD LYS A 25 6.844 -7.161 -5.388 1.00 0.00 C ATOM 391 CE LYS A 25 8.332 -6.877 -5.166 1.00 0.00 C ATOM 392 NZ LYS A 25 8.627 -6.731 -3.713 1.00 0.00 N ATOM 0 H LYS A 25 3.440 -5.991 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 25 5.640 -7.633 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.545 -7.814 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.679 -8.951 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.389 -7.211 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.247 -5.946 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.239 -6.485 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.604 -8.175 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.929 -7.688 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.617 -5.967 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.641 -6.539 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.072 -5.942 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.375 -7.610 -3.217 1.00 0.00 H new ATOM 406 N SER A 26 3.996 -9.352 -10.008 1.00 0.00 N ATOM 407 CA SER A 26 2.968 -10.337 -10.463 1.00 0.00 C ATOM 408 C SER A 26 3.302 -11.730 -9.960 1.00 0.00 C ATOM 409 O SER A 26 3.243 -12.000 -8.775 1.00 0.00 O ATOM 410 CB SER A 26 2.968 -10.370 -12.001 1.00 0.00 C ATOM 411 OG SER A 26 2.052 -11.406 -12.326 1.00 0.00 O ATOM 0 H SER A 26 4.886 -9.395 -10.505 1.00 0.00 H new ATOM 0 HA SER A 26 1.995 -10.037 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.654 -9.414 -12.420 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.962 -10.579 -12.395 1.00 0.00 H new ATOM 0 HG SER A 26 1.990 -11.494 -13.300 1.00 0.00 H new ATOM 417 N ASN A 27 3.647 -12.593 -10.872 1.00 0.00 N ATOM 418 CA ASN A 27 3.988 -13.976 -10.475 1.00 0.00 C ATOM 419 C ASN A 27 4.551 -14.755 -11.657 1.00 0.00 C ATOM 420 O ASN A 27 5.601 -15.355 -11.563 1.00 0.00 O ATOM 421 CB ASN A 27 2.710 -14.672 -9.984 1.00 0.00 C ATOM 422 CG ASN A 27 3.010 -15.400 -8.674 1.00 0.00 C ATOM 423 OD1 ASN A 27 3.835 -14.856 -7.823 1.00 0.00 O flip ATOM 424 ND2 ASN A 27 2.497 -16.471 -8.413 1.00 0.00 N flip ATOM 0 H ASN A 27 3.706 -12.397 -11.871 1.00 0.00 H new ATOM 0 HA ASN A 27 4.741 -13.944 -9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.917 -13.940 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.354 -15.378 -10.734 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.851 -16.902 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.713 -16.939 -7.533 1.00 0.00 H new ATOM 431 N ARG A 28 3.847 -14.725 -12.754 1.00 0.00 N ATOM 432 CA ARG A 28 4.336 -15.464 -13.949 1.00 0.00 C ATOM 433 C ARG A 28 5.582 -14.798 -14.520 1.00 0.00 C ATOM 434 O ARG A 28 6.086 -15.192 -15.555 1.00 0.00 O ATOM 435 CB ARG A 28 3.234 -15.450 -15.023 1.00 0.00 C ATOM 436 CG ARG A 28 2.039 -16.284 -14.539 1.00 0.00 C ATOM 437 CD ARG A 28 0.779 -15.416 -14.557 1.00 0.00 C ATOM 438 NE ARG A 28 -0.305 -16.118 -13.814 1.00 0.00 N ATOM 439 CZ ARG A 28 -0.199 -16.280 -12.522 1.00 0.00 C ATOM 440 NH1 ARG A 28 0.316 -15.320 -11.807 1.00 0.00 N ATOM 441 NH2 ARG A 28 -0.611 -17.399 -11.992 1.00 0.00 N ATOM 0 H ARG A 28 2.965 -14.227 -12.874 1.00 0.00 H new ATOM 0 HA ARG A 28 4.582 -16.485 -13.657 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.919 -14.426 -15.223 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.618 -15.854 -15.959 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.904 -17.155 -15.181 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.224 -16.656 -13.531 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.983 -14.448 -14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.468 -15.225 -15.584 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.124 -16.469 -14.310 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.628 -14.460 -12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.407 -15.429 -10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.007 -18.128 -12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.537 -17.544 -10.985 1.00 0.00 H new ATOM 455 N ASP A 29 6.064 -13.803 -13.829 1.00 0.00 N ATOM 456 CA ASP A 29 7.275 -13.095 -14.312 1.00 0.00 C ATOM 457 C ASP A 29 8.489 -14.020 -14.304 1.00 0.00 C ATOM 458 O ASP A 29 9.614 -13.566 -14.370 1.00 0.00 O ATOM 459 CB ASP A 29 7.540 -11.903 -13.371 1.00 0.00 C ATOM 460 CG ASP A 29 8.451 -12.345 -12.221 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.970 -13.131 -11.421 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.574 -11.869 -12.209 1.00 0.00 O ATOM 0 H ASP A 29 5.672 -13.453 -12.955 1.00 0.00 H new ATOM 0 HA ASP A 29 7.111 -12.758 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.006 -11.087 -13.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.598 -11.523 -12.976 1.00 0.00 H new ATOM 467 N LYS A 30 8.231 -15.305 -14.225 1.00 0.00 N ATOM 468 CA LYS A 30 9.350 -16.287 -14.211 1.00 0.00 C ATOM 469 C LYS A 30 9.438 -17.048 -15.534 1.00 0.00 C ATOM 470 O LYS A 30 10.409 -17.735 -15.784 1.00 0.00 O ATOM 471 CB LYS A 30 9.084 -17.297 -13.081 1.00 0.00 C ATOM 472 CG LYS A 30 9.439 -16.657 -11.735 1.00 0.00 C ATOM 473 CD LYS A 30 9.744 -17.760 -10.719 1.00 0.00 C ATOM 474 CE LYS A 30 10.337 -17.131 -9.456 1.00 0.00 C ATOM 475 NZ LYS A 30 9.256 -16.769 -8.495 1.00 0.00 N ATOM 0 H LYS A 30 7.296 -15.710 -14.170 1.00 0.00 H new ATOM 0 HA LYS A 30 10.288 -15.752 -14.059 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.037 -17.600 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.678 -18.198 -13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.302 -16.000 -11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.612 -16.040 -11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.834 -18.307 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.444 -18.479 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.030 -17.829 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.910 -16.242 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.676 -16.344 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.610 -16.086 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.727 -17.624 -8.229 1.00 0.00 H new ATOM 489 N GLU A 31 8.423 -16.906 -16.364 1.00 0.00 N ATOM 490 CA GLU A 31 8.441 -17.623 -17.678 1.00 0.00 C ATOM 491 C GLU A 31 8.783 -16.680 -18.831 1.00 0.00 C ATOM 492 O GLU A 31 9.522 -17.040 -19.725 1.00 0.00 O ATOM 493 CB GLU A 31 7.046 -18.222 -17.929 1.00 0.00 C ATOM 494 CG GLU A 31 5.975 -17.222 -17.493 1.00 0.00 C ATOM 495 CD GLU A 31 4.699 -17.467 -18.301 1.00 0.00 C ATOM 496 OE1 GLU A 31 3.913 -18.278 -17.839 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.582 -16.831 -19.335 1.00 0.00 O ATOM 0 H GLU A 31 7.598 -16.333 -16.188 1.00 0.00 H new ATOM 0 HA GLU A 31 9.205 -18.400 -17.634 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.926 -18.461 -18.986 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.934 -19.155 -17.376 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.772 -17.330 -16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.328 -16.202 -17.648 1.00 0.00 H new ATOM 504 N THR A 32 8.239 -15.493 -18.797 1.00 0.00 N ATOM 505 CA THR A 32 8.532 -14.530 -19.894 1.00 0.00 C ATOM 506 C THR A 32 8.265 -13.094 -19.456 1.00 0.00 C ATOM 507 O THR A 32 7.444 -12.851 -18.593 1.00 0.00 O ATOM 508 CB THR A 32 7.603 -14.857 -21.075 1.00 0.00 C ATOM 509 OG1 THR A 32 8.236 -14.306 -22.213 1.00 0.00 O ATOM 510 CG2 THR A 32 6.277 -14.087 -20.961 1.00 0.00 C ATOM 0 H THR A 32 7.613 -15.153 -18.067 1.00 0.00 H new ATOM 0 HA THR A 32 9.583 -14.619 -20.170 1.00 0.00 H new ATOM 0 HB THR A 32 7.419 -15.931 -21.111 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.691 -14.483 -23.008 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.638 -14.336 -21.808 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.775 -14.363 -20.034 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.477 -13.016 -20.960 1.00 0.00 H new ATOM 518 N LYS A 33 8.970 -12.163 -20.055 1.00 0.00 N ATOM 519 CA LYS A 33 8.756 -10.746 -19.678 1.00 0.00 C ATOM 520 C LYS A 33 7.264 -10.461 -19.628 1.00 0.00 C ATOM 521 O LYS A 33 6.558 -10.713 -20.588 1.00 0.00 O ATOM 522 CB LYS A 33 9.406 -9.852 -20.750 1.00 0.00 C ATOM 523 CG LYS A 33 9.510 -8.421 -20.214 1.00 0.00 C ATOM 524 CD LYS A 33 10.930 -7.891 -20.450 1.00 0.00 C ATOM 525 CE LYS A 33 11.228 -7.889 -21.952 1.00 0.00 C ATOM 526 NZ LYS A 33 9.971 -7.739 -22.734 1.00 0.00 N ATOM 0 H LYS A 33 9.672 -12.327 -20.777 1.00 0.00 H new ATOM 0 HA LYS A 33 9.198 -10.546 -18.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.396 -10.231 -21.006 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.812 -9.869 -21.664 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.783 -7.780 -20.713 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.275 -8.401 -19.150 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.025 -6.882 -20.048 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.655 -8.513 -19.925 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.911 -7.074 -22.192 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.728 -8.817 -22.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.198 -7.420 -23.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.479 -8.654 -22.