USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 129:sc= -4.03! USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -3.18! C(o=-19!,f=-7.2!) USER MOD Single : A 1 ASP N :NH3+ -164:sc= 0.681 (180deg=0.554) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 9 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0.353 (180deg=0.339) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.757! C(o=-5.5!,f=-0.76!) USER MOD Single : A 23 GLN : amide:sc= 0.869 K(o=0.87,f=-0.17) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.503 (180deg=-1.62!) USER MOD Single : A 26 SER OG : rot -160:sc=-0.00512 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0265) USER MOD Single : A 36 TYR OH : rot 128:sc= -6.33! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 88:sc= 0.367 USER MOD Single : A 41 GLN : amide:sc= -3.45! C(o=-3.5!,f=-5.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -171:sc= -1.41 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0311 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -7.92! C(o=-7.9!,f=-13!) USER MOD Single : A 83 SER OG : rot 76:sc= -1.68! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -1.84 F(o=-2.7,f=-1.8) USER MOD Single : A 102 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.4!) USER MOD Single : A 104 ASN :FLIP amide:sc= -2.1! C(o=-3.8!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.112 -13.256 -5.192 1.00 0.00 N ATOM 2 CA ASP A 1 9.775 -13.790 -5.557 1.00 0.00 C ATOM 3 C ASP A 1 8.726 -12.680 -5.622 1.00 0.00 C ATOM 4 O ASP A 1 8.471 -12.001 -4.648 1.00 0.00 O ATOM 5 CB ASP A 1 9.351 -14.806 -4.485 1.00 0.00 C ATOM 6 CG ASP A 1 9.481 -14.171 -3.101 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.223 -13.206 -3.015 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.833 -14.686 -2.205 1.00 0.00 O ATOM 0 H1 ASP A 1 11.841 -13.963 -5.417 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.297 -12.385 -5.730 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.136 -13.046 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 1 9.843 -14.254 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.322 -15.123 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.974 -15.698 -4.548 1.00 0.00 H new ATOM 13 N TRP A 2 8.141 -12.522 -6.782 1.00 0.00 N ATOM 14 CA TRP A 2 7.104 -11.472 -6.955 1.00 0.00 C ATOM 15 C TRP A 2 5.763 -11.935 -6.398 1.00 0.00 C ATOM 16 O TRP A 2 4.964 -12.517 -7.102 1.00 0.00 O ATOM 17 CB TRP A 2 6.945 -11.207 -8.470 1.00 0.00 C ATOM 18 CG TRP A 2 7.729 -9.950 -8.869 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.690 -9.397 -8.139 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.513 -9.262 -9.968 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.044 -8.314 -8.856 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.341 -8.159 -10.037 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.632 -9.522 -11.006 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.287 -7.320 -11.131 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.587 -8.685 -12.100 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.414 -7.586 -12.162 1.00 0.00 C ATOM 0 H TRP A 2 8.340 -13.077 -7.614 1.00 0.00 H new ATOM 0 HA TRP A 2 7.409 -10.572 -6.421 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.305 -12.065 -9.037 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.891 -11.081 -8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.092 -9.735 -7.195 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.769 -7.663 -8.554 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.980 -10.382 -10.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.930 -6.454 -11.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.902 -8.891 -12.909 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.378 -6.932 -13.020 1.00 0.00 H new ATOM 37 N VAL A 3 5.539 -11.666 -5.138 1.00 0.00 N ATOM 38 CA VAL A 3 4.255 -12.084 -4.518 1.00 0.00 C ATOM 39 C VAL A 3 3.936 -11.221 -3.302 1.00 0.00 C ATOM 40 O VAL A 3 4.311 -11.549 -2.194 1.00 0.00 O ATOM 41 CB VAL A 3 4.381 -13.547 -4.054 1.00 0.00 C ATOM 42 CG1 VAL A 3 3.121 -13.937 -3.280 1.00 0.00 C ATOM 43 CG2 VAL A 3 4.522 -14.465 -5.271 1.00 0.00 C ATOM 0 H VAL A 3 6.186 -11.179 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 3 3.459 -11.973 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 3 5.259 -13.650 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.203 -14.972 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.011 -13.286 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.250 -13.831 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.611 -15.499 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.643 -14.363 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.413 -14.187 -5.835 1.00 0.00 H new ATOM 53 N ILE A 4 3.255 -10.130 -3.531 1.00 0.00 N ATOM 54 CA ILE A 4 2.908 -9.244 -2.398 1.00 0.00 C ATOM 55 C ILE A 4 1.739 -8.305 -2.763 1.00 0.00 C ATOM 56 O ILE A 4 1.941 -7.198 -3.218 1.00 0.00 O ATOM 57 CB ILE A 4 4.146 -8.406 -2.078 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.865 -7.485 -0.898 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.498 -7.545 -3.305 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.036 -8.272 0.406 1.00 0.00 C ATOM 0 H ILE A 4 2.929 -9.821 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 4 2.599 -9.845 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 4 4.973 -9.071 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.546 -6.634 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.853 -7.085 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.380 -6.943 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.703 -8.193 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.661 -6.888 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.836 -7.618 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.337 -9.109 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.056 -8.650 0.472 1.00 0.00 H new ATOM 72 N PRO A 5 0.524 -8.777 -2.542 1.00 0.00 N ATOM 73 CA PRO A 5 -0.671 -7.985 -2.846 1.00 0.00 C ATOM 74 C PRO A 5 -0.768 -6.667 -2.037 1.00 0.00 C ATOM 75 O PRO A 5 -1.156 -5.644 -2.570 1.00 0.00 O ATOM 76 CB PRO A 5 -1.859 -8.906 -2.486 1.00 0.00 C ATOM 77 CG PRO A 5 -1.267 -10.287 -2.060 1.00 0.00 C ATOM 78 CD PRO A 5 0.265 -10.145 -2.049 1.00 0.00 C ATOM 0 HA PRO A 5 -0.654 -7.675 -3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.448 -8.474 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.527 -9.022 -3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.633 -10.574 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.575 -11.068 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.668 -10.286 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.735 -10.891 -2.689 1.00 0.00 H new ATOM 86 N PRO A 6 -0.426 -6.718 -0.763 1.00 0.00 N ATOM 87 CA PRO A 6 -0.484 -5.530 0.092 1.00 0.00 C ATOM 88 C PRO A 6 0.574 -4.493 -0.281 1.00 0.00 C ATOM 89 O PRO A 6 1.694 -4.828 -0.615 1.00 0.00 O ATOM 90 CB PRO A 6 -0.204 -6.055 1.513 1.00 0.00 C ATOM 91 CG PRO A 6 0.088 -7.582 1.394 1.00 0.00 C ATOM 92 CD PRO A 6 0.011 -7.944 -0.097 1.00 0.00 C ATOM 0 HA PRO A 6 -1.448 -5.031 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.646 -5.535 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.060 -5.877 2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.073 -7.818 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.638 -8.158 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.979 -8.274 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.692 -8.759 -0.269 1.00 0.00 H new ATOM 100 N ILE A 7 0.187 -3.245 -0.212 1.00 0.00 N ATOM 101 CA ILE A 7 1.134 -2.151 -0.551 1.00 0.00 C ATOM 102 C ILE A 7 0.916 -0.965 0.387 1.00 0.00 C ATOM 103 O ILE A 7 -0.052 -0.934 1.124 1.00 0.00 O ATOM 104 CB ILE A 7 0.866 -1.687 -1.992 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.066 -2.842 -2.981 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.861 -0.565 -2.336 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.564 -3.070 -3.226 1.00 0.00 C ATOM 0 H ILE A 7 -0.746 -2.940 0.065 1.00 0.00 H new ATOM 0 HA ILE A 7 2.156 -2.517 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.163 -1.335 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.611 -3.751 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.565 -2.616 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.685 -0.223 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.724 0.267 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.880 -0.943 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.697 -3.892 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.007 -2.164 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.053 -3.316 -2.284 1.00 0.00 H new ATOM 119 N SER A 8 1.819 -0.012 0.342 1.00 0.00 N ATOM 120 CA SER A 8 1.681 1.182 1.226 1.00 0.00 C ATOM 121 C SER A 8 1.842 2.475 0.431 1.00 0.00 C ATOM 122 O SER A 8 2.727 2.594 -0.391 1.00 0.00 O ATOM 123 CB SER A 8 2.784 1.118 2.293 1.00 0.00 C ATOM 124 OG SER A 8 3.807 0.344 1.685 1.00 0.00 O ATOM 0 H SER A 8 2.638 -0.012 -0.265 1.00 0.00 H new ATOM 0 HA SER A 8 0.690 1.176 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.141 2.113 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.424 0.653 3.211 1.00 0.00 H new ATOM 0 HG SER A 8 4.561 0.253 2.305 1.00 0.00 H new ATOM 130 N CYS A 9 0.970 3.421 0.696 1.00 0.00 N ATOM 131 CA CYS A 9 1.041 4.723 -0.027 1.00 0.00 C ATOM 132 C CYS A 9 0.820 5.893 0.957 1.00 0.00 C ATOM 133 O CYS A 9 -0.273 6.081 1.451 1.00 0.00 O ATOM 134 CB CYS A 9 -0.084 4.748 -1.072 1.00 0.00 C ATOM 135 SG CYS A 9 0.137 3.731 -2.553 1.00 0.00 S ATOM 0 H CYS A 9 0.217 3.344 1.380 1.00 0.00 H new ATOM 0 HA CYS A 9 2.020 4.829 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.006 4.435 -0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.226 5.781 -1.390 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.898 3.863 -3.328 1.00 0.00 H new ATOM 141 N PRO A 10 1.871 6.665 1.225 1.00 0.00 N ATOM 142 CA PRO A 10 1.765 7.795 2.144 1.00 0.00 C ATOM 143 C PRO A 10 0.802 8.877 1.647 1.00 0.00 C ATOM 144 O PRO A 10 0.476 8.954 0.469 1.00 0.00 O ATOM 145 CB PRO A 10 3.190 8.377 2.231 1.00 0.00 C ATOM 146 CG PRO A 10 4.105 7.503 1.325 1.00 0.00 C ATOM 147 CD PRO A 10 3.212 6.450 0.653 1.00 0.00 C ATOM 0 HA PRO A 10 1.371 7.463 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.201 9.416 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.547 8.367 3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.604 8.118 0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.886 7.024 1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.203 6.573 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.571 5.441 0.856 1.00 0.00 H new ATOM 155 N GLU A 11 0.367 9.698 2.568 1.00 0.00 N ATOM 156 CA GLU A 11 -0.570 10.790 2.209 1.00 0.00 C ATOM 157 C GLU A 11 0.171 12.112 2.066 1.00 0.00 C ATOM 158 O GLU A 11 1.287 12.253 2.523 1.00 0.00 O ATOM 159 CB GLU A 11 -1.606 10.926 3.341 1.00 0.00 C ATOM 160 CG GLU A 11 -0.880 11.224 4.657 1.00 0.00 C ATOM 161 CD GLU A 11 -0.234 9.941 5.179 1.00 0.00 C ATOM 162 OE1 GLU A 11 -0.924 8.935 5.145 1.00 0.00 O ATOM 163 OE2 GLU A 11 0.912 10.039 5.585 1.00 0.00 O ATOM 0 H GLU A 11 0.624 9.654 3.554 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.050 10.553 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.310 11.726 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.186 10.007 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.120 11.990 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.582 11.616 5.392 1.00 0.00 H new ATOM 170 N ASN A 12 -0.465 13.056 1.433 1.00 0.00 N ATOM 171 CA ASN A 12 0.186 14.377 1.249 1.00 0.00 C ATOM 172 C ASN A 12 1.648 14.220 0.839 1.00 0.00 C ATOM 173 O ASN A 12 2.538 14.709 1.509 1.00 0.00 O ATOM 174 CB ASN A 12 0.127 15.131 2.586 1.00 0.00 C ATOM 175 CG ASN A 12 -1.320 15.168 3.082 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.241 15.411 2.326 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.563 14.934 4.343 1.00 0.00 N ATOM 0 H ASN A 12 -1.401 12.970 1.038 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.335 14.922 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.763 14.640 3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.507 16.145 2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.522 14.955 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.794 14.730 4.981 1.00 0.00 H new ATOM 184 N GLU A 13 1.872 13.542 -0.253 1.00 0.00 N ATOM 185 CA GLU A 13 3.268 13.348 -0.716 1.00 0.00 C ATOM 186 C GLU A 13 3.791 14.615 -1.385 1.00 0.00 C ATOM 187 O GLU A 13 3.037 15.361 -1.978 1.00 0.00 O ATOM 188 CB GLU A 13 3.288 12.198 -1.738 1.00 0.00 C ATOM 189 CG GLU A 13 4.741 11.816 -2.037 1.00 0.00 C ATOM 190 CD GLU A 13 4.768 10.513 -2.840 1.00 0.00 C ATOM 191 OE1 GLU A 13 3.690 