USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 848 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 67 ASN :FLIP amide:sc= -0.043 F(o=-1.6,f=-0.043) USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=-0.043) USER MOD Set 2.1: A 33 THR OG1 : rot -64:sc= 1.16 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.1: A 30 ASN : amide:sc= -0.425 X(o=-0.48,f=-0.57) USER MOD Set 3.2: A 31 SER OG : rot 180:sc= -0.0564 USER MOD Set 4.1: A 25 THR OG1 : rot -120:sc= 0.0182 USER MOD Set 4.2: A 35 SER OG : rot 72:sc= -0.0364 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.126 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.192 USER MOD Single : A 3 SER OG : rot 31:sc= 0.223 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -106:sc= 1.19 (180deg=0.00659) USER MOD Single : A 23 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.91) USER MOD Single : A 28 THR OG1 : rot -28:sc= 0.672 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 128:sc= 0.571 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 42:sc= 1.26 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 61 SER OG : rot 66:sc= 0.149 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -112:sc= 0.171 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 85 TYR OH : rot 165:sc= 0.259 USER MOD Single : A 88 MET CE :methyl 167:sc= 0 (180deg=-0.14) USER MOD Single : A 93 ASN : amide:sc= 0.489 K(o=0.49,f=-9.5!) USER MOD Single : A 95 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 98 SER OG : rot 80:sc= 0.225 USER MOD Single : A 101 SER OG : rot 170:sc= 0.453 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 63:sc= 0.922 USER MOD Single : A 109 THR OG1 : rot -165:sc= 1.81 USER MOD Single : A 110 GLN : amide:sc=-0.00927 K(o=-0.0093,f=-0.65) USER MOD Single : A 112 SER OG : rot -49:sc= 0.037 USER MOD Single : A 115 SER OG : rot 24:sc= 0.457 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.143 5.190 16.589 1.00 0.00 N ATOM 2 CA GLY A 1 -2.580 3.880 16.952 1.00 0.00 C ATOM 3 C GLY A 1 -1.060 3.908 16.863 1.00 0.00 C ATOM 4 O GLY A 1 -0.485 4.862 16.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.568 5.630 17.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.387 5.803 16.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.872 5.064 15.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.886 3.614 17.964 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.975 3.111 16.287 1.00 0.00 H new ATOM 8 N SER A 2 -0.383 2.902 17.422 1.00 0.00 N ATOM 9 CA SER A 2 1.061 2.905 17.600 1.00 0.00 C ATOM 10 C SER A 2 1.598 1.488 17.419 1.00 0.00 C ATOM 11 O SER A 2 1.312 0.630 18.249 1.00 0.00 O ATOM 12 CB SER A 2 1.392 3.476 18.993 1.00 0.00 C ATOM 13 OG SER A 2 0.652 2.846 20.030 1.00 0.00 O ATOM 0 H SER A 2 -0.833 2.054 17.766 1.00 0.00 H new ATOM 0 HA SER A 2 1.541 3.537 16.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.458 3.356 19.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.185 4.546 19.002 1.00 0.00 H new ATOM 0 HG SER A 2 0.569 1.889 19.838 1.00 0.00 H new ATOM 19 N SER A 3 2.405 1.254 16.383 1.00 0.00 N ATOM 20 CA SER A 3 3.169 0.026 16.197 1.00 0.00 C ATOM 21 C SER A 3 4.419 0.322 15.374 1.00 0.00 C ATOM 22 O SER A 3 4.422 1.259 14.571 1.00 0.00 O ATOM 23 CB SER A 3 2.319 -0.996 15.438 1.00 0.00 C ATOM 24 OG SER A 3 1.493 -1.727 16.321 1.00 0.00 O ATOM 0 H SER A 3 2.547 1.931 15.634 1.00 0.00 H new ATOM 0 HA SER A 3 3.448 -0.370 17.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.703 -0.484 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.969 -1.680 14.892 1.00 0.00 H new ATOM 0 HG SER A 3 1.251 -1.163 17.085 1.00 0.00 H new ATOM 30 N GLY A 4 5.435 -0.522 15.551 1.00 0.00 N ATOM 31 CA GLY A 4 6.521 -0.751 14.615 1.00 0.00 C ATOM 32 C GLY A 4 6.274 -2.102 13.946 1.00 0.00 C ATOM 33 O GLY A 4 5.121 -2.426 13.637 1.00 0.00 O ATOM 0 H GLY A 4 5.522 -1.089 16.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.559 0.044 13.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.480 -0.749 15.133 1.00 0.00 H new ATOM 37 N SER A 5 7.319 -2.900 13.714 1.00 0.00 N ATOM 38 CA SER A 5 7.136 -4.315 13.395 1.00 0.00 C ATOM 39 C SER A 5 6.930 -5.097 14.698 1.00 0.00 C ATOM 40 O SER A 5 7.113 -4.549 15.790 1.00 0.00 O ATOM 41 CB SER A 5 8.305 -4.824 12.547 1.00 0.00 C ATOM 42 OG SER A 5 9.549 -4.706 13.206 1.00 0.00 O ATOM 0 H SER A 5 8.291 -2.593 13.741 1.00 0.00 H new ATOM 0 HA SER A 5 6.244 -4.463 12.787 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.133 -5.869 12.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.340 -4.266 11.611 1.00 0.00 H new ATOM 0 HG SER A 5 10.261 -5.045 12.624 1.00 0.00 H new ATOM 48 N SER A 6 6.515 -6.362 14.605 1.00 0.00 N ATOM 49 CA SER A 6 6.127 -7.146 15.772 1.00 0.00 C ATOM 50 C SER A 6 5.969 -8.612 15.372 1.00 0.00 C ATOM 51 O SER A 6 4.881 -9.054 15.000 1.00 0.00 O ATOM 52 CB SER A 6 4.848 -6.556 16.398 1.00 0.00 C ATOM 53 OG SER A 6 3.975 -5.929 15.459 1.00 0.00 O ATOM 0 H SER A 6 6.440 -6.867 13.722 1.00 0.00 H new ATOM 0 HA SER A 6 6.904 -7.100 16.535 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.305 -7.352 16.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.131 -5.827 17.157 1.00 0.00 H new ATOM 0 HG SER A 6 3.187 -5.581 15.927 1.00 0.00 H new ATOM 59 N GLY A 7 7.058 -9.381 15.375 1.00 0.00 N ATOM 60 CA GLY A 7 7.079 -10.789 14.980 1.00 0.00 C ATOM 61 C GLY A 7 7.007 -10.982 13.467 1.00 0.00 C ATOM 62 O GLY A 7 7.646 -11.889 12.930 1.00 0.00 O ATOM 0 H GLY A 7 7.973 -9.033 15.660 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.990 -11.254 15.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.240 -11.305 15.448 1.00 0.00 H new ATOM 66 N LYS A 8 6.266 -10.136 12.748 1.00 0.00 N ATOM 67 CA LYS A 8 6.517 -9.893 11.333 1.00 0.00 C ATOM 68 C LYS A 8 7.862 -9.181 11.178 1.00 0.00 C ATOM 69 O LYS A 8 8.340 -8.509 12.102 1.00 0.00 O ATOM 70 CB LYS A 8 5.375 -9.077 10.701 1.00 0.00 C ATOM 71 CG LYS A 8 5.096 -7.750 11.428 1.00 0.00 C ATOM 72 CD LYS A 8 4.184 -6.810 10.638 1.00 0.00 C ATOM 73 CE LYS A 8 4.917 -6.172 9.453 1.00 0.00 C ATOM 74 NZ LYS A 8 4.159 -5.037 8.892 1.00 0.00 N ATOM 0 H LYS A 8 5.482 -9.606 13.130 1.00 0.00 H new ATOM 0 HA LYS A 8 6.557 -10.846 10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.621 -8.867 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.466 -9.679 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.639 -7.962 12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.042 -7.246 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.318 -7.363 10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.809 -6.028 11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.901 -5.830 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.078 -6.921 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.685 -4.630 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.230 -5.369 8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.027 -4.311 9.625 1.00 0.00 H new ATOM 88 N ASN A 9 8.434 -9.275 9.986 1.00 0.00 N ATOM 89 CA ASN A 9 9.642 -8.608 9.547 1.00 0.00 C ATOM 90 C ASN A 9 9.512 -8.416 8.041 1.00 0.00 C ATOM 91 O ASN A 9 8.711 -9.105 7.403 1.00 0.00 O ATOM 92 CB ASN A 9 10.872 -9.482 9.845 1.00 0.00 C ATOM 93 CG ASN A 9 10.946 -10.715 8.945 1.00 0.00 C ATOM 94 OD1 ASN A 9 10.292 -11.721 9.211 1.00 0.00 O ATOM 95 ND2 ASN A 9 11.703 -10.656 7.862 1.00 0.00 N ATOM 0 H ASN A 9 8.035 -9.861 9.253 1.00 0.00 H new ATOM 0 HA ASN A 9 9.768 -7.657 10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.776 -8.887 9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.845 -9.798 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.752 -11.455 7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.238 -9.812 7.659 1.00 0.00 H new ATOM 102 N TYR A 10 10.354 -7.557 7.476 1.00 0.00 N ATOM 103 CA TYR A 10 10.588 -7.431 6.060 1.00 0.00 C ATOM 104 C TYR A 10 12.081 -7.183 5.875 1.00 0.00 C ATOM 105 O TYR A 10 12.824 -8.159 5.792 1.00 0.00 O ATOM 106 CB TYR A 10 9.691 -6.327 5.502 1.00 0.00 C ATOM 107 CG TYR A 10 8.288 -6.819 5.218 1.00 0.00 C ATOM 108 CD1 TYR A 10 8.073 -7.747 4.182 1.00 0.00 C ATOM 109 CD2 TYR A 10 7.217 -6.430 6.042 1.00 0.00 C ATOM 110 CE1 TYR A 10 6.812 -8.342 4.015 1.00 0.00 C ATOM 111 CE2 TYR A 10 5.943 -6.990 5.855 1.00 0.00 C ATOM 112 CZ TYR A 10 5.745 -7.978 4.866 1.00 0.00 C ATOM 113 OH TYR A 10 4.540 -8.600 4.754 1.00 0.00 O ATOM 0 H TYR A 10 10.912 -6.905 8.026 1.00 0.00 H new ATOM 0 HA TYR A 10 10.329 -8.330 5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 10 9.648 -5.502 6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.129 -5.934 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.881 -8.003 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.375 -5.699 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.658 -9.076 3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.115 -6.665 6.467 1.00 0.00 H new ATOM 0 HH TYR A 10 3.918 -8.230 5.415 1.00 0.00 H new ATOM 123 N ASP A 11 12.502 -5.914 5.875 1.00 0.00 N ATOM 124 CA ASP A 11 13.807 -5.392 5.449 1.00 0.00 C ATOM 125 C ASP A 11 13.913 -5.397 3.918 1.00 0.00 C ATOM 126 O ASP A 11 13.206 -6.151 3.239 1.00 0.00 O ATOM 127 CB ASP A 11 14.982 -6.140 6.110 1.00 0.00 C ATOM 128 CG ASP A 11 16.284 -5.336 6.147 1.00 0.00 C ATOM 129 OD1 ASP A 11 16.317 -4.185 5.662 1.00 0.00 O ATOM 130 OD2 ASP A 11 17.264 -5.828 6.750 1.00 0.00 O ATOM 0 H ASP A 11 11.891 -5.164 6.199 1.00 0.00 H new ATOM 0 HA ASP A 11 13.877 -4.359 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.703 -6.408 7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.156 -7.072 5.572 1.00 0.00 H new ATOM 135 N LEU A 12 14.814 -4.575 3.368 1.00 0.00 N ATOM 136 CA LEU A 12 15.108 -4.381 1.957 1.00 0.00 C ATOM 137 C LEU A 12 13.843 -4.136 1.115 1.00 0.00 C ATOM 138 O LEU A 12 13.733 -4.601 -0.020 1.00 0.00 O ATOM 139 CB LEU A 12 15.996 -5.526 1.444 1.00 0.00 C ATOM 140 CG LEU A 12 17.095 -6.054 2.392 1.00 0.00 C ATOM 141 CD1 LEU A 12 17.844 -7.224 1.745 1.00 0.00 C ATOM 142 CD2 LEU A 12 18.111 -4.968 2.758 1.00 0.00 C ATOM 0 H LEU A 12 15.402 -3.982 3.954 1.00 0.00 H new ATOM 0 HA LEU A 12 15.680 -3.460 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.348 -6.362 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.476 -5.193 0.524 1.00 0.00 H new ATOM 0 HG LEU A 12 16.592 -6.382 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.615 -7.584 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.143 -8.031 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.308 -6.890 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.865 -5.385 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.593 -4.600 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.600 -4.145 3.257 1.00 0.00 H new ATOM 154 N SER A 13 12.870 -3.440 1.702 1.00 0.00 N ATOM 155 CA SER A 13 11.521 -3.279 1.194 1.00 0.00 C ATOM 156 C SER A 13 11.493 -2.134 0.172 1.00 0.00 C ATOM 157 O SER A 13 11.225 -0.987 0.529 1.00 0.00 O ATOM 158 CB SER A 13 10.603 -3.064 2.413 1.00 0.00 C ATOM 159 OG SER A 13 9.228 -3.148 2.088 1.00 0.00 O ATOM 0 H SER A 13 13.015 -2.953 2.586 1.00 0.00 H new ATOM 0 HA SER A 13 11.163 -4.156 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.838 -3.808 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.809 -2.086 2.849 1.00 0.00 H new ATOM 0 HG SER A 13 8.692 -3.006 2.896 1.00 0.00 H new ATOM 165 N ASP A 14 11.740 -2.431 -1.108 1.00 0.00 N ATOM 166 CA ASP A 14 11.777 -1.476 -2.235 1.00 0.00 C ATOM 167 C ASP A 14 10.399 -0.871 -2.583 1.00 0.00 C ATOM 168 O ASP A 14 10.240 -0.250 -3.639 1.00 0.00 O ATOM 169 CB ASP A 14 12.397 -2.158 -3.481 1.00 0.00 C ATOM 170 CG ASP A 14 13.922 -2.053 -3.568 1.00 0.00 C ATOM 171 OD1 ASP A 14 14.505 -1.039 -3.118 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.547 -2.969 -4.138 1.00 0.00 O ATOM 0 H ASP A 14 11.929 -3.388 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 14 12.399 -0.640 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.117 -3.211 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.963 -1.714 -4.377 1.00 0.00 H new ATOM 177 N LEU A 15 9.380 -1.043 -1.739 1.00 0.00 N ATOM 178 CA LEU A 15 8.017 -0.587 -1.982 1.00 0.00 C ATOM 179 C LEU A 15 7.836 0.826 -1.389 1.00 0.00 C ATOM 180 O LEU A 15 8.548 1.163 -0.437 1.00 0.00 O ATOM 181 CB LEU A 15 7.028 -1.639 -1.436 1.00 0.00 C ATOM 182 CG LEU A 15 7.215 -3.036 -2.071 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.418 -4.118 -1.344 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.816 -3.042 -3.550 1.00 0.00 C ATOM 0 H LEU A 15 9.487 -1.518 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 15 7.808 -0.494 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.151 -1.718 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.008 -1.298 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 15 8.277 -3.261 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.584 -5.080 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.744 -4.174 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.357 -3.873 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.961 -4.041 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.768 -2.759 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.435 -2.331 -4.097 1.00 0.00 H new ATOM 196 N PRO A 16 6.927 1.665 -1.925 1.00 0.00 N ATOM 197 CA PRO A 16 6.717 3.049 -1.486 1.00 0.00 C ATOM 198 C PRO A 16 