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.357 -7.038 -22.273 1.00 0.00 H new ATOM 540 N VAL A 34 6.809 -9.934 -18.515 1.00 0.00 N ATOM 541 CA VAL A 34 5.356 -9.630 -18.387 1.00 0.00 C ATOM 542 C VAL A 34 5.082 -8.143 -18.176 1.00 0.00 C ATOM 543 O VAL A 34 5.783 -7.467 -17.451 1.00 0.00 O ATOM 544 CB VAL A 34 4.826 -10.413 -17.174 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.694 -10.107 -15.958 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.390 -9.996 -16.880 1.00 0.00 C ATOM 0 H VAL A 34 7.378 -9.705 -17.700 1.00 0.00 H new ATOM 0 HA VAL A 34 4.859 -9.917 -19.314 1.00 0.00 H new ATOM 0 HB VAL A 34 4.857 -11.480 -17.393 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.321 -10.660 -15.096 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.723 -10.403 -16.162 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.659 -9.038 -15.746 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.018 -10.553 -16.020 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.358 -8.928 -16.662 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.765 -10.208 -17.747 1.00 0.00 H new ATOM 556 N PHE A 35 4.051 -7.674 -18.834 1.00 0.00 N ATOM 557 CA PHE A 35 3.668 -6.244 -18.718 1.00 0.00 C ATOM 558 C PHE A 35 2.533 -6.116 -17.716 1.00 0.00 C ATOM 559 O PHE A 35 1.810 -7.079 -17.480 1.00 0.00 O ATOM 560 CB PHE A 35 3.189 -5.747 -20.096 1.00 0.00 C ATOM 561 CG PHE A 35 4.399 -5.392 -20.976 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.659 -5.910 -20.703 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.250 -4.537 -22.056 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.739 -5.577 -21.493 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.335 -4.207 -22.844 1.00 0.00 C ATOM 566 CZ PHE A 35 6.576 -4.726 -22.561 1.00 0.00 C ATOM 0 H PHE A 35 3.457 -8.229 -19.450 1.00 0.00 H new ATOM 0 HA PHE A 35 4.520 -5.651 -18.385 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.589 -6.517 -20.581 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.548 -4.874 -19.974 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.794 -6.579 -19.866 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.278 -4.125 -22.283 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.714 -5.985 -21.273 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.208 -3.540 -23.684 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.423 -4.465 -23.178 1.00 0.00 H new ATOM 576 N TYR A 36 2.370 -4.930 -17.162 1.00 0.00 N ATOM 577 CA TYR A 36 1.278 -4.733 -16.158 1.00 0.00 C ATOM 578 C TYR A 36 0.132 -3.856 -16.639 1.00 0.00 C ATOM 579 O TYR A 36 0.257 -3.076 -17.563 1.00 0.00 O ATOM 580 CB TYR A 36 1.900 -4.061 -14.932 1.00 0.00 C ATOM 581 CG TYR A 36 2.576 -5.127 -14.093 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.834 -5.916 -13.246 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.931 -5.339 -14.195 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.436 -6.907 -12.513 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.537 -6.331 -13.463 1.00 0.00 C ATOM 586 CZ TYR A 36 3.795 -7.125 -12.615 1.00 0.00 C ATOM 587 OH TYR A 36 4.400 -8.115 -11.879 1.00 0.00 O ATOM 0 H TYR A 36 2.938 -4.106 -17.361 1.00 0.00 H new ATOM 0 HA TYR A 36 0.853 -5.715 -15.951 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.623 -3.306 -15.240 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.133 -3.550 -14.350 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.770 -5.754 -13.157 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.522 -4.722 -14.855 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.842 -7.521 -11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.602 -6.490 -13.552 1.00 0.00 H new ATOM 0 HH TYR A 36 5.313 -8.256 -12.207 1.00 0.00 H new ATOM 597 N SER A 37 -0.974 -4.025 -15.962 1.00 0.00 N ATOM 598 CA SER A 37 -2.202 -3.260 -16.275 1.00 0.00 C ATOM 599 C SER A 37 -2.974 -3.071 -14.976 1.00 0.00 C ATOM 600 O SER A 37 -3.051 -3.987 -14.183 1.00 0.00 O ATOM 601 CB SER A 37 -3.061 -4.076 -17.257 1.00 0.00 C ATOM 602 OG SER A 37 -4.211 -3.269 -17.467 1.00 0.00 O ATOM 0 H SER A 37 -1.072 -4.680 -15.186 1.00 0.00 H new ATOM 0 HA SER A 37 -1.956 -2.296 -16.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.530 -4.263 -18.190 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.327 -5.048 -16.841 1.00 0.00 H new ATOM 0 HG SER A 37 -4.818 -3.720 -18.090 1.00 0.00 H new ATOM 608 N ILE A 38 -3.526 -1.897 -14.769 1.00 0.00 N ATOM 609 CA ILE A 38 -4.293 -1.666 -13.502 1.00 0.00 C ATOM 610 C ILE A 38 -5.657 -1.051 -13.755 1.00 0.00 C ATOM 611 O ILE A 38 -5.858 -0.326 -14.709 1.00 0.00 O ATOM 612 CB ILE A 38 -3.486 -0.713 -12.626 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.187 -0.528 -11.285 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.402 0.650 -13.335 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.204 0.081 -10.287 1.00 0.00 C ATOM 0 H ILE A 38 -3.481 -1.104 -15.408 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.449 -2.631 -13.020 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.489 -1.121 -12.460 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.055 0.121 -11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.552 -1.487 -10.916 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.828 1.344 -12.722 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.912 0.528 -14.301 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.407 1.044 -13.485 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.699 0.216 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.350 -0.585 -10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.861 1.047 -10.657 1.00 0.00 H new ATOM 627 N THR A 39 -6.574 -1.362 -12.878 1.00 0.00 N ATOM 628 CA THR A 39 -7.942 -0.823 -13.013 1.00 0.00 C ATOM 629 C THR A 39 -8.672 -0.896 -11.674 1.00 0.00 C ATOM 630 O THR A 39 -8.283 -1.653 -10.789 1.00 0.00 O ATOM 631 CB THR A 39 -8.702 -1.670 -14.045 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.917 -0.985 -14.270 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.128 -3.017 -13.447 1.00 0.00 C ATOM 0 H THR A 39 -6.425 -1.970 -12.073 1.00 0.00 H new ATOM 0 HA THR A 39 -7.892 0.218 -13.333 1.00 0.00 H new ATOM 0 HB THR A 39 -8.076 -1.824 -14.924 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.453 -1.477 -14.926 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.664 -3.596 -14.199 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.244 -3.569 -13.126 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.779 -2.845 -12.590 1.00 0.00 H new ATOM 641 N GLY A 40 -9.711 -0.100 -11.542 1.00 0.00 N ATOM 642 CA GLY A 40 -10.494 -0.097 -10.266 1.00 0.00 C ATOM 643 C GLY A 40 -10.517 1.306 -9.650 1.00 0.00 C ATOM 644 O GLY A 40 -10.093 2.270 -10.264 1.00 0.00 O ATOM 0 H GLY A 40 -10.047 0.543 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.513 -0.432 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.054 -0.802 -9.561 1.00 0.00 H new ATOM 648 N GLN A 41 -11.015 1.388 -8.446 1.00 0.00 N ATOM 649 CA GLN A 41 -11.077 2.705 -7.771 1.00 0.00 C ATOM 650 C GLN A 41 -9.713 3.359 -7.749 1.00 0.00 C ATOM 651 O GLN A 41 -8.746 2.765 -7.317 1.00 0.00 O ATOM 652 CB GLN A 41 -11.548 2.484 -6.323 1.00 0.00 C ATOM 653 CG GLN A 41 -11.181 1.063 -5.892 1.00 0.00 C ATOM 654 CD GLN A 41 -11.355 0.928 -4.378 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.641 1.533 -3.604 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.290 0.143 -3.916 1.00 0.00 N ATOM 0 H GLN A 41 -11.378 0.602 -7.907 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.766 3.354 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.080 3.211 -5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.625 2.633 -6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.814 0.340 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.151 0.841 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.892 -0.367 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.418 0.040 -2.909 1.00 0.00 H new ATOM 665 N GLY A 42 -9.657 4.580 -8.217 1.00 0.00 N ATOM 666 CA GLY A 42 -8.348 5.299 -8.232 1.00 0.00 C ATOM 667 C GLY A 42 -7.759 5.268 -9.644 1.00 0.00 C ATOM 668 O GLY A 42 -6.766 5.923 -9.927 1.00 0.00 O ATOM 0 H GLY A 42 -10.451 5.105 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.485 6.330 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.658 4.832 -7.529 1.00 0.00 H new ATOM 672 N ALA A 43 -8.386 4.493 -10.493 1.00 0.00 N ATOM 673 CA ALA A 43 -7.911 4.379 -11.896 1.00 0.00 C ATOM 674 C ALA A 43 -9.030 4.755 -12.851 1.00 0.00 C ATOM 675 O ALA A 43 -9.015 5.820 -13.435 1.00 0.00 O ATOM 676 CB ALA A 43 -7.511 2.921 -12.155 1.00 0.00 C ATOM 0 H ALA A 43 -9.209 3.934 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.063 5.046 -12.052 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.159 2.817 -13.181 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.715 2.635 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.374 2.274 -12.000 1.00 0.00 H new ATOM 682 N ASP A 44 -9.985 3.866 -12.988 1.00 0.00 N ATOM 683 CA ASP A 44 -11.128 4.135 -13.898 1.00 0.00 C ATOM 684 C ASP A 44 -12.396 4.415 -13.093 1.00 0.00 C ATOM 685 O ASP A 44 -13.317 5.038 -13.583 1.00 0.00 O ATOM 686 CB ASP A 44 -11.359 2.889 -14.767 1.00 0.00 C ATOM 687 CG ASP A 44 -11.883 1.750 -13.890 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.393 1.655 -12.777 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.746 1.040 -14.383 1.00 0.00 O ATOM 0 H ASP A 44 -10.017 2.968 -12.506 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.901 5.004 -14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.074 3.112 -15.559 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.429 2.592 -15.251 1.00 0.00 H new ATOM 694 N LYS A 45 -12.415 3.948 -11.862 1.00 0.00 N ATOM 695 CA LYS A 45 -13.613 4.176 -11.007 1.00 0.00 C ATOM 696 C LYS A 45 -13.372 5.357 -10.049 1.00 0.00 C ATOM 697 O LYS A 45 -12.329 5.434 -9.406 1.00 0.00 O ATOM 698 CB LYS A 45 -13.857 2.897 -10.168 1.00 0.00 C ATOM 699 CG LYS A 45 -14.568 3.263 -8.850 1.00 0.00 C ATOM 700 CD LYS A 45 -15.143 1.995 -8.218 1.00 0.00 C ATOM 701 CE LYS A 45 -16.601 1.839 -8.655 1.00 0.00 C ATOM 702 NZ LYS A 45 -17.072 0.445 -8.420 1.00 0.00 N ATOM 0 H LYS A 45 -11.657 3.425 -11.423 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.472 4.403 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.463 