10.090 -3.223 1.00 0.00 O ATOM 192 OE2 GLU A 13 5.866 10.014 -3.022 1.00 0.00 O ATOM 0 H GLU A 13 1.152 13.118 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 13 3.902 13.116 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.746 11.337 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.783 12.501 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.230 12.612 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.296 11.695 -1.107 1.00 0.00 H new ATOM 199 N LYS A 14 5.072 14.837 -1.278 1.00 0.00 N ATOM 200 CA LYS A 14 5.656 16.050 -1.902 1.00 0.00 C ATOM 201 C LYS A 14 6.098 15.773 -3.335 1.00 0.00 C ATOM 202 O LYS A 14 6.123 14.639 -3.771 1.00 0.00 O ATOM 203 CB LYS A 14 6.885 16.471 -1.080 1.00 0.00 C ATOM 204 CG LYS A 14 7.670 15.219 -0.673 1.00 0.00 C ATOM 205 CD LYS A 14 9.162 15.562 -0.584 1.00 0.00 C ATOM 206 CE LYS A 14 9.705 15.825 -1.991 1.00 0.00 C ATOM 207 NZ LYS A 14 11.126 15.382 -2.095 1.00 0.00 N ATOM 0 H LYS A 14 5.733 14.234 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 14 4.902 16.837 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.518 17.138 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.573 17.024 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.313 14.848 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.511 14.424 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.308 16.440 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.708 14.742 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.098 15.296 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.631 16.888 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.478 15.568 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.704 15.906 -1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.188 14.363 -1.895 1.00 0.00 H new ATOM 221 N GLY A 15 6.439 16.823 -4.043 1.00 0.00 N ATOM 222 CA GLY A 15 6.887 16.650 -5.459 1.00 0.00 C ATOM 223 C GLY A 15 5.763 17.021 -6.433 1.00 0.00 C ATOM 224 O GLY A 15 4.608 17.073 -6.061 1.00 0.00 O ATOM 0 H GLY A 15 6.427 17.785 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.760 17.275 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.193 15.617 -5.625 1.00 0.00 H new ATOM 228 N GLU A 16 6.132 17.269 -7.663 1.00 0.00 N ATOM 229 CA GLU A 16 5.108 17.635 -8.672 1.00 0.00 C ATOM 230 C GLU A 16 4.401 16.388 -9.191 1.00 0.00 C ATOM 231 O GLU A 16 5.029 15.491 -9.716 1.00 0.00 O ATOM 232 CB GLU A 16 5.814 18.333 -9.847 1.00 0.00 C ATOM 233 CG GLU A 16 7.296 17.953 -9.839 1.00 0.00 C ATOM 234 CD GLU A 16 7.961 18.483 -11.112 1.00 0.00 C ATOM 235 OE1 GLU A 16 7.228 19.035 -11.917 1.00 0.00 O ATOM 236 OE2 GLU A 16 9.164 18.306 -11.209 1.00 0.00 O ATOM 0 H GLU A 16 7.092 17.233 -8.006 1.00 0.00 H new ATOM 0 HA GLU A 16 4.369 18.293 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.355 18.037 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.703 19.414 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.785 18.370 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.405 16.870 -9.782 1.00 0.00 H new ATOM 243 N PHE A 17 3.105 16.353 -9.036 1.00 0.00 N ATOM 244 CA PHE A 17 2.349 15.170 -9.516 1.00 0.00 C ATOM 245 C PHE A 17 2.222 15.189 -11.046 1.00 0.00 C ATOM 246 O PHE A 17 2.238 16.240 -11.655 1.00 0.00 O ATOM 247 CB PHE A 17 0.947 15.217 -8.892 1.00 0.00 C ATOM 248 CG PHE A 17 1.056 14.841 -7.414 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.321 13.534 -7.040 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.916 15.804 -6.429 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.442 13.198 -5.708 1.00 0.00 C ATOM 252 CE2 PHE A 17 1.038 15.464 -5.098 1.00 0.00 C ATOM 253 CZ PHE A 17 1.302 14.162 -4.740 1.00 0.00 C ATOM 0 H PHE A 17 2.545 17.087 -8.602 1.00 0.00 H new ATOM 0 HA PHE A 17 2.876 14.260 -9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.519 16.214 -8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.280 14.528 -9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.434 12.772 -7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.710 16.828 -6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.647 12.176 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.926 16.221 -4.336 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.399 13.898 -3.697 1.00 0.00 H new ATOM 263 N PRO A 18 2.092 14.010 -11.645 1.00 0.00 N ATOM 264 CA PRO A 18 2.095 12.724 -10.926 1.00 0.00 C ATOM 265 C PRO A 18 3.480 12.375 -10.384 1.00 0.00 C ATOM 266 O PRO A 18 4.480 12.871 -10.864 1.00 0.00 O ATOM 267 CB PRO A 18 1.690 11.681 -11.992 1.00 0.00 C ATOM 268 CG PRO A 18 1.590 12.427 -13.359 1.00 0.00 C ATOM 269 CD PRO A 18 1.896 13.911 -13.094 1.00 0.00 C ATOM 0 HA PRO A 18 1.425 12.756 -10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.427 10.880 -12.045 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.736 11.220 -11.735 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.297 12.011 -14.076 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.595 12.311 -13.788 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.786 14.232 -13.635 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.075 14.547 -13.425 1.00 0.00 H new ATOM 277 N LYS A 19 3.503 11.520 -9.387 1.00 0.00 N ATOM 278 CA LYS A 19 4.808 11.118 -8.788 1.00 0.00 C ATOM 279 C LYS A 19 4.857 9.621 -8.525 1.00 0.00 C ATOM 280 O LYS A 19 3.844 8.994 -8.294 1.00 0.00 O ATOM 281 CB LYS A 19 4.972 11.855 -7.454 1.00 0.00 C ATOM 282 CG LYS A 19 6.366 11.569 -6.898 1.00 0.00 C ATOM 283 CD LYS A 19 6.830 12.768 -6.073 1.00 0.00 C ATOM 284 CE LYS A 19 7.585 12.267 -4.842 1.00 0.00 C ATOM 285 NZ LYS A 19 8.564 13.288 -4.381 1.00 0.00 N ATOM 0 H LYS A 19 2.679 11.089 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 19 5.607 11.372 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.836 12.927 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.210 11.528 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.348 10.672 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.065 11.380 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.474 13.411 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.973 13.370 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.880 12.043 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.104 11.338 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.116 12.906 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.206 13.532 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.056 14.141 -4.071 1.00 0.00 H new ATOM 299 N ASN A 20 6.042 9.076 -8.569 1.00 0.00 N ATOM 300 CA ASN A 20 6.193 7.621 -8.326 1.00 0.00 C ATOM 301 C ASN A 20 6.052 7.282 -6.844 1.00 0.00 C ATOM 302 O ASN A 20 6.562 7.983 -5.993 1.00 0.00 O ATOM 303 CB ASN A 20 7.584 7.202 -8.788 1.00 0.00 C ATOM 304 CG ASN A 20 7.787 7.634 -10.242 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.610 8.887 -10.561 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 8.107 6.835 -11.099 1.00 0.00 N flip ATOM 0 H ASN A 20 6.909 9.578 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 20 5.412 7.094 -8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.343 7.657 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.699 6.122 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.247 5.854 -10.855 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.236 7.145 -12.062 1.00 0.00 H new ATOM 313 N LEU A 21 5.356 6.199 -6.570 1.00 0.00 N ATOM 314 CA LEU A 21 5.158 5.776 -5.151 1.00 0.00 C ATOM 315 C LEU A 21 5.986 4.539 -4.840 1.00 0.00 C ATOM 316 O LEU A 21 6.903 4.585 -4.044 1.00 0.00 O ATOM 317 CB LEU A 21 3.673 5.424 -4.944 1.00 0.00 C ATOM 318 CG LEU A 21 2.869 6.708 -4.731 1.00 0.00 C ATOM 319 CD1 LEU A 21 3.123 7.232 -3.315 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.316 7.758 -5.744 1.00 0.00 C ATOM 0 H LEU A 21 4.920 5.596 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 21 5.466 6.590 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.292 4.883 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.561 4.765 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 21 1.807 6.502 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.552 8.147 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.812 6.481 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.185 7.441 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.745 8.674 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.377 7.966 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.146 7.385 -6.754 1.00 0.00 H new ATOM 332 N VAL A 22 5.647 3.449 -5.476 1.00 0.00 N ATOM 333 CA VAL A 22 6.405 2.195 -5.231 1.00 0.00 C ATOM 334 C VAL A 22 6.292 1.251 -6.422 1.00 0.00 C ATOM 335 O VAL A 22 5.386 1.363 -7.224 1.00 0.00 O ATOM 336 CB VAL A 22 5.811 1.505 -3.993 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.417 0.974 -4.333 1.00 0.00 C ATOM 338 CG2 VAL A 22 6.709 0.335 -3.586 1.00 0.00 C ATOM 0 H VAL A 22 4.884 3.376 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 22 7.457 2.438 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 22 5.744 2.219 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.991 0.483 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.775 1.802 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.490 0.257 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.290 -0.157 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.770 -0.379 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.707 0.706 -3.353 1.00 0.00 H new ATOM 348 N GLN A 23 7.218 0.335 -6.516 1.00 0.00 N ATOM 349 CA GLN A 23 7.181 -0.627 -7.647 1.00 0.00 C ATOM 350 C GLN A 23 6.188 -1.750 -7.376 1.00 0.00 C ATOM 351 O GLN A 23 6.004 -2.160 -6.248 1.00 0.00 O ATOM 352 CB GLN A 23 8.585 -1.235 -7.806 1.00 0.00 C ATOM 353 CG GLN A 23 9.509 -0.212 -8.474 1.00 0.00 C ATOM 354 CD GLN A 23 10.484 -0.943 -9.399 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.587 -1.277 -9.017 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.116 -1.208 -10.624 1.00 0.00 N ATOM 0 H GLN A 23 7.992 0.214 -5.862 1.00 0.00 H new ATOM 0 HA GLN A 23 6.872 -0.103 -8.551 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.983 -1.519 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.534 -2.143 -8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.922 0.510 -9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.058 0.349 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.190 -0.930 -10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.754 -1.693 -11.255 1.00 0.00 H new ATOM 365 N ILE A 24 5.564 -2.229 -8.422 1.00 0.00 N ATOM 366 CA ILE A 24 4.577 -3.325 -8.249 1.00 0.00 C ATOM 367 C ILE A 24 5.212 -4.689 -8.520 1.00 0.00 C ATOM 368 O ILE A 24 6.292 -4.780 -9.070 1.00 0.00 O ATOM 369 CB ILE A 24 3.434 -3.098 -9.255 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.358 -2.217 -8.623 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.810 -4.462 -9.645 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.444 -3.068 -7.734 1.00 0.00 C ATOM 0 H ILE A 24 5.697 -1.908 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 24 4.211 -3.318 -7.222 1.00 0.00 H new ATOM 0 HB ILE A 24 3.831 -2.607 -10.143 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.823 -1.428 -8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.771 -1.729 -9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.001 -4.302 -10.357 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.573 -5.095 -10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.417 -4.951 -8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.679 -2.434 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.967 -3.841 -8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.035 -3.535 -6.946 1.00 0.00 H new ATOM 384 N LYS A 25 4.514 -5.720 -8.119 1.00 0.00 N ATOM 385 CA LYS A 25 5.021 -7.096 -8.329 1.00 0.00 C ATOM 386 C LYS A 25 3.891 -7.993 -8.827 1.00 0.00 C ATOM 387 O LYS A 25 2.797 -7.963 -8.300 1.00 0.00 O ATOM 388 CB LYS A 25 5.527 -7.645 -6.982 1.00 0.00 C ATOM 389 CG LYS A 25 6.927 -7.087 -6.689 1.00 0.00 C ATOM 390 CD LYS A 25 6.808 -5.861 -5.775 1.00 0.00 C ATOM 391 CE LYS A 25 8.182 -5.540 -5.180 1.00 0.00 C ATOM 392 NZ LYS A 25 8.871 -6.787 -4.741 1.00 0.00 N ATOM 0 H LYS A 25 3.609 -5.661 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 25 5.825 -7.080 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.839 -7.366 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.558 -8.734 -7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.542 -7.851 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.423 -6.813 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.435 -5.007 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.090 -6.055 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.792 -5.023 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.068 -4.864 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.581 -6.555 