6.236 3.154 -0.037 1.00 0.00 C ATOM 199 O PRO A 16 5.717 2.179 0.509 1.00 0.00 O ATOM 200 CB PRO A 16 5.638 3.635 -2.407 1.00 0.00 C ATOM 201 CG PRO A 16 5.399 2.608 -3.503 1.00 0.00 C ATOM 202 CD PRO A 16 6.044 1.318 -3.018 1.00 0.00 C ATOM 0 HA PRO A 16 7.665 3.584 -1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.720 3.831 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.964 4.585 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.333 2.468 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.839 2.934 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.285 0.609 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.600 0.839 -3.824 1.00 0.00 H new ATOM 210 N GLY A 17 6.275 4.353 0.557 1.00 0.00 N ATOM 211 CA GLY A 17 5.569 4.619 1.806 1.00 0.00 C ATOM 212 C GLY A 17 4.052 4.462 1.614 1.00 0.00 C ATOM 213 O GLY A 17 3.555 4.766 0.523 1.00 0.00 O ATOM 0 H GLY A 17 6.790 5.152 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.916 3.934 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.795 5.628 2.150 1.00 0.00 H new ATOM 217 N PRO A 18 3.298 4.009 2.629 1.00 0.00 N ATOM 218 CA PRO A 18 1.852 3.823 2.523 1.00 0.00 C ATOM 219 C PRO A 18 1.092 5.157 2.594 1.00 0.00 C ATOM 220 O PRO A 18 1.590 6.106 3.207 1.00 0.00 O ATOM 221 CB PRO A 18 1.472 2.952 3.722 1.00 0.00 C ATOM 222 CG PRO A 18 2.552 3.262 4.761 1.00 0.00 C ATOM 223 CD PRO A 18 3.791 3.554 3.918 1.00 0.00 C ATOM 0 HA PRO A 18 1.591 3.371 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.477 3.197 4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.462 1.894 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.279 4.116 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.714 2.420 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.413 4.315 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.407 2.662 3.808 1.00 0.00 H new ATOM 231 N PRO A 19 -0.146 5.222 2.071 1.00 0.00 N ATOM 232 CA PRO A 19 -1.038 6.342 2.321 1.00 0.00 C ATOM 233 C PRO A 19 -1.517 6.345 3.780 1.00 0.00 C ATOM 234 O PRO A 19 -1.487 5.319 4.471 1.00 0.00 O ATOM 235 CB PRO A 19 -2.198 6.195 1.330 1.00 0.00 C ATOM 236 CG PRO A 19 -2.084 4.787 0.735 1.00 0.00 C ATOM 237 CD PRO A 19 -0.779 4.195 1.260 1.00 0.00 C ATOM 0 HA PRO A 19 -0.535 7.298 2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.156 6.328 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.139 6.953 0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.934 4.172 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.081 4.826 -0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.971 3.300 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.130 3.899 0.436 1.00 0.00 H new ATOM 245 N SER A 20 -2.012 7.497 4.236 1.00 0.00 N ATOM 246 CA SER A 20 -2.606 7.654 5.560 1.00 0.00 C ATOM 247 C SER A 20 -4.002 7.017 5.614 1.00 0.00 C ATOM 248 O SER A 20 -4.590 6.703 4.577 1.00 0.00 O ATOM 249 CB SER A 20 -2.662 9.151 5.904 1.00 0.00 C ATOM 250 OG SER A 20 -1.350 9.624 6.154 1.00 0.00 O ATOM 0 H SER A 20 -2.010 8.357 3.687 1.00 0.00 H new ATOM 0 HA SER A 20 -1.992 7.139 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.111 9.708 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.292 9.311 6.779 1.00 0.00 H new ATOM 0 HG SER A 20 -1.383 10.579 6.372 1.00 0.00 H new ATOM 256 N LYS A 21 -4.557 6.840 6.820 1.00 0.00 N ATOM 257 CA LYS A 21 -5.959 6.468 7.026 1.00 0.00 C ATOM 258 C LYS A 21 -6.868 7.394 6.190 1.00 0.00 C ATOM 259 O LYS A 21 -6.719 8.601 6.345 1.00 0.00 O ATOM 260 CB LYS A 21 -6.267 6.611 8.529 1.00 0.00 C ATOM 261 CG LYS A 21 -7.597 5.962 8.938 1.00 0.00 C ATOM 262 CD LYS A 21 -8.727 6.982 9.037 1.00 0.00 C ATOM 263 CE LYS A 21 -10.041 6.333 9.446 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.180 7.260 9.266 1.00 0.00 N ATOM 0 H LYS A 21 -4.037 6.953 7.690 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.141 5.441 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.458 6.160 9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.291 7.669 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.864 5.195 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.475 5.462 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.460 7.751 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.852 7.481 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.205 5.434 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.985 6.021 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.498 7.603 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.882 8.067 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.962 6.762 8.794 1.00 0.00 H new ATOM 278 N PRO A 22 -7.792 6.907 5.338 1.00 0.00 N ATOM 279 CA PRO A 22 -8.682 7.768 4.559 1.00 0.00 C ATOM 280 C PRO A 22 -9.884 8.287 5.331 1.00 0.00 C ATOM 281 O PRO A 22 -10.382 7.680 6.286 1.00 0.00 O ATOM 282 CB PRO A 22 -9.198 6.930 3.377 1.00 0.00 C ATOM 283 CG PRO A 22 -8.967 5.478 3.813 1.00 0.00 C ATOM 284 CD PRO A 22 -7.950 5.514 4.959 1.00 0.00 C ATOM 0 HA PRO A 22 -8.109 8.645 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.253 7.124 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.657 7.161 2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.901 5.020 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.592 4.880 2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.299 4.921 5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.997 5.089 4.643 1.00 0.00 H new ATOM 292 N GLN A 23 -10.417 9.368 4.788 1.00 0.00 N ATOM 293 CA GLN A 23 -11.638 10.048 5.142 1.00 0.00 C ATOM 294 C GLN A 23 -12.646 9.772 4.067 1.00 0.00 C ATOM 295 O GLN A 23 -12.379 9.961 2.882 1.00 0.00 O ATOM 296 CB GLN A 23 -11.400 11.557 5.216 1.00 0.00 C ATOM 297 CG GLN A 23 -10.408 11.818 6.344 1.00 0.00 C ATOM 298 CD GLN A 23 -8.938 11.664 5.951 1.00 0.00 C ATOM 299 OE1 GLN A 23 -8.485 12.103 4.897 1.00 0.00 O ATOM 300 NE2 GLN A 23 -8.157 10.988 6.779 1.00 0.00 N ATOM 0 H GLN A 23 -9.952 9.834 4.009 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.989 9.697 6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.008 11.929 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.337 12.083 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.565 12.829 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.624 11.134 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.535 10.624 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.177 10.831 6.542 1.00 0.00 H new ATOM 309 N VAL A 24 -13.817 9.342 4.479 1.00 0.00 N ATOM 310 CA VAL A 24 -14.978 9.432 3.684 1.00 0.00 C ATOM 311 C VAL A 24 -15.378 10.907 3.626 1.00 0.00 C ATOM 312 O VAL A 24 -15.122 11.668 4.566 1.00 0.00 O ATOM 313 CB VAL A 24 -16.017 8.555 4.370 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.609 7.077 4.499 1.00 0.00 C ATOM 315 CG2 VAL A 24 -16.578 9.101 5.683 1.00 0.00 C ATOM 0 H VAL A 24 -13.971 8.916 5.393 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.851 9.090 2.657 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.848 8.594 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -16.404 6.522 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.442 6.658 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.692 7.002 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.308 8.399 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.767 9.232 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.060 10.062 5.501 1.00 0.00 H new ATOM 325 N THR A 25 -16.063 11.287 2.565 1.00 0.00 N ATOM 326 CA THR A 25 -16.637 12.609 2.415 1.00 0.00 C ATOM 327 C THR A 25 -18.079 12.410 1.961 1.00 0.00 C ATOM 328 O THR A 25 -18.965 12.244 2.801 1.00 0.00 O ATOM 329 CB THR A 25 -15.748 13.476 1.502 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.332 12.759 0.359 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.497 13.976 2.233 1.00 0.00 C ATOM 0 H THR A 25 -16.239 10.674 1.769 1.00 0.00 H new ATOM 0 HA THR A 25 -16.669 13.177 3.345 1.00 0.00 H new ATOM 0 HB THR A 25 -16.359 14.328 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.353 12.715 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.897 14.583 1.555 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.794 14.578 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.909 13.123 2.573 1.00 0.00 H new ATOM 339 N ASP A 26 -18.326 12.358 0.660 1.00 0.00 N ATOM 340 CA ASP A 26 -19.666 12.327 0.104 1.00 0.00 C ATOM 341 C ASP A 26 -20.203 10.905 0.100 1.00 0.00 C ATOM 342 O ASP A 26 -19.601 10.056 -0.556 1.00 0.00 O ATOM 343 CB ASP A 26 -19.619 12.865 -1.316 1.00 0.00 C ATOM 344 CG ASP A 26 -21.019 12.927 -1.920 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.796 13.848 -1.599 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.345 12.061 -2.763 1.00 0.00 O ATOM 0 H ASP A 26 -17.590 12.336 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.327 12.943 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.173 13.860 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.981 12.229 -1.930 1.00 0.00 H new ATOM 351 N VAL A 27 -21.317 10.617 0.773 1.00 0.00 N ATOM 352 CA VAL A 27 -21.927 9.293 0.787 1.00 0.00 C ATOM 353 C VAL A 27 -23.346 9.346 0.238 1.00 0.00 C ATOM 354 O VAL A 27 -24.056 10.341 0.387 1.00 0.00 O ATOM 355 CB VAL A 27 -21.818 8.634 2.177 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.719 9.276 3.239 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.160 7.141 2.105 1.00 0.00 C ATOM 0 H VAL A 27 -21.824 11.306 1.329 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.367 8.641 0.116 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.781 8.784 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.587 8.759 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.451 10.326 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.760 9.201 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.075 6.700 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.179 7.018 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.468 6.642 1.426 1.00 0.00 H new ATOM 367 N THR A 28 -23.746 8.253 -0.404 1.00 0.00 N ATOM 368 CA THR A 28 -25.037 8.072 -1.047 1.00 0.00 C ATOM 369 C THR A 28 -25.489 6.627 -0.790 1.00 0.00 C ATOM 370 O THR A 28 -24.922 5.921 0.052 1.00 0.00 O ATOM 371 CB THR A 28 -24.903 8.417 -2.545 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.951 7.561 -3.141 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.484 9.868 -2.809 1.00 0.00 C ATOM 0 H THR A 28 -23.148 7.432 -0.493 1.00 0.00 H new ATOM 0 HA THR A 28 -25.800 8.737 -0.642 1.00 0.00 H new ATOM 0 HB THR A 28 -25.894 8.283 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.297 7.280 -2.467 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.411 10.036 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.227 10.544 -2.386 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.516 10.057 -2.345 1.00 0.00 H new ATOM 381 N LYS A 29 -26.516 6.160 -1.500 1.00 0.00 N ATOM 382 CA LYS A 29 -27.046 4.810 -1.337 1.00 0.00 C ATOM 383 C LYS A 29 -26.062 3.709 -1.736 1.00 0.00 C ATOM 384 O LYS A 29 -26.099 2.627 -1.169 1.00 0.00 O ATOM 385 CB LYS A 29 -28.369 4.709 -2.108 1.00 0.00 C ATOM 386 CG LYS A 29 -28.190 4.476 -3.606 1.00 0.00 C ATOM 387 CD LYS A 29 -29.412 4.940 -4.388 1.00 0.00 C ATOM 388 CE LYS A 29 -29.126 4.818 -5.883 1.00 0.00 C ATOM 389 NZ LYS A 29 -29.720 5.930 -6.648 1.00 0.00 N ATOM 0 H LYS A 29 -27.004 6.711 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.221 4.641 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.961 3.894 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.938 5.626 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.307 5.010 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.017 3.416 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.280 4.337 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.651 5.973 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.048 4.800 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.521 3.871 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -29.504 5.811 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.751 5.933 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.325 6.832 -6.313 1.00 0.00 H new ATOM 403 N ASN A 30 -25.209 3.923 -2.736 1.00 0.00 N ATOM 404 CA ASN A 30 -24.292 2.885 -3.217 1.00 0.00 C ATOM 405 C ASN A 30 -22.993 3.454 -3.759 1.00 0.00 C ATOM 406 O ASN A 30 -22.248 2.741 -4.437 1.00 0.00 O ATOM 407 CB ASN A 30 -24.946 1.918 -4.222 1.00 0.00 C ATOM 408 CG ASN A 30 -25.868 2.533 -5.260 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.631 3.609 -5.801 1.00 0.00 O ATOM 410 ND2 ASN A 30 -26.972 1.856 -5.507 1.00 0.00 N ATOM 0 H ASN A 30 -25.132 4.810 -3.233 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.040 2.296 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.153 1.384 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.513 1.176 -3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.659 2.224 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.139 0.964 -5.040 1.00 0.00 H new ATOM 417 N SER A 31 -22.681 4.704 -3.428 1.00 0.00 N ATOM 418 CA SER A 31 -21.401 5.305 -3.746 1.00 0.00 C ATOM 419 C SER A 31 -20.895 6.090 -2.527 1.00 0.00 C ATOM 420 O SER A 31 -21.705 6.593 -1.742 1.00 0.00 O ATOM 421 CB SER A 31 -21.560 6.187 -4.992 1.00 0.00 C ATOM 422 OG SER A 31 -22.309 5.553 -6.021 1.00 0.00 O ATOM 0 H SER A 31 -23.316 5.327 -2.929 1.00 0.00 H