2.190 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.908 2.404 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.866 3.739 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.365 3.982 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.563 1.125 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.080 2.054 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.229 2.539 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.698 2.088 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.063 0.358 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.484 -0.217 -8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.998 0.220 -7.407 1.00 0.00 H new ATOM 716 N PRO A 46 -14.349 6.267 -9.963 1.00 0.00 N ATOM 717 CA PRO A 46 -14.226 7.426 -9.089 1.00 0.00 C ATOM 718 C PRO A 46 -13.766 7.020 -7.676 1.00 0.00 C ATOM 719 O PRO A 46 -14.317 6.110 -7.088 1.00 0.00 O ATOM 720 CB PRO A 46 -15.652 8.019 -9.028 1.00 0.00 C ATOM 721 CG PRO A 46 -16.492 7.313 -10.137 1.00 0.00 C ATOM 722 CD PRO A 46 -15.621 6.185 -10.711 1.00 0.00 C ATOM 0 HA PRO A 46 -13.485 8.133 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.096 7.855 -8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.628 9.097 -9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.418 6.913 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.771 8.020 -10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.096 5.213 -10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.459 6.317 -11.781 1.00 0.00 H new ATOM 730 N PRO A 47 -12.749 7.707 -7.145 1.00 0.00 N ATOM 731 CA PRO A 47 -12.041 8.807 -7.834 1.00 0.00 C ATOM 732 C PRO A 47 -11.210 8.294 -9.023 1.00 0.00 C ATOM 733 O PRO A 47 -10.293 7.521 -8.851 1.00 0.00 O ATOM 734 CB PRO A 47 -11.089 9.386 -6.765 1.00 0.00 C ATOM 735 CG PRO A 47 -11.205 8.485 -5.498 1.00 0.00 C ATOM 736 CD PRO A 47 -12.273 7.418 -5.790 1.00 0.00 C ATOM 0 HA PRO A 47 -12.745 9.537 -8.234 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.063 9.401 -7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.358 10.416 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.247 8.017 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.484 9.080 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.853 6.414 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.088 7.469 -5.068 1.00 0.00 H new ATOM 744 N VAL A 48 -11.557 8.739 -10.204 1.00 0.00 N ATOM 745 CA VAL A 48 -10.809 8.295 -11.409 1.00 0.00 C ATOM 746 C VAL A 48 -9.522 9.093 -11.581 1.00 0.00 C ATOM 747 O VAL A 48 -9.493 10.285 -11.350 1.00 0.00 O ATOM 748 CB VAL A 48 -11.702 8.520 -12.644 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.495 9.816 -12.467 1.00 0.00 C ATOM 750 CG2 VAL A 48 -10.827 8.640 -13.893 1.00 0.00 C ATOM 0 H VAL A 48 -12.324 9.388 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.550 7.242 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.386 7.678 -12.753 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.128 9.977 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.118 9.742 -11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.805 10.653 -12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.459 8.799 -14.766 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.145 9.483 -13.780 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.252 7.723 -14.024 1.00 0.00 H new ATOM 760 N GLY A 49 -8.481 8.420 -11.986 1.00 0.00 N ATOM 761 CA GLY A 49 -7.185 9.129 -12.181 1.00 0.00 C ATOM 762 C GLY A 49 -6.496 9.396 -10.842 1.00 0.00 C ATOM 763 O GLY A 49 -6.545 10.496 -10.326 1.00 0.00 O ATOM 0 H GLY A 49 -8.470 7.420 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.532 8.531 -12.817 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.357 10.072 -12.699 1.00 0.00 H new ATOM 767 N VAL A 50 -5.868 8.383 -10.306 1.00 0.00 N ATOM 768 CA VAL A 50 -5.170 8.558 -9.005 1.00 0.00 C ATOM 769 C VAL A 50 -3.884 7.745 -8.979 1.00 0.00 C ATOM 770 O VAL A 50 -2.862 8.222 -8.522 1.00 0.00 O ATOM 771 CB VAL A 50 -6.092 8.080 -7.876 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.476 8.466 -6.528 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.453 8.759 -8.018 1.00 0.00 C ATOM 0 H VAL A 50 -5.810 7.449 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.924 9.611 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.213 6.998 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.127 8.129 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.498 7.995 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.364 9.549 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.113 8.423 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.329 9.840 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.890 8.499 -8.982 1.00 0.00 H new ATOM 783 N PHE A 51 -3.961 6.520 -9.470 1.00 0.00 N ATOM 784 CA PHE A 51 -2.744 5.648 -9.487 1.00 0.00 C ATOM 785 C PHE A 51 -2.365 5.283 -10.916 1.00 0.00 C ATOM 786 O PHE A 51 -3.214 5.177 -11.780 1.00 0.00 O ATOM 787 CB PHE A 51 -3.042 4.342 -8.723 1.00 0.00 C ATOM 788 CG PHE A 51 -3.511 4.665 -7.307 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.837 4.950 -7.061 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.617 4.662 -6.252 1.00 0.00 C ATOM 791 CE1 PHE A 51 -5.266 5.228 -5.779 1.00 0.00 C ATOM 792 CE2 PHE A 51 -3.047 4.940 -4.972 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.371 5.223 -4.736 1.00 0.00 C ATOM 0 H PHE A 51 -4.806 6.097 -9.854 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.924 6.194 -9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.807 3.770 -9.247 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.148 3.720 -8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.545 4.956 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.575 4.440 -6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.307 5.450 -5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.342 4.935 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.707 5.441 -3.733 1.00 0.00 H new ATOM 803 N ILE A 52 -1.092 5.097 -11.136 1.00 0.00 N ATOM 804 CA ILE A 52 -0.619 4.736 -12.497 1.00 0.00 C ATOM 805 C ILE A 52 0.482 3.691 -12.402 1.00 0.00 C ATOM 806 O ILE A 52 1.290 3.727 -11.495 1.00 0.00 O ATOM 807 CB ILE A 52 -0.060 5.992 -13.169 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.818 6.747 -12.188 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.234 6.897 -13.573 1.00 0.00 C ATOM 810 CD1 ILE A 52 1.591 7.838 -12.936 1.00 0.00 C ATOM 0 H ILE A 52 -0.361 5.180 -10.430 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.448 4.331 -13.077 1.00 0.00 H new ATOM 0 HB ILE A 52 0.526 5.709 -14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.207 7.192 -11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.512 6.062 -11.702 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.851 7.797 -14.054 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.883 6.363 -14.267 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.802 7.174 -12.685 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.223 8.382 -12.234 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.213 7.381 -13.705 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.887 8.528 -13.402 1.00 0.00 H new ATOM 822 N ILE A 53 0.491 2.777 -13.342 1.00 0.00 N ATOM 823 CA ILE A 53 1.534 1.712 -13.329 1.00 0.00 C ATOM 824 C ILE A 53 2.261 1.626 -14.659 1.00 0.00 C ATOM 825 O ILE A 53 1.656 1.735 -15.708 1.00 0.00 O ATOM 826 CB ILE A 53 0.839 0.378 -13.090 1.00 0.00 C ATOM 827 CG1 ILE A 53 -0.133 0.102 -14.236 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.043 0.469 -11.780 1.00 0.00 C ATOM 829 CD1 ILE A 53 0.570 -0.730 -15.321 1.00 0.00 C ATOM 0 H ILE A 53 -0.176 2.725 -14.112 1.00 0.00 H new ATOM 0 HA ILE A 53 2.259 1.946 -12.549 1.00 0.00 H new ATOM 0 HB ILE A 53 1.578 -0.421 -13.033 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.007 -0.432 -13.864 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.489 1.042 -14.658 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.461 -0.479 -11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.722 0.686 -10.956 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.698 1.265 -11.859 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.125 -0.926 -16.137 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.430 -0.179 -15.701 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.904 -1.676 -14.895 1.00 0.00 H new ATOM 841 N GLU A 54 3.550 1.432 -14.598 1.00 0.00 N ATOM 842 CA GLU A 54 4.323 1.334 -15.864 1.00 0.00 C ATOM 843 C GLU A 54 4.089 -0.019 -16.531 1.00 0.00 C ATOM 844 O GLU A 54 4.631 -1.022 -16.120 1.00 0.00 O ATOM 845 CB GLU A 54 5.814 1.476 -15.541 1.00 0.00 C ATOM 846 CG GLU A 54 6.368 2.708 -16.260 1.00 0.00 C ATOM 847 CD GLU A 54 6.203 2.526 -17.772 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.144 1.376 -18.175 1.00 0.00 O ATOM 849 OE2 GLU A 54 6.146 3.547 -18.437 1.00 0.00 O ATOM 0 H GLU A 54 4.093 1.339 -13.740 1.00 0.00 H new ATOM 0 HA GLU A 54 3.998 2.123 -16.542 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.958 1.573 -14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.354 0.583 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.842 3.604 -15.930 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.420 2.847 -16.011 1.00 0.00 H new ATOM 856 N ARG A 55 3.283 -0.016 -17.547 1.00 0.00 N ATOM 857 CA ARG A 55 2.990 -1.282 -18.263 1.00 0.00 C ATOM 858 C ARG A 55 4.267 -2.087 -18.542 1.00 0.00 C ATOM 859 O ARG A 55 4.228 -3.304 -18.612 1.00 0.00 O ATOM 860 CB ARG A 55 2.334 -0.910 -19.609 1.00 0.00 C ATOM 861 CG ARG A 55 2.079 -2.179 -20.430 1.00 0.00 C ATOM 862 CD ARG A 55 1.590 -1.783 -21.825 1.00 0.00 C ATOM 863 NE ARG A 55 0.247 -1.149 -21.708 1.00 0.00 N ATOM 864 CZ ARG A 55 -0.759 -1.655 -22.367 1.00 0.00 C ATOM 865 