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.173 -7.447 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.340 -7.230 -5.557 1.00 0.00 H new ATOM 406 N SER A 26 4.178 -8.776 -9.832 1.00 0.00 N ATOM 407 CA SER A 26 3.133 -9.682 -10.381 1.00 0.00 C ATOM 408 C SER A 26 3.291 -11.087 -9.829 1.00 0.00 C ATOM 409 O SER A 26 3.388 -11.281 -8.635 1.00 0.00 O ATOM 410 CB SER A 26 3.298 -9.737 -11.909 1.00 0.00 C ATOM 411 OG SER A 26 2.044 -10.211 -12.377 1.00 0.00 O ATOM 0 H SER A 26 5.086 -8.826 -10.293 1.00 0.00 H new ATOM 0 HA SER A 26 2.150 -9.303 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.531 -8.755 -12.320 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.110 -10.405 -12.198 1.00 0.00 H new ATOM 0 HG SER A 26 2.148 -10.575 -13.281 1.00 0.00 H new ATOM 417 N ASN A 27 3.307 -12.043 -10.709 1.00 0.00 N ATOM 418 CA ASN A 27 3.456 -13.445 -10.261 1.00 0.00 C ATOM 419 C ASN A 27 4.004 -14.300 -11.391 1.00 0.00 C ATOM 420 O ASN A 27 5.009 -14.962 -11.242 1.00 0.00 O ATOM 421 CB ASN A 27 2.069 -13.976 -9.858 1.00 0.00 C ATOM 422 CG ASN A 27 2.218 -14.978 -8.708 1.00 0.00 C ATOM 423 OD1 ASN A 27 3.178 -15.720 -8.637 1.00 0.00 O ATOM 424 ND2 ASN A 27 1.291 -15.031 -7.789 1.00 0.00 N ATOM 0 H ASN A 27 3.223 -11.912 -11.717 1.00 0.00 H new ATOM 0 HA ASN A 27 4.145 -13.488 -9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.426 -13.150 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.589 -14.455 -10.712 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.375 -15.693 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.483 -14.411 -7.843 1.00 0.00 H new ATOM 431 N ARG A 28 3.338 -14.261 -12.511 1.00 0.00 N ATOM 432 CA ARG A 28 3.811 -15.068 -13.662 1.00 0.00 C ATOM 433 C ARG A 28 5.179 -14.583 -14.117 1.00 0.00 C ATOM 434 O ARG A 28 5.777 -15.135 -15.025 1.00 0.00 O ATOM 435 CB ARG A 28 2.814 -14.901 -14.820 1.00 0.00 C ATOM 436 CG ARG A 28 1.483 -15.549 -14.433 1.00 0.00 C ATOM 437 CD ARG A 28 1.539 -17.043 -14.758 1.00 0.00 C ATOM 438 NE ARG A 28 0.708 -17.306 -15.966 1.00 0.00 N ATOM 439 CZ ARG A 28 0.427 -18.537 -16.295 1.00 0.00 C ATOM 440 NH1 ARG A 28 0.887 -19.511 -15.556 1.00 0.00 N ATOM 441 NH2 ARG A 28 -0.302 -18.755 -17.354 1.00 0.00 N ATOM 0 H ARG A 28 2.495 -13.710 -12.676 1.00 0.00 H new ATOM 0 HA ARG A 28 3.884 -16.114 -13.364 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.667 -13.844 -15.040 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.208 -15.363 -15.725 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.289 -15.403 -13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.664 -15.077 -14.975 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.569 -17.352 -14.935 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.172 -17.626 -13.914 1.00 0.00 H new ATOM 0 HE ARG A 28 0.362 -16.531 -16.531 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.457 -19.304 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.677 -20.479 -15.799 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.642 -17.970 -17.909 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.532 -19.711 -17.627 1.00 0.00 H new ATOM 455 N ASP A 29 5.659 -13.564 -13.463 1.00 0.00 N ATOM 456 CA ASP A 29 6.985 -13.020 -13.832 1.00 0.00 C ATOM 457 C ASP A 29 8.074 -14.062 -13.616 1.00 0.00 C ATOM 458 O ASP A 29 9.247 -13.750 -13.631 1.00 0.00 O ATOM 459 CB ASP A 29 7.269 -11.803 -12.938 1.00 0.00 C ATOM 460 CG ASP A 29 7.537 -12.276 -11.508 1.00 0.00 C ATOM 461 OD1 ASP A 29 6.680 -12.982 -11.002 1.00 0.00 O ATOM 462 OD2 ASP A 29 8.582 -11.901 -11.000 1.00 0.00 O ATOM 0 H ASP A 29 5.189 -13.089 -12.692 1.00 0.00 H new ATOM 0 HA ASP A 29 6.981 -12.739 -14.885 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.129 -11.251 -13.318 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.420 -11.120 -12.954 1.00 0.00 H new ATOM 467 N LYS A 30 7.663 -15.286 -13.420 1.00 0.00 N ATOM 468 CA LYS A 30 8.654 -16.362 -13.201 1.00 0.00 C ATOM 469 C LYS A 30 8.993 -17.060 -14.512 1.00 0.00 C ATOM 470 O LYS A 30 9.861 -17.909 -14.548 1.00 0.00 O ATOM 471 CB LYS A 30 8.040 -17.399 -12.243 1.00 0.00 C ATOM 472 CG LYS A 30 7.715 -16.725 -10.910 1.00 0.00 C ATOM 473 CD LYS A 30 6.802 -17.644 -10.095 1.00 0.00 C ATOM 474 CE LYS A 30 6.300 -16.888 -8.864 1.00 0.00 C ATOM 475 NZ LYS A 30 7.363 -16.825 -7.821 1.00 0.00 N ATOM 0 H LYS A 30 6.686 -15.580 -13.403 1.00 0.00 H new ATOM 0 HA LYS A 30 9.563 -15.928 -12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.136 -17.823 -12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.736 -18.223 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.633 -16.521 -10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.226 -15.766 -11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.960 -17.973 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.344 -18.539 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.000 -15.879 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.416 -17.383 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.006 -16.308 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.630 -17.790 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.196 -16.333 -8.203 1.00 0.00 H new ATOM 489 N GLU A 31 8.296 -16.684 -15.570 1.00 0.00 N ATOM 490 CA GLU A 31 8.566 -17.322 -16.896 1.00 0.00 C ATOM 491 C GLU A 31 9.044 -16.309 -17.939 1.00 0.00 C ATOM 492 O GLU A 31 9.890 -16.621 -18.754 1.00 0.00 O ATOM 493 CB GLU A 31 7.258 -17.955 -17.397 1.00 0.00 C ATOM 494 CG GLU A 31 6.116 -16.952 -17.237 1.00 0.00 C ATOM 495 CD GLU A 31 5.117 -17.137 -18.382 1.00 0.00 C ATOM 496 OE1 GLU A 31 5.586 -17.183 -19.508 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.941 -17.222 -18.066 1.00 0.00 O ATOM 0 H GLU A 31 7.564 -15.973 -15.567 1.00 0.00 H new ATOM 0 HA GLU A 31 9.354 -18.063 -16.763 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.358 -18.245 -18.443 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.041 -18.863 -16.834 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.619 -17.099 -16.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.507 -15.935 -17.241 1.00 0.00 H new ATOM 504 N THR A 32 8.505 -15.117 -17.903 1.00 0.00 N ATOM 505 CA THR A 32 8.942 -14.105 -18.906 1.00 0.00 C ATOM 506 C THR A 32 8.634 -12.684 -18.448 1.00 0.00 C ATOM 507 O THR A 32 7.709 -12.460 -17.693 1.00 0.00 O ATOM 508 CB THR A 32 8.166 -14.371 -20.205 1.00 0.00 C ATOM 509 OG1 THR A 32 8.955 -13.814 -21.235 1.00 0.00 O ATOM 510 CG2 THR A 32 6.856 -13.562 -20.240 1.00 0.00 C ATOM 0 H THR A 32 7.797 -14.807 -17.238 1.00 0.00 H new ATOM 0 HA THR A 32 10.020 -14.191 -19.044 1.00 0.00 H new ATOM 0 HB THR A 32 7.958 -15.437 -20.296 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.512 -13.953 -22.098 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.326 -13.768 -21.170 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.230 -13.847 -19.394 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.084 -12.498 -20.181 1.00 0.00 H new ATOM 518 N LYS A 33 9.420 -11.739 -18.915 1.00 0.00 N ATOM 519 CA LYS A 33 9.170 -10.337 -18.510 1.00 0.00 C ATOM 520 C LYS A 33 7.714 -10.010 -18.754 1.00 0.00 C ATOM 521 O LYS A 33 7.264 -9.976 -19.885 1.00 0.00 O ATOM 522 CB LYS A 33 10.043 -9.405 -19.363 1.00 0.00 C ATOM 523 CG LYS A 33 9.765 -7.953 -18.958 1.00 0.00 C ATOM 524 CD LYS A 33 11.061 -7.145 -19.057 1.00 0.00 C ATOM 525 CE LYS A 33 11.460 -7.012 -20.529 1.00 0.00 C ATOM 526 NZ LYS A 33 12.665 -7.837 -20.819 1.00 0.00 N ATOM 0 H LYS A 33 10.207 -11.884 -19.547 1.00 0.00 H new ATOM 0 HA LYS A 33 9.410 -10.205 -17.455 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.097 -9.641 -19.219 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.825 -9.549 -20.421 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.003 -7.522 -19.607 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.376 -7.915 -17.941 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.923 -6.158 -18.615 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.855 -7.638 -18.496 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.634 -7.328 -21.166 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.662 -5.967 -20.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.003 -7.632 -21.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.414 -7.611 -20.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.421 -8.845 -20.745 1.00 0.00 H new ATOM 540 N VAL A 34 7.002 -9.776 -17.694 1.00 0.00 N ATOM 541 CA VAL A 34 5.566 -9.452 -17.831 1.00 0.00 C ATOM 542 C VAL A 34 5.288 -7.957 -17.702 1.00 0.00 C ATOM 543 O VAL A 34 5.965 -7.248 -16.986 1.00 0.00 O ATOM 544 CB VAL A 34 4.829 -10.190 -16.707 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.395 -9.747 -15.362 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.348 -9.849 -16.761 1.00 0.00 C ATOM 0 H VAL A 34 7.355 -9.796 -16.737 1.00 0.00 H new ATOM 0 HA VAL A 34 5.230 -9.756 -18.822 1.00 0.00 H new ATOM 0 HB VAL A 34 4.961 -11.265 -16.829 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.875 -10.269 -14.559 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.458 -9.983 -15.319 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.257 -8.672 -15.246 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.824 -10.374 -15.962 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.217 -8.774 -16.636 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.939 -10.154 -17.724 1.00 0.00 H new ATOM 556 N PHE A 35 4.280 -7.516 -18.414 1.00 0.00 N ATOM 557 CA PHE A 35 3.899 -6.082 -18.377 1.00 0.00 C ATOM 558 C PHE A 35 2.730 -5.907 -17.430 1.00 0.00 C ATOM 559 O PHE A 35 1.935 -6.823 -17.255 1.00 0.00 O ATOM 560 CB PHE A 35 3.475 -5.643 -19.789 1.00 0.00 C ATOM 561 CG PHE A 35 4.719 -5.311 -20.630 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.972 -5.796 -20.278 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.607 -4.499 -21.745 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.082 -5.469 -21.027 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.722 -4.177 -22.491 1.00 0.00 C ATOM 566 CZ PHE A 35 6.957 -4.661 -22.130 1.00 0.00 C ATOM 0 H PHE A 35 3.704 -8.098 -19.022 1.00 0.00 H new ATOM 0 HA PHE A 35 4.742 -5.479 -18.038 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.902 -6.436 -20.269 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.823 -4.771 -19.728 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.077 -6.433 -19.412 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.640 -4.115 -22.033 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.053 -5.849 -20.745 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.624 -3.543 -23.360 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.829 -4.406 -22.714 1.00 0.00 H new ATOM 576 N TYR A 36 2.620 -4.732 -16.853 1.00 0.00 N ATOM 577 CA TYR A 36 1.499 -4.490 -15.901 1.00 0.00 C ATOM 578 C TYR A 36 0.325 -3.714 -16.488 1.00 0.00 C ATOM 579 O TYR A 36 0.416 -3.081 -17.522 1.00 0.00 O ATOM 580 CB TYR A 36 2.053 -3.679 -14.729 1.00 0.00 C ATOM 581 CG TYR A 36 2.818 -4.607 -13.798 1.00 0.00 C ATOM 582 CD1 TYR A 36 2.148 -5.525 -13.020 1.00 0.00 C ATOM 583 CD2 TYR A 36 4.192 -4.537 -13.717 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.841 -6.360 -12.175 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.885 -5.371 -12.873 1.00 0.00 C ATOM 586 CZ TYR A 36 4.215 -6.289 -12.094 1.00 0.00 C ATOM 587 OH TYR A 36 4.904 -7.102 -11.225 1.00 0.00 O ATOM 0 H TYR A 36 3.250 -3.944 -17.000 1.00 0.00 H new ATOM 0 HA TYR A 36 1.115 -5.469 -15.614 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.709 -2.889 -15.095 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.239 -3.193 -14.190 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.071 -5.590 -13.074 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.728 -3.821 -14.322 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.305 -7.076 -11.571 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.962 -5.307 -12.820 1.00 0.00 H new ATOM 0 HH TYR A 36 5.614 -7.572 -11.710 1.00 0.00 H new ATOM 597 N SER A 37 -0.763 -3.806 -15.768 1.00 0.00 N ATOM 598 CA SER A 37 -2.022 -3.128 -16.151 1.00 0.00 C ATOM 599 C SER A 37 -2.891 -3.045 -14.897 1.00 0.00 C ATOM 600 O SER A 37 -2.897 -3.970 -14.109 1.00 0.00 O ATOM 601 CB SER A 37 -2.734 -3.966 -17.226 1.00 0.00 C ATOM 602 OG SER A 37 -4.103 -3.610 -17.095 1.00 0.00 O ATOM 0 H SER A 37 -0.825 -4.343 -14.903 1.00 0.00 H new ATOM 0 HA SER A 37 -1.832 -2.132 -16.