new ATOM 0 HA SER A 31 -20.655 4.544 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.051 7.119 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.574 6.449 -5.375 1.00 0.00 H new ATOM 0 HG SER A 31 -22.383 6.155 -6.790 1.00 0.00 H new ATOM 428 N VAL A 32 -19.575 6.198 -2.363 1.00 0.00 N ATOM 429 CA VAL A 32 -18.927 7.012 -1.341 1.00 0.00 C ATOM 430 C VAL A 32 -17.604 7.558 -1.888 1.00 0.00 C ATOM 431 O VAL A 32 -16.822 6.810 -2.476 1.00 0.00 O ATOM 432 CB VAL A 32 -18.781 6.242 -0.007 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.166 4.852 -0.128 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.958 7.009 1.030 1.00 0.00 C ATOM 0 H VAL A 32 -18.910 5.705 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.556 7.869 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.817 6.135 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.106 4.394 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.787 4.235 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.165 4.933 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.888 6.422 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.957 7.191 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.441 7.962 1.246 1.00 0.00 H new ATOM 444 N THR A 33 -17.356 8.854 -1.708 1.00 0.00 N ATOM 445 CA THR A 33 -16.071 9.480 -1.968 1.00 0.00 C ATOM 446 C THR A 33 -15.121 9.202 -0.794 1.00 0.00 C ATOM 447 O THR A 33 -15.531 9.230 0.368 1.00 0.00 O ATOM 448 CB THR A 33 -16.287 10.977 -2.247 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.218 11.143 -3.313 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.965 11.646 -2.659 1.00 0.00 C ATOM 0 H THR A 33 -18.062 9.508 -1.370 1.00 0.00 H new ATOM 0 HA THR A 33 -15.598 9.059 -2.855 1.00 0.00 H new ATOM 0 HB THR A 33 -16.666 11.438 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.841 10.772 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.138 12.705 -2.852 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.237 11.538 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.582 11.170 -3.562 1.00 0.00 H new ATOM 458 N LEU A 34 -13.856 8.923 -1.117 1.00 0.00 N ATOM 459 CA LEU A 34 -12.720 8.786 -0.214 1.00 0.00 C ATOM 460 C LEU A 34 -11.725 9.874 -0.575 1.00 0.00 C ATOM 461 O LEU A 34 -11.525 10.186 -1.753 1.00 0.00 O ATOM 462 CB LEU A 34 -12.029 7.429 -0.372 1.00 0.00 C ATOM 463 CG LEU A 34 -12.828 6.216 0.112 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.020 4.953 -0.188 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.094 6.309 1.611 1.00 0.00 C ATOM 0 H LEU A 34 -13.583 8.777 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.071 8.867 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.788 7.285 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.084 7.458 0.170 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.788 6.186 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.574 4.078 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.845 4.879 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.064 5.001 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.663 5.437 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.146 6.343 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.664 7.214 1.824 1.00 0.00 H new ATOM 477 N SER A 35 -11.085 10.382 0.465 1.00 0.00 N ATOM 478 CA SER A 35 -10.055 11.398 0.471 1.00 0.00 C ATOM 479 C SER A 35 -8.944 10.886 1.393 1.00 0.00 C ATOM 480 O SER A 35 -9.242 10.335 2.452 1.00 0.00 O ATOM 481 CB SER A 35 -10.670 12.730 0.952 1.00 0.00 C ATOM 482 OG SER A 35 -12.035 12.864 0.601 1.00 0.00 O ATOM 0 H SER A 35 -11.295 10.062 1.410 1.00 0.00 H new ATOM 0 HA SER A 35 -9.636 11.587 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.570 12.801 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.107 13.560 0.525 1.00 0.00 H new ATOM 0 HG SER A 35 -12.575 12.257 1.149 1.00 0.00 H new ATOM 488 N TRP A 36 -7.682 10.932 0.973 1.00 0.00 N ATOM 489 CA TRP A 36 -6.523 10.588 1.802 1.00 0.00 C ATOM 490 C TRP A 36 -5.396 11.585 1.534 1.00 0.00 C ATOM 491 O TRP A 36 -5.486 12.376 0.586 1.00 0.00 O ATOM 492 CB TRP A 36 -6.091 9.120 1.604 1.00 0.00 C ATOM 493 CG TRP A 36 -5.821 8.675 0.197 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.602 8.494 -0.358 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.781 8.325 -0.844 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.743 8.158 -1.690 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.067 8.018 -2.039 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.184 8.238 -0.900 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.713 7.669 -3.232 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.845 7.886 -2.087 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.116 7.607 -3.254 1.00 0.00 C ATOM 0 H TRP A 36 -7.428 11.215 0.027 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.797 10.666 2.854 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.189 8.950 2.192 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.869 8.479 2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.661 8.597 0.161 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.963 8.030 -2.335 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.763 8.446 -0.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.141 7.451 -4.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.923 7.829 -2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.632 7.346 -4.166 1.00 0.00 H new ATOM 512 N GLN A 37 -4.315 11.528 2.318 1.00 0.00 N ATOM 513 CA GLN A 37 -3.044 12.175 1.990 1.00 0.00 C ATOM 514 C GLN A 37 -2.029 11.068 1.639 1.00 0.00 C ATOM 515 O GLN A 37 -2.079 9.992 2.255 1.00 0.00 O ATOM 516 CB GLN A 37 -2.583 13.090 3.136 1.00 0.00 C ATOM 517 CG GLN A 37 -3.703 14.063 3.542 1.00 0.00 C ATOM 518 CD GLN A 37 -3.226 15.160 4.485 1.00 0.00 C ATOM 519 OE1 GLN A 37 -3.017 14.910 5.670 1.00 0.00 O ATOM 520 NE2 GLN A 37 -3.061 16.381 4.005 1.00 0.00 N ATOM 0 H GLN A 37 -4.299 11.026 3.206 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.148 12.832 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.291 12.486 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.701 13.652 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.123 14.519 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.507 13.504 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.239 16.570 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.755 17.134 4.621 1.00 0.00 H new ATOM 529 N PRO A 38 -1.147 11.273 0.646 1.00 0.00 N ATOM 530 CA PRO A 38 -0.312 10.216 0.084 1.00 0.00 C ATOM 531 C PRO A 38 0.938 9.986 0.941 1.00 0.00 C ATOM 532 O PRO A 38 1.289 10.820 1.783 1.00 0.00 O ATOM 533 CB PRO A 38 0.023 10.696 -1.331 1.00 0.00 C ATOM 534 CG PRO A 38 -0.012 12.220 -1.237 1.00 0.00 C ATOM 535 CD PRO A 38 -0.956 12.522 -0.078 1.00 0.00 C ATOM 0 HA PRO A 38 -0.815 9.249 0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.003 10.340 -1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.701 10.327 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.982 12.627 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.371 12.665 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.534 13.286 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.908 12.906 -0.445 1.00 0.00 H new ATOM 543 N GLY A 39 1.602 8.846 0.768 1.00 0.00 N ATOM 544 CA GLY A 39 2.814 8.496 1.467 1.00 0.00 C ATOM 545 C GLY A 39 4.036 8.988 0.714 1.00 0.00 C ATOM 546 O GLY A 39 3.982 9.372 -0.453 1.00 0.00 O ATOM 0 H GLY A 39 1.294 8.125 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.800 8.929 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.868 7.414 1.589 1.00 0.00 H new ATOM 550 N THR A 40 5.157 8.904 1.404 1.00 0.00 N ATOM 551 CA THR A 40 6.469 9.309 0.976 1.00 0.00 C ATOM 552 C THR A 40 6.960 8.446 -0.205 1.00 0.00 C ATOM 553 O THR A 40 6.641 7.252 -0.288 1.00 0.00 O ATOM 554 CB THR A 40 7.360 9.192 2.224 1.00 0.00 C ATOM 555 OG1 THR A 40 7.025 10.217 3.140 1.00 0.00 O ATOM 556 CG2 THR A 40 8.842 9.249 1.910 1.00 0.00 C ATOM 0 H THR A 40 5.168 8.521 2.349 1.00 0.00 H new ATOM 0 HA THR A 40 6.485 10.330 0.594 1.00 0.00 H new ATOM 0 HB THR A 40 7.171 8.210 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.591 10.142 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.413 9.161 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.104 8.429 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.076 10.198 1.428 1.00 0.00 H new ATOM 564 N PRO A 41 7.748 9.041 -1.115 1.00 0.00 N ATOM 565 CA PRO A 41 8.534 8.347 -2.129 1.00 0.00 C ATOM 566 C PRO A 41 9.876 7.816 -1.618 1.00 0.00 C ATOM 567 O PRO A 41 10.344 8.161 -0.536 1.00 0.00 O ATOM 568 CB PRO A 41 8.837 9.404 -3.178 1.00 0.00 C ATOM 569 CG PRO A 41 8.849 10.695 -2.401 1.00 0.00 C ATOM 570 CD PRO A 41 7.806 10.480 -1.322 1.00 0.00 C ATOM 0 HA PRO A 41 7.971 7.483 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.796 9.221 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.080 9.417 -3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.831 10.895 -1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.599 11.545 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.081 10.997 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.836 10.871 -1.631 1.00 0.00 H new ATOM 578 N GLY A 42 10.562 7.086 -2.488 1.00 0.00 N ATOM 579 CA GLY A 42 11.800 6.395 -2.190 1.00 0.00 C ATOM 580 C GLY A 42 12.370 5.763 -3.453 1.00 0.00 C ATOM 581 O GLY A 42 12.711 6.467 -4.411 1.00 0.00 O ATOM 0 H GLY A 42 10.257 6.957 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.522 7.094 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.623 5.626 -1.438 1.00 0.00 H new ATOM 585 N THR A 43 12.501 4.441 -3.456 1.00 0.00 N ATOM 586 CA THR A 43 13.324 3.663 -4.367 1.00 0.00 C ATOM 587 C THR A 43 12.791 3.670 -5.795 1.00 0.00 C ATOM 588 O THR A 43 13.578 3.709 -6.739 1.00 0.00 O ATOM 589 CB THR A 43 13.357 2.240 -3.795 1.00 0.00 C ATOM 590 OG1 THR A 43 12.062 1.855 -3.364 1.00 0.00 O ATOM 591 CG2 THR A 43 14.293 2.218 -2.589 1.00 0.00 C ATOM 0 H THR A 43 12.007 3.853 -2.784 1.00 0.00 H new ATOM 0 HA THR A 43 14.322 4.096 -4.437 1.00 0.00 H new ATOM 0 HB THR A 43 13.702 1.552 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.823 0.996 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.326 1.211 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.295 2.515 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.928 2.912 -1.832 1.00 0.00 H new ATOM 599 N LEU A 44 11.471 3.634 -5.972 1.00 0.00 N ATOM 600 CA LEU A 44 10.843 3.653 -7.292 1.00 0.00 C ATOM 601 C LEU A 44 9.619 4.559 -7.307 1.00 0.00 C ATOM 602 O LEU A 44 9.017 4.810 -6.256 1.00 0.00 O ATOM 603 CB LEU A 44 10.406 2.236 -7.673 1.00 0.00 C ATOM 604 CG LEU A 44 11.563 1.313 -8.053 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.041 -0.116 -8.083 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.164 1.678 -9.410 1.00 0.00 C ATOM 0 H LEU A 44 10.805 3.591 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 44 11.574 4.034 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.863 1.796 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.710 2.294 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 44 12.356 1.421 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.851 -0.794 -8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.656 -0.384 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.241 -0.196 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.983 0.997 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.398 1.598 -10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.541 2.700 -9.378 1.00 0.00 H new ATOM 618 N PRO A 45 9.211 5.028 -8.494 1.00 0.00 N ATOM 619 CA PRO A 45 8.021 5.841 -8.663 1.00 0.00 C ATOM 620 C PRO A 45 6.772 4.985 -8.456 1.00 0.00 C ATOM 621 O PRO A 45 6.851 3.756 -8.421 1.00 0.00 O ATOM 622 CB PRO A 45 8.130 6.403 -10.080 1.00 0.00 C ATOM 623 CG PRO A 45 8.917 5.342 -10.846 1.00 0.00 C ATOM 624 CD PRO A 45 9.811 4.720 -9.783 1.00 0.00 C ATOM 0 HA PRO A 45 7.941 6.650 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.146 6.564 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.645 7.364 -10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.257 4.602 -11.297 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.502 5.782 -11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.888 3.642 -9.926 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.822 5.123 -9.845 1.00 0.00 H new ATOM 632 N ALA A 46 5.619 5.633 -8.282 1.00 0.00 N ATOM 633 CA ALA A 46 4.372 4.950 -7.994 1.00 0.00 C ATOM 634 C ALA A 46 3.455 5.057 -9.205 1.00 0.00 C ATOM 635 O ALA A 46 3.085 6.155 -9.624 1.00 0.00 O ATOM 636 CB ALA A 46 3.717 5.525 -6.747 1.00 0.00 C ATOM 0 H ALA A 46 5.531 6.648 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 46 4.570 3.897 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.784 4.998 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.387 5.406 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.510 6.584 -6.900 1.00 0.00 H new ATOM 642 N SER A 47 3.061 3.910 -9.742 1.00 0.00 N ATOM 643 CA SER A 47 2.507 3.804 -11.081 1.00 0.00 C ATOM 644 C SER A 47 1.007 4.117 -11.108 1.00 0.00 C ATOM 645 O SER A 47 0.514 4.679 -12.084 1.00 0.00 O ATOM 646 CB SER A 47 2.845 2.396 -11.581 1.00 0.00 C ATOM 647 OG SER A 47 3.209 2.397 -12.948 1.00 0.00 O ATOM 0 H SER A 47 3.119 3.017 -9.252 1.00 0.00 H new ATOM 0 HA SER A 47 2.943 4.547 -11.