NH1 ARG A 55 -1.079 -2.905 -22.170 1.00 0.00 N ATOM 866 NH2 ARG A 55 -1.412 -0.894 -23.202 1.00 0.00 N ATOM 0 H ARG A 55 2.812 0.811 -17.915 1.00 0.00 H new ATOM 0 HA ARG A 55 2.337 -1.898 -17.645 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.395 -0.384 -19.434 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.981 -0.231 -20.164 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.993 -2.768 -20.505 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.336 -2.804 -19.935 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.294 -1.091 -22.288 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.537 -2.661 -22.468 1.00 0.00 H new ATOM 0 HE ARG A 55 0.115 -0.327 -21.118 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.545 -3.470 -21.509 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.863 -3.317 -22.677 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.133 0.079 -23.331 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.201 -1.272 -23.726 1.00 0.00 H new ATOM 880 N GLU A 56 5.376 -1.401 -18.666 1.00 0.00 N ATOM 881 CA GLU A 56 6.655 -2.118 -18.944 1.00 0.00 C ATOM 882 C GLU A 56 7.383 -2.534 -17.668 1.00 0.00 C ATOM 883 O GLU A 56 7.508 -3.707 -17.380 1.00 0.00 O ATOM 884 CB GLU A 56 7.574 -1.170 -19.734 1.00 0.00 C ATOM 885 CG GLU A 56 6.782 -0.526 -20.876 1.00 0.00 C ATOM 886 CD GLU A 56 6.585 -1.549 -21.996 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.514 -2.315 -22.199 1.00 0.00 O ATOM 888 OE2 GLU A 56 5.521 -1.506 -22.588 1.00 0.00 O ATOM 0 H GLU A 56 5.450 -0.387 -18.588 1.00 0.00 H new ATOM 0 HA GLU A 56 6.417 -3.023 -19.503 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.973 -0.400 -19.074 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.426 -1.721 -20.133 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.815 -0.178 -20.512 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.313 0.347 -21.255 1.00 0.00 H new ATOM 895 N THR A 57 7.850 -1.568 -16.929 1.00 0.00 N ATOM 896 CA THR A 57 8.574 -1.900 -15.670 1.00 0.00 C ATOM 897 C THR A 57 7.609 -2.232 -14.543 1.00 0.00 C ATOM 898 O THR A 57 7.911 -3.036 -13.682 1.00 0.00 O ATOM 899 CB THR A 57 9.406 -0.681 -15.259 1.00 0.00 C ATOM 900 OG1 THR A 57 8.489 0.387 -15.178 1.00 0.00 O ATOM 901 CG2 THR A 57 10.375 -0.277 -16.380 1.00 0.00 C ATOM 0 H THR A 57 7.764 -0.573 -17.138 1.00 0.00 H new ATOM 0 HA THR A 57 9.203 -2.772 -15.849 1.00 0.00 H new ATOM 0 HB THR A 57 9.954 -0.900 -14.343 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.972 1.238 -15.234 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.955 0.591 -16.065 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.050 -1.106 -16.594 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.809 -0.029 -17.278 1.00 0.00 H new ATOM 909 N GLY A 58 6.469 -1.615 -14.562 1.00 0.00 N ATOM 910 CA GLY A 58 5.477 -1.890 -13.492 1.00 0.00 C ATOM 911 C GLY A 58 5.666 -0.911 -12.334 1.00 0.00 C ATOM 912 O GLY A 58 5.242 -1.167 -11.226 1.00 0.00 O ATOM 0 H GLY A 58 6.180 -0.936 -15.266 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.467 -1.802 -13.891 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.591 -2.914 -13.135 1.00 0.00 H new ATOM 916 N TRP A 59 6.306 0.192 -12.610 1.00 0.00 N ATOM 917 CA TRP A 59 6.521 1.179 -11.530 1.00 0.00 C ATOM 918 C TRP A 59 5.190 1.762 -11.082 1.00 0.00 C ATOM 919 O TRP A 59 4.457 2.321 -11.880 1.00 0.00 O ATOM 920 CB TRP A 59 7.419 2.313 -12.058 1.00 0.00 C ATOM 921 CG TRP A 59 8.849 2.095 -11.560 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.842 1.647 -12.312 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.248 2.324 -10.339 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.889 1.614 -11.467 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.590 2.033 -10.184 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.517 2.796 -9.270 1.00 0.00 C ATOM 927 CZ2 TRP A 59 11.198 2.215 -8.960 1.00 0.00 C ATOM 928 CZ3 TRP A 59 9.125 2.979 -8.045 1.00 0.00 C ATOM 929 CH2 TRP A 59 10.466 2.688 -7.890 1.00 0.00 C ATOM 0 H TRP A 59 6.682 0.445 -13.524 1.00 0.00 H new ATOM 0 HA TRP A 59 6.997 0.686 -10.682 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.399 2.331 -13.148 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.045 3.278 -11.716 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.818 1.373 -13.356 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.820 1.307 -11.748 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.468 3.023 -9.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 12.247 1.987 -8.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 8.552 3.350 -7.208 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.942 2.831 -6.931 1.00 0.00 H new ATOM 940 N LEU A 60 4.890 1.604 -9.810 1.00 0.00 N ATOM 941 CA LEU A 60 3.607 2.145 -9.284 1.00 0.00 C ATOM 942 C LEU A 60 3.793 3.567 -8.787 1.00 0.00 C ATOM 943 O LEU A 60 4.503 3.803 -7.823 1.00 0.00 O ATOM 944 CB LEU A 60 3.147 1.270 -8.099 1.00 0.00 C ATOM 945 CG LEU A 60 1.608 1.283 -8.018 1.00 0.00 C ATOM 946 CD1 LEU A 60 1.164 0.672 -6.685 1.00 0.00 C ATOM 947 CD2 LEU A 60 1.101 2.726 -8.093 1.00 0.00 C ATOM 0 H LEU A 60 5.477 1.127 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 60 2.867 2.138 -10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.507 0.249 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.574 1.645 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 60 1.200 0.705 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.076 0.680 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.523 -0.355 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.577 1.255 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.013 2.733 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.512 3.300 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.417 3.174 -9.035 1.00 0.00 H new ATOM 959 N LYS A 61 3.151 4.487 -9.461 1.00 0.00 N ATOM 960 CA LYS A 61 3.259 5.915 -9.065 1.00 0.00 C ATOM 961 C LYS A 61 1.867 6.506 -8.886 1.00 0.00 C ATOM 962 O LYS A 61 0.913 6.012 -9.449 1.00 0.00 O ATOM 963 CB LYS A 61 3.991 6.700 -10.189 1.00 0.00 C ATOM 964 CG LYS A 61 5.066 5.813 -10.855 1.00 0.00 C ATOM 965 CD LYS A 61 5.335 6.325 -12.275 1.00 0.00 C ATOM 966 CE LYS A 61 6.226 7.566 -12.206 1.00 0.00 C ATOM 967 NZ LYS A 61 5.926 8.484 -13.341 1.00 0.00 N ATOM 0 H LYS A 61 2.556 4.306 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 61 3.813 5.988 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.271 7.033 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.455 7.594 -9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.985 5.833 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.730 4.776 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.819 5.549 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.395 6.566 -12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.067 8.083 -11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.275 7.271 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.236 9.447 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.430 8.161 -14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.902 8.486 -13.525 1.00 0.00 H new ATOM 981 N VAL A 62 1.776 7.553 -8.100 1.00 0.00 N ATOM 982 CA VAL A 62 0.441 8.195 -7.870 1.00 0.00 C ATOM 983 C VAL A 62 0.396 9.592 -8.471 1.00 0.00 C ATOM 984 O VAL A 62 1.357 10.331 -8.401 1.00 0.00 O ATOM 985 CB VAL A 62 0.203 8.312 -6.356 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.245 6.922 -5.728 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.297 9.175 -5.740 1.00 0.00 C ATOM 0 H VAL A 62 2.559 7.987 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.325 7.581 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.771 8.767 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.076 7.003 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.532 6.299 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.220 6.470 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.132 9.260 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.269 8.716 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.275 10.167 -6.191 1.00 0.00 H new ATOM 997 N THR A 63 -0.727 9.927 -9.053 1.00 0.00 N ATOM 998 CA THR A 63 -0.866 11.269 -9.667 1.00 0.00 C ATOM 999 C THR A 63 -1.598 12.218 -8.731 1.00 0.00 C ATOM 1000 O THR A 63 -1.362 13.411 -8.751 1.00 0.00 O ATOM 1001 CB THR A 63 -1.674 11.126 -10.959 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.831 10.398 -10.599 1.00 0.00 O ATOM 1003 CG2 THR A 63 -0.940 10.219 -11.958 1.00 0.00 C ATOM 0 H THR A 63 -1.548 9.327 -9.126 1.00 0.00 H new ATOM 0 HA THR A 63 0.125 11.675 -9.868 1.00 0.00 H new ATOM 0 HB THR A 63 -1.856 12.109 -11.394 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.397 10.272 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.530 10.130 -12.870 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.032 10.651 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.800 9.232 -11.518 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.479 11.663 -7.924 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.249 12.512 -6.969 1.00 0.00 C ATOM 1013 C GLN A 64 -3.025 12.038 -5.516 1.00 0.00 C ATOM 1014 O GLN A 64 -3.038 10.854 -5.246 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.743 12.371 -7.309 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.039 13.158 -8.589 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.535 13.081 -8.900 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.283 12.259 -8.220 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -7.034 13.769 -9.768 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.692 10.666 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.918 13.547 -7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.001 11.321 