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.357 -3.738 -18.223 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.583 -5.033 -17.064 1.00 0.00 H new ATOM 0 HG SER A 37 -4.634 -4.105 -17.754 1.00 0.00 H new ATOM 608 N ILE A 38 -3.607 -1.955 -14.719 1.00 0.00 N ATOM 609 CA ILE A 38 -4.465 -1.847 -13.491 1.00 0.00 C ATOM 610 C ILE A 38 -5.855 -1.292 -13.777 1.00 0.00 C ATOM 611 O ILE A 38 -6.054 -0.517 -14.692 1.00 0.00 O ATOM 612 CB ILE A 38 -3.749 -0.907 -12.514 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.692 -0.512 -11.361 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.287 0.353 -13.287 1.00 0.00 C ATOM 615 CD1 ILE A 38 -5.383 0.837 -11.639 1.00 0.00 C ATOM 0 H ILE A 38 -3.635 -1.156 -15.352 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.604 -2.848 -13.084 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.884 -1.413 -12.084 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.446 -1.287 -11.223 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.126 -0.448 -10.431 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.776 1.032 -12.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.606 0.060 -14.086 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.154 0.855 -13.716 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.041 1.087 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.629 1.616 -11.752 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.969 0.764 -12.555 1.00 0.00 H new ATOM 627 N THR A 39 -6.796 -1.716 -12.965 1.00 0.00 N ATOM 628 CA THR A 39 -8.197 -1.257 -13.126 1.00 0.00 C ATOM 629 C THR A 39 -8.906 -1.280 -11.768 1.00 0.00 C ATOM 630 O THR A 39 -8.618 -2.121 -10.932 1.00 0.00 O ATOM 631 CB THR A 39 -8.923 -2.214 -14.084 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.286 -1.847 -14.020 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.887 -3.653 -13.550 1.00 0.00 C ATOM 0 H THR A 39 -6.643 -2.366 -12.194 1.00 0.00 H new ATOM 0 HA THR A 39 -8.207 -0.242 -13.524 1.00 0.00 H new ATOM 0 HB THR A 39 -8.467 -2.161 -15.073 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.467 -1.144 -14.678 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.407 -4.312 -14.245 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.851 -3.978 -13.448 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.377 -3.692 -12.577 1.00 0.00 H new ATOM 641 N GLY A 40 -9.813 -0.350 -11.561 1.00 0.00 N ATOM 642 CA GLY A 40 -10.544 -0.317 -10.252 1.00 0.00 C ATOM 643 C GLY A 40 -10.737 1.123 -9.767 1.00 0.00 C ATOM 644 O GLY A 40 -10.381 2.071 -10.449 1.00 0.00 O ATOM 0 H GLY A 40 -10.075 0.375 -12.229 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.515 -0.801 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.987 -0.884 -9.506 1.00 0.00 H new ATOM 648 N GLN A 41 -11.292 1.257 -8.584 1.00 0.00 N ATOM 649 CA GLN A 41 -11.520 2.618 -8.034 1.00 0.00 C ATOM 650 C GLN A 41 -10.209 3.375 -7.926 1.00 0.00 C ATOM 651 O GLN A 41 -9.360 3.037 -7.124 1.00 0.00 O ATOM 652 CB GLN A 41 -12.140 2.508 -6.621 1.00 0.00 C ATOM 653 CG GLN A 41 -12.677 1.093 -6.382 1.00 0.00 C ATOM 654 CD GLN A 41 -11.563 0.227 -5.786 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.001 0.541 -4.752 1.00 0.00 O ATOM 656 NE2 GLN A 41 -11.214 -0.867 -6.404 1.00 0.00 N ATOM 0 H GLN A 41 -11.592 0.487 -7.986 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.193 3.152 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.390 2.751 -5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.947 3.233 -6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.531 1.124 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.028 0.661 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.681 -1.135 -7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.474 -1.455 -6.021 1.00 0.00 H new ATOM 665 N GLY A 42 -10.072 4.390 -8.738 1.00 0.00 N ATOM 666 CA GLY A 42 -8.820 5.202 -8.712 1.00 0.00 C ATOM 667 C GLY A 42 -8.217 5.266 -10.112 1.00 0.00 C ATOM 668 O GLY A 42 -7.388 6.110 -10.396 1.00 0.00 O ATOM 0 H GLY A 42 -10.771 4.691 -9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.036 6.208 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.104 4.762 -8.018 1.00 0.00 H new ATOM 672 N ALA A 43 -8.646 4.360 -10.954 1.00 0.00 N ATOM 673 CA ALA A 43 -8.126 4.332 -12.345 1.00 0.00 C ATOM 674 C ALA A 43 -9.264 4.524 -13.327 1.00 0.00 C ATOM 675 O ALA A 43 -9.360 5.547 -13.981 1.00 0.00 O ATOM 676 CB ALA A 43 -7.489 2.957 -12.596 1.00 0.00 C ATOM 0 H ALA A 43 -9.334 3.640 -10.733 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.395 5.130 -12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.101 2.916 -13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.674 2.799 -11.890 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.240 2.178 -12.463 1.00 0.00 H new ATOM 682 N ASP A 44 -10.112 3.535 -13.401 1.00 0.00 N ATOM 683 CA ASP A 44 -11.270 3.608 -14.326 1.00 0.00 C ATOM 684 C ASP A 44 -12.571 3.775 -13.555 1.00 0.00 C ATOM 685 O ASP A 44 -13.540 4.290 -14.077 1.00 0.00 O ATOM 686 CB ASP A 44 -11.322 2.298 -15.120 1.00 0.00 C ATOM 687 CG ASP A 44 -10.947 1.138 -14.197 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.557 1.060 -13.143 1.00 0.00 O ATOM 689 OD2 ASP A 44 -10.068 0.397 -14.597 1.00 0.00 O ATOM 0 H ASP A 44 -10.049 2.675 -12.855 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.153 4.466 -14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.321 2.145 -15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.635 2.343 -15.965 1.00 0.00 H new ATOM 694 N LYS A 45 -12.568 3.337 -12.320 1.00 0.00 N ATOM 695 CA LYS A 45 -13.796 3.460 -11.493 1.00 0.00 C ATOM 696 C LYS A 45 -13.689 4.669 -10.554 1.00 0.00 C ATOM 697 O LYS A 45 -12.607 5.041 -10.140 1.00 0.00 O ATOM 698 CB LYS A 45 -13.933 2.186 -10.647 1.00 0.00 C ATOM 699 CG LYS A 45 -14.938 1.249 -11.320 1.00 0.00 C ATOM 700 CD LYS A 45 -14.710 -0.181 -10.822 1.00 0.00 C ATOM 701 CE LYS A 45 -15.355 -0.343 -9.442 1.00 0.00 C ATOM 702 NZ LYS A 45 -15.582 -1.786 -9.142 1.00 0.00 N ATOM 0 H LYS A 45 -11.770 2.903 -11.856 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.661 3.594 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.966 1.693 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.267 2.436 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.956 1.567 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.823 1.292 -12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.140 -0.896 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.642 -0.393 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.713 0.097 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.302 0.195 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.020 -1.881 -8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.212 -2.195 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.672 -2.290 -9.152 1.00 0.00 H new ATOM 716 N PRO A 46 -14.825 5.260 -10.230 1.00 0.00 N ATOM 717 CA PRO A 46 -14.853 6.421 -9.344 1.00 0.00 C ATOM 718 C PRO A 46 -14.179 6.114 -7.986 1.00 0.00 C ATOM 719 O PRO A 46 -14.514 5.141 -7.342 1.00 0.00 O ATOM 720 CB PRO A 46 -16.358 6.700 -9.114 1.00 0.00 C ATOM 721 CG PRO A 46 -17.160 5.667 -9.960 1.00 0.00 C ATOM 722 CD PRO A 46 -16.136 4.803 -10.712 1.00 0.00 C ATOM 0 HA PRO A 46 -14.316 7.264 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.608 6.607 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.609 7.718 -9.413 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.788 5.049 -9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.823 6.175 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.285 3.743 -10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.227 4.932 -11.790 1.00 0.00 H new ATOM 730 N PRO A 47 -13.227 6.957 -7.570 1.00 0.00 N ATOM 731 CA PRO A 47 -12.746 8.112 -8.350 1.00 0.00 C ATOM 732 C PRO A 47 -11.997 7.669 -9.609 1.00 0.00 C ATOM 733 O PRO A 47 -10.991 6.994 -9.527 1.00 0.00 O ATOM 734 CB PRO A 47 -11.758 8.837 -7.410 1.00 0.00 C ATOM 735 CG PRO A 47 -11.659 7.999 -6.102 1.00 0.00 C ATOM 736 CD PRO A 47 -12.601 6.795 -6.255 1.00 0.00 C ATOM 0 HA PRO A 47 -13.577 8.737 -8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.779 8.931 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.106 9.847 -7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.634 7.666 -5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.942 8.601 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.051 5.856 -6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.349 6.778 -5.463 1.00 0.00 H new ATOM 744 N VAL A 48 -12.502 8.053 -10.748 1.00 0.00 N ATOM 745 CA VAL A 48 -11.830 7.661 -12.009 1.00 0.00 C ATOM 746 C VAL A 48 -10.652 8.583 -12.307 1.00 0.00 C ATOM 747 O VAL A 48 -10.833 9.759 -12.560 1.00 0.00 O ATOM 748 CB VAL A 48 -12.853 7.764 -13.156 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.781 8.953 -12.899 1.00 0.00 C ATOM 750 CG2 VAL A 48 -12.114 7.977 -14.480 1.00 0.00 C ATOM 0 H VAL A 48 -13.345 8.617 -10.856 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.454 6.642 -11.912 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.437 6.845 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -14.507 9.030 -13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -14.305 8.808 -11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.193 9.870 -12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.837 8.050 -15.293 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.532 8.897 -14.428 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.446 7.135 -14.663 1.00 0.00 H new ATOM 760 N GLY A 49 -9.465 8.034 -12.266 1.00 0.00 N ATOM 761 CA GLY A 49 -8.257 8.867 -12.546 1.00 0.00 C ATOM 762 C GLY A 49 -7.567 9.301 -11.246 1.00 0.00 C ATOM 763 O GLY A 49 -7.802 10.385 -10.748 1.00 0.00 O ATOM 0 H GLY A 49 -9.281 7.054 -12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.557 8.301 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.545 9.748 -13.119 1.00 0.00 H new ATOM 767 N VAL A 50 -6.727 8.445 -10.728 1.00 0.00 N ATOM 768 CA VAL A 50 -6.013 8.788 -9.467 1.00 0.00 C ATOM 769 C VAL A 50 -4.667 8.067 -9.401 1.00 0.00 C ATOM 770 O VAL A 50 -3.668 8.647 -8.982 1.00 0.00 O ATOM 771 CB VAL A 50 -6.880 8.351 -8.274 1.00 0.00 C ATOM 772 CG1 VAL A 50 -6.071 8.481 -6.980 1.00 0.00 C ATOM 773 CG2 VAL A 50 -8.106 9.259 -8.191 1.00 0.00 C ATOM 0 H VAL A 50 -6.506 7.530 -11.121 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.836 9.863 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.191 7.315 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.685 8.171 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.187 7.846 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.764 9.518 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.727 8.956 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.785 10.292 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.682 9.178 -9.113 1.00 0.00 H new ATOM 783 N PHE A 51 -4.668 6.807 -9.819 1.00 0.00 N ATOM 784 CA PHE A 51 -3.401 6.008 -9.800 1.00 0.00 C ATOM 785 C PHE A 51 -2.987 5.594 -11.214 1.00 0.00 C ATOM 786 O PHE A 51 -3.816 5.408 -12.082 1.00 0.00 O ATOM 787 CB PHE A 51 -3.623 4.708 -8.995 1.00 0.00 C ATOM 788 CG PHE A 51 -4.035 5.026 -7.562 1.00 0.00 C ATOM 789 CD1 PHE A 51 -5.332 5.396 -7.272 1.00 0.00 C ATOM 790 CD2 PHE A 51 -3.122 4.905 -6.527 1.00 0.00 C ATOM 791 CE1 PHE A 51 -5.714 5.636 -5.969 1.00 0.00 C ATOM 792 CE2 PHE A 51 -3.507 5.146 -5.226 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.802 5.512 -4.947 1.00 0.00 C ATOM 0 H PHE A 51 -5.488 6.311 -10.167 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.627 6.631 -9.352 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.393 4.104 -9.475 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.708 4.115 -8.993 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.052 5.498 -8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.102 4.620 -6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.732 5.922 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.790 5.047 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.103 5.702 -3.927 1.00 0.00 H new ATOM 803 N ILE A 52 -1.707 5.458 -11.404 1.00 0.00 N ATOM 804 CA ILE A 52 -1.181 5.054 -12.736 1.00 0.00 C ATOM 805 C ILE A 52 -0.028 4.079 -12.539 1.00 0.00 C ATOM 806 O ILE A 52 0.766 4.254 -11.645 1.00 0.00 O ATOM 807 CB ILE A 52 -0.672 6.297 -13.468 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.058 7.204 -12.491 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.879 7.059 -14.042 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.464 8.492 -13.208 1.00 0.00 C ATOM 0 H ILE A 52 -0.996 5.610 -10.688 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.969 4.579 -13.320 1.00 0.00 H new ATOM 0 HB ILE A 52 0.008 5.999 -14.266 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.584 7.434 -11.641 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.940 6.699 -12.