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.662 1.986 -10.988 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.985 1.742 -11.434 1.00 0.00 H new ATOM 0 HG SER A 47 3.419 1.483 -13.231 1.00 0.00 H new ATOM 653 N ALA A 48 0.269 3.787 -10.044 1.00 0.00 N ATOM 654 CA ALA A 48 -1.095 4.231 -9.779 1.00 0.00 C ATOM 655 C ALA A 48 -1.390 3.887 -8.312 1.00 0.00 C ATOM 656 O ALA A 48 -0.470 3.561 -7.561 1.00 0.00 O ATOM 657 CB ALA A 48 -2.088 3.561 -10.746 1.00 0.00 C ATOM 0 H ALA A 48 0.627 3.174 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.204 5.303 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.098 3.908 -10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.828 3.821 -11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.042 2.479 -10.623 1.00 0.00 H new ATOM 663 N TYR A 49 -2.647 3.961 -7.879 1.00 0.00 N ATOM 664 CA TYR A 49 -3.142 3.478 -6.590 1.00 0.00 C ATOM 665 C TYR A 49 -4.186 2.383 -6.846 1.00 0.00 C ATOM 666 O TYR A 49 -4.701 2.238 -7.960 1.00 0.00 O ATOM 667 CB TYR A 49 -3.744 4.637 -5.757 1.00 0.00 C ATOM 668 CG TYR A 49 -2.762 5.503 -4.976 1.00 0.00 C ATOM 669 CD1 TYR A 49 -1.568 6.000 -5.539 1.00 0.00 C ATOM 670 CD2 TYR A 49 -3.074 5.839 -3.648 1.00 0.00 C ATOM 671 CE1 TYR A 49 -0.677 6.768 -4.769 1.00 0.00 C ATOM 672 CE2 TYR A 49 -2.190 6.596 -2.865 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.982 7.057 -3.423 1.00 0.00 C ATOM 674 OH TYR A 49 -0.128 7.768 -2.646 1.00 0.00 O ATOM 0 H TYR A 49 -3.385 4.380 -8.445 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.315 3.065 -6.012 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.306 5.284 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.459 4.213 -5.052 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.336 5.788 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.010 5.509 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.239 7.136 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.435 6.824 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.509 7.868 -1.749 1.00 0.00 H new ATOM 684 N ILE A 50 -4.524 1.646 -5.795 1.00 0.00 N ATOM 685 CA ILE A 50 -5.633 0.712 -5.675 1.00 0.00 C ATOM 686 C ILE A 50 -6.432 1.149 -4.443 1.00 0.00 C ATOM 687 O ILE A 50 -5.869 1.741 -3.517 1.00 0.00 O ATOM 688 CB ILE A 50 -5.069 -0.733 -5.570 1.00 0.00 C ATOM 689 CG1 ILE A 50 -4.934 -1.330 -6.983 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.924 -1.663 -4.701 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.236 -2.695 -7.008 1.00 0.00 C ATOM 0 H ILE A 50 -3.982 1.692 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.295 0.714 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.097 -0.657 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.926 -1.431 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.377 -0.635 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.470 -2.654 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.984 -1.262 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.927 -1.735 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.176 -3.054 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.230 -2.597 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.804 -3.405 -6.408 1.00 0.00 H new ATOM 703 N ILE A 51 -7.722 0.812 -4.421 1.00 0.00 N ATOM 704 CA ILE A 51 -8.606 0.909 -3.271 1.00 0.00 C ATOM 705 C ILE A 51 -9.252 -0.466 -3.134 1.00 0.00 C ATOM 706 O ILE A 51 -9.695 -1.054 -4.128 1.00 0.00 O ATOM 707 CB ILE A 51 -9.646 2.033 -3.464 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.928 3.374 -3.731 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.607 2.154 -2.265 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.875 4.531 -4.019 1.00 0.00 C ATOM 0 H ILE A 51 -8.196 0.447 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.067 1.173 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.257 1.774 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.314 3.626 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.251 3.251 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.319 2.958 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.146 1.215 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.037 2.374 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.298 5.438 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.471 4.302 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.535 4.682 -3.165 1.00 0.00 H new ATOM 722 N GLU A 52 -9.320 -0.964 -1.905 1.00 0.00 N ATOM 723 CA GLU A 52 -9.977 -2.215 -1.551 1.00 0.00 C ATOM 724 C GLU A 52 -11.109 -1.880 -0.593 1.00 0.00 C ATOM 725 O GLU A 52 -11.050 -0.846 0.064 1.00 0.00 O ATOM 726 CB GLU A 52 -8.964 -3.226 -0.975 1.00 0.00 C ATOM 727 CG GLU A 52 -8.019 -3.627 -2.110 1.00 0.00 C ATOM 728 CD GLU A 52 -6.924 -4.639 -1.785 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.169 -5.651 -1.089 1.00 0.00 O ATOM 730 OE2 GLU A 52 -5.833 -4.510 -2.390 1.00 0.00 O ATOM 0 H GLU A 52 -8.905 -0.492 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.397 -2.705 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.406 -2.782 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.479 -4.101 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.621 -4.032 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.541 -2.723 -2.487 1.00 0.00 H new ATOM 737 N ALA A 53 -12.141 -2.718 -0.524 1.00 0.00 N ATOM 738 CA ALA A 53 -13.265 -2.585 0.398 1.00 0.00 C ATOM 739 C ALA A 53 -13.673 -3.965 0.884 1.00 0.00 C ATOM 740 O ALA A 53 -13.365 -4.971 0.238 1.00 0.00 O ATOM 741 CB ALA A 53 -14.464 -1.950 -0.308 1.00 0.00 C ATOM 0 H ALA A 53 -12.220 -3.535 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.960 -1.954 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.293 -1.858 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.188 -0.961 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.766 -2.577 -1.147 1.00 0.00 H new ATOM 747 N PHE A 54 -14.432 -3.983 1.971 1.00 0.00 N ATOM 748 CA PHE A 54 -15.023 -5.158 2.579 1.00 0.00 C ATOM 749 C PHE A 54 -16.431 -4.771 3.032 1.00 0.00 C ATOM 750 O PHE A 54 -16.626 -3.654 3.513 1.00 0.00 O ATOM 751 CB PHE A 54 -14.134 -5.591 3.760 1.00 0.00 C ATOM 752 CG PHE A 54 -14.792 -6.544 4.737 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.599 -6.032 5.773 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.646 -7.935 4.586 1.00 0.00 C ATOM 755 CE1 PHE A 54 -16.281 -6.906 6.635 1.00 0.00 C ATOM 756 CE2 PHE A 54 -15.348 -8.807 5.436 1.00 0.00 C ATOM 757 CZ PHE A 54 -16.170 -8.296 6.458 1.00 0.00 C ATOM 0 H PHE A 54 -14.662 -3.128 2.477 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.092 -5.998 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.234 -6.063 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.816 -4.700 4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.693 -4.964 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.997 -8.332 3.820 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.891 -6.510 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.256 -9.875 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.714 -8.970 7.104 1.00 0.00 H new ATOM 767 N SER A 55 -17.394 -5.691 2.966 1.00 0.00 N ATOM 768 CA SER A 55 -18.594 -5.657 3.794 1.00 0.00 C ATOM 769 C SER A 55 -18.809 -7.072 4.343 1.00 0.00 C ATOM 770 O SER A 55 -18.273 -8.045 3.804 1.00 0.00 O ATOM 771 CB SER A 55 -19.795 -5.224 2.942 1.00 0.00 C ATOM 772 OG SER A 55 -20.898 -4.730 3.658 1.00 0.00 O ATOM 0 H SER A 55 -17.360 -6.487 2.329 1.00 0.00 H new ATOM 0 HA SER A 55 -18.487 -4.946 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.464 -4.456 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.122 -6.077 2.347 1.00 0.00 H new ATOM 0 HG SER A 55 -20.585 -4.144 4.378 1.00 0.00 H new ATOM 778 N GLN A 56 -19.679 -7.203 5.341 1.00 0.00 N ATOM 779 CA GLN A 56 -20.067 -8.471 5.940 1.00 0.00 C ATOM 780 C GLN A 56 -21.415 -8.975 5.397 1.00 0.00 C ATOM 781 O GLN A 56 -22.053 -9.853 5.983 1.00 0.00 O ATOM 782 CB GLN A 56 -20.057 -8.288 7.463 1.00 0.00 C ATOM 783 CG GLN A 56 -19.942 -9.647 8.149 1.00 0.00 C ATOM 784 CD GLN A 56 -19.383 -9.506 9.561 1.00 0.00 C ATOM 785 OE1 GLN A 56 -20.083 -9.083 10.474 1.00 0.00 O ATOM 786 NE2 GLN A 56 -18.125 -9.852 9.776 1.00 0.00 N ATOM 0 H GLN A 56 -20.147 -6.403 5.766 1.00 0.00 H new ATOM 0 HA GLN A 56 -19.356 -9.252 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.222 -7.651 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.969 -7.785 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.923 -10.121 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.296 -10.300 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.554 -10.203 9.007 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.726 -9.768 10.711 1.00 0.00 H new ATOM 795 N SER A 57 -21.871 -8.385 4.296 1.00 0.00 N ATOM 796 CA SER A 57 -23.166 -8.625 3.657 1.00 0.00 C ATOM 797 C SER A 57 -23.026 -8.663 2.126 1.00 0.00 C ATOM 798 O SER A 57 -23.984 -8.395 1.405 1.00 0.00 O ATOM 799 CB SER A 57 -24.157 -7.540 4.115 1.00 0.00 C ATOM 800 OG SER A 57 -25.498 -7.982 4.023 1.00 0.00 O ATOM 0 H SER A 57 -21.319 -7.688 3.797 1.00 0.00 H new ATOM 0 HA SER A 57 -23.549 -9.600 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.937 -7.258 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.026 -6.647 3.505 1.00 0.00 H new ATOM 0 HG SER A 57 -26.099 -7.268 4.323 1.00 0.00 H new ATOM 806 N VAL A 58 -21.819 -8.923 1.618 1.00 0.00 N ATOM 807 CA VAL A 58 -21.486 -8.873 0.201 1.00 0.00 C ATOM 808 C VAL A 58 -20.958 -10.250 -0.211 1.00 0.00 C ATOM 809 O VAL A 58 -21.742 -11.104 -0.614 1.00 0.00 O ATOM 810 CB VAL A 58 -20.583 -7.653 -0.089 1.00 0.00 C ATOM 811 CG1 VAL A 58 -21.362 -6.336 0.045 1.00 0.00 C ATOM 812 CG2 VAL A 58 -19.305 -7.604 0.736 1.00 0.00 C ATOM 0 H VAL A 58 -21.025 -9.182 2.204 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.352 -8.695 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.264 -7.780 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.698 -5.498 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.190 -6.330 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.751 -6.245 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.733 -6.716 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.557 -7.567 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.709 -8.494 0.536 1.00 0.00 H new ATOM 822 N SER A 59 -19.666 -10.492 -0.024 1.00 0.00 N ATOM 823 CA SER A 59 -18.962 -11.739 -0.300 1.00 0.00 C ATOM 824 C SER A 59 -17.955 -12.044 0.819 1.00 0.00 C ATOM 825 O SER A 59 -17.141 -12.952 0.687 1.00 0.00 O ATOM 826 CB SER A 59 -18.273 -11.611 -1.663 1.00 0.00 C ATOM 827 OG SER A 59 -19.231 -11.275 -2.650 1.00 0.00 O ATOM 0 H SER A 59 -19.042 -9.776 0.348 1.00 0.00 H new ATOM 0 HA SER A 59 -19.663 -12.573 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.498 -10.846 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.782 -12.549 -1.923 1.00 0.00 H new ATOM 0 HG SER A 59 -18.789 -11.192 -3.520 1.00 0.00 H new ATOM 833 N ASN A 60 -18.001 -11.266 1.913 1.00 0.00 N ATOM 834 CA ASN A 60 -17.150 -11.356 3.102 1.00 0.00 C ATOM 835 C ASN A 60 -15.648 -11.310 2.790 1.00 0.00 C ATOM 836 O ASN A 60 -14.836 -11.757 3.603 1.00 0.00 O ATOM 837 CB ASN A 60 -17.547 -12.570 3.969 1.00 0.00 C ATOM 838 CG ASN A 60 -18.894 -12.420 4.664 1.00 0.00 C ATOM 839 OD1 ASN A 60 -19.695 -11.530 4.370 1.00 0.00 O ATOM 840 ND2 ASN A 60 -19.178 -13.285 5.622 1.00 0.00 N ATOM 0 H ASN A 60 -18.680 -10.509 1.991 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.332 -10.456 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.571 -13.460 3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.777 -12.733 4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.064 -13.219 6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.511 -14.019 5.860 1.00 0.00 H new ATOM 847 N SER A 61 -15.248 -10.749 1.647 1.00 0.00 N ATOM 848 CA SER A 61 -13.853 -10.657 1.229 1.00 0.00 C ATOM 849 C SER A 61 -13.407 -9.198 1.131 1.00 0.00 C ATOM 850 O SER A 61 -14.237 -8.298 0.978 1.00 0.00 O ATOM 851 CB SER A 61 -13.686 -11.349 -0.128 1.00 0.00 C ATOM 852 OG SER A 61 -14.070 -12.709 -0.055 1.00 0.00 O ATOM 0 H SER A 61 -15.898 -10.340 0.976 1.00 0.00 H new ATOM 0 HA SER A 61 -13.229 -11.151 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.289 -10.837 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.647 -11.278 -0.451 1.00 0.00 H new ATOM 0 HG SER A 61 -15.031 -12.768 0.129 1.00 0.00 H new ATOM 858 N TRP A 62 -12.095 -8.959 1.180 1.00 0.00 N ATOM 859 CA TRP A 62 -11.522 -7.737 0.640 1.00 0.00 C ATOM 860 C TRP A 62 -11.563 -7.864 -0.871 1.00 0.00 C ATOM 861 O TRP A 62 -11.315 -8.954 -1.389 1.00 0.00 O ATOM 862 CB TRP A 62 -10.092 -7.517 1.142 1.00 0.00 C ATOM 863 CG TRP A 62 -10.038 -6.984 2.539 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.700 -7.675 3.649 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.369 -5.639 2.992 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.821 -6.853 4.752 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.290 -5.603 4.413 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.758 -4.453 2.341 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.628 -4.464 5.160 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -11.102 -3.305 3.077 1.00 0.00 C ATOM 871 CH2 TRP A 62 -11.045 -3.311 4.480 1.00 0.00 C ATOM 0 H TRP A 62 -11.414 -9.599 1.589 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.092 -6.869 0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.548 -8.461 1.098 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.581 -6.823 0.474 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.385 -8.708 3.671 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.591 -7.137 5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.793 -4.424 1.