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.353 12.745 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.735 14.198 -8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.462 12.752 -9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.454 14.414 -10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.033 13.701 -9.961 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.823 12.984 -4.597 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.602 12.644 -3.192 1.00 0.00 C ATOM 1030 C PRO A 65 -3.796 11.889 -2.625 1.00 0.00 C ATOM 1031 O PRO A 65 -4.872 11.928 -3.190 1.00 0.00 O ATOM 1032 CB PRO A 65 -2.460 14.001 -2.468 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.637 15.120 -3.539 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.806 14.424 -4.900 1.00 0.00 C ATOM 0 HA PRO A 65 -1.727 12.006 -3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.210 14.098 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.485 14.080 -1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.507 15.736 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.771 15.782 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.729 14.734 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.988 14.675 -5.575 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.587 11.220 -1.513 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.708 10.457 -0.897 1.00 0.00 C ATOM 1044 C LEU A 66 -5.209 11.159 0.357 1.00 0.00 C ATOM 1045 O LEU A 66 -4.585 12.089 0.833 1.00 0.00 O ATOM 1046 CB LEU A 66 -4.188 9.064 -0.526 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.933 8.281 -1.820 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.507 8.549 -2.304 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -4.101 6.788 -1.552 1.00 0.00 C ATOM 0 H LEU A 66 -2.698 11.173 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.535 10.387 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.270 9.145 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.914 8.542 0.096 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.644 8.598 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.324 7.993 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.381 9.615 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.798 8.230 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.920 6.231 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.388 6.473 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.115 6.593 -1.203 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.331 10.708 0.868 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.884 11.348 2.097 1.00 0.00 C ATOM 1063 C ASP A 67 -7.441 10.316 3.067 1.00 0.00 C ATOM 1064 O ASP A 67 -8.545 9.828 2.899 1.00 0.00 O ATOM 1065 CB ASP A 67 -8.023 12.287 1.680 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.698 12.842 2.935 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.116 12.651 3.991 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.755 13.427 2.768 1.00 0.00 O ATOM 0 H ASP A 67 -6.879 9.935 0.491 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.079 11.888 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.634 13.102 1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.748 11.750 1.069 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.674 10.012 4.077 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.136 9.018 5.071 1.00 0.00 C ATOM 1075 C ARG A 68 -8.492 9.414 5.643 1.00 0.00 C ATOM 1076 O ARG A 68 -9.284 8.571 6.011 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.113 8.971 6.215 1.00 0.00 C ATOM 1078 CG ARG A 68 -6.441 7.796 7.138 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.683 7.969 8.454 1.00 0.00 C ATOM 1080 NE ARG A 68 -6.490 8.827 9.365 1.00 0.00 N ATOM 1081 CZ ARG A 68 -6.995 8.309 10.451 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -6.213 7.639 11.253 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -8.265 8.480 10.699 1.00 0.00 N ATOM 0 H ARG A 68 -5.751 10.410 4.252 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.232 8.046 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.106 8.863 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.134 9.906 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.514 7.752 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.161 6.855 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.500 6.998 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.709 8.424 8.271 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.647 9.810 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.225 7.527 11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.590 7.227 12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.845 9.011 10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.678 8.083 11.543 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.737 10.696 5.705 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.036 11.159 6.250 1.00 0.00 C ATOM 1099 C GLU A 69 -11.192 10.527 5.490 1.00 0.00 C ATOM 1100 O GLU A 69 -12.231 10.252 6.056 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.116 12.683 6.088 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.919 13.324 6.795 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.848 12.805 8.233 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.879 12.866 8.883 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -7.766 12.379 8.601 1.00 0.00 O ATOM 0 H GLU A 69 -8.098 11.432 5.404 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.105 10.873 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.116 12.950 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.048 13.058 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.997 13.086 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.018 14.410 6.792 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.982 10.305 4.216 1.00 0.00 N ATOM 1113 CA ALA A 70 -12.053 9.689 3.389 1.00 0.00 C ATOM 1114 C ALA A 70 -11.732 8.232 3.115 1.00 0.00 C ATOM 1115 O ALA A 70 -12.507 7.350 3.436 1.00 0.00 O ATOM 1116 CB ALA A 70 -12.121 10.441 2.050 1.00 0.00 C ATOM 0 H ALA A 70 -10.118 10.524 3.719 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.003 9.750 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.902 10.005 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.348 11.491 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.162 10.361 1.539 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.587 8.012 2.525 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.164 6.627 2.205 1.00 0.00 C ATOM 1124 C ILE A 71 -8.898 6.270 2.967 1.00 0.00 C ATOM 1125 O ILE A 71 -7.838 6.792 2.689 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.869 6.558 0.711 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.042 7.125 -0.080 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.670 5.086 0.317 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -12.151 6.075 -0.170 1.00 0.00 C ATOM 0 H ILE A 71 -9.926 8.739 2.251 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.954 5.930 2.485 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.973 7.139 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.418 8.027 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.716 7.412 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.458 5.020 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.835 4.669 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.576 4.523 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.990 6.480 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.770 5.186 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.484 5.810 0.834 1.00 0.00 H new ATOM 1141 N ALA A 72 -9.027 5.384 3.914 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.840 4.985 4.704 1.00 0.00 C ATOM 1143 C ALA A 72 -7.127 3.812 4.044 1.00 0.00 C ATOM 1144 O ALA A 72 -6.039 3.438 4.439 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.313 4.556 6.102 1.00 0.00 C ATOM 0 H ALA A 72 -9.900 4.923 4.171 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.149 5.826 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.453 4.258 6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.821 5.390 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.001 3.716 6.011 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.755 3.256 3.047 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.139 2.107 2.341 1.00 0.00 C ATOM 1153 C LYS A 73 -7.765 1.931 0.963 1.00 0.00 C ATOM 1154 O LYS A 73 -8.964 1.772 0.837 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.385 0.838 3.171 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.000 -0.391 2.343 1.00 0.00 C ATOM 1157 CD LYS A 73 -6.834 -1.594 3.276 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.216 -2.161 3.614 1.00 0.00 C ATOM 1159 NZ LYS A 73 -8.924 -2.591 2.375 1.00 0.00 N ATOM 0 H LYS A 73 -8.666 3.549 2.693 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.071 2.287 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.798 0.871 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.433 0.779 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.768 -0.597 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.072 -0.204 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.221 -2.358 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.317 -1.294 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.112 -3.008 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.807 -1.407 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.549 -3.394 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.491 -1.801 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.227 -2.879 1.659 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.935 1.963 -0.044 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.442 