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.531 7.949 -14.567 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.419 6.415 -14.736 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.543 7.354 -13.229 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.988 9.146 -12.512 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.121 8.251 -14.044 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.427 8.998 -13.580 1.00 0.00 H new ATOM 822 N ILE A 53 0.048 3.074 -13.380 1.00 0.00 N ATOM 823 CA ILE A 53 1.155 2.077 -13.240 1.00 0.00 C ATOM 824 C ILE A 53 2.049 2.021 -14.479 1.00 0.00 C ATOM 825 O ILE A 53 1.603 2.249 -15.587 1.00 0.00 O ATOM 826 CB ILE A 53 0.500 0.698 -13.006 1.00 0.00 C ATOM 827 CG1 ILE A 53 1.218 -0.030 -11.887 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.602 -0.155 -14.287 1.00 0.00 C ATOM 829 CD1 ILE A 53 0.342 -1.189 -11.400 1.00 0.00 C ATOM 0 H ILE A 53 -0.601 2.903 -14.148 1.00 0.00 H new ATOM 0 HA ILE A 53 1.796 2.368 -12.408 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.546 0.850 -12.741 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.178 -0.407 -12.239 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.426 0.655 -11.065 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.138 -1.126 -14.115 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.089 0.353 -15.104 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.651 -0.295 -14.548 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.852 -1.717 -10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.607 -0.798 -11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.157 -1.877 -12.225 1.00 0.00 H new ATOM 841 N GLU A 54 3.306 1.714 -14.258 1.00 0.00 N ATOM 842 CA GLU A 54 4.254 1.632 -15.397 1.00 0.00 C ATOM 843 C GLU A 54 4.202 0.245 -16.042 1.00 0.00 C ATOM 844 O GLU A 54 4.740 -0.715 -15.523 1.00 0.00 O ATOM 845 CB GLU A 54 5.671 1.895 -14.868 1.00 0.00 C ATOM 846 CG GLU A 54 6.381 2.864 -15.816 1.00 0.00 C ATOM 847 CD GLU A 54 6.596 2.178 -17.164 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.801 0.978 -17.131 1.00 0.00 O ATOM 849 OE2 GLU A 54 6.541 2.893 -18.150 1.00 0.00 O ATOM 0 H GLU A 54 3.707 1.519 -13.341 1.00 0.00 H new ATOM 0 HA GLU A 54 3.981 2.372 -16.149 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.626 2.315 -13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.227 0.960 -14.798 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.786 3.768 -15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.338 3.170 -15.393 1.00 0.00 H new ATOM 856 N ARG A 55 3.559 0.179 -17.170 1.00 0.00 N ATOM 857 CA ARG A 55 3.435 -1.112 -17.896 1.00 0.00 C ATOM 858 C ARG A 55 4.758 -1.887 -17.950 1.00 0.00 C ATOM 859 O ARG A 55 4.754 -3.106 -17.950 1.00 0.00 O ATOM 860 CB ARG A 55 2.993 -0.785 -19.337 1.00 0.00 C ATOM 861 CG ARG A 55 2.931 -2.069 -20.172 1.00 0.00 C ATOM 862 CD ARG A 55 2.691 -1.697 -21.639 1.00 0.00 C ATOM 863 NE ARG A 55 4.000 -1.656 -22.353 1.00 0.00 N ATOM 864 CZ ARG A 55 4.614 -0.514 -22.504 1.00 0.00 C ATOM 865 NH1 ARG A 55 3.918 0.541 -22.826 1.00 0.00 N ATOM 866 NH2 ARG A 55 5.907 -0.468 -22.329 1.00 0.00 N ATOM 0 H ARG A 55 3.109 0.973 -17.625 1.00 0.00 H new ATOM 0 HA ARG A 55 2.715 -1.740 -17.371 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.016 -0.302 -19.325 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.692 -0.081 -19.789 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.861 -2.628 -20.072 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.130 -2.715 -19.811 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.030 -2.425 -22.108 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.196 -0.728 -21.705 1.00 0.00 H new ATOM 0 HE ARG A 55 4.412 -2.514 -22.720 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.909 0.466 -22.956 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.383 1.441 -22.948 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.418 -1.315 -22.079 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.406 0.414 -22.442 1.00 0.00 H new ATOM 880 N GLU A 56 5.861 -1.177 -17.985 1.00 0.00 N ATOM 881 CA GLU A 56 7.184 -1.878 -18.044 1.00 0.00 C ATOM 882 C GLU A 56 7.843 -2.032 -16.673 1.00 0.00 C ATOM 883 O GLU A 56 8.003 -3.133 -16.183 1.00 0.00 O ATOM 884 CB GLU A 56 8.125 -1.053 -18.932 1.00 0.00 C ATOM 885 CG GLU A 56 7.513 -0.922 -20.327 1.00 0.00 C ATOM 886 CD GLU A 56 8.348 -1.731 -21.324 1.00 0.00 C ATOM 887 OE1 GLU A 56 8.729 -2.827 -20.946 1.00 0.00 O ATOM 888 OE2 GLU A 56 8.556 -1.208 -22.406 1.00 0.00 O ATOM 0 H GLU A 56 5.904 -0.158 -17.975 1.00 0.00 H new ATOM 0 HA GLU A 56 7.006 -2.878 -18.439 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.283 -0.066 -18.497 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.101 -1.534 -18.994 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.484 -1.282 -20.321 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.482 0.126 -20.626 1.00 0.00 H new ATOM 895 N THR A 57 8.216 -0.932 -16.078 1.00 0.00 N ATOM 896 CA THR A 57 8.868 -1.019 -14.744 1.00 0.00 C ATOM 897 C THR A 57 7.856 -1.241 -13.636 1.00 0.00 C ATOM 898 O THR A 57 8.192 -1.176 -12.470 1.00 0.00 O ATOM 899 CB THR A 57 9.602 0.296 -14.473 1.00 0.00 C ATOM 900 OG1 THR A 57 8.612 1.301 -14.550 1.00 0.00 O ATOM 901 CG2 THR A 57 10.578 0.627 -15.611 1.00 0.00 C ATOM 0 H THR A 57 8.099 0.010 -16.452 1.00 0.00 H new ATOM 0 HA THR A 57 9.555 -1.865 -14.756 1.00 0.00 H new ATOM 0 HB THR A 57 10.134 0.230 -13.524 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.039 2.183 -14.526 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.086 1.566 -15.393 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.315 -0.171 -15.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.027 0.721 -16.547 1.00 0.00 H new ATOM 909 N GLY A 58 6.639 -1.501 -14.003 1.00 0.00 N ATOM 910 CA GLY A 58 5.609 -1.729 -12.956 1.00 0.00 C ATOM 911 C GLY A 58 5.680 -0.626 -11.900 1.00 0.00 C ATOM 912 O GLY A 58 5.144 -0.764 -10.816 1.00 0.00 O ATOM 0 H GLY A 58 6.313 -1.566 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.617 -1.747 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.764 -2.701 -12.488 1.00 0.00 H new ATOM 916 N TRP A 59 6.352 0.446 -12.228 1.00 0.00 N ATOM 917 CA TRP A 59 6.459 1.555 -11.255 1.00 0.00 C ATOM 918 C TRP A 59 5.074 2.116 -10.964 1.00 0.00 C ATOM 919 O TRP A 59 4.436 2.676 -11.836 1.00 0.00 O ATOM 920 CB TRP A 59 7.332 2.668 -11.870 1.00 0.00 C ATOM 921 CG TRP A 59 8.641 2.791 -11.082 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.844 2.567 -11.588 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.717 3.141 -9.827 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.672 2.804 -10.554 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.027 3.179 -9.389 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.691 3.462 -8.966 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.306 3.538 -8.086 1.00 0.00 C ATOM 928 CZ3 TRP A 59 7.971 3.821 -7.665 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.277 3.859 -7.224 1.00 0.00 C ATOM 0 H TRP A 59 6.824 0.595 -13.120 1.00 0.00 H new ATOM 0 HA TRP A 59 6.904 1.191 -10.329 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.545 2.441 -12.915 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.795 3.616 -11.853 1.00 0.00 H new ATOM 0 HD1 TRP A 59 10.100 2.265 -12.593 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.686 2.715 -10.623 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.668 3.432 -9.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.329 3.568 -7.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.166 4.073 -6.990 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.495 4.140 -6.204 1.00 0.00 H new ATOM 940 N LEU A 60 4.621 1.945 -9.751 1.00 0.00 N ATOM 941 CA LEU A 60 3.276 2.467 -9.403 1.00 0.00 C ATOM 942 C LEU A 60 3.343 3.947 -9.076 1.00 0.00 C ATOM 943 O LEU A 60 3.865 4.332 -8.043 1.00 0.00 O ATOM 944 CB LEU A 60 2.763 1.712 -8.163 1.00 0.00 C ATOM 945 CG LEU A 60 1.225 1.627 -8.201 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.715 1.163 -6.840 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.631 3.003 -8.506 1.00 0.00 C ATOM 0 H LEU A 60 5.120 1.472 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 60 2.609 2.323 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.191 0.710 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.086 2.223 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 60 0.927 0.923 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.373 1.101 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.130 0.181 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.023 1.875 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.456 2.933 -8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.931 3.709 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.994 3.350 -9.473 1.00 0.00 H new ATOM 959 N LYS A 61 2.810 4.749 -9.965 1.00 0.00 N ATOM 960 CA LYS A 61 2.817 6.218 -9.745 1.00 0.00 C ATOM 961 C LYS A 61 1.405 6.707 -9.543 1.00 0.00 C ATOM 962 O LYS A 61 0.471 6.027 -9.893 1.00 0.00 O ATOM 963 CB LYS A 61 3.413 6.913 -10.994 1.00 0.00 C ATOM 964 CG LYS A 61 3.642 5.877 -12.095 1.00 0.00 C ATOM 965 CD LYS A 61 4.146 6.589 -13.353 1.00 0.00 C ATOM 966 CE LYS A 61 3.781 5.757 -14.585 1.00 0.00 C ATOM 967 NZ LYS A 61 3.943 6.569 -15.824 1.00 0.00 N ATOM 0 H LYS A 61 2.371 4.443 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 61 3.415 6.450 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.737 7.691 -11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.354 7.401 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.368 5.133 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.715 5.345 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.702 7.582 -13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.226 6.726 -13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.416 4.873 -14.636 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.752 5.406 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.692 5.992 -16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.319 7.400 -15.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.931 6.882 -15.907 1.00 0.00 H new ATOM 981 N VAL A 62 1.266 7.866 -8.964 1.00 0.00 N ATOM 982 CA VAL A 62 -0.108 8.402 -8.736 1.00 0.00 C ATOM 983 C VAL A 62 -0.207 9.869 -9.099 1.00 0.00 C ATOM 984 O VAL A 62 0.765 10.610 -9.034 1.00 0.00 O ATOM 985 CB VAL A 62 -0.481 8.228 -7.247 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.008 6.856 -6.763 1.00 0.00 C ATOM 987 CG2 VAL A 62 0.194 9.318 -6.411 1.00 0.00 C ATOM 0 H VAL A 62 2.031 8.459 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.794 7.846 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.563 8.307 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.270 6.731 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.490 6.076 -7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.073 6.782 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.073 9.190 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.276 9.244 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.139 10.298 -6.753 1.00 0.00 H new ATOM 997 N THR A 63 -1.387 10.261 -9.497 1.00 0.00 N ATOM 998 CA THR A 63 -1.602 11.666 -9.873 1.00 0.00 C ATOM 999 C THR A 63 -1.991 12.453 -8.643 1.00 0.00 C ATOM 1000 O THR A 63 -1.780 13.649 -8.573 1.00 0.00 O ATOM 1001 CB THR A 63 -2.746 11.728 -10.891 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.337 10.446 -10.865 1.00 0.00 O ATOM 1003 CG2 THR A 63 -2.199 11.873 -12.318 1.00 0.00 C ATOM 0 H THR A 63 -2.207 9.659 -9.574 1.00 0.00 H new ATOM 0 HA THR A 63 -0.692 12.084 -10.303 1.00 0.00 H new ATOM 0 HB THR A 63 -3.411 12.558 -10.651 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.084 10.417 -11.498 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.029 11.915 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.613 12.789 -12.392 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.566 11.018 -12.554 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.562 11.754 -7.688 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.983 12.423 -6.430 1.00 0.00 C ATOM 1013 C GLN A 64 -2.501 11.609 -5.212 1.00 0.00 C ATOM 1014 O GLN A 64 -2.611 10.399 -5.200 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.518 12.485 -6.406 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.996 13.482 -7.461 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.512 13.359 -7.621 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.250 13.347 -6.656 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -7.016 13.265 -8.820 1.00 0.00 N ATOM 0 H GLN A 64 -2.751 10.753 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.553 13.424 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.937 11.498 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.867 12.787 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.731 14.497 -7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.501 13.288 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.401 13.275 -9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.025 13.182 -8.944 1.00 0.00 H new ATOM 1028 N PRO A 65 -1.973 12.291 -4.202 