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.568 -4.475 6.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.413 -2.410 2.558 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.322 -2.427 5.035 1.00 0.00 H new ATOM 882 N GLN A 63 -11.910 -6.788 -1.573 1.00 0.00 N ATOM 883 CA GLN A 63 -12.012 -6.789 -3.025 1.00 0.00 C ATOM 884 C GLN A 63 -11.442 -5.488 -3.553 1.00 0.00 C ATOM 885 O GLN A 63 -11.728 -4.441 -2.971 1.00 0.00 O ATOM 886 CB GLN A 63 -13.465 -6.957 -3.492 1.00 0.00 C ATOM 887 CG GLN A 63 -14.164 -8.084 -2.743 1.00 0.00 C ATOM 888 CD GLN A 63 -15.428 -8.579 -3.421 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.236 -7.786 -3.888 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.649 -9.879 -3.429 1.00 0.00 N ATOM 0 H GLN A 63 -12.129 -5.888 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.447 -7.636 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.008 -6.025 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.483 -7.164 -4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.472 -8.918 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.412 -7.741 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.958 -10.516 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.511 -10.247 -3.831 1.00 0.00 H new ATOM 899 N THR A 64 -10.695 -5.539 -4.654 1.00 0.00 N ATOM 900 CA THR A 64 -10.223 -4.369 -5.391 1.00 0.00 C ATOM 901 C THR A 64 -11.448 -3.614 -5.933 1.00 0.00 C ATOM 902 O THR A 64 -11.979 -3.974 -6.989 1.00 0.00 O ATOM 903 CB THR A 64 -9.256 -4.797 -6.525 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.433 -5.888 -6.165 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.328 -3.666 -6.973 1.00 0.00 C ATOM 0 H THR A 64 -10.393 -6.420 -5.070 1.00 0.00 H new ATOM 0 HA THR A 64 -9.661 -3.705 -4.734 1.00 0.00 H new ATOM 0 HB THR A 64 -9.921 -5.083 -7.340 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.846 -6.117 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.675 -4.025 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.924 -2.831 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.724 -3.335 -6.128 1.00 0.00 H new ATOM 913 N VAL A 65 -11.938 -2.594 -5.228 1.00 0.00 N ATOM 914 CA VAL A 65 -13.097 -1.814 -5.661 1.00 0.00 C ATOM 915 C VAL A 65 -12.699 -0.657 -6.579 1.00 0.00 C ATOM 916 O VAL A 65 -13.560 -0.153 -7.302 1.00 0.00 O ATOM 917 CB VAL A 65 -13.932 -1.326 -4.465 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.610 -2.523 -3.766 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.116 -0.480 -3.475 1.00 0.00 C ATOM 0 H VAL A 65 -11.542 -2.285 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.728 -2.483 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.706 -0.664 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.198 -2.165 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.264 -3.034 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.848 -3.216 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.757 -0.164 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.290 -1.074 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.722 0.398 -3.986 1.00 0.00 H new ATOM 929 N ALA A 66 -11.426 -0.260 -6.600 1.00 0.00 N ATOM 930 CA ALA A 66 -10.885 0.599 -7.635 1.00 0.00 C ATOM 931 C ALA A 66 -9.468 0.136 -7.928 1.00 0.00 C ATOM 932 O ALA A 66 -8.665 -0.037 -7.008 1.00 0.00 O ATOM 933 CB ALA A 66 -10.899 2.060 -7.185 1.00 0.00 C ATOM 0 H ALA A 66 -10.744 -0.531 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.494 0.534 -8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.489 2.688 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.924 2.366 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.294 2.169 -6.285 1.00 0.00 H new ATOM 939 N ASN A 67 -9.147 -0.028 -9.205 1.00 0.00 N ATOM 940 CA ASN A 67 -7.814 -0.362 -9.675 1.00 0.00 C ATOM 941 C ASN A 67 -7.320 0.782 -10.553 1.00 0.00 C ATOM 942 O ASN A 67 -8.132 1.506 -11.132 1.00 0.00 O ATOM 943 CB ASN A 67 -7.861 -1.709 -10.410 1.00 0.00 C ATOM 944 CG ASN A 67 -6.519 -2.160 -10.963 1.00 0.00 C ATOM 945 OD1 ASN A 67 -5.484 -2.255 -10.144 1.00 0.00 O flip ATOM 946 ND2 ASN A 67 -6.404 -2.460 -12.141 1.00 0.00 N flip ATOM 0 H ASN A 67 -9.826 0.071 -9.960 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.110 -0.478 -8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.235 -2.471 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.575 -1.639 -11.230 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.206 -2.385 -12.767 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.506 -2.786 -12.499 1.00 0.00 H new ATOM 953 N HIS A 68 -5.998 0.951 -10.617 1.00 0.00 N ATOM 954 CA HIS A 68 -5.308 2.010 -11.359 1.00 0.00 C ATOM 955 C HIS A 68 -5.972 3.388 -11.174 1.00 0.00 C ATOM 956 O HIS A 68 -6.526 3.984 -12.102 1.00 0.00 O ATOM 957 CB HIS A 68 -5.120 1.614 -12.836 1.00 0.00 C ATOM 958 CG HIS A 68 -3.871 0.813 -13.097 1.00 0.00 C ATOM 959 ND1 HIS A 68 -3.747 -0.547 -13.039 1.00 0.00 N flip ATOM 960 CD2 HIS A 68 -2.651 1.325 -13.482 1.00 0.00 C flip ATOM 961 CE1 HIS A 68 -2.434 -0.872 -13.382 1.00 0.00 C flip ATOM 962 NE2 HIS A 68 -1.810 0.288 -13.640 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.351 0.328 -10.133 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.310 2.119 -10.934 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.985 1.036 -13.160 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.094 2.518 -13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.414 2.368 -13.630 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.005 -1.862 -13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.832 0.371 -13.918 1.00 0.00 H new ATOM 970 N VAL A 69 -5.891 3.924 -9.958 1.00 0.00 N ATOM 971 CA VAL A 69 -6.365 5.257 -9.608 1.00 0.00 C ATOM 972 C VAL A 69 -5.174 6.209 -9.611 1.00 0.00 C ATOM 973 O VAL A 69 -4.238 6.024 -8.836 1.00 0.00 O ATOM 974 CB VAL A 69 -7.083 5.193 -8.244 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.518 6.571 -7.752 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.350 4.340 -8.349 1.00 0.00 C ATOM 0 H VAL A 69 -5.481 3.426 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.088 5.631 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.365 4.764 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.018 6.472 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.643 7.211 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.204 7.015 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.846 4.304 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.024 4.779 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.084 3.329 -8.658 1.00 0.00 H new ATOM 986 N LYS A 70 -5.187 7.229 -10.468 1.00 0.00 N ATOM 987 CA LYS A 70 -4.084 8.177 -10.612 1.00 0.00 C ATOM 988 C LYS A 70 -4.557 9.546 -10.142 1.00 0.00 C ATOM 989 O LYS A 70 -4.515 10.532 -10.872 1.00 0.00 O ATOM 990 CB LYS A 70 -3.535 8.143 -12.048 1.00 0.00 C ATOM 991 CG LYS A 70 -3.246 6.705 -12.522 1.00 0.00 C ATOM 992 CD LYS A 70 -4.397 6.023 -13.276 1.00 0.00 C ATOM 993 CE LYS A 70 -4.297 6.448 -14.731 1.00 0.00 C ATOM 994 NZ LYS A 70 -5.546 6.227 -15.490 1.00 0.00 N ATOM 0 H LYS A 70 -5.973 7.422 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.237 7.904 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.254 8.609 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.620 8.733 -12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.369 6.722 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.991 6.097 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.326 4.939 -13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.359 6.316 -12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.034 7.505 -14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.487 5.897 -15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.414 6.536 -16.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.787 5.215 -15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.317 6.773 -15.056 1.00 0.00 H new ATOM 1008 N THR A 71 -5.132 9.561 -8.946 1.00 0.00 N ATOM 1009 CA THR A 71 -5.646 10.729 -8.249 1.00 0.00 C ATOM 1010 C THR A 71 -5.621 10.414 -6.744 1.00 0.00 C ATOM 1011 O THR A 71 -5.352 9.270 -6.354 1.00 0.00 O ATOM 1012 CB THR A 71 -7.035 11.107 -8.830 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.820 11.838 -7.919 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.890 9.944 -9.365 1.00 0.00 C ATOM 0 H THR A 71 -5.259 8.705 -8.406 1.00 0.00 H new ATOM 0 HA THR A 71 -5.035 11.620 -8.395 1.00 0.00 H new ATOM 0 HB THR A 71 -6.757 11.718 -9.689 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.587 11.295 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.836 10.332 -9.744 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.356 9.440 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.085 9.235 -8.560 1.00 0.00 H new ATOM 1022 N THR A 72 -5.965 11.382 -5.894 1.00 0.00 N ATOM 1023 CA THR A 72 -6.052 11.258 -4.440 1.00 0.00 C ATOM 1024 C THR A 72 -7.424 11.682 -3.877 1.00 0.00 C ATOM 1025 O THR A 72 -7.559 11.758 -2.653 1.00 0.00 O ATOM 1026 CB THR A 72 -4.824 11.940 -3.802 1.00 0.00 C ATOM 1027 OG1 THR A 72 -4.404 13.106 -4.487 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.617 10.996 -3.867 1.00 0.00 C ATOM 0 H THR A 72 -6.202 12.320 -6.218 1.00 0.00 H new ATOM 0 HA THR A 72 -6.007 10.206 -4.157 1.00 0.00 H new ATOM 0 HB THR A 72 -5.134 12.193 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.625 13.490 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.751 11.481 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.843 10.078 -3.324 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.397 10.757 -4.908 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.460 11.868 -4.721 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.844 11.579 -4.321 1.00 0.00 C ATOM 1038 C LEU A 73 -10.505 10.697 -5.372 1.00 0.00 C ATOM 1039 O LEU A 73 -10.329 10.932 -6.575 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.705 12.843 -4.150 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.455 13.540 -2.805 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -9.469 14.707 -2.931 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.756 14.040 -2.210 1.00 0.00 C ATOM 0 H LEU A 73 -8.361 12.214 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.785 11.080 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.492 13.538 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.759 12.576 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.013 12.795 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.324 15.168 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.513 14.337 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.867 15.446 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.556 14.530 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.219 14.751 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.430 13.198 -2.050 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.314 9.734 -4.936 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.030 8.796 -5.801 1.00 0.00 C ATOM 1057 C TYR A 74 -13.379 8.490 -5.166 1.00 0.00 C ATOM 1058 O TYR A 74 -13.514 8.536 -3.941 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.187 7.522 -5.998 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.740 6.517 -6.992 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.429 6.628 -8.360 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.567 5.468 -6.552 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -11.956 5.704 -9.281 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.132 4.568 -7.467 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.823 4.682 -8.838 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.346 3.804 -9.731 1.00 0.00 O ATOM 0 H TYR A 74 -11.495 9.579 -3.944 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.198 9.229 -6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.189 7.815 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.076 7.028 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.785 7.424 -8.704 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.769 5.354 -5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.697 5.777 -10.327 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.800 3.792 -7.124 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.921 3.164 -9.262 1.00 0.00 H new ATOM 1076 N THR A 75 -14.368 8.167 -5.987 1.00 0.00 N ATOM 1077 CA THR A 75 -15.702 7.768 -5.592 1.00 0.00 C ATOM 1078 C THR A 75 -15.882 6.286 -5.900 1.00 0.00 C ATOM 1079 O THR A 75 -15.976 5.872 -7.059 1.00 0.00 O ATOM 1080 CB THR A 75 -16.706 8.697 -6.276 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.609 9.965 -5.662 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.165 8.257 -6.137 1.00 0.00 C ATOM 0 H THR A 75 -14.250 8.178 -7.000 1.00 0.00 H new ATOM 0 HA