1.802 -1.427 1.00 0.00 C ATOM 1175 C TYR A 74 -7.232 0.369 -1.921 1.00 0.00 C ATOM 1176 O TYR A 74 -6.264 -0.276 -1.564 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.645 2.752 -2.345 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.969 4.221 -2.010 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.755 4.725 -0.736 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.452 5.068 -2.987 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -7.022 6.048 -0.453 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.716 6.394 -2.701 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.503 6.894 -1.431 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.761 8.223 -1.144 1.00 0.00 O ATOM 0 H TYR A 74 -5.927 2.094 0.036 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.508 2.029 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.577 2.572 -2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.887 2.548 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.376 4.077 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.625 4.691 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.853 6.426 0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.092 7.045 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.093 8.673 -1.949 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.153 -0.094 -2.736 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.047 -1.478 -3.281 1.00 0.00 C ATOM 1196 C ILE A 75 -7.999 -1.443 -4.801 1.00 0.00 C ATOM 1197 O ILE A 75 -8.979 -1.121 -5.445 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.287 -2.261 -2.849 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.263 -2.475 -1.345 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.263 -3.635 -3.537 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -10.458 -3.343 -0.951 1.00 0.00 C ATOM 0 H ILE A 75 -8.972 0.431 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.138 -1.947 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.183 -1.705 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.332 -2.957 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.305 -1.517 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.142 -4.207 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.267 -3.500 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.363 -4.174 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.451 -3.504 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.382 -2.841 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.394 -4.304 -1.461 1.00 0.00 H new ATOM 1213 N LEU A 76 -6.856 -1.776 -5.349 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.714 -1.770 -6.831 1.00 0.00 C ATOM 1215 C LEU A 76 -6.672 -3.184 -7.389 1.00 0.00 C ATOM 1216 O LEU A 76 -6.431 -4.125 -6.668 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.375 -1.087 -7.179 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.519 0.434 -7.070 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.443 0.933 -8.184 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.113 0.797 -5.706 1.00 0.00 C ATOM 0 H LEU A 76 -6.020 -2.050 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.568 -1.246 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.593 -1.436 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.070 -1.360 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.540 0.903 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.549 2.015 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.017 0.675 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.422 0.465 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.215 1.880 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.093 0.332 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.454 0.438 -4.915 1.00 0.00 H new ATOM 1232 N TYR A 77 -6.933 -3.300 -8.671 1.00 0.00 N ATOM 1233 CA TYR A 77 -6.912 -4.638 -9.322 1.00 0.00 C ATOM 1234 C TYR A 77 -6.003 -4.569 -10.531 1.00 0.00 C ATOM 1235 O TYR A 77 -6.006 -3.579 -11.237 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.336 -4.998 -9.768 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.120 -5.519 -8.561 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.719 -4.639 -7.683 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.243 -6.877 -8.337 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.430 -5.109 -6.597 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -9.954 -7.345 -7.252 1.00 0.00 C ATOM 1242 CZ TYR A 77 -10.554 -6.465 -6.374 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.267 -6.935 -5.290 1.00 0.00 O ATOM 0 H TYR A 77 -7.159 -2.521 -9.290 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.548 -5.395 -8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.831 -4.123 -10.189 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.305 -5.755 -10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.631 -3.575 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.779 -7.577 -9.016 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.893 -4.410 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.042 -8.409 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.252 -7.915 -5.288 1.00 0.00 H new ATOM 1253 N SER A 78 -5.234 -5.614 -10.761 1.00 0.00 N ATOM 1254 CA SER A 78 -4.317 -5.589 -11.938 1.00 0.00 C ATOM 1255 C SER A 78 -4.361 -6.863 -12.766 1.00 0.00 C ATOM 1256 O SER A 78 -4.784 -7.915 -12.308 1.00 0.00 O ATOM 1257 CB SER A 78 -2.885 -5.407 -11.416 1.00 0.00 C ATOM 1258 OG SER A 78 -2.619 -6.608 -10.707 1.00 0.00 O ATOM 0 H SER A 78 -5.205 -6.462 -10.195 1.00 0.00 H new ATOM 0 HA SER A 78 -4.638 -4.773 -12.585 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.178 -5.262 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.805 -4.535 -10.767 1.00 0.00 H new ATOM 0 HG SER A 78 -1.712 -6.576 -10.337 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.907 -6.718 -13.986 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.874 -7.855 -14.930 1.00 0.00 C ATOM 1266 C HIS A 79 -2.490 -7.911 -15.597 1.00 0.00 C ATOM 1267 O HIS A 79 -1.958 -6.890 -15.993 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.939 -7.609 -16.017 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.242 -7.153 -15.358 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -6.502 -6.020 -14.610 1.00 0.00 N flip ATOM 1271 CD2 HIS A 79 -7.324 -7.776 -15.406 1.00 0.00 C flip ATOM 1272 CE1 HIS A 79 -7.809 -6.030 -14.226 1.00 0.00 C flip ATOM 1273 NE2 HIS A 79 -8.238 -7.168 -14.773 1.00 0.00 N flip ATOM 0 H HIS A 79 -3.553 -5.840 -14.366 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.070 -8.790 -14.406 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.590 -6.852 -16.719 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.108 -8.521 -16.589 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.463 -8.715 -15.922 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.353 -5.308 -13.635 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.195 -7.511 -14.691 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.936 -9.092 -15.705 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.587 -9.223 -16.344 1.00 0.00 C ATOM 1283 C ALA A 80 -0.677 -9.760 -17.777 1.00 0.00 C ATOM 1284 O ALA A 80 -1.494 -10.603 -18.078 1.00 0.00 O ATOM 1285 CB ALA A 80 0.234 -10.216 -15.503 1.00 0.00 C ATOM 0 H ALA A 80 -2.353 -9.965 -15.382 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.125 -8.237 -16.386 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.224 -10.334 -15.943 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.332 -9.837 -14.486 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.272 -11.181 -15.484 1.00 0.00 H new ATOM 1291 N VAL A 81 0.179 -9.257 -18.636 1.00 0.00 N ATOM 1292 CA VAL A 81 0.161 -9.729 -20.058 1.00 0.00 C ATOM 1293 C VAL A 81 1.580 -9.930 -20.559 1.00 0.00 C ATOM 1294 O VAL A 81 2.397 -9.051 -20.454 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.522 -8.668 -20.927 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -2.015 -8.992 -21.047 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.358 -7.294 -20.276 1.00 0.00 C ATOM 0 H VAL A 81 0.881 -8.549 -18.418 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.380 -10.674 -20.114 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.066 -8.662 -21.917 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.502 -8.238 -21.665 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.139 -9.973 -21.506 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.467 -8.996 -20.055 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.844 -6.538 -20.894 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.816 -7.303 -19.287 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.702 -7.060 -20.183 1.00 0.00 H new ATOM 1307 N SER A 82 1.847 -11.074 -21.123 1.00 0.00 N ATOM 1308 CA SER A 82 3.225 -11.317 -21.626 1.00 0.00 C ATOM 1309 C SER A 82 3.582 -10.351 -22.743 1.00 0.00 C ATOM 1310 O SER A 82 2.893 -10.265 -23.743 1.00 0.00 O ATOM 1311 CB SER A 82 3.323 -12.748 -22.159 1.00 0.00 C ATOM 1312 OG SER A 82 2.416 -12.776 -23.247 1.00 0.00 O ATOM 0 H SER A 82 1.184 -11.838 -21.256 1.00 0.00 H new ATOM 0 HA SER A 82 3.920 -11.166 -20.800 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.337 -12.985 -22.480 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.052 -13.477 -21.395 1.00 0.00 H new ATOM 0 HG SER A 82 1.537 -12.461 -22.949 1.00 0.00 H new ATOM 1318 N SER A 83 4.661 -9.644 -22.554 1.00 0.00 N ATOM 1319 CA SER A 83 5.091 -8.673 -23.585 1.00 0.00 C ATOM 1320 C SER A 83 5.262 -9.351 -24.939 1.00 0.00 C ATOM 1321 O SER A 83 5.640 -8.720 -25.907 1.00 0.00 O ATOM 1322 CB SER A 83 6.446 -8.084 -23.156 1.00 0.00 C ATOM 1323 OG SER A 83 7.398 -9.023 -23.633 1.00 0.00 O ATOM 0 H SER A 83 5.260 -9.700 -21.730 1.00 0.00 H new ATOM 0 HA SER