USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 802 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 77 THR OG1 : rot 34:sc= 1.13 USER MOD Set 1.2: A 79 TYR OH : rot 158:sc= 0.157 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.12 (180deg=-0.669) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.116 F(o=-1.6!,f=-0.12) USER MOD Single : A 4 THR OG1 : rot 55:sc= 1.16 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 22 GLN : amide:sc= -0.0755 X(o=-0.075,f=-0.075) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -2.17 X(o=-2.2,f=-2.1!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 20:sc= 0.0842 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0669 (180deg=-0.581) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0451 (180deg=-0.472) USER MOD Single : A 54 HIS : no HD1:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 61 SER OG : rot 79:sc= 0.0621 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -41:sc= 0.146 USER MOD Single : A 65 THR OG1 : rot -61:sc= 1.14 USER MOD Single : A 69 ASN :FLIP amide:sc= 0.198 F(o=-0.55,f=0.2) USER MOD Single : A 72 HIS : no HD1:sc=-0.00398 X(o=-0.004,f=-0.032) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 75 CYS SG : rot 25:sc= 0.267 USER MOD Single : A 80 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3) USER MOD Single : A 81 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.29) USER MOD Single : A 84 THR OG1 : rot -100:sc= 0.144 USER MOD Single : A 85 CYS SG : rot 55:sc= -0.304 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00144 USER MOD Single : A 92 SER OG : rot 82:sc= 0.911 USER MOD Single : A 93 CYS SG : rot -53:sc= -0.107 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 109:sc= 1.08 USER MOD Single : A 103 THR OG1 : rot -151:sc= 0.972 USER MOD Single : A 104 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.935 4.075 -3.225 1.00 1.00 N ATOM 2 CA MET A 1 5.193 3.315 -4.481 1.00 1.00 C ATOM 3 C MET A 1 5.659 1.902 -4.123 1.00 1.00 C ATOM 4 O MET A 1 6.328 1.695 -3.111 1.00 1.00 O ATOM 5 CB MET A 1 6.264 4.048 -5.319 1.00 1.00 C ATOM 6 CG MET A 1 7.488 4.375 -4.451 1.00 1.00 C ATOM 7 SD MET A 1 8.749 5.174 -5.474 1.00 1.00 S ATOM 8 CE MET A 1 9.983 5.407 -4.171 1.00 1.00 C ATOM 0 H1 MET A 1 5.068 5.091 -3.401 1.00 1.00 H new ATOM 0 H2 MET A 1 3.959 3.903 -2.910 1.00 1.00 H new ATOM 0 H3 MET A 1 5.598 3.761 -2.487 1.00 1.00 H new ATOM 0 HA MET A 1 4.280 3.247 -5.072 1.00 1.00 H new ATOM 0 HB2 MET A 1 6.564 3.426 -6.163 1.00 1.00 H new ATOM 0 HB3 MET A 1 5.847 4.966 -5.732 1.00 1.00 H new ATOM 0 HG2 MET A 1 7.201 5.031 -3.629 1.00 1.00 H new ATOM 0 HG3 MET A 1 7.887 3.463 -4.007 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.864 5.894 -4.588 1.00 1.00 H new ATOM 0 HE2 MET A 1 9.564 6.029 -3.380 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.265 4.438 -3.759 1.00 1.00 H new ATOM 20 N SER A 2 5.293 0.934 -4.965 1.00 1.00 N ATOM 21 CA SER A 2 5.668 -0.465 -4.744 1.00 1.00 C ATOM 22 C SER A 2 7.164 -0.664 -4.977 1.00 1.00 C ATOM 23 O SER A 2 7.689 -1.750 -4.743 1.00 1.00 O ATOM 24 CB SER A 2 4.872 -1.369 -5.690 1.00 1.00 C ATOM 25 OG SER A 2 3.483 -1.189 -5.449 1.00 1.00 O ATOM 0 H SER A 2 4.738 1.092 -5.806 1.00 1.00 H new ATOM 0 HA SER A 2 5.439 -0.728 -3.711 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.108 -1.128 -6.727 1.00 1.00 H new ATOM 0 HB3 SER A 2 5.148 -2.412 -5.534 1.00 1.00 H new ATOM 0 HG SER A 2 2.969 -1.764 -6.053 1.00 1.00 H new ATOM 31 N ASN A 3 7.835 0.394 -5.447 1.00 1.00 N ATOM 32 CA ASN A 3 9.277 0.350 -5.721 1.00 1.00 C ATOM 33 C ASN A 3 9.581 -0.560 -6.915 1.00 1.00 C ATOM 34 O ASN A 3 10.235 -0.135 -7.870 1.00 1.00 O ATOM 35 CB ASN A 3 10.063 -0.122 -4.463 1.00 1.00 C ATOM 36 CG ASN A 3 11.540 0.282 -4.555 1.00 1.00 C ATOM 37 OD1 ASN A 3 12.224 -0.013 -5.626 1.00 1.00 O flip ATOM 38 ND2 ASN A 3 12.076 0.888 -3.628 1.00 1.00 N flip ATOM 0 H ASN A 3 7.401 1.295 -5.646 1.00 1.00 H new ATOM 0 HA ASN A 3 9.601 1.360 -5.972 1.00 1.00 H new ATOM 0 