THR A 75 -15.873 7.872 -4.520 1.00 0.00 H new ATOM 0 HB THR A 75 -16.457 8.694 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.243 10.582 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.810 8.970 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.291 7.269 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.434 8.218 -5.082 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.924 5.490 -4.834 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.376 4.114 -4.870 1.00 0.00 C ATOM 1092 C VAL A 76 -17.822 4.130 -5.356 1.00 0.00 C ATOM 1093 O VAL A 76 -18.598 4.991 -4.934 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.288 3.488 -3.461 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.472 1.966 -3.543 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.942 3.760 -2.779 1.00 0.00 C ATOM 0 H VAL A 76 -15.637 5.797 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.753 3.517 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.080 3.950 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.408 1.537 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.448 1.740 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.691 1.538 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.934 3.298 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.137 3.341 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.797 4.835 -2.677 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.205 3.171 -6.196 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.596 2.878 -6.537 1.00 0.00 C ATOM 1108 C ARG A 77 -19.836 1.385 -6.383 1.00 0.00 C ATOM 1109 O ARG A 77 -18.922 0.628 -6.048 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.894 3.288 -7.982 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.734 4.784 -8.261 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.879 5.010 -9.765 1.00 0.00 C ATOM 1113 NE ARG A 77 -20.325 6.367 -10.110 1.00 0.00 N ATOM 1114 CZ ARG A 77 -20.470 6.817 -11.361 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -20.144 6.064 -12.407 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.961 8.027 -11.578 1.00 0.00 N ATOM 0 H ARG A 77 -17.540 2.560 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.251 3.440 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.232 2.734 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.914 2.992 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.487 5.354 -7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.760 5.132 -7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.921 4.816 -10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.590 4.288 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.538 7.008 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.775 5.124 -12.263 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.262 6.426 -13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.229 8.617 -10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.071 8.369 -12.533 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.047 0.938 -6.703 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.328 -0.482 -6.831 1.00 0.00 C ATOM 1132 C GLY A 78 -21.418 -1.140 -5.465 1.00 0.00 C ATOM 1133 O GLY A 78 -20.907 -2.246 -5.278 1.00 0.00 O ATOM 0 H GLY A 78 -21.849 1.543 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.264 -0.625 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.545 -0.961 -7.419 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.996 -0.427 -4.499 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.114 -0.848 -3.105 1.00 0.00 C ATOM 1139 C LEU A 79 -23.566 -1.215 -2.779 1.00 0.00 C ATOM 1140 O LEU A 79 -24.459 -1.147 -3.624 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.581 0.261 -2.177 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.116 0.644 -2.445 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.849 2.063 -1.948 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.133 -0.326 -1.796 1.00 0.00 C ATOM 0 H LEU A 79 -22.408 0.490 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.509 -1.740 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.205 1.148 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.678 -0.067 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.960 0.592 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.809 2.327 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.504 2.761 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.043 2.116 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.113 -0.011 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.287 -0.332 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.296 -1.328 -2.192 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.809 -1.590 -1.527 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.128 -1.930 -0.980 1.00 0.00 C ATOM 1158 C ARG A 80 -25.637 -0.771 -0.127 1.00 0.00 C ATOM 1159 O ARG A 80 -24.828 -0.224 0.627 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.036 -3.166 -0.074 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.736 -4.411 -0.893 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.746 -5.683 -0.041 1.00 0.00 C ATOM 1163 NE ARG A 80 -26.105 -6.175 0.188 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.803 -6.988 -0.611 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -26.265 -7.552 -1.687 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -28.070 -7.206 -0.315 1.00 0.00 N ATOM 0 H ARG A 80 -23.065 -1.670 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.800 -2.130 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.255 -3.019 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -25.973 -3.297 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.473 -4.505 -1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.762 -4.303 -1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.158 -6.456 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -24.266 -5.482 0.917 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.566 -5.866 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -25.290 -7.369 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -26.827 -8.168 -2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -28.487 -6.760 0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -28.633 -7.821 -0.903 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.929 -0.414 -0.191 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.512 0.626 0.656 1.00 0.00 C ATOM 1182 C PRO A 81 -27.717 0.148 2.098 1.00 0.00 C ATOM 1183 O PRO A 81 -27.793 -1.056 2.361 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.815 1.030 -0.044 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.209 -0.189 -0.881 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.923 -0.994 -1.084 1.00 0.00 C ATOM 0 HA PRO A 81 -26.850 1.485 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.591 1.279 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.670 1.909 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.966 -0.785 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.634 0.115 -1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.084 -2.047 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.591 -0.941 -2.121 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.831 1.101 3.036 1.00 0.00 N ATOM 1195 CA ASN A 82 -28.044 0.889 4.481 1.00 0.00 C ATOM 1196 C ASN A 82 -26.972 -0.027 5.120 1.00 0.00 C ATOM 1197 O ASN A 82 -27.170 -0.525 6.228 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.489 0.364 4.692 1.00 0.00 C ATOM 1199 CG ASN A 82 -30.097 0.624 6.070 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -30.213 -0.269 6.908 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.586 1.830 6.310 1.00 0.00 N ATOM 0 H ASN A 82 -27.775 2.091 2.798 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.930 1.840 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -30.134 0.818 3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.495 -0.711 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -31.061 2.021 7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -30.488 2.568 5.613 1.00 0.00 H new ATOM 1208 N THR A 83 -25.841 -0.262 4.442 1.00 0.00 N ATOM 1209 CA THR A 83 -24.880 -1.325 4.725 1.00 0.00 C ATOM 1210 C THR A 83 -23.518 -0.728 5.048 1.00 0.00 C ATOM 1211 O THR A 83 -23.086 0.256 4.442 1.00 0.00 O ATOM 1212 CB THR A 83 -24.887 -2.348 3.560 1.00 0.00 C ATOM 1213 OG1 THR A 83 -26.160 -2.960 3.532 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.836 -3.452 3.680 1.00 0.00 C ATOM 0 H THR A 83 -25.563 0.312 3.646 1.00 0.00 H new ATOM 0 HA THR A 83 -25.163 -1.885 5.616 1.00 0.00 H new ATOM 0 HB THR A 83 -24.652 -1.793 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.806 -2.353 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.913 -4.122 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.842 -3.006 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 83 -24.004 -4.016 4.598 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.862 -1.320 6.047 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.551 -0.906 6.505 1.00 0.00 C ATOM 1224 C ILE A 84 -20.488 -1.431 5.556 1.00 0.00 C ATOM 1225 O ILE A 84 -20.602 -2.538 5.027 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.316 -1.406 7.943 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -22.223 -0.699 8.963 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.846 -1.296 8.410 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -22.016 0.809 9.109 1.00 0.00 C ATOM 0 H ILE A 84 -23.240 -2.114 6.564 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.492 0.182 6.514 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.573 -2.464 7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.261 -0.878 8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -22.072 -1.163 9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.760 -1.667 9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.210 -1.890 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.530 -0.253 8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.708 1.201 9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.992 1.007 9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.200 1.296 8.151 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.401 -0.686 5.419 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.247 -1.072 4.620 1.00 0.00 C ATOM 1243 C TYR A 85 -16.970 -0.632 5.317 1.00 0.00 C ATOM 1244 O TYR A 85 -16.981 0.287 6.136 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.303 -0.375 3.259 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.193 -1.071 2.258 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.579 -0.828 2.245 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.624 -1.991 1.357 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.405 -1.525 1.350 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.438 -2.676 0.443 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.831 -2.454 0.453 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.618 -3.143 -0.405 1.00 0.00 O ATOM 0 H TYR A 85 -19.294 0.223 5.870 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.259 -2.155 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.657 0.647 3.398 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.294 -0.310 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.007 -0.105 2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.559 -2.170 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.471 -1.353 1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.002 -3.368 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.063 -3.552 -1.101 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.860 -1.229 4.899 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.501 -0.794 5.181 1.00 0.00 C ATOM 1264 C LEU A 86 -13.766 -0.618 3.882 1.00 0.00 C ATOM 1265 O LEU A 86 -14.231 -1.140 2.873 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.787 -1.796 6.102 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.434 -1.963 7.482 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -14.025 -3.296 8.119 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -14.068 -0.789 8.388 1.00 0.00 C ATOM 0 H LEU A 86 -15.887 -2.072 4.325 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.523 0.161 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.758 -2.767 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.754 -1.475 6.235 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.517 -1.972 7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.496 -3.392 9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.346 -4.118 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.942 -3.327 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.535 -0.923 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.985 -0.745 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.422 0.140 7.941 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.643 0.106 3.934 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.775 0.393 2.805 1.00 0.00 C ATOM 1283 C PHE A 87 -10.305 0.279 3.203 1.00 0.00 C ATOM 1284 O PHE A 87 -9.976 0.494 4.371 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.060 1.794 2.245 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.460 1.970 1.701 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -13.841 1.260 0.553 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.377 