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.487 11.611 -3.000 1.00 0.00 C ATOM 1030 C PRO A 65 -2.626 10.905 -2.287 1.00 0.00 C ATOM 1031 O PRO A 65 -3.759 10.962 -2.726 1.00 0.00 O ATOM 1032 CB PRO A 65 -0.942 12.740 -2.101 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.309 14.092 -2.784 1.00 0.00 C ATOM 1034 CD PRO A 65 -1.846 13.757 -4.184 1.00 0.00 C ATOM 0 HA PRO A 65 -0.736 10.858 -3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.378 12.682 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.138 12.650 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.059 14.627 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.435 14.740 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.807 14.239 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.165 14.104 -4.961 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.322 10.253 -1.195 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.401 9.553 -0.467 1.00 0.00 C ATOM 1044 C LEU A 66 -4.039 10.482 0.536 1.00 0.00 C ATOM 1045 O LEU A 66 -3.389 11.361 1.074 1.00 0.00 O ATOM 1046 CB LEU A 66 -2.807 8.347 0.274 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.682 7.175 -0.700 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -4.066 6.576 -0.946 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -2.116 7.681 -2.024 1.00 0.00 C ATOM 0 H LEU A 66 -1.390 10.180 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.156 9.222 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.830 8.601 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.443 8.071 1.115 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.020 6.417 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.982 5.740 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.483 6.224 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.721 7.336 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.025 6.849 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.785 8.434 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.134 8.122 -1.855 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.307 10.277 0.759 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.044 11.137 1.732 1.00 0.00 C ATOM 1063 C ASP A 67 -6.576 10.314 2.897 1.00 0.00 C ATOM 1064 O ASP A 67 -7.628 9.714 2.808 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.232 11.780 1.005 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.985 12.677 1.984 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.606 12.646 3.143 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -8.896 13.344 1.519 1.00 0.00 O ATOM 0 H ASP A 67 -5.867 9.552 0.311 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.362 11.892 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.882 12.363 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.896 11.009 0.613 1.00 0.00 H new ATOM 1073 N ARG A 68 -5.843 10.309 3.974 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.288 9.534 5.155 1.00 0.00 C ATOM 1075 C ARG A 68 -7.664 9.991 5.626 1.00 0.00 C ATOM 1076 O ARG A 68 -8.396 9.232 6.229 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.276 9.757 6.288 1.00 0.00 C ATOM 1078 CG ARG A 68 -4.065 8.852 6.060 1.00 0.00 C ATOM 1079 CD ARG A 68 -3.277 8.728 7.365 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.045 7.873 8.312 1.00 0.00 N ATOM 1081 CZ ARG A 68 -3.933 8.078 9.597 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -4.242 9.250 10.077 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -3.514 7.103 10.356 1.00 0.00 N ATOM 0 H ARG A 68 -4.960 10.807 4.084 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.350 8.480 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.965 10.801 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.735 9.536 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.390 7.868 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.430 9.264 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.297 8.292 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.108 9.714 7.799 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.653 7.134 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.565 9.988 9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.161 9.429 11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.280 6.200 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.420 7.244 11.362 1.00 0.00 H new ATOM 1097 N GLU A 69 -7.997 11.223 5.344 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.324 11.730 5.775 1.00 0.00 C ATOM 1099 C GLU A 69 -10.428 11.165 4.895 1.00 0.00 C ATOM 1100 O GLU A 69 -11.580 11.142 5.282 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.328 13.261 5.657 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.442 13.848 6.754 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.299 14.152 7.983 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.802 13.193 8.543 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -9.403 15.328 8.293 1.00 0.00 O ATOM 0 H GLU A 69 -7.413 11.890 4.840 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.504 11.421 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.962 13.564 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.345 13.643 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.650 13.146 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.958 14.758 6.399 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.055 10.716 3.724 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.068 10.146 2.799 1.00 0.00 C ATOM 1114 C ALA A 70 -11.043 8.626 2.850 1.00 0.00 C ATOM 1115 O ALA A 70 -12.053 7.991 3.079 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.725 10.595 1.372 1.00 0.00 C ATOM 0 H ALA A 70 -9.097 10.721 3.374 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.059 10.493 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.458 10.187 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.742 11.684 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.731 10.234 1.106 1.00 0.00 H new ATOM 1122 N ILE A 71 -9.881 8.069 2.638 1.00 0.00 N ATOM 1123 CA ILE A 71 -9.759 6.593 2.669 1.00 0.00 C ATOM 1124 C ILE A 71 -8.411 6.177 3.242 1.00 0.00 C ATOM 1125 O ILE A 71 -7.380 6.659 2.816 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.859 6.072 1.234 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.315 6.058 0.787 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.321 4.632 1.196 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.386 5.624 -0.680 1.00 0.00 C ATOM 0 H ILE A 71 -9.016 8.575 2.446 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.551 6.182 3.295 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.282 6.718 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.893 5.375 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.755 7.048 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.386 4.246 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.281 4.623 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.915 4.004 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.426 5.612 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.821 6.325 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.961 4.626 -0.785 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.440 5.294 4.199 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.167 4.840 4.806 1.00 0.00 C ATOM 1143 C ALA A 72 -6.643 3.610 4.080 1.00 0.00 C ATOM 1144 O ALA A 72 -5.563 3.128 4.362 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.430 4.474 6.276 1.00 0.00 C ATOM 0 H ALA A 72 -9.285 4.871 4.583 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.428 5.638 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.502 4.137 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.804 5.349 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.171 3.676 6.325 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.421 3.126 3.150 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.993 1.928 2.390 1.00 0.00 C ATOM 1153 C LYS A 73 -7.739 1.844 1.056 1.00 0.00 C ATOM 1154 O LYS A 73 -8.954 1.860 1.023 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.317 0.689 3.240 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.344 -0.557 2.348 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.550 -1.798 3.226 1.00 0.00 C ATOM 1158 CE LYS A 73 -6.285 -2.051 4.055 1.00 0.00 C ATOM 1159 NZ LYS A 73 -6.582 -1.914 5.510 1.00 0.00 N ATOM 0 H LYS A 73 -8.329 3.509 2.888 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.925 1.985 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.571 0.570 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.281 0.816 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.147 -0.477 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.411 -0.641 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.407 -1.653 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.770 -2.665 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.900 -3.050 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.507 -1.344 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.716 -2.088 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.928 -0.953 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.309 -2.606 5.782 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.990 1.751 -0.019 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.625 1.665 -1.367 1.00 0.00 C ATOM 1175 C TYR A 74 -7.522 0.258 -1.948 1.00 0.00 C ATOM 1176 O TYR A 74 -6.567 -0.452 -1.695 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.872 2.621 -2.312 1.00 0.00 C ATOM 1178 CG TYR A 74 -7.056 4.067 -1.846 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.573 4.479 -0.620 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.702 4.983 -2.651 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.737 5.783 -0.205 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.865 6.288 -2.236 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.384 6.700 -1.009 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.546 8.006 -0.592 1.00 0.00 O ATOM 0 H TYR A 74 -5.970 1.731 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.679 1.927 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.812 2.368 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.244 2.508 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.063 3.774 0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.083 4.675 -3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.356 6.090 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.373 6.994 -2.876 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.022 8.513 -1.282 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.517 -0.114 -2.725 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.513 -1.466 -3.347 1.00 0.00 C ATOM 1196 C ILE A 75 -8.249 -1.331 -4.847 1.00 0.00 C ATOM 1197 O ILE A 75 -8.819 -0.479 -5.498 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.891 -2.103 -3.131 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -10.242 -2.076 -1.648 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.832 -3.569 -3.592 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.575 -2.798 -1.431 1.00 0.00 C ATOM 0 H ILE A 75 -9.326 0.464 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.737 -2.085 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.642 -1.551 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.455 -2.558 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.312 -1.046 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.806 -4.036 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.567 -3.608 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.081 -4.103 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.830 -2.781 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.357 -2.296 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.488 -3.831 -1.767 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.385 -2.168 -5.368 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.077 -2.089 -6.832 1.00 0.00 C ATOM 1215 C LEU A 76 -6.950 -3.478 -7.456 1.00 0.00 C ATOM 1216 O LEU A 76 -6.521 -4.405 -6.813 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.715 -1.369 -6.977 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.781 -0.333 -8.103 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.893 0.669 -7.813 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.447 0.416 -8.163 1.00 0.00 C ATOM 0 H LEU A 76 -6.886 -2.893 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.884 -1.560 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.452 -0.881 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.931 -2.097 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.979 -0.835 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.938 1.405 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.847 0.145 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.691 