HB2 ASN A 3 9.618 0.312 -3.568 1.00 1.00 H new ATOM 0 HB3 ASN A 3 9.984 -1.205 -4.365 1.00 1.00 H new ATOM 0 HD21 ASN A 3 11.540 1.118 -2.791 1.00 1.00 H new ATOM 0 HD22 ASN A 3 13.057 1.161 -3.696 1.00 1.00 H new ATOM 45 N THR A 4 9.100 -1.811 -6.851 1.00 1.00 N ATOM 46 CA THR A 4 9.306 -2.809 -7.923 1.00 1.00 C ATOM 47 C THR A 4 7.958 -3.253 -8.478 1.00 1.00 C ATOM 48 O THR A 4 7.328 -4.151 -7.918 1.00 1.00 O ATOM 49 CB THR A 4 10.021 -4.038 -7.336 1.00 1.00 C ATOM 50 OG1 THR A 4 9.239 -4.574 -6.279 1.00 1.00 O ATOM 51 CG2 THR A 4 11.396 -3.636 -6.797 1.00 1.00 C ATOM 0 H THR A 4 8.559 -2.162 -6.061 1.00 1.00 H new ATOM 0 HA THR A 4 9.905 -2.364 -8.718 1.00 1.00 H new ATOM 0 HB THR A 4 10.149 -4.786 -8.118 1.00 1.00 H new ATOM 0 HG1 THR A 4 8.335 -4.765 -6.605 1.00 1.00 H new ATOM 0 HG21 THR A 4 11.895 -4.512 -6.383 1.00 1.00 H new ATOM 0 HG22 THR A 4 11.998 -3.224 -7.607 1.00 1.00 H new ATOM 0 HG23 THR A 4 11.275 -2.885 -6.016 1.00 1.00 H new ATOM 59 N THR A 5 7.504 -2.629 -9.573 1.00 1.00 N ATOM 60 CA THR A 5 6.203 -2.986 -10.179 1.00 1.00 C ATOM 61 C THR A 5 6.407 -4.091 -11.224 1.00 1.00 C ATOM 62 O THR A 5 7.178 -3.926 -12.171 1.00 1.00 O ATOM 63 CB THR A 5 5.554 -1.735 -10.834 1.00 1.00 C ATOM 64 OG1 THR A 5 4.621 -2.143 -11.828 1.00 1.00 O ATOM 65 CG2 THR A 5 6.628 -0.845 -11.485 1.00 1.00 C ATOM 0 H THR A 5 8.006 -1.884 -10.056 1.00 1.00 H new ATOM 0 HA THR A 5 5.534 -3.353 -9.400 1.00 1.00 H new ATOM 0 HB THR A 5 5.044 -1.165 -10.057 1.00 1.00 H new ATOM 0 HG1 THR A 5 4.213 -1.352 -12.238 1.00 1.00 H new ATOM 0 HG21 THR A 5 6.154 0.025 -11.938 1.00 1.00 H new ATOM 0 HG22 THR A 5 7.338 -0.517 -10.726 1.00 1.00 H new ATOM 0 HG23 THR A 5 7.154 -1.412 -12.253 1.00 1.00 H new ATOM 73 N TRP A 6 5.713 -5.217 -11.040 1.00 1.00 N ATOM 74 CA TRP A 6 5.813 -6.360 -11.958 1.00 1.00 C ATOM 75 C TRP A 6 4.971 -6.127 -13.213 1.00 1.00 C ATOM 76 O TRP A 6 3.902 -5.520 -13.155 1.00 1.00 O ATOM 77 CB TRP A 6 5.324 -7.635 -11.244 1.00 1.00 C ATOM 78 CG TRP A 6 6.023 -7.772 -9.928 1.00 1.00 C ATOM 79 CD1 TRP A 6 7.362 -7.897 -9.763 1.00 1.00 C ATOM 80 CD2 TRP A 6 5.442 -7.794 -8.593 1.00 1.00 C ATOM 81 NE1 TRP A 6 7.636 -8.004 -8.412 1.00 1.00 N ATOM 82 CE2 TRP A 6 6.486 -7.942 -7.649 1.00 1.00 C ATOM 83 CE3 TRP A 6 4.123 -7.700 -8.112 1.00 1.00 C ATOM 84 CZ2 TRP A 6 6.230 -8.000 -6.279 1.00 1.00 C ATOM 85 CZ3 TRP A 6 3.862 -7.756 -6.734 1.00 1.00 C ATOM 86 CH2 TRP A 6 4.914 -7.905 -5.819 1.00 1.00 C ATOM 0 H TRP A 6 5.072 -5.364 -10.260 1.00 1.00 H new ATOM 0 HA TRP A 6 6.855 -6.474 -12.256 1.00 1.00 H new ATOM 0 HB2 TRP A 6 4.246 -7.588 -11.091 1.00 1.00 H new ATOM 0 HB3 TRP A 6 5.520 -8.509 -11.864 1.00 1.00 H new ATOM 0 HD1 TRP A 6 8.095 -7.911 -10.556 1.00 1.00 H new ATOM 0 HE1 TRP A 6 8.573 -8.115 -8.026 1.00 1.00 H new ATOM 0 HE3 TRP A 6 3.306 -7.584 -8.808 1.00 1.00 H new ATOM 0 HZ2 TRP A 6 7.044 -8.118 -5.578 1.00 1.00 H new ATOM 0 HZ3 TRP A 6 2.845 -7.684 -6.377 1.00 1.00 H new ATOM 0 HH2 TRP A 6 4.707 -7.946 -4.760 1.00 1.00 H new ATOM 97 N GLY A 7 5.470 -6.616 -14.352 1.00 1.00 N ATOM 98 CA GLY A 7 4.777 -6.465 -15.634 1.00 1.00 C ATOM 99 C GLY A 7 5.013 -5.076 -16.202 1.00 1.00 C ATOM 100 O GLY A 7 5.820 -4.310 -15.676 1.00 1.00 O ATOM 0 H GLY A 7 6.354 -7.121 -14.412 1.00 1.00 H new ATOM 0 HA2 GLY A 7 5.132 -7.218 -16.338 1.00 1.00 H new ATOM 0 HA3 GLY A 7 3.709 -6.633 -15.499 1.00 1.00 H new ATOM 104 N LEU A 8 4.318 -4.755 -17.291 1.00 1.00 N ATOM 105 CA LEU A 8 4.474 -3.451 -17.935 1.00 1.00 C ATOM 106 C LEU A 8 4.128 -2.330 -16.945 1.00 1.00 C ATOM 107 O LEU A 8 3.224 -2.467 -16.119 1.00 1.00 O ATOM 108 CB LEU A 8 3.573 -3.363 -19.184 1.00 1.00 C ATOM 109 CG LEU A 8 3.796 -4.578 -20.118 1.00 1.00 C ATOM 110 CD1 LEU A 8 2.838 -4.470 -21.320 1.00 1.00 C ATOM 111 CD2 LEU A 8 5.264 -4.633 -20.621 1.00 1.00 C ATOM 0 H LEU A 8 3.646 -5.374 -17.744 1.00 1.00 H new ATOM 0 HA LEU A 8 5.512 -3.333 -18.247 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.527 -3.321 -18.880 