2.840 2.316 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.143 1.378 0.045 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.658 3.012 1.764 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.050 2.269 0.636 1.00 0.00 C ATOM 0 H PHE A 87 -12.307 0.521 4.803 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.982 -0.345 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.893 2.529 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.344 2.009 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.127 0.619 0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.098 3.375 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.447 0.782 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.344 3.718 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.043 2.384 0.228 1.00 0.00 H new ATOM 1301 N MET A 88 -9.426 0.021 2.230 1.00 0.00 N ATOM 1302 CA MET A 88 -7.985 0.257 2.275 1.00 0.00 C ATOM 1303 C MET A 88 -7.621 1.037 1.012 1.00 0.00 C ATOM 1304 O MET A 88 -8.384 1.045 0.047 1.00 0.00 O ATOM 1305 CB MET A 88 -7.180 -1.052 2.242 1.00 0.00 C ATOM 1306 CG MET A 88 -7.632 -2.186 3.150 1.00 0.00 C ATOM 1307 SD MET A 88 -6.751 -3.714 2.736 1.00 0.00 S ATOM 1308 CE MET A 88 -6.691 -4.437 4.383 1.00 0.00 C ATOM 0 H MET A 88 -9.721 -0.381 1.340 1.00 0.00 H new ATOM 0 HA MET A 88 -7.749 0.786 3.199 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.184 -1.422 1.217 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.146 -0.815 2.491 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.447 -1.923 4.191 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.706 -2.338 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.393 -5.483 4.311 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.967 -3.895 4.992 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.676 -4.371 4.845 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.415 1.589 0.966 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.782 2.163 -0.209 1.00 0.00 C ATOM 1320 C VAL A 89 -4.366 1.572 -0.241 1.00 0.00 C ATOM 1321 O VAL A 89 -3.768 1.330 0.814 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.779 3.698 -0.084 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.101 4.378 -1.270 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.193 4.283 -0.009 1.00 0.00 C ATOM 0 H VAL A 89 -5.822 1.650 1.794 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.304 1.932 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.231 3.891 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.126 5.459 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.065 4.044 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.627 4.117 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.134 5.368 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.743 4.021 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.709 3.877 0.861 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.812 1.338 -1.432 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.439 0.866 -1.649 1.00 0.00 C ATOM 1336 C ARG A 90 -1.856 1.684 -2.794 1.00 0.00 C ATOM 1337 O ARG A 90 -2.539 1.863 -3.801 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.444 -0.640 -1.992 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.759 -1.536 -0.784 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.099 -2.967 -1.225 1.00 0.00 C ATOM 1341 NE ARG A 90 -2.927 -3.917 -0.110 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.152 -5.238 -0.147 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -3.798 -5.812 -1.154 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -2.701 -5.993 0.847 1.00 0.00 N ATOM 0 H ARG A 90 -4.323 1.476 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.835 0.993 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.180 -0.825 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.471 -0.917 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.903 -1.555 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.596 -1.117 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.127 -3.006 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.458 -3.257 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.605 -3.531 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.140 -5.245 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.953 -6.820 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.193 -5.566 1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.863 -7.000 0.836 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.628 2.189 -2.662 1.00 0.00 N ATOM 1359 CA ALA A 91 0.079 2.834 -3.764 1.00 0.00 C ATOM 1360 C ALA A 91 0.811 1.735 -4.525 1.00 0.00 C ATOM 1361 O ALA A 91 1.547 0.954 -3.929 1.00 0.00 O ATOM 1362 CB ALA A 91 1.057 3.892 -3.243 1.00 0.00 C ATOM 0 H ALA A 91 -0.099 2.161 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.619 3.354 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.571 4.358 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.508 4.652 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.788 3.420 -2.587 1.00 0.00 H new ATOM 1368 N ILE A 92 0.602 1.640 -5.831 1.00 0.00 N ATOM 1369 CA ILE A 92 1.234 0.644 -6.680 1.00 0.00 C ATOM 1370 C ILE A 92 2.586 1.173 -7.142 1.00 0.00 C ATOM 1371 O ILE A 92 2.758 2.381 -7.307 1.00 0.00 O ATOM 1372 CB ILE A 92 0.261 0.294 -7.831 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.213 -1.140 -7.581 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.835 0.454 -9.249 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.369 -1.521 -8.491 1.00 0.00 C ATOM 0 H ILE A 92 -0.024 2.266 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 92 1.437 -0.285 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.559 1.012 -7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.616 -1.829 -7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.520 -1.245 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.075 0.184 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.137 1.490 -9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.700 -0.198 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.675 -2.546 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.208 -0.848 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.054 -1.442 -9.532 1.00 0.00 H new ATOM 1387 N ASN A 93 3.521 0.272 -7.428 1.00 0.00 N ATOM 1388 CA ASN A 93 4.838 0.617 -7.968 1.00 0.00 C ATOM 1389 C ASN A 93 5.319 -0.491 -8.915 1.00 0.00 C ATOM 1390 O ASN A 93 4.705 -1.563 -8.958 1.00 0.00 O ATOM 1391 CB ASN A 93 5.810 0.952 -6.810 1.00 0.00 C ATOM 1392 CG ASN A 93 6.751 -0.160 -6.365 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.405 -1.331 -6.388 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.952 0.175 -5.926 1.00 0.00 N ATOM 0 H ASN A 93 3.387 -0.730 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 93 4.787 1.520 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.413 1.809 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.219 1.263 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.597 -0.547 -5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.234 1.155 -5.910 1.00 0.00 H new ATOM 1401 N PRO A 94 6.397 -0.279 -9.693 1.00 0.00 N ATOM 1402 CA PRO A 94 6.887 -1.255 -10.661 1.00 0.00 C ATOM 1403 C PRO A 94 7.570 -2.480 -10.020 1.00 0.00 C ATOM 1404 O PRO A 94 8.341 -3.178 -10.680 1.00 0.00 O ATOM 1405 CB PRO A 94 7.765 -0.461 -11.639 1.00 0.00 C ATOM 1406 CG PRO A 94 8.177 0.804 -10.895 1.00 0.00 C ATOM 1407 CD PRO A 94 7.131 0.974 -9.795 1.00 0.00 C ATOM 0 HA PRO A 94 6.065 -1.729 -11.197 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.638 -1.040 -11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.216 -0.218 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.178 0.707 -10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.193 1.666 -11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.609 1.217 -8.846 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.456 1.796 -10.032 1.00 0.00 H new ATOM 1415 N GLN A 95 7.327 -2.765 -8.742 1.00 0.00 N ATOM 1416 CA GLN A 95 7.721 -3.988 -8.059 1.00 0.00 C ATOM 1417 C GLN A 95 6.452 -4.649 -7.532 1.00 0.00 C ATOM 1418 O GLN A 95 6.030 -5.662 -8.083 1.00 0.00 O ATOM 1419 CB GLN A 95 8.788 -3.705 -6.988 1.00 0.00 C ATOM 1420 CG GLN A 95 10.111 -3.201 -7.590 1.00 0.00 C ATOM 1421 CD GLN A 95 10.931 -4.250 -8.344 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.555 -5.413 -8.491 1.00 0.00 O ATOM 1423 NE2 GLN A 95 12.089 -3.875 -8.866 1.00 0.00 N ATOM 0 H GLN A 95 6.828 -2.119 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 95 8.206 -4.689 -8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.406 -2.963 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.976 -4.615 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.891 -2.379 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.724 -2.794 -6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.413 -2.914 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.657 -4.547 -9.382 1.00 0.00 H new ATOM 1432 N GLY A 96 5.743 -4.034 -6.589 1.00 0.00 N ATOM 1433 CA GLY A 96 4.500 -4.529 -6.009 1.00 0.00 C ATOM 1434 C GLY A 96 3.559 -3.374 -5.664 1.00 0.00 C ATOM 1435 O GLY A 96 3.233 -2.542 -6.511 1.00 0.00 O ATOM 0 H GLY A 96 6.032 -3.140 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.011 -5.204 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.718 -5.106 -5.110 1.00 0.00 H new ATOM 1439 N LEU A 97 3.087 -3.348 -4.420 1.00 0.00 N ATOM 1440 CA LEU A 97 2.158 -2.392 -3.847 1.00 0.00 C ATOM 1441 C LEU A 97 2.643 -2.072 -2.437 1.00 0.00 C ATOM 1442 O LEU A 97 3.220 -2.945 -1.782 1.00 0.00 O ATOM 1443 CB LEU A 97 0.736 -2.976 -3.889 1.00 0.00 C ATOM 1444 CG LEU A 97 0.535 -4.291 -3.102 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.167 -4.039 -1.637 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.560 -5.124 -3.770 1.00 0.00 C ATOM 0 H LEU A 97 3.369 -4.052 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 97 2.120 -1.460 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.044 -2.230 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.464 -3.150 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 97 1.482 -4.831 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.036 -4.993 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.964 -3.474 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.762 -3.470 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.701 -6.051 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.493 -4.560 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.267 -5.355 -4.794 1.00 0.00 H new ATOM 1458 N SER A 98 2.451 -0.836 -1.994 1.00 0.00 N ATOM 1459 CA SER A 98 2.850 -0.367 -0.677 1.00 0.00 C ATOM 1460 C SER A 98 1.926 -0.960 0.388 1.00 0.00 C ATOM 1461 O SER A 98 0.902 -1.566 0.075 1.00 0.00 O ATOM 1462 CB SER A 98 2.899 1.169 -0.638 1.00 0.00 C ATOM 1463 OG SER A 98 1.634 1.787 -0.796 1.00 0.00 O ATOM 0 H SER A 98 2.001 -0.114 -2.557 1.00 0.00 H new ATOM 0 HA SER A 98 3.860 -0.712 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.331 1.485 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.566 1.522 -1.425 1.00 0.00 H new ATOM 0 HG SER A 98 1.150 1.765 0.056 1.00 0.00 H new ATOM 1469 N ASP A 99 2.320 -0.866 1.656 1.00 0.00 N ATOM 1470 CA ASP A 99 1.540 -1.402 2.771 1.00 0.00 C ATOM 1471 C ASP A 99 0.120 -0.819 2.720 1.00 0.00 C ATOM 1472 O ASP A 99 -0.035 0.359 2.385 1.00 0.00 O ATOM 1473 CB ASP A 99 2.214 -1.086 4.115 1.00 0.00 C ATOM 1474 CG ASP A 99 3.544 -1.809 4.353 1.00 0.00 C ATOM 1475 OD1 ASP A 99 4.067 -2.520 3.461 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.118 -1.635 5.452 1.00 0.00 O ATOM 0 H ASP A 99 3.190 -0.416 1.940 1.00 0.00 H new ATOM 0 HA ASP A 99 1.486 -2.487 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.385 -0.011 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.526 -1.345 4.920 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.924 -1.595 3.059 1.00 0.00 N ATOM 1482 CA PRO A 100 -2.284 -1.080 3.057 1.00 0.00 C ATOM 1483 C PRO A 100 -2.387 0.057 4.074 1.00 0.00 C ATOM 1484 O PRO A 100 -1.922 -0.079 5.212 1.00 0.00 O ATOM 1485 CB PRO A 100 -3.184 -2.274 3.398 1.00 0.00 C ATOM 1486 CG PRO A 100 -2.258 -3.233 4.150 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.888 -2.975 3.523 1.00 0.00 C ATOM 0 HA PRO A 100 -2.587 -0.660 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.031 -1.972 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.592 -2.736 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.254 -3.029 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.568 -4.271 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.090 -3.123 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.699 -3.661 2.698 1.00 0.00 H new ATOM 1495 N SER A 101 -2.994 1.178 3.683 1.00 0.00 N ATOM 1496 CA SER A 101 -3.349 2.235 4.622 1.00 0.00 C ATOM 1497 C SER A 101 -4.206 1.669 5.766 1.00 0.00 C ATOM 1498 O SER A 101 -4.938 0.698 5.540 1.00 0.00 O ATOM 1499 CB SER A 101 -4.114 3.347 3.893 1.00 0.00 C ATOM 1500 OG SER A 101 -5.321 2.868 3.322 1.00 0.00 O ATOM 0 H SER A 101 -3.250 1.375 2.716 1.00 0.00 H new ATOM 0 HA SER A 101 -2.434 2.650 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.337 4.153 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.484 3.769 3.110 1.00 0.00 H new ATOM 0 HG SER A 101 -5.858 