A 83 4.332 -7.897 -23.679 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.607 -7.097 -23.590 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.506 -7.970 -22.074 1.00 0.00 H new ATOM 0 HG SER A 83 8.004 -8.582 -24.265 1.00 0.00 H new ATOM 1329 N ASN A 84 4.979 -10.626 -24.988 1.00 0.00 N ATOM 1330 CA ASN A 84 5.124 -11.347 -26.278 1.00 0.00 C ATOM 1331 C ASN A 84 3.850 -11.243 -27.102 1.00 0.00 C ATOM 1332 O ASN A 84 3.899 -11.237 -28.317 1.00 0.00 O ATOM 1333 CB ASN A 84 5.415 -12.828 -25.981 1.00 0.00 C ATOM 1334 CG ASN A 84 4.123 -13.538 -25.569 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.099 -13.518 -26.377 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 4.037 -14.127 -24.513 1.00 0.00 N flip ATOM 0 H ASN A 84 4.658 -11.189 -24.201 1.00 0.00 H new ATOM 0 HA ASN A 84 5.940 -10.900 -26.846 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.840 -13.308 -26.862 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.155 -12.910 -25.185 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.832 -14.148 -23.875 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.169 -14.601 -24.263 1.00 0.00 H new ATOM 1343 N GLY A 85 2.728 -11.162 -26.424 1.00 0.00 N ATOM 1344 CA GLY A 85 1.427 -11.058 -27.156 1.00 0.00 C ATOM 1345 C GLY A 85 0.398 -12.042 -26.591 1.00 0.00 C ATOM 1346 O GLY A 85 -0.612 -12.300 -27.217 1.00 0.00 O ATOM 0 H GLY A 85 2.658 -11.163 -25.406 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.043 -10.041 -27.079 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.585 -11.260 -28.215 1.00 0.00 H new ATOM 1350 N GLU A 86 0.677 -12.570 -25.419 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.274 -13.540 -24.796 1.00 0.00 C ATOM 1352 C GLU A 86 -0.723 -13.055 -23.425 1.00 0.00 C ATOM 1353 O GLU A 86 0.083 -12.664 -22.600 1.00 0.00 O ATOM 1354 CB GLU A 86 0.437 -14.894 -24.639 1.00 0.00 C ATOM 1355 CG GLU A 86 0.416 -15.626 -25.981 1.00 0.00 C ATOM 1356 CD GLU A 86 -0.994 -16.161 -26.239 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -1.269 -17.233 -25.723 1.00 0.00 O ATOM 1358 OE2 GLU A 86 -1.715 -15.469 -26.936 1.00 0.00 O ATOM 0 H GLU A 86 1.516 -12.371 -24.874 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.151 -13.635 -25.436 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.465 -14.743 -24.308 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.059 -15.493 -23.875 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.714 -14.950 -26.782 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.134 -16.446 -25.973 1.00 0.00 H new ATOM 1365 N ALA A 87 -2.007 -13.081 -23.212 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.540 -12.629 -21.909 1.00 0.00 C ATOM 1367 C ALA A 87 -2.200 -13.616 -20.796 1.00 0.00 C ATOM 1368 O ALA A 87 -2.576 -14.771 -20.851 1.00 0.00 O ATOM 1369 CB ALA A 87 -4.067 -12.521 -22.024 1.00 0.00 C ATOM 0 H ALA A 87 -2.706 -13.396 -23.885 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.091 -11.667 -21.662 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.481 -12.189 -21.072 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.323 -11.802 -22.802 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.482 -13.496 -22.280 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.495 -13.131 -19.804 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.104 -14.002 -18.658 1.00 0.00 C ATOM 1377 C VAL A 88 -1.539 -13.343 -17.370 1.00 0.00 C ATOM 1378 O VAL A 88 -0.918 -13.499 -16.340 1.00 0.00 O ATOM 1379 CB VAL A 88 0.430 -14.147 -18.646 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.934 -14.325 -20.076 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.060 -12.882 -18.053 1.00 0.00 C ATOM 0 H VAL A 88 -1.173 -12.165 -19.740 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.575 -14.980 -18.755 1.00 0.00 H new ATOM 0 HB VAL A 88 0.704 -15.013 -18.044 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.019 -14.428 -20.069 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.488 -15.219 -20.510 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.656 -13.455 -20.671 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.145 -12.985 -18.045 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.782 -12.019 -18.658 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.701 -12.741 -17.033 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.612 -12.619 -17.454 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.117 -11.930 -16.257 1.00 0.00 C ATOM 1393 C GLU A 89 -3.902 -12.845 -15.344 1.00 0.00 C ATOM 1394 O GLU A 89 -4.256 -13.952 -15.696 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.057 -10.805 -16.709 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.918 -11.299 -17.869 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.009 -10.265 -18.160 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -5.653 -9.249 -18.734 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.136 -10.548 -17.788 1.00 0.00 O ATOM 0 H GLU A 89 -3.158 -12.478 -18.304 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.254 -11.558 -15.705 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.691 -10.490 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.478 -9.934 -17.016 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.302 -11.455 -18.755 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.368 -12.260 -17.620 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.150 -12.340 -14.177 1.00 0.00 N ATOM 1407 CA ASP A 90 -4.906 -13.100 -13.173 1.00 0.00 C ATOM 1408 C ASP A 90 -5.544 -12.107 -12.207 1.00 0.00 C ATOM 1409 O ASP A 90 -4.970 -11.076 -11.917 1.00 0.00 O ATOM 1410 CB ASP A 90 -3.934 -14.004 -12.399 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.123 -14.839 -13.391 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -2.139 -14.302 -13.872 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.535 -15.966 -13.610 1.00 0.00 O ATOM 0 H ASP A 90 -3.852 -11.412 -13.876 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.673 -13.710 -13.650 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.267 -13.399 -11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.486 -14.656 -11.723 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.716 -12.422 -11.718 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.395 -11.533 -10.793 1.00 0.00 C ATOM 1420 C PRO A 91 -6.490 -11.183 -9.606 1.00 0.00 C ATOM 1421 O PRO A 91 -6.509 -11.844 -8.584 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.646 -12.327 -10.326 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.629 -13.694 -11.082 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.410 -13.680 -12.019 1.00 0.00 C ATOM 0 HA PRO A 91 -7.663 -10.584 -11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.623 -12.483 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.559 -11.774 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.563 -14.523 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.549 -13.831 -11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.764 -14.540 -11.840 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.715 -13.722 -13.065 1.00 0.00 H new ATOM 1432 N MET A 92 -5.700 -10.142 -9.776 1.00 0.00 N ATOM 1433 CA MET A 92 -4.784 -9.725 -8.679 1.00 0.00 C ATOM 1434 C MET A 92 -5.297 -8.470 -7.989 1.00 0.00 C ATOM 1435 O MET A 92 -5.272 -7.394 -8.555 1.00 0.00 O ATOM 1436 CB MET A 92 -3.408 -9.419 -9.292 1.00 0.00 C ATOM 1437 CG MET A 92 -2.615 -10.723 -9.420 1.00 0.00 C ATOM 1438 SD MET A 92 -1.764 -11.328 -7.941 1.00 0.00 S ATOM 1439 CE MET A 92 -1.190 -12.898 -8.635 1.00 0.00 C ATOM 0 H MET A 92 -5.656 -9.573 -10.622 1.00 0.00 H new ATOM 0 HA MET A 92 -4.722 -10.527 -7.944 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.527 -8.954 -10.271 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.867 -8.710 -8.666 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.299 -11.502 -9.757 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.871 -10.590 -10.206 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.629 -13.447 -7.878 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.048 -13.491 -8.952 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.547 -12.703 -9.493 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.751 -8.630 -6.775 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.270 -7.458 -6.030 1.00 0.00 C ATOM 1451 C GLU A 93 -5.179 -6.861 -5.151 1.00 0.00 C ATOM 1452 O GLU A 93 -4.766 -7.457 -4.175 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.432 -7.924 -5.142 1.00 0.00 C ATOM 1454 CG GLU A 93 -6.954 -9.066 -4.249 1.00 0.00 C ATOM 1455 CD GLU A 93 -8.035 -10.146 -4.188 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -8.211 -10.793 -5.208 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -8.624 -10.264 -3.126 1.00 0.00 O ATOM 0 H GLU A 93 -5.783 -9.518 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.605 -6.699 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.794 -7.096 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.267 -8.254 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.027 -9.485 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.738 -8.694 -3.247 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.738 -5.691 -5.514 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.676 -5.028 -4.723 1.00 0.00 C ATOM 1466 C ILE A 94 -4.262 -4.181 -3.598 1.00 0.00 C ATOM 1467 O ILE A 94 -5.172 -3.401 -3.813 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.902 -4.103 -5.661 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.988 -4.915 -6.564 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.041 -3.158 -4.811 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.608 -4.067 -7.781 1.00 0.00 C ATOM 0 H ILE A 94 -5.069 -5.168 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.037 -5.794 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.605 -3.541 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.092 -5.216 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.489 -5.829 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.481 -2.490 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.684 -2.570 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.346 -3.742 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.952 -4.642 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.510 -3.788 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.091 -3.166 -7.450 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.721 -4.350 -2.416 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.218 -3.569 -1.254 1.00 0.00 C ATOM 1485 C VAL A 95 -3.260 -2.428 -0.951 1.00 0.00 C ATOM 1486 O VAL A 95 -2.059 -2.617 -0.947 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.279 -4.503 -0.033 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.935 -3.761 1.136 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.115 -5.738 -0.383 1.00 0.00 C ATOM 0 H VAL A 95 -2.958 -4.995 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.204 -3.162 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.271 -4.811 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.981 -4.418 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.347 -2.876 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.944 -3.460 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.161 -6.403 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.124 -5.429 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.656 -6.262 -1.221 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.804 -1.260 -0.706 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.931 -0.092 -0.401 1.00 0.00 C ATOM 1501 C ILE A 96 -3.453 0.688 0.800 1.00 0.00 C ATOM 1502 O ILE A 96 -4.512 1.271 0.752 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.931 0.820 -1.627 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.849 -0.025 -2.890 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.694 1.730 -1.568 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.818 0.895 -4.114 1.00 0.00 C ATOM 0 H ILE A 96 -4.806 -1.070 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.927 -0.443 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.844 1.415 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.955 -0.648 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.705 -0.697 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.683 2.386 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.728 2.332 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.792 1.118 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.759 0.293 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.725 1.499 -4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.948 1.549 -4.056 1.00 0.00 H new ATOM 1518 N THR A 97 -2.695 0.677 1.861 1.00 0.00 N ATOM 1519 CA THR A 97 -3.125 1.411 3.076 1.00 0.00 C ATOM 1520 C THR A 97 -2.596 2.840 3.056 1.00 0.00 C ATOM 1521 O THR A 97 -1.519 3.098 2.552 1.00 0.00 O ATOM 1522 CB THR A 97 -2.557 0.684 4.304 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.428 1.013 5.367 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.198 1.274 4.721 1.00 0.00 C ATOM 0 H THR A 97 -1.801 0.193 1.936 1.00 0.00 H new ATOM 0 HA THR A 97 -4.214 1.444 3.111 1.00 0.00 H new ATOM 0 HB THR A 97 -2.456 -0.379 4.086 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.121 0.576 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.821 0.739 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.490 1.173 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.319 2.329 4.967 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.361 3.744 3.606 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.915 5.160 3.624 1.00 0.00 C ATOM 1534 C VAL A 98 -2.210 5.505 4.932 1.00 0.00 C ATOM 1535 O VAL A 98 -2.511 4.943 5.969 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.153 6.057 3.477 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.708 7.521 3.387 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.899 5.676 2.194 1.00 0.00 C ATOM 0 H VAL A 98 -4.267 3.563 4.039 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.212 5.317 2.806 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.809 5.925 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.584 8.162 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.166 7.793 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.058 7.651 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.779 6.309 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.242 5.815 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.207 4.632 2.249 1.00 0.00 H new ATOM 1548 N THR A 99 -1.276 6.428 4.850 1.00 0.00 N ATOM 1549 CA THR A 99 -0.521 6.843 6.069 1.00 0.00 C ATOM 1550 C THR A 99 -0.593 8.356 6.252 1.00 0.00 C ATOM 1551 O THR A 99 -0.380 9.106 5.323 1.00 0.00 O ATOM 1552 CB THR A 99 0.949 6.441 5.889 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.076 6.082 4.528 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.261 5.151 6.660 1.00 0.00 C ATOM 0 H THR A 99 -1.008 6.908 3.991 1.00 0.00 H new ATOM 0 HA THR A 99 -0.956 6.358 6.943 1.00 0.00 H new ATOM 0 HB THR A 99 1.596 7.252 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.001 5.814 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.309 4.886 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.067 5.306 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.629 4.344 6.290 1.00 0.00 H new ATOM 1562 N ASP A 100 -0.890 8.777 7.453 1.00 0.00 N ATOM 1563 CA ASP A 100 -0.981 10.239 7.713 1.00 0.00 C ATOM 1564 C ASP A 100 0.283 10.956 7.249 1.00 0.00 C ATOM 1565 O ASP A 100 1.288 10.332 6.972 1.00 0.00 O ATOM 1566 CB ASP A 100 -1.142 10.453 9.227 1.00 0.00 C ATOM 1567 CG ASP A 100 -2.620 10.684 9.554 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -3.112 11.722 9.140 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -3.175 9.810 10.202 1.00 0.00 O ATOM 0 H ASP A 100 -1.072 8.176 8.257 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.832 10.644 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.770 9.584 9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.549 11.309 9.550 1.00 0.00 H new ATOM 1574 N GLN A 101 0.206 12.260 7.170 1.00 0.00 N ATOM 1575 CA GLN A 101 1.390 13.041 6.726 1.00 0.00 C ATOM 1576 C GLN A 101 1.468 14.374 7.465 1.00 0.00 C ATOM 1577 O GLN A 101 0.778 14.585 8.444 1.00 0.00 O ATOM 1578 CB GLN A 101 1.252 13.315 5.221 1.00 0.00 C ATOM 1579 CG GLN A 101 1.676 12.070 4.443 1.00 0.00 C ATOM 1580 CD GLN A 101 3.159 11.792 4.698 1.00 0.00 C ATOM 1581 OE1 GLN A 101 3.999 12.792 4.702 1.00 0.00 O flip ATOM 1582 NE2 GLN A 101 3.566 10.666 4.895 1.00 0.00 N flip ATOM 0 H GLN A 101 -0.623 12.811 7.393 1.00 0.00 H new ATOM 0 HA GLN A 101 2.294 12.471 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.222 13.576 4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.871 14.165 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.076 11.214 4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.500 12.216 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.915 9.881 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.559 10.505 5.062 1.00 0.00 H new ATOM 1591 N ASN A 102 2.308 15.251 6.982 1.00 0.00 N ATOM 1592 CA ASN A 102 2.442 16.574 7.646 1.00 0.00 C ATOM 1593 C ASN A 102 2.793 17.658 6.633 1.00 0.00 C ATOM 1594 O ASN A 102 2.456 17.557 5.469 1.00 0.00 O ATOM 1595 CB ASN A 102 3.572 16.482 8.683 1.00 0.00 C ATOM 1596 CG ASN A 102 3.295 17.467 9.822 1.00 0.00 C ATOM 1597 OD1 ASN A 102 3.949 18.597 9.857 1.00 0.00 O flip ATOM 1598 ND2 ASN A 102 2.482 17.216 10.690 1.00 0.00 N flip ATOM 0 H ASN A 102 2.901 15.108 6.164 1.00 0.00 H new ATOM 0 HA ASN A 102 1.494 16.833 8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.641 15.467 9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.530 16.709 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.968 16.335 10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.314 17.886 11.440 1.00 0.00 H new ATOM 1605 N ASP A 103 3.465 18.679 7.093 1.00 0.00 N ATOM 1606 CA ASP A 103 3.844 19.775 6.169 1.00 0.00 C ATOM 1607 C ASP A 103 4.724 20.800 6.873 1.00 0.00 C ATOM 1608 O ASP A 103 4.477 21.161 8.008 1.00 0.00 O ATOM 1609 CB ASP A 103 2.558 20.471 5.695 1.00 0.00 C ATOM 1610 CG ASP A 103 2.908 21.851 5.133 1.00 0.00 C ATOM 1611 OD1 ASP A 103 2.966 22.766 5.939 1.00 0.00 O ATOM 1612 OD2 ASP A 103 3.099 21.913 3.929 1.00 0.00 O ATOM 0 H ASP A 103 3.764 18.797 8.061 1.00 0.00 H new ATOM 0 HA ASP A 103 4.400 19.357 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.065 19.869 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.858 20.570 6.524 1.00 0.00 H new ATOM 1617 N ASN A 104 5.738 21.253 6.187 1.00 0.00 N ATOM 1618 CA ASN A 104 6.645 22.254 6.799 1.00 0.00 C ATOM 1619 C ASN A 104 5.853 23.426 7.363 1.00 0.00 C ATOM 1620 O ASN A 104 5.751 23.476 8.577 1.00 0.00 O ATOM 1621 CB ASN A 104 7.594 22.776 5.711 1.00 0.00 C ATOM 1622 CG ASN A 104 6.823 22.928 4.397 1.00 0.00 C ATOM 1623 OD1 ASN A 104 6.668 21.884 3.629 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 6.355 23.997 4.061 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 5.393 24.209 6.549 1.00 0.00 O ATOM 0 H ASN A 104 5.973 20.973 5.235 1.00 0.00 H new ATOM 0 HA ASN A 104 7.200 21.784 7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 104 8.017 23.735 6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.428 22.087 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 104 6.473 24.816 4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.843 24.076 3.182 1.00 0.00 H new TER 1632 ASN A 104