1.174 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.481 1.157 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.267 0.916 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.641 -0.291 -8.359 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.346 -3.593 -8.707 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.252 -4.911 -9.400 1.00 0.00 C ATOM 1234 C TYR A 77 -6.187 -4.811 -10.476 1.00 0.00 C ATOM 1235 O TYR A 77 -6.205 -3.887 -11.267 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.610 -5.233 -10.041 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.661 -5.372 -8.936 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.050 -4.273 -8.197 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.229 -6.599 -8.659 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.993 -4.399 -7.197 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.172 -6.724 -7.658 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.561 -5.625 -6.920 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.503 -5.751 -5.920 1.00 0.00 O ATOM 0 H TYR A 77 -7.727 -2.832 -9.270 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.991 -5.699 -8.694 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.896 -4.443 -10.735 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.545 -6.156 -10.617 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.613 -3.307 -8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.934 -7.467 -9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.288 -3.531 -6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.609 -7.690 -7.451 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.797 -6.684 -5.863 1.00 0.00 H new ATOM 1253 N SER A 78 -5.275 -5.762 -10.494 1.00 0.00 N ATOM 1254 CA SER A 78 -4.195 -5.720 -11.524 1.00 0.00 C ATOM 1255 C SER A 78 -4.227 -6.899 -12.489 1.00 0.00 C ATOM 1256 O SER A 78 -4.735 -7.972 -12.183 1.00 0.00 O ATOM 1257 CB SER A 78 -2.850 -5.734 -10.788 1.00 0.00 C ATOM 1258 OG SER A 78 -2.674 -7.091 -10.407 1.00 0.00 O ATOM 0 H SER A 78 -5.236 -6.551 -9.849 1.00 0.00 H new ATOM 0 HA SER A 78 -4.343 -4.819 -12.120 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.040 -5.393 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.865 -5.075 -9.920 1.00 0.00 H new ATOM 0 HG SER A 78 -1.826 -7.188 -9.926 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.660 -6.649 -13.644 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.590 -7.671 -14.710 1.00 0.00 C ATOM 1266 C HIS A 79 -2.161 -7.714 -15.256 1.00 0.00 C ATOM 1267 O HIS A 79 -1.469 -6.715 -15.221 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.556 -7.251 -15.834 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.919 -6.912 -15.223 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -6.954 -7.597 -15.360 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.289 -5.840 -14.435 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.939 -7.080 -14.748 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.611 -5.949 -14.124 1.00 0.00 N ATOM 0 H HIS A 79 -3.235 -5.754 -13.889 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.862 -8.654 -14.326 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.159 -6.388 -16.369 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.660 -8.056 -16.561 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.002 -8.463 -15.896 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.635 -5.042 -14.116 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.930 -7.508 -14.735 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.736 -8.862 -15.744 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.340 -8.954 -16.286 1.00 0.00 C ATOM 1283 C ALA A 80 -0.286 -9.629 -17.662 1.00 0.00 C ATOM 1284 O ALA A 80 -0.886 -10.664 -17.875 1.00 0.00 O ATOM 1285 CB ALA A 80 0.484 -9.784 -15.295 1.00 0.00 C ATOM 0 H ALA A 80 -2.284 -9.721 -15.789 1.00 0.00 H new ATOM 0 HA ALA A 80 0.052 -7.944 -16.407 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.508 -9.872 -15.658 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.485 -9.293 -14.322 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.046 -10.778 -15.200 1.00 0.00 H new ATOM 1291 N VAL A 81 0.463 -9.024 -18.568 1.00 0.00 N ATOM 1292 CA VAL A 81 0.582 -9.608 -19.951 1.00 0.00 C ATOM 1293 C VAL A 81 2.043 -9.738 -20.366 1.00 0.00 C ATOM 1294 O VAL A 81 2.805 -8.812 -20.239 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.119 -8.668 -20.941 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.524 -9.196 -21.239 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.223 -7.273 -20.324 1.00 0.00 C ATOM 0 H VAL A 81 0.989 -8.164 -18.411 1.00 0.00 H new ATOM 0 HA VAL A 81 0.125 -10.598 -19.952 1.00 0.00 H new ATOM 0 HB VAL A 81 0.455 -8.619 -21.866 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.022 -8.528 -21.942 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.453 -10.193 -21.673 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.099 -9.243 -20.314 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.720 -6.602 -21.024 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.799 -7.326 -19.400 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.776 -6.896 -20.107 1.00 0.00 H new ATOM 1307 N SER A 82 2.399 -10.885 -20.884 1.00 0.00 N ATOM 1308 CA SER A 82 3.814 -11.088 -21.311 1.00 0.00 C ATOM 1309 C SER A 82 4.256 -10.019 -22.304 1.00 0.00 C ATOM 1310 O SER A 82 3.550 -9.702 -23.248 1.00 0.00 O ATOM 1311 CB SER A 82 3.933 -12.456 -21.983 1.00 0.00 C ATOM 1312 OG SER A 82 3.128 -12.333 -23.141 1.00 0.00 O ATOM 0 H SER A 82 1.778 -11.681 -21.028 1.00 0.00 H new ATOM 0 HA SER A 82 4.451 -11.025 -20.429 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.967 -12.688 -22.237 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.578 -13.254 -21.331 1.00 0.00 H new ATOM 0 HG SER A 82 3.637 -12.625 -23.926 1.00 0.00 H new ATOM 1318 N SER A 83 5.431 -9.500 -22.080 1.00 0.00 N ATOM 1319 CA SER A 83 5.967 -8.449 -22.979 1.00 0.00 C ATOM 1320 C SER A 83 6.119 -8.938 -24.419 1.00 0.00 C ATOM 1321 O SER A 83 6.711 -8.254 -25.232 1.00 0.00 O ATOM 1322 CB SER A 83 7.352 -8.048 -22.457 1.00 0.00 C ATOM 1323 OG SER A 83 7.654 -6.850 -23.156 1.00 0.00 O ATOM 0 H SER A 83 6.044 -9.762 -21.308 1.00 0.00 H new ATOM 0 HA SER A 83 5.268 -7.613 -22.984 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.340 -7.888 -21.379 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.092 -8.823 -22.656 1.00 0.00 H new ATOM 0 HG SER A 83 7.140 -6.109 -22.773 1.00 0.00 H new ATOM 1329 N ASN A 84 5.588 -10.107 -24.711 1.00 0.00 N ATOM 1330 CA ASN A 84 5.704 -10.641 -26.108 1.00 0.00 C ATOM 1331 C ASN A 84 4.343 -10.723 -26.789 1.00 0.00 C ATOM 1332 O ASN A 84 4.272 -10.896 -27.990 1.00 0.00 O ATOM 1333 CB ASN A 84 6.325 -12.047 -26.059 1.00 0.00 C ATOM 1334 CG ASN A 84 5.776 -12.812 -24.861 1.00 0.00 C ATOM 1335 OD1 ASN A 84 4.509 -13.107 -24.823 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 6.500 -13.154 -23.950 1.00 0.00 N flip ATOM 0 H ASN A 84 5.088 -10.705 -24.053 1.00 0.00 H new ATOM 0 HA ASN A 84 6.334 -9.961 -26.682 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.101 -12.586 -26.980 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.410 -11.973 -25.989 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.494 -12.925 -23.975 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.115 -13.670 -23.159 1.00 0.00 H new ATOM 1343 N GLY A 85 3.284 -10.601 -26.013 1.00 0.00 N ATOM 1344 CA GLY A 85 1.910 -10.671 -26.625 1.00 0.00 C ATOM 1345 C GLY A 85 1.083 -11.825 -26.041 1.00 0.00 C ATOM 1346 O GLY A 85 -0.033 -12.051 -26.465 1.00 0.00 O ATOM 0 H GLY A 85 3.309 -10.459 -25.003 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.389 -9.729 -26.456 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.999 -10.797 -27.704 1.00 0.00 H new ATOM 1350 N GLU A 86 1.640 -12.528 -25.087 1.00 0.00 N ATOM 1351 CA GLU A 86 0.880 -13.663 -24.481 1.00 0.00 C ATOM 1352 C GLU A 86 0.242 -13.231 -23.170 1.00 0.00 C ATOM 1353 O GLU A 86 0.917 -12.804 -22.256 1.00 0.00 O ATOM 1354 CB GLU A 86 1.848 -14.828 -24.202 1.00 0.00 C ATOM 1355 CG GLU A 86 2.131 -15.573 -25.509 1.00 0.00 C ATOM 1356 CD GLU A 86 2.975 -14.689 -26.429 1.00 0.00 C ATOM 1357 OE1 GLU A 86 2.380 -13.812 -27.033 1.00 0.00 O ATOM 1358 OE2 GLU A 86 4.167 -14.942 -26.479 1.00 0.00 O ATOM 0 H GLU A 86 2.573 -12.369 -24.707 1.00 0.00 H new ATOM 0 HA GLU A 86 0.099 -13.975 -25.175 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.778 -14.450 -23.777 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.415 -15.508 -23.468 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.656 -16.506 -25.302 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.194 -15.837 -26.000 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.053 -13.350 -23.106 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.765 -12.955 -21.869 1.00 0.00 C ATOM 1367 C ALA A 87 -1.428 -13.876 -20.707 1.00 0.00 C ATOM 1368 O ALA A 87 -1.510 -15.084 -20.819 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.276 -13.039 -22.136 1.00 0.00 C ATOM 0 H ALA A 87 -1.646 -13.703 -23.857 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.459 -11.944 -21.602 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.821 -12.752 -21.237 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.540 -12.365 -22.951 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.541 -14.060 -22.410 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.053 -13.278 -19.609 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.703 -14.075 -18.409 1.00 0.00 C ATOM 1377 C VAL A 88 -1.264 -13.387 -17.180 1.00 0.00 C ATOM 1378 O VAL A 88 -0.809 -13.600 -16.075 1.00 0.00 O ATOM 1379 CB VAL A 88 0.835 -14.145 -18.280 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.446 -14.551 -19.619 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.375 -12.768 -17.887 1.00 0.00 C ATOM 0 H VAL A 88 -0.975 -12.267 -19.495 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.116 -15.080 -18.499 1.00 0.00 H new ATOM 0 HB VAL A 88 1.097 -14.880 -17.519 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.531 -14.599 -19.524 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.063 -15.529 -19.912 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.181 -13.815 -20.378 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.460 -12.815 -17.795 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.107 -12.040 -18.653 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.943 -12.467 -16.933 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.267 -12.576 -17.401 1.00 0.00 N ATOM 1392 CA GLU A 89 -2.885 -11.851 -16.271 1.00 0.00 C ATOM 1393 C GLU A 89 -3.834 -12.721 -15.482 1.00 0.00 C ATOM 1394 O GLU A 89 -4.274 -13.759 -15.933 1.00 0.00 O ATOM 1395 CB GLU A 89 -3.694 -10.670 -16.825 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.941 -11.203 -17.536 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.141 -11.108 -16.593 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -5.901 -11.208 -15.401 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.230 -10.938 -17.117 1.00 0.00 O ATOM 0 H GLU A 89 -2.678 -12.390 -18.316 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.080 -11.526 -15.612 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.981 -9.999 -16.015 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.085 -10.090 -17.519 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.130 -10.628 -18.443 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.785 -12.238 -17.841 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.126 -12.259 -14.311 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.040 -12.992 -13.426 1.00 0.00 C ATOM 1408 C ASP A 90 -5.733 -11.989 -12.492 1.00 0.00 C ATOM 1409 O ASP A 90 -5.083 -11.137 -11.921 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.211 -13.972 -12.582 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.724 -15.120 -13.468 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.578 -15.703 -14.117 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.526 -15.350 -13.448 1.00 0.00 O ATOM 0 H ASP A 90 -3.761 -11.388 -13.926 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.786 -13.532 -14.009 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.361 -13.456 -12.136 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.813 -14.362 -11.761 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.038 -12.099 -12.345 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.767 -11.186 -11.477 1.00 0.00 C ATOM 1420 C PRO A 91 -7.143 -11.154 -10.080 1.00 0.00 C ATOM 1421 O PRO A 91 -7.517 -11.920 -9.211 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.214 -11.749 -11.431 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.257 -12.981 -12.386 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.849 -13.143 -12.986 1.00 0.00 C ATOM 0 HA PRO A 91 -7.743 -10.160 -11.844 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.482 -12.039 -10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.932 -10.992 -11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.549 -13.879 -11.842 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.996 -12.831 -13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.446 -14.135 -12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.865 -13.020 -14.069 1.00 0.00 H new ATOM 1432 N MET A 92 -6.183 -10.264 -9.897 1.00 0.00 N ATOM 1433 CA MET A 92 -5.515 -10.161 -8.566 1.00 0.00 C ATOM 1434 C MET A 92 -5.825 -8.837 -7.903 1.00 0.00 C ATOM 1435 O MET A 92 -5.592 -7.786 -8.467 1.00 0.00 O ATOM 1436 CB MET A 92 -3.997 -10.251 -8.772 1.00 0.00 C ATOM 1437 CG MET A 92 -3.622 -11.692 -9.126 1.00 0.00 C ATOM 1438 SD MET A 92 -3.584 -12.897 -7.776 1.00 0.00 S ATOM 1439 CE MET A 92 -3.371 -14.373 -8.799 1.00 0.00 C ATOM 0 H MET A 92 -5.843 -9.616 -10.608 1.00 0.00 H new ATOM 0 HA MET A 92 -5.879 -10.969 -7.931 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.685 -9.575 -9.568 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.476 -9.939 -7.867 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.327 -12.049 -9.877 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.638 -11.679 -9.594 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.322 -15.255 -8.160 1.00 0.00 H new ATOM 0 HE2 MET A 92 -4.215 -14.467 -9.482 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.448 -14.288 -9.372 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.348 -8.905 -6.715 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.675 -7.658 -6.003 1.00 0.00 C ATOM 1451 C GLU A 93 -5.425 -7.078 -5.361 1.00 0.00 C ATOM 1452 O GLU A 93 -4.460 -7.782 -5.133 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.694 -7.977 -4.899 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.736 -9.488 -4.675 1.00 0.00 C ATOM 1455 CD GLU A 93 -8.464 -9.782 -3.363 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -9.670 -9.596 -3.360 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -7.773 -10.174 -2.437 1.00 0.00 O ATOM 0 H GLU A 93 -6.560 -9.768 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.084 -6.935 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.419 -7.468 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.681 -7.612 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.246 -9.977 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.724 -9.891 -4.641 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.468 -5.806 -5.083 1.00 0.00 N ATOM 1465 CA ILE A 94 -4.299 -5.141 -4.455 1.00 0.00 C ATOM 1466 C ILE A 94 -4.772 -4.252 -3.318 1.00 0.00 C ATOM 1467 O ILE A 94 -5.588 -3.370 -3.517 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.588 -4.277 -5.512 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.518 -5.097 -6.217 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.904 -3.081 -4.812 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.874 -4.240 -7.311 1.00 0.00 C ATOM 0 H ILE A 94 -6.266 -5.198 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.613 -5.893 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.322 -3.927 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.763 -5.425 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.957 -5.995 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.398 -2.465 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.655 -2.483 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.175 -3.450 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.105 -4.820 -7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.635 -3.934 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.423 -3.355 -6.862 1.00 0.00 H new ATOM 1483 N VAL A 95 -4.253 -4.499 -2.148 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.658 -3.682 -0.980 1.00 0.00 C ATOM 1485 C VAL A 95 -3.619 -2.614 -0.680 1.00 0.00 C ATOM 1486 O VAL A 95 -2.542 -2.912 -0.208 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.767 -4.620 0.233 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.439 -3.880 1.390 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.615 -5.837 -0.149 1.00 0.00 C ATOM 0 H VAL A 95 -3.568 -5.230 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.607 -3.190 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.772 -4.943 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.517 -4.544 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.844 -3.007 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.436 -3.560 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.696 -6.507 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.610 -5.508 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.143 -6.364 -0.978 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.968 -1.383 -0.953 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.018 -0.275 -0.692 1.00 0.00 C ATOM 1501 C ILE A 96 -3.386 0.440 0.596 1.00 0.00 C ATOM 1502 O ILE A 96 -4.380 1.130 0.658 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.109 0.719 -1.849 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.390 0.159 -3.069 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.415 2.025 -1.425 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -3.107 0.630 -4.336 1.00 0.00 C ATOM 0 H ILE A 96 -4.868 -1.104 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.008 -0.676 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.155 0.899 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.352 0.492 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.375 -0.930 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.470 2.747 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.912 2.432 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.370 1.822 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.596 0.232 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.138 0.275 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.099 1.719 -4.375 1.00 0.00 H new ATOM 1518 N THR A 97 -2.579 0.267 1.604 1.00 0.00 N ATOM 1519 CA THR A 97 -2.875 0.933 2.894 1.00 0.00 C ATOM 1520 C THR A 97 -2.191 2.290 2.981 1.00 0.00 C ATOM 1521 O THR A 97 -1.103 2.476 2.470 1.00 0.00 O ATOM 1522 CB THR A 97 -2.355 0.043 4.026 1.00 0.00 C ATOM 1523 OG1 THR A 97 -2.933 0.563 5.206 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.843 0.229 4.220 1.00 0.00 C ATOM 0 H THR A 97 -1.734 -0.303 1.588 1.00 0.00 H new ATOM 0 HA THR A 97 -3.951 1.085 2.975 1.00 0.00 H new ATOM 0 HB THR A 97 -2.585 -1.000 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.639 0.032 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.498 -0.414 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.323 -0.036 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.633 1.269 4.469 1.00 0.00 H new ATOM 1532 N VAL A 98 -2.845 3.218 3.624 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.245 4.570 3.753 1.00 0.00 C ATOM 1534 C VAL A 98 -1.395 4.670 5.014 1.00 0.00 C ATOM 1535 O VAL A 98 -1.824 4.279 6.082 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.381 5.598 3.843 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -2.782 7.005 3.866 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.284 5.457 2.619 1.00 0.00 C ATOM 0 H VAL A 98 -3.759 3.098 4.060 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.610 4.760 2.888 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.961 5.429 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.584 7.741 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.126 7.107 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.209 7.171 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.093 6.185 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.702 5.634 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.703 4.451 2.590 1.00 0.00 H new ATOM 1548 N THR A 99 -0.203 5.196 4.859 1.00 0.00 N ATOM 1549 CA THR A 99 0.710 5.340 6.029 1.00 0.00 C ATOM 1550 C THR A 99 0.986 6.809 6.326 1.00 0.00 C ATOM 1551 O THR A 99 1.097 7.614 5.427 1.00 0.00 O ATOM 1552 CB THR A 99 2.035 4.654 5.685 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.689 3.589 4.820 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.634 3.966 6.921 1.00 0.00 C ATOM 0 H THR A 99 0.174 5.531 3.972 1.00 0.00 H new ATOM 0 HA THR A 99 0.243 4.889 6.905 1.00 0.00 H new ATOM 0 HB THR A 99 2.734 5.385 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.499 3.104 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.575 3.486 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.816 4.708 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.937 3.215 7.293 1.00 0.00 H new ATOM 1562 N ASP A 100 1.095 7.131 7.584 1.00 0.00 N ATOM 1563 CA ASP A 100 1.362 8.542 7.951 1.00 0.00 C ATOM 1564 C ASP A 100 2.576 9.081 7.206 1.00 0.00 C ATOM 1565 O ASP A 100 3.310 8.332 6.589 1.00 0.00 O ATOM 1566 CB ASP A 100 1.648 8.606 9.457 1.00 0.00 C ATOM 1567 CG ASP A 100 0.330 8.775 10.214 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -0.651 8.247 9.718 1.00 0.00 O ATOM 1569 OD2 ASP A 100 0.377 9.425 11.246 1.00 0.00 O ATOM 0 H ASP A 100 1.011 6.482 8.366 1.00 0.00 H new ATOM 0 HA ASP A 100 0.493 9.144 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.153 7.697 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.317 9.438 9.677 1.00 0.00 H new ATOM 1574 N GLN A 101 2.758 10.377 7.281 1.00 0.00 N ATOM 1575 CA GLN A 101 3.914 11.013 6.590 1.00 0.00 C ATOM 1576 C GLN A 101 4.821 11.693 7.605 1.00 0.00 C ATOM 1577 O GLN A 101 5.955 12.015 7.312 1.00 0.00 O ATOM 1578 CB GLN A 101 3.372 12.076 5.621 1.00 0.00 C ATOM 1579 CG GLN A 101 4.286 12.150 4.395 1.00 0.00 C ATOM 1580 CD GLN A 101 5.576 12.880 4.770 1.00 0.00 C ATOM 1581 OE1 GLN A 101 5.498 13.990 5.451 1.00 0.00 O flip ATOM 1582 NE2 GLN A 101 6.664 12.448 4.448 1.00 0.00 N flip ATOM 0 H GLN A 101 2.153 11.019 7.793 1.00 0.00 H new ATOM 0 HA GLN A 101 4.483 10.253 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.356 11.825 5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.326 13.047 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.514 11.146 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.782 12.673 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.731 11.581 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 101 7.511 12.952 4.710 1.00 0.00 H new ATOM 1591 N ASN A 102 4.300 11.899 8.783 1.00 0.00 N ATOM 1592 CA ASN A 102 5.106 12.554 9.841 1.00 0.00 C ATOM 1593 C ASN A 102 5.543 13.955 9.414 1.00 0.00 C ATOM 1594 O ASN A 102 6.659 14.158 8.977 1.00 0.00 O ATOM 1595 CB ASN A 102 6.353 11.692 10.103 1.00 0.00 C ATOM 1596 CG ASN A 102 6.915 12.025 11.484 1.00 0.00 C ATOM 1597 OD1 ASN A 102 6.184 12.330 12.406 1.00 0.00 O ATOM 1598 ND2 ASN A 102 8.206 11.979 11.671 1.00 0.00 N ATOM 0 H ASN A 102 3.351 11.641 9.055 1.00 0.00 H new ATOM 0 HA ASN A 102 4.500 12.648 10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.096 10.634 10.047 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.106 11.878 9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.597 12.198 12.587 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.824 11.724 10.901 1.00 0.00 H new ATOM 1605 N ASP A 103 4.650 14.901 9.553 1.00 0.00 N ATOM 1606 CA ASP A 103 4.990 16.293 9.164 1.00 0.00 C ATOM 1607 C ASP A 103 5.472 17.088 10.372 1.00 0.00 C ATOM 1608 O ASP A 103 5.056 16.838 11.483 1.00 0.00 O ATOM 1609 CB ASP A 103 3.725 16.966 8.605 1.00 0.00 C ATOM 1610 CG ASP A 103 2.694 15.894 8.255 1.00 0.00 C ATOM 1611 OD1 ASP A 103 2.895 15.264 7.231 1.00 0.00 O ATOM 1612 OD2 ASP A 103 1.761 15.766 9.032 1.00 0.00 O ATOM 0 H ASP A 103 3.707 14.767 9.917 1.00 0.00 H new ATOM 0 HA ASP A 103 5.784 16.270 8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.312 17.657 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.972 17.552 7.720 1.00 0.00 H new ATOM 1617 N ASN A 104 6.343 18.035 10.127 1.00 0.00 N ATOM 1618 CA ASN A 104 6.870 18.863 11.248 1.00 0.00 C ATOM 1619 C ASN A 104 8.084 19.665 10.792 1.00 0.00 C ATOM 1620 O ASN A 104 9.143 19.062 10.744 1.00 0.00 O ATOM 1621 CB ASN A 104 7.291 17.923 12.404 1.00 0.00 C ATOM 1622 CG ASN A 104 8.472 18.537 13.169 1.00 0.00 C ATOM 1623 OD1 ASN A 104 8.531 19.832 13.311 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 9.347 17.839 13.643 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 7.889 20.839 10.519 1.00 0.00 O ATOM 0 H ASN A 104 6.709 18.268 9.204 1.00 0.00 H new ATOM 0 HA ASN A 104 6.095 19.554 11.579 1.00 0.00 H new ATOM 0 HB2 ASN A 104 6.451 17.764 13.080 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.570 16.947 12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.306 16.826 13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.123 18.267 14.149 1.00 0.00 H new TER 1632 ASN A 104