3.626 3.008 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.226 2.321 6.942 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.208 2.055 7.984 1.00 0.00 C ATOM 1508 C PRO A 102 -6.624 2.012 7.408 1.00 0.00 C ATOM 1509 O PRO A 102 -6.947 2.802 6.513 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.064 3.215 8.966 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.614 3.642 8.811 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.338 3.402 7.332 1.00 0.00 C ATOM 0 HA PRO A 102 -5.042 1.088 8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.749 4.029 8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.283 2.904 9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.471 4.688 9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.951 3.054 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.532 4.300 6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.295 3.132 7.166 1.00 0.00 H new ATOM 1520 N MET A 103 -7.470 1.127 7.942 1.00 0.00 N ATOM 1521 CA MET A 103 -8.866 1.066 7.540 1.00 0.00 C ATOM 1522 C MET A 103 -9.544 2.413 7.775 1.00 0.00 C ATOM 1523 O MET A 103 -9.268 3.116 8.748 1.00 0.00 O ATOM 1524 CB MET A 103 -9.613 -0.035 8.304 1.00 0.00 C ATOM 1525 CG MET A 103 -9.577 -1.375 7.574 1.00 0.00 C ATOM 1526 SD MET A 103 -10.633 -2.628 8.327 1.00 0.00 S ATOM 1527 CE MET A 103 -9.675 -3.135 9.772 1.00 0.00 C ATOM 0 H MET A 103 -7.206 0.445 8.654 1.00 0.00 H new ATOM 0 HA MET A 103 -8.899 0.829 6.477 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.171 -0.151 9.294 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.650 0.268 8.452 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.885 -1.225 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.551 -1.741 7.552 1.00 0.00 H new ATOM 0 HE1 MET A 103 -10.221 -3.904 10.319 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.713 -3.533 9.449 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.513 -2.275 10.421 1.00 0.00 H new ATOM 1537 N SER A 104 -10.494 2.734 6.908 1.00 0.00 N ATOM 1538 CA SER A 104 -11.222 3.987 6.868 1.00 0.00 C ATOM 1539 C SER A 104 -12.117 4.274 8.070 1.00 0.00 C ATOM 1540 O SER A 104 -12.740 5.330 8.038 1.00 0.00 O ATOM 1541 CB SER A 104 -12.105 3.922 5.612 1.00 0.00 C ATOM 1542 OG SER A 104 -12.956 2.778 5.663 1.00 0.00 O ATOM 0 H SER A 104 -10.791 2.090 6.175 1.00 0.00 H new ATOM 0 HA SER A 104 -10.485 4.790 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.706 4.828 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.479 3.878 4.721 1.00 0.00 H new ATOM 0 HG SER A 104 -13.559 2.853 6.432 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.206 3.411 9.088 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.360 3.300 10.001 1.00 0.00 C ATOM 1550 C ASP A 105 -14.557 2.731 9.207 1.00 0.00 C ATOM 1551 O ASP A 105 -14.597 2.866 7.975 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.703 4.659 10.645 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.522 4.656 11.926 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -14.134 3.971 12.896 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -15.481 5.462 12.008 1.00 0.00 O ATOM 0 H ASP A 105 -11.460 2.751 9.309 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.113 2.626 10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.766 5.178 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.241 5.252 9.906 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.517 2.052 9.854 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.716 1.557 9.198 1.00 0.00 C ATOM 1562 C PRO A 106 -17.591 2.740 8.761 1.00 0.00 C ATOM 1563 O PRO A 106 -18.110 3.463 9.615 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.428 0.649 10.211 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.457 0.502 11.378 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.540 1.713 11.260 1.00 0.00 C ATOM 0 HA PRO A 106 -16.488 0.989 8.296 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.371 1.088 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.663 -0.320 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.982 0.492 12.333 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.895 -0.430 11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.912 2.545 11.857 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.539 1.483 11.623 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.757 2.962 7.456 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.781 3.876 6.941 1.00 0.00 C ATOM 1576 C VAL A 107 -20.069 3.093 6.745 1.00 0.00 C ATOM 1577 O VAL A 107 -20.032 1.866 6.636 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.315 4.554 5.639 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.169 3.574 4.465 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.190 5.754 5.227 1.00 0.00 C ATOM 0 H VAL A 107 -17.192 2.519 6.732 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.958 4.679 7.657 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.323 4.937 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.838 4.115 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.435 2.809 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.130 3.101 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.806 6.184 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.216 5.420 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.168 6.508 6.014 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.189 3.793 6.577 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.445 3.234 6.113 1.00 0.00 C ATOM 1592 C ARG A 108 -22.920 3.990 4.880 1.00 0.00 C ATOM 1593 O ARG A 108 -22.839 5.219 4.858 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.464 3.441 7.225 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.669 2.504 7.078 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.835 3.272 7.669 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.884 2.393 8.185 1.00 0.00 N ATOM 1598 CZ ARG A 108 -28.163 2.728 8.364 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -28.656 3.885 7.932 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.940 1.872 9.000 1.00 0.00 N ATOM 0 H ARG A 108 -21.243 4.794 6.767 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.325 2.180 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -22.987 3.271 8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.806 4.476 7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.850 2.254 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.506 1.565 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.473 3.911 8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.257 3.927 6.907 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.614 1.440 8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -28.051 4.548 7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -29.639 4.110 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.557 0.988 9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -29.923 2.094 9.155 1.00 0.00 H new ATOM 1614 N THR A 109 -23.508 3.295 3.919 1.00 0.00 N ATOM 1615 CA THR A 109 -24.269 3.912 2.846 1.00 0.00 C ATOM 1616 C THR A 109 -25.615 4.437 3.366 1.00 0.00 C ATOM 1617 O THR A 109 -26.120 3.988 4.401 1.00 0.00 O ATOM 1618 CB THR A 109 -24.494 2.855 1.762 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.917 1.643 2.357 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.224 2.550 0.964 1.00 0.00 C ATOM 0 H THR A 109 -23.470 2.277 3.862 1.00 0.00 H new ATOM 0 HA THR A 109 -23.720 4.762 2.441 1.00 0.00 H new ATOM 0 HB THR A 109 -25.247 3.261 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.839 0.914 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.441 1.794 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.874 3.460 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.451 2.179 1.637 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.228 5.354 2.617 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.610 5.776 2.834 1.00 0.00 C ATOM 1630 C GLN A 110 -28.571 4.740 2.244 1.00 0.00 C ATOM 1631 O GLN A 110 -28.165 3.683 1.750 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.850 7.200 2.285 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.783 8.196 2.783 1.00 0.00 C ATOM 1634 CD GLN A 110 -27.268 9.628 3.034 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -28.383 10.029 2.706 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.439 10.443 3.663 1.00 0.00 N ATOM 0 H GLN A 110 -25.774 5.828 1.836 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.806 5.829 3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.843 7.175 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.838 7.545 2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.358 7.810 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.976 8.230 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.513 10.116 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.726 11.399 3.874 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.862 5.024 2.348 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.949 4.227 1.786 1.00 0.00 C ATOM 1647 C ASP A 111 -31.154 4.532 0.287 1.00 0.00 C ATOM 1648 O ASP A 111 -30.596 5.498 -0.225 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.196 4.505 2.630 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.440 3.913 1.980 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.486 2.673 1.795 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -34.269 4.704 1.488 1.00 0.00 O ATOM 0 H ASP A 111 -30.196 5.849 2.846 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.716 3.163 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.066 4.083 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.323 5.580 2.754 1.00 0.00 H new ATOM 1657 N SER A 112 -31.932 3.715 -0.435 1.00 0.00 N ATOM 1658 CA SER A 112 -32.161 3.764 -1.883 1.00 0.00 C ATOM 1659 C SER A 112 -33.540 4.372 -2.221 1.00 0.00 C ATOM 1660 O SER A 112 -34.224 3.902 -3.134 1.00 0.00 O ATOM 1661 CB SER A 112 -31.962 2.332 -2.418 1.00 0.00 C ATOM 1662 OG SER A 112 -31.837 2.264 -3.828 1.00 0.00 O ATOM 0 H SER A 112 -32.450 2.955 0.005 1.00 0.00 H new ATOM 0 HA SER A 112 -31.451 4.429 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.070 1.904 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.806 1.716 -2.107 1.00 0.00 H new ATOM 0 HG SER A 112 -32.565 2.770 -4.246 1.00 0.00 H new ATOM 1668 N GLY A 113 -33.996 5.387 -1.487 1.00 0.00 N ATOM 1669 CA GLY A 113 -35.268 6.059 -1.747 1.00 0.00 C ATOM 1670 C GLY A 113 -35.190 6.968 -2.981 1.00 0.00 C ATOM 1671 O GLY A 113 -34.088 7.291 -3.432 1.00 0.00 O ATOM 0 H GLY A 113 -33.488 5.769 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -36.050 5.314 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -35.551 6.651 -0.877 1.00 0.00 H new ATOM 1675 N PRO A 114 -36.333 7.403 -3.543 1.00 0.00 N ATOM 1676 CA PRO A 114 -36.367 8.350 -4.656 1.00 0.00 C ATOM 1677 C PRO A 114 -36.083 9.775 -4.160 1.00 0.00 C ATOM 1678 O PRO A 114 -36.501 10.131 -3.057 1.00 0.00 O ATOM 1679 CB PRO A 114 -37.787 8.239 -5.218 1.00 0.00 C ATOM 1680 CG PRO A 114 -38.628 7.870 -3.994 1.00 0.00 C ATOM 1681 CD PRO A 114 -37.680 7.015 -3.151 1.00 0.00 C ATOM 0 HA PRO A 114 -35.611 8.132 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -38.117 9.178 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -37.853 7.477 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -38.958 8.756 -3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -39.524 7.317 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -37.841 7.187 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -37.848 5.953 -3.331 1.00 0.00 H new ATOM 1689 N SER A 115 -35.434 10.595 -4.989 1.00 0.00 N ATOM 1690 CA SER A 115 -35.230 12.025 -4.786 1.00 0.00 C ATOM 1691 C SER A 115 -35.002 12.674 -6.150 1.00 0.00 C ATOM 1692 O SER A 115 -33.993 12.418 -6.817 1.00 0.00 O ATOM 1693 CB SER A 115 -34.027 12.296 -3.876 1.00 0.00 C ATOM 1694 OG SER A 115 -34.339 12.069 -2.517 1.00 0.00 O ATOM 0 H SER A 115 -35.019 10.262 -5.859 1.00 0.00 H new ATOM 0 HA SER A 115 -36.111 12.445 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.196 11.655 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.697 13.327 -4.006 1.00 0.00 H new ATOM 0 HG SER A 115 -35.094 11.447 -2.454 1.00 0.00 H new ATOM 1700 N SER A 116 -35.963 13.489 -6.575 1.00 0.00 N ATOM 1701 CA SER A 116 -35.935 14.347 -7.745 1.00 0.00 C ATOM 1702 C SER A 116 -37.181 15.241 -7.650 1.00 0.00 C ATOM 1703 O SER A 116 -37.978 15.133 -6.712 1.00 0.00 O ATOM 1704 CB SER A 116 -35.944 13.471 -9.008 1.00 0.00 C ATOM 1705 OG SER A 116 -35.731 14.162 -10.232 1.00 0.00 O ATOM 0 H SER A 116 -36.845 13.569 -6.070 1.00 0.00 H new ATOM 0 HA SER A 116 -35.040 14.967 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 116 -35.175 12.706 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 116 -36.902 12.954 -9.064 1.00 0.00 H new ATOM 0 HG SER A 116 -35.752 13.524 -10.976 1.00 0.00 H new ATOM 1711 N GLY A 117 -37.332 16.125 -8.625 1.00 0.00 N ATOM 1712 CA GLY A 117 -38.498 16.921 -8.939 1.00 0.00 C ATOM 1713 C GLY A 117 -38.217 17.399 -10.342 1.00 0.00 C ATOM 1714 O GLY A 117 -38.692 16.760 -11.302 1.00 0.00 O ATOM 0 H GLY A 117 -36.568 16.317 -9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -39.414 16.332 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -38.617 17.753 -8.245 1.00 0.00 H new TER 1718 GLY A 117