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.785 -2.441 -19.725 1.00 1.00 H new ATOM 0 HG LEU A 8 3.596 -5.492 -19.559 1.00 1.00 H new ATOM 0 HD11 LEU A 8 2.989 -5.322 -21.983 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.808 -4.464 -20.965 1.00 1.00 H new ATOM 0 HD13 LEU A 8 3.039 -3.547 -21.864 1.00 1.00 H new ATOM 0 HD21 LEU A 8 5.393 -5.496 -21.275 1.00 1.00 H new ATOM 0 HD22 LEU A 8 5.494 -3.722 -21.173 1.00 1.00 H new ATOM 0 HD23 LEU A 8 5.938 -4.720 -19.769 1.00 1.00 H new ATOM 123 N GLN A 9 4.877 -1.226 -17.038 1.00 1.00 N ATOM 124 CA GLN A 9 4.690 -0.067 -16.158 1.00 1.00 C ATOM 125 C GLN A 9 3.696 0.906 -16.777 1.00 1.00 C ATOM 126 O GLN A 9 4.048 1.642 -17.698 1.00 1.00 O ATOM 127 CB GLN A 9 6.039 0.651 -15.966 1.00 1.00 C ATOM 128 CG GLN A 9 7.050 -0.302 -15.309 1.00 1.00 C ATOM 129 CD GLN A 9 8.380 0.412 -15.054 1.00 1.00 C ATOM 130 OE1 GLN A 9 8.495 1.620 -15.272 1.00 1.00 O ATOM 131 NE2 GLN A 9 9.396 -0.268 -14.599 1.00 1.00 N ATOM 0 H GLN A 9 5.626 -1.111 -17.721 1.00 1.00 H new ATOM 0 HA GLN A 9 4.308 -0.411 -15.197 1.00 1.00 H new ATOM 0 HB2 GLN A 9 6.420 0.992 -16.929 1.00 1.00 H new ATOM 0 HB3 GLN A 9 5.904 1.537 -15.345 1.00 1.00 H new ATOM 0 HG2 GLN A 9 6.646 -0.676 -14.368 1.00 1.00 H new ATOM 0 HG3 GLN A 9 7.213 -1.167 -15.952 1.00 1.00 H new ATOM 0 HE21 GLN A 9 9.301 -1.267 -14.419 1.00 1.00 H new ATOM 0 HE22 GLN A 9 10.285 0.200 -14.424 1.00 1.00 H new ATOM 140 N ARG A 10 2.454 0.924 -16.256 1.00 1.00 N ATOM 141 CA ARG A 10 1.409 1.844 -16.756 1.00 1.00 C ATOM 142 C ARG A 10 0.721 2.514 -15.566 1.00 1.00 C ATOM 143 O ARG A 10 0.419 1.870 -14.562 1.00 1.00 O ATOM 144 CB ARG A 10 0.378 1.077 -17.611 1.00 1.00 C ATOM 145 CG ARG A 10 1.047 0.369 -18.823 1.00 1.00 C ATOM 146 CD ARG A 10 1.519 1.386 -19.884 1.00 1.00 C ATOM 147 NE ARG A 10 1.982 0.690 -21.085 1.00 1.00 N ATOM 148 CZ ARG A 10 2.446 1.360 -22.144 1.00 1.00 C ATOM 149 NH1 ARG A 10 2.462 2.669 -22.141 1.00 1.00 N ATOM 150 NH2 ARG A 10 2.884 0.711 -23.188 1.00 1.00 N ATOM 0 H ARG A 10 2.149 0.317 -15.495 1.00 1.00 H new ATOM 0 HA ARG A 10 1.869 2.606 -17.385 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -0.129 0.337 -16.992 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.384 1.769 -17.969 1.00 1.00 H new ATOM 0 HG2 ARG A 10 1.897 -0.219 -18.478 1.00 1.00 H new ATOM 0 HG3 ARG A 10 0.340 -0.327 -19.274 1.00 1.00 H new ATOM 0 HD2 ARG A 10 0.702 2.061 -20.139 1.00 1.00 H new ATOM 0 HD3 ARG A 10 2.324 1.999 -19.478 1.00 1.00 H new ATOM 0 HE ARG A 10 1.950 -0.329 -21.114 1.00 1.00 H new ATOM 0 HH11 ARG A 10 2.119 3.181 -21.328 1.00 1.00 H new ATOM 0 HH12 ARG A 10 2.817 3.177 -22.951 1.00 1.00 H new ATOM 0 HH21 ARG A 10 2.872 -0.309 -23.196 1.00 1.00 H new ATOM 0 HH22 ARG A 10 3.238 1.224 -23.996 1.00 1.00 H new ATOM 164 N ASP A 11 0.513 3.826 -15.683 1.00 1.00 N ATOM 165 CA ASP A 11 -0.096 4.608 -14.615 1.00 1.00 C ATOM 166 C ASP A 11 -1.530 4.145 -14.379 1.00 1.00 C ATOM 167 O ASP A 11 -2.141 4.418 -13.346 1.00 1.00 O ATOM 168 CB ASP A 11 -0.122 6.085 -15.059 1.00 1.00 C ATOM 169 CG ASP A 11 1.301 6.627 -15.202 1.00 1.00 C ATOM 170 OD1 ASP A 11 2.111 6.345 -14.334 1.00 1.00 O ATOM 171 OD2 ASP A 11 1.557 7.317 -16.175 1.00 1.00 O ATOM 0 H ASP A 11 0.760 4.368 -16.511 1.00 1.00 H new ATOM 0 HA ASP A 11 0.476 4.484 -13.696 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.649 6.176 -16.009 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -0.673 6.680 -14.330 1.00 1.00 H new ATOM 176 N ILE A 12 -2.059 3.483 -15.405 1.00 1.00 N ATOM 177 CA ILE A 12 -3.439 3.013 -15.395 1.00 1.00 C ATOM 178 C ILE A 12 -3.641 1.932 -14.322 1.00 1.00 C ATOM 179 O ILE A 12 -2.922 0.935 -14.282 1.00 1.00 O ATOM 180 CB ILE A 12 -3.797 2.444 -16.797 1.00 1.00 C ATOM 181 CG1 ILE A 12 -3.576 3.534 -17.883 1.00 1.00 C ATOM 182 CG2 ILE A 12 -5.274 1.993 -16.825 1.00 1.00 C ATOM 183 CD1 ILE A 12 -3.743 2.936 -19.293 1.00 1.00 C ATOM 0 H ILE A 12 -1.548 3.260 -16.259 1.00 1.00 H new ATOM 0 HA ILE A 12 -4.095 3.851 -15.159 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.153 1.589 -17.001 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -4.288 4.347 -17.740 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -2.579 3.962 -17.779 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -5.515 1.596 -17.811 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -5.432 1.219 -16.074 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -5.919 2.845 -16.610 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -3.585 3.714 -20.039 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -3.014 2.139 -19.439 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -4.749 2.531 -19.399 1.00 1.00 H new ATOM 195 N THR A 13 -4.678 2.127 -13.496 1.00 1.00 N ATOM 196 CA THR A 13 -5.063 1.165 -12.455 1.00 1.00 C ATOM 197 C THR A 13 -5.836 0.005 -13.123 1.00 1.00 C ATOM 198 O THR A 13 -5.420 -1.145 -12.986 1.00 1.00 O ATOM 199 CB THR A 13 -5.922 1.886 -11.361 1.00 1.00 C ATOM 200 OG1 THR A 13 -6.340 3.144 -11.865 1.00 1.00 O ATOM 201 CG2 THR A 13 -5.104 2.125 -10.075 1.00 1.00 C ATOM 0 H THR A 13 -5.273 2.955 -13.531 1.00 1.00 H new ATOM 0 HA THR A 13 -4.182 0.757 -11.959 1.00 1.00 H new ATOM 0 HB THR A 13 -6.776 1.252 -11.121 1.00 1.00 H new ATOM 0 HG1 THR A 13 -6.880 3.604 -11.189 1.00 1.00 H new ATOM 0 HG21 THR A 13 -5.728 2.627 -9.335 1.00 1.00 H new ATOM 0 HG22 THR A 13 -4.766 1.169 -9.676 1.00 1.00 H new ATOM 0 HG23 THR A 13 -4.240 2.749 -10.304 1.00 1.00 H new ATOM 209 N PRO A 14 -6.918 0.280 -13.871 1.00 1.00 N ATOM 210 CA PRO A 14 -7.703 -0.773 -14.605 1.00 1.00 C ATOM 211 C PRO A 14 -6.866 -1.965 -15.084 1.00 1.00 C ATOM 212 O PRO A 14 -7.353 -3.097 -15.107 1.00 1.00 O ATOM 213 CB PRO A 14 -8.225 0.028 -15.820 1.00 1.00 C ATOM 214 CG PRO A 14 -8.568 1.374 -15.232 1.00 1.00 C ATOM 215 CD PRO A 14 -7.540 1.618 -14.091 1.00 1.00 C ATOM 0 HA PRO A 14 -8.462 -1.231 -13.970 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -7.469 0.112 -16.601 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -9.096 -0.447 -16.270 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -8.505 2.157 -15.988 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -9.588 1.383 -14.847 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -6.796 2.362 -14.377 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -8.027 1.985 -13.187 1.00 1.00 H new ATOM 223 N ARG A 15 -5.600 -1.698 -15.469 1.00 1.00 N ATOM 224 CA ARG A 15 -4.687 -2.754 -15.962 1.00 1.00 C ATOM 225 C ARG A 15 -3.752 -3.186 -14.836 1.00 1.00 C ATOM 226 O ARG A 15 -3.318 -2.355 -14.039 1.00 1.00 O ATOM 227 CB ARG A 15 -3.871 -2.220 -17.154 1.00 1.00 C ATOM 228 CG ARG A 15 -2.994 -3.335 -17.752 1.00 1.00 C ATOM 229 CD ARG A 15 -2.199 -2.798 -18.949 1.00 1.00 C ATOM 230 NE ARG A 15 -1.483 -3.904 -19.595 1.00 1.00 N ATOM 231 CZ ARG A 15 -2.109 -4.781 -20.389 1.00 1.00 C ATOM 232 NH1 ARG A 15 -3.388 -4.658 -20.625 1.00 1.00 N ATOM 233 NH2 ARG A 15 -1.441 -5.764 -20.927 1.00 1.00 N ATOM 0 H ARG A 15 -5.187 -0.765 -15.449 1.00 1.00 H new ATOM 0 HA ARG A 15 -5.269 -3.615 -16.291 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -4.544 -1.830 -17.917 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.243 -1.390 -16.829 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -2.310 -3.716 -16.994 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.619 -4.171 -18.067 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -2.872 -2.320 -19.661 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -1.492 -2.037 -18.618 1.00 1.00 H new ATOM 0 HE ARG A 15 -0.481 -4.007 -19.435 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -3.913 -3.892 -20.204 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -3.862 -5.328 -21.231 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -0.443 -5.864 -20.742 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -1.917 -6.433 -21.532 1.00 1.00 H new ATOM 247 N LEU A 16 -3.465 -4.492 -14.766 1.00 1.00 N ATOM 248 CA LEU A 16 -2.589 -5.058 -13.717 1.00 1.00 C ATOM 249 C LEU A 16 -1.506 -5.953 -14.345 1.00 1.00 C ATOM 250 O LEU A 16 -1.708 -6.572 -15.386 1.00 1.00 O ATOM 251 CB LEU A 16 -3.449 -5.850 -12.676 1.00 1.00 C ATOM 252 CG LEU A 16 -4.651 -6.555 -13.349 1.00 1.00 C ATOM 253 CD1 LEU A 16 -4.170 -7.513 -14.464 1.00 1.00 C ATOM 254 CD2 LEU A 16 -5.443 -7.335 -12.277 1.00 1.00 C ATOM 0 H LEU A 16 -3.825 -5.184 -15.423 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.084 -4.245 -13.195 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.825 -6.591 -12.176 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -3.811 -5.167 -11.907 1.00 1.00 H new ATOM 0 HG LEU A 16 -5.296 -5.805 -13.807 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -5.031 -7.998 -14.924 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -3.626 -6.947 -15.220 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -3.513 -8.270 -14.035 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -6.292 -7.835 -12.744 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -4.794 -8.078 -11.814 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -5.803 -6.643 -11.515 1.00 1.00 H new ATOM 266 N GLY A 17 -0.343 -6.009 -13.702 1.00 1.00 N ATOM 267 CA GLY A 17 0.758 -6.838 -14.197 1.00 1.00 C ATOM 268 C GLY A 17 0.511 -8.297 -13.821 1.00 1.00 C ATOM 269 O GLY A 17 0.088 -8.589 -12.704 1.00 1.00 O ATOM 0 H GLY A 17 -0.137 -5.496 -12.845 1.00 1.00 H new ATOM 0 HA2 GLY A 17 0.842 -6.740 -15.279 1.00 1.00 H new ATOM 0 HA3 GLY A 17 1.702 -6.497 -13.772 1.00 1.00 H new ATOM 273 N ALA A 18 0.783 -9.215 -14.748 1.00 1.00 N ATOM 274 CA ALA A 18 0.598 -10.649 -14.487 1.00 1.00 C ATOM 275 C ALA A 18 1.379 -11.457 -15.517 1.00 1.00 C ATOM 276 O ALA A 18 0.836 -12.330 -16.195 1.00 1.00 O ATOM 277 CB ALA A 18 -0.895 -11.021 -14.524 1.00 1.00 C ATOM 0 H ALA A 18 1.130 -8.997 -15.682 1.00 1.00 H new ATOM 0 HA ALA A 18 0.975 -10.881 -13.491 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -1.009 -12.087 -14.328 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.430 -10.453 -13.763 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -1.304 -10.787 -15.507 1.00 1.00 H new ATOM 283 N ARG A 19 2.676 -11.147 -15.620 1.00 1.00 N ATOM 284 CA ARG A 19 3.570 -11.828 -16.558 1.00 1.00 C ATOM 285 C ARG A 19 3.935 -13.213 -16.016 1.00 1.00 C ATOM 286 O ARG A 19 4.369 -13.347 -14.872 1.00 1.00 O ATOM 287 CB ARG A 19 4.846 -10.984 -16.745 1.00 1.00 C ATOM 288 CG ARG A 19 5.763 -11.603 -17.819 1.00 1.00 C ATOM 289 CD ARG A 19 7.045 -10.765 -17.960 1.00 1.00 C ATOM 290 NE ARG A 19 7.853 -10.869 -16.743 1.00 1.00 N ATOM 291 CZ ARG A 19 9.020 -10.232 -16.621 1.00 1.00 C ATOM 292 NH1 ARG A 19 9.483 -9.502 -17.603 1.00 1.00 N ATOM 293 NH2 ARG A 19 9.708 -10.346 -15.518 1.00 1.00 N ATOM 0 H ARG A 19 3.130 -10.425 -15.061 1.00 1.00 H new ATOM 0 HA ARG A 19 3.069 -11.947 -17.519 1.00 1.00 H new ATOM 0 HB2 ARG A 19 4.576 -9.968 -17.033 1.00 1.00 H new ATOM 0 HB3 ARG A 19 5.383 -10.915 -15.799 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.016 -12.628 -17.547 1.00 1.00 H new ATOM 0 HG3 ARG A 19 5.240 -11.647 -18.774 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.621 -11.110 -18.819 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.788 -9.722 -18.147 1.00 1.00 H new ATOM 0 HE ARG A 19 7.516 -11.442 -15.970 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.952 -9.416 -18.469 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.375 -9.018 -17.502 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.354 -10.920 -14.753 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.600 -9.861 -15.421 1.00 1.00 H new ATOM 307 N LEU A 20 3.763 -14.240 -16.851 1.00 1.00 N ATOM 308 CA LEU A 20 4.078 -15.625 -16.473 1.00 1.00 C ATOM 309 C LEU A 20 5.506 -15.963 -16.885 1.00 1.00 C ATOM 310 O LEU A 20 6.003 -15.439 -17.882 1.00 1.00 O ATOM 311 CB LEU A 20 3.109 -16.586 -17.189 1.00 1.00 C ATOM 312 CG LEU A 20 1.640 -16.180 -16.943 1.00 1.00 C ATOM 313 CD1 LEU A 20 0.718 -17.155 -17.695 1.00 1.00 C ATOM 314 CD2 LEU A 20 1.300 -16.195 -15.431 1.00 1.00 C ATOM 0 H LEU A 20 3.405 -14.140 -17.801 1.00 1.00 H new ATOM 0 HA LEU A 20 3.976 -15.731 -15.393 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.315 -16.585 -18.259 1.00 1.00 H new ATOM 0 HB3 LEU A 20 3.273 -17.604 -16.834 1.00 1.00 H new ATOM 0 HG LEU A 20 1.491 -15.164 -17.310 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -0.322 -16.875 -17.527 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.937 -17.113 -18.762 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.885 -18.168 -17.330 1.00 1.00 H new ATOM 0 HD21 LEU A 20 0.259 -15.905 -15.289 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.454 -17.198 -15.033 1.00 1.00 H new ATOM 0 HD23 LEU A 20 1.947 -15.493 -14.906 1.00 1.00 H new ATOM 326 N VAL A 21 6.151 -16.865 -16.126 1.00 1.00 N ATOM 327 CA VAL A 21 7.527 -17.311 -16.425 1.00 1.00 C ATOM 328 C VAL A 21 7.456 -18.710 -17.038 1.00 1.00 C ATOM 329 O VAL A 21 6.706 -19.566 -16.570 1.00 1.00 O ATOM 330 CB VAL A 21 8.383 -17.302 -15.137 1.00 1.00 C ATOM 331 CG1 VAL A 21 7.821 -18.290 -14.095 1.00 1.00 C ATOM 332 CG2 VAL A 21 9.843 -17.672 -15.464 1.00 1.00 C ATOM 0 H VAL A 21 5.743 -17.301 -15.299 1.00 1.00 H new ATOM 0 HA VAL A 21 8.001 -16.632 -17.134 1.00 1.00 H new ATOM 0 HB VAL A 21 8.350 -16.296 -14.718 1.00 1.00 H new ATOM 0 HG11 VAL A 21 8.441 -18.265 -13.199 1.00 1.00 H new ATOM 0 HG12 VAL A 21 6.800 -18.007 -13.839 1.00 1.00 H new ATOM 0 HG13 VAL A 21 7.824 -19.298 -14.510 1.00 1.00 H new ATOM 0 HG21 VAL A 21 10.435 -17.662 -14.549 1.00 1.00 H new ATOM 0 HG22 VAL A 21 9.876 -18.668 -15.906 1.00 1.00 H new ATOM 0 HG23 VAL A 21 10.253 -16.948 -16.169 1.00 1.00 H new ATOM 342 N GLN A 22 8.236 -18.933 -18.095 1.00 1.00 N ATOM 343 CA GLN A 22 8.260 -20.228 -18.782 1.00 1.00 C ATOM 344 C GLN A 22 9.060 -21.245 -17.957 1.00 1.00 C ATOM 345 O GLN A 22 10.181 -20.963 -17.532 1.00 1.00 O ATOM 346 CB GLN A 22 8.898 -20.048 -20.180 1.00 1.00 C ATOM 347 CG GLN A 22 8.745 -21.328 -21.039 1.00 1.00 C ATOM 348 CD GLN A 22 7.279 -21.563 -21.407 1.00 1.00 C ATOM 349 OE1 GLN A 22 6.700 -22.585 -21.037 1.00 1.00 O ATOM 350 NE2 GLN A 22 6.644 -20.672 -22.118 1.00 1.00 N ATOM 0 H GLN A 22 8.861 -18.234 -18.496 1.00 1.00 H new ATOM 0 HA GLN A 22 7.242 -20.602 -18.896 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.429 -19.207 -20.690 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.955 -19.805 -20.071 1.00 1.00 H new ATOM 0 HG2 GLN A 22 9.342 -21.236 -21.946 1.00 1.00 H new ATOM 0 HG3 GLN A 22 9.129 -22.188 -20.490 1.00 1.00 H new ATOM 0 HE21 GLN A 22 7.125 -19.826 -22.424 1.00 1.00 H new ATOM 0 HE22 GLN A 22 5.667 -20.821 -22.368 1.00 1.00 H new ATOM 359 N GLU A 23 8.477 -22.427 -17.747 1.00 1.00 N ATOM 360 CA GLU A 23 9.133 -23.491 -16.984 1.00 1.00 C ATOM 361 C GLU A 23 8.328 -24.786 -17.124 1.00 1.00 C ATOM 362 O GLU A 23 7.223 -24.898 -16.593 1.00 1.00 O ATOM 363 CB GLU A 23 9.240 -23.087 -15.498 1.00 1.00 C ATOM 364 CG GLU A 23 10.039 -24.141 -14.705 1.00 1.00 C ATOM 365 CD GLU A 23 10.206 -23.710 -13.244 1.00 1.00 C ATOM 366 OE1 GLU A 23 9.515 -22.796 -12.822 1.00 1.00 O ATOM 367 OE2 GLU A 23 11.022 -24.313 -12.565 1.00 1.00 O ATOM 0 H GLU A 23 7.550 -22.672 -18.095 1.00 1.00 H new ATOM 0 HA GLU A 23 10.139 -23.650 -17.373 1.00 1.00 H new ATOM 0 HB2 GLU A 23 9.726 -22.115 -15.414 1.00 1.00 H new ATOM 0 HB3 GLU A 23 8.242 -22.982 -15.071 1.00 1.00 H new ATOM 0 HG2 GLU A 23 9.526 -25.102 -14.749 1.00 1.00 H new ATOM 0 HG3 GLU A 23 11.019 -24.281 -15.162 1.00 1.00 H new ATOM 374 N GLY A 24 8.883 -25.760 -17.850 1.00 1.00 N ATOM 375 CA GLY A 24 8.207 -27.036 -18.065 1.00 1.00 C ATOM 376 C GLY A 24 7.064 -26.850 -19.045 1.00 1.00 C ATOM 377 O GLY A 24 6.989 -25.827 -19.725 1.00 1.00 O ATOM 0 H GLY A 24 9.797 -25.687 -18.297 1.00 1.00 H new ATOM 0 HA2 GLY A 24 8.913 -27.772 -18.450 1.00 1.00 H new ATOM 0 HA3 GLY A 24 7.828 -27.422 -17.119 1.00 1.00 H new ATOM 381 N ASN A 25 6.169 -27.837 -19.127 1.00 1.00 N ATOM 382 CA ASN A 25 5.030 -27.758 -20.048 1.00 1.00 C ATOM 383 C ASN A 25 3.864 -27.041 -19.372 1.00 1.00 C ATOM 384 O ASN A 25 2.743 -27.045 -19.882 1.00 1.00 O ATOM 385 CB ASN A 25 4.596 -29.172 -20.460 1.00 1.00 C ATOM 386 CG ASN A 25 5.739 -29.888 -21.172 1.00 1.00 C ATOM 387 OD1 ASN A 25 6.349 -30.797 -20.610 1.00 1.00 O ATOM 388 ND2 ASN A 25 6.064 -29.531 -22.384 1.00 1.00 N ATOM 0 H ASN A 25 6.208 -28.693 -18.573 1.00 1.00 H new ATOM 0 HA ASN A 25 5.329 -27.199 -20.935 1.00 1.00 H new ATOM 0 HB2 ASN A 25 4.295 -29.739 -19.579 1.00 1.00 H new ATOM 0 HB3 ASN A 25 3.727 -29.117 -21.116 1.00 1.00 H new ATOM 0 HD21 ASN A 25 6.826 -30.006 -22.869 1.00 1.00 H new ATOM 0 HD22 ASN A 25 5.556 -28.777 -22.847 1.00 1.00 H new ATOM 395 N GLN A 26 4.142 -26.432 -18.211 1.00 1.00 N ATOM 396 CA GLN A 26 3.128 -25.702 -17.426 1.00 1.00 C ATOM 397 C GLN A 26 3.656 -24.313 -17.065 1.00 1.00 C ATOM 398 O GLN A 26 4.833 -24.150 -16.745 1.00 1.00 O ATOM 399 CB GLN A 26 2.824 -26.481 -16.136 1.00 1.00 C ATOM 400 CG GLN A 26 2.214 -27.847 -16.486 1.00 1.00 C ATOM 401 CD GLN A 26 1.915 -28.632 -15.213 1.00 1.00 C ATOM 402 OE1 GLN A 26 2.829 -28.972 -14.461 1.00 1.00 O ATOM 403 NE2 GLN A 26 0.680 -28.943 -14.925 1.00 1.00 N ATOM 0 H GLN A 26 5.070 -26.429 -17.788 1.00 1.00 H new ATOM 0 HA GLN A 26 2.218 -25.601 -18.018 1.00 1.00 H new ATOM 0 HB2 GLN A 26 3.738 -26.618 -15.559 1.00 1.00 H new ATOM 0 HB3 GLN A 26 2.134 -25.913 -15.511 1.00 1.00 H new ATOM 0 HG2 GLN A 26 1.298 -27.708 -17.060 1.00 1.00 H new ATOM 0 HG3 GLN A 26 2.902 -28.410 -17.116 1.00 1.00 H new ATOM 0 HE21 GLN A 26 -0.076 -28.661 -15.549 1.00 1.00 H new ATOM 0 HE22 GLN A 26 0.471 -29.468 -14.076 1.00 1.00 H new ATOM 412 N LEU A 27 2.770 -23.313 -17.114 1.00 1.00 N ATOM 413 CA LEU A 27 3.134 -21.929 -16.788 1.00 1.00 C ATOM 414 C LEU A 27 2.904 -21.682 -15.293 1.00 1.00 C ATOM 415 O LEU A 27 1.808 -21.905 -14.780 1.00 1.00 O ATOM 416 CB LEU A 27 2.269 -20.955 -17.617 1.00 1.00 C ATOM 417 CG LEU A 27 2.334 -21.304 -19.124 1.00 1.00 C ATOM 418 CD1 LEU A 27 1.447 -20.319 -19.907 1.00 1.00 C ATOM 419 CD2 LEU A 27 3.792 -21.233 -19.655 1.00 1.00 C ATOM 0 H LEU A 27 1.792 -23.436 -17.377 1.00 1.00 H new ATOM 0 HA LEU A 27 4.185 -21.763 -17.025 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.235 -20.998 -17.274 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.614 -19.933 -17.461 1.00 1.00 H new ATOM 0 HG LEU A 27 1.975 -22.324 -19.262 1.00 1.00 H new ATOM 0 HD11 LEU A 27 1.488 -20.558 -20.970 1.00 1.00 H new ATOM 0 HD12 LEU A 27 0.418 -20.398 -19.556 1.00 1.00 H new ATOM 0 HD13 LEU A 27 1.807 -19.302 -19.750 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.805 -21.483 -20.716 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.182 -20.225 -19.515 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.414 -21.941 -19.107 1.00 1.00 H new ATOM 431 N HIS A 28 3.951 -21.226 -14.603 1.00 1.00 N ATOM 432 CA HIS A 28 3.883 -20.953 -13.168 1.00 1.00 C ATOM 433 C HIS A 28 3.285 -19.567 -12.910 1.00 1.00 C ATOM 434 O HIS A 28 3.888 -18.553 -13.265 1.00 1.00 O ATOM 435 CB HIS A 28 5.318 -21.008 -12.593 1.00 1.00 C ATOM 436 CG HIS A 28 5.848 -22.422 -12.644 1.00 1.00 C ATOM 437 ND1 HIS A 28 6.984 -22.811 -11.949 1.00 1.00 N ATOM 438 CD2 HIS A 28 5.404 -23.549 -13.293 1.00 1.00 C ATOM 439 CE1 HIS A 28 7.181 -24.120 -12.193 1.00 1.00 C ATOM 440 NE2 HIS A 28 6.247 -24.618 -13.007 1.00 1.00 N ATOM 0 H HIS A 28 4.863 -21.037 -15.020 1.00 1.00 H new ATOM 0 HA HIS A 28 3.247 -21.697 -12.688 1.00 1.00 H new ATOM 0 HB2 HIS A 28 5.971 -20.347 -13.162 1.00 1.00 H new ATOM 0 HB3 HIS A 28 5.319 -20.649 -11.564 1.00 1.00 H new ATOM 0 HD2 HIS A 28 4.532 -23.597 -13.929 1.00 1.00 H new ATOM 0 HE1 HIS A 28 7.995 -24.697 -11.781 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.168 -25.577 -13.346 1.00 1.00 H new ATOM 449 N TYR A 29 2.113 -19.532 -12.254 1.00 1.00 N ATOM 450 CA TYR A 29 1.441 -18.268 -11.900 1.00 1.00 C ATOM 451 C TYR A 29 1.710 -17.974 -10.421 1.00 1.00 C ATOM 452 O TYR A 29 1.161 -18.627 -9.533 1.00 1.00 O ATOM 453 CB TYR A 29 -0.081 -18.382 -12.168 1.00 1.00 C ATOM 454 CG TYR A 29 -0.826 -17.187 -11.556 1.00 1.00 C ATOM 455 CD1 TYR A 29 -0.614 -15.901 -12.073 1.00 1.00 C ATOM 456 CD2 TYR A 29 -1.702 -17.360 -10.462 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.273 -14.800 -11.512 1.00 1.00 C ATOM 458 CE2 TYR A 29 -2.354 -16.254 -9.905 1.00 1.00 C ATOM 459 CZ TYR A 29 -2.142 -14.975 -10.429 1.00 1.00 C ATOM 460 OH TYR A 29 -2.783 -13.886 -9.876 1.00 1.00 O ATOM 0 H TYR A 29 1.609 -20.367 -11.957 1.00 1.00 H new ATOM 0 HA TYR A 29 1.828 -17.452 -12.510 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.265 -18.422 -13.242 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.462 -19.311 -11.745 1.00 1.00 H new ATOM 0 HD1 TYR A 29 0.059 -15.759 -12.906 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -1.869 -18.346 -10.055 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -1.110 -13.812 -11.917 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -3.023 -16.389 -9.068 1.00 1.00 H new ATOM 0 HH TYR A 29 -3.350 -14.182 -9.134 1.00 1.00 H new ATOM 470 N LEU A 30 2.564 -16.979 -10.174 1.00 1.00 N ATOM 471 CA LEU A 30 2.930 -16.567 -8.812 1.00 1.00 C ATOM 472 C LEU A 30 2.040 -15.395 -8.370 1.00 1.00 C ATOM 473 O LEU A 30 2.062 -14.325 -8.979 1.00 1.00 O ATOM 474 CB LEU A 30 4.428 -16.127 -8.802 1.00 1.00 C ATOM 475 CG LEU A 30 5.409 -17.335 -8.678 1.00 1.00 C ATOM 476 CD1 LEU A 30 5.300 -18.042 -7.291 1.00 1.00 C ATOM 477 CD2 LEU A 30 5.160 -18.346 -9.816 1.00 1.00 C ATOM 0 H LEU A 30 3.021 -16.436 -10.907 1.00 1.00 H new ATOM 0 HA LEU A 30 2.787 -17.399 -8.123 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.648 -15.578 -9.718 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.596 -15.441 -7.972 1.00 1.00 H new ATOM 0 HG LEU A 30 6.422 -16.941 -8.762 1.00 1.00 H new ATOM 0 HD11 LEU A 30 6.001 -18.876 -7.252 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.538 -17.330 -6.500 1.00 1.00 H new ATOM 0 HD13 LEU A 30 4.285 -18.414 -7.151 1.00 1.00 H new ATOM 0 HD21 LEU A 30 5.851 -19.183 -9.717 1.00 1.00 H new ATOM 0 HD22 LEU A 30 4.135 -18.713 -9.759 1.00 1.00 H new ATOM 0 HD23 LEU A 30 5.317 -17.857 -10.778 1.00 1.00 H new ATOM 489 N ALA A 31 1.268 -15.609 -7.309 1.00 1.00 N ATOM 490 CA ALA A 31 0.380 -14.577 -6.782 1.00 1.00 C ATOM 491 C ALA A 31 1.180 -13.355 -6.326 1.00 1.00 C ATOM 492 O ALA A 31 0.733 -12.216 -6.464 1.00 1.00 O ATOM 493 CB ALA A 31 -0.402 -15.149 -5.593 1.00 1.00 C ATOM 0 H ALA A 31 1.239 -16.490 -6.796 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.307 -14.266 -7.569 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.068 -14.384 -5.194 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.990 -16.006 -5.922 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.295 -15.464 -4.817 1.00 1.00 H new ATOM 499 N ASP A 32 2.360 -13.614 -5.765 1.00 1.00 N ATOM 500 CA ASP A 32 3.233 -12.551 -5.263 1.00 1.00 C ATOM 501 C ASP A 32 3.778 -11.703 -6.414 1.00 1.00 C ATOM 502 O ASP A 32 4.367 -10.647 -6.183 1.00 1.00 O ATOM 503 CB ASP A 32 4.407 -13.179 -4.494 1.00 1.00 C ATOM 504 CG ASP A 32 3.898 -13.960 -3.281 1.00 1.00 C ATOM 505 OD1 ASP A 32 2.841 -13.616 -2.776 1.00 1.00 O ATOM 506 OD2 ASP A 32 4.576 -14.889 -2.877 1.00 1.00 O ATOM 0 H ASP A 32 2.736 -14.555 -5.646 1.00 1.00 H new ATOM 0 HA ASP A 32 2.652 -11.907 -4.603 1.00 1.00 H new ATOM 0 HB2 ASP A 32 4.967 -13.843 -5.153 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.095 -12.399 -4.169 1.00 1.00 H new ATOM 511 N ARG A 33 3.585 -12.177 -7.654 1.00 1.00 N ATOM 512 CA ARG A 33 4.063 -11.472 -8.864 1.00 1.00 C ATOM 513 C ARG A 33 2.881 -10.934 -9.673 1.00 1.00 C ATOM 514 O ARG A 33 2.724 -11.248 -10.854 1.00 1.00 O ATOM 515 CB ARG A 33 4.894 -12.441 -9.736 1.00 1.00 C ATOM 516 CG ARG A 33 6.112 -13.026 -8.952 1.00 1.00 C ATOM 517 CD ARG A 33 7.258 -12.001 -8.829 1.00 1.00 C ATOM 518 NE ARG A 33 7.685 -11.558 -10.158 1.00 1.00 N ATOM 519 CZ ARG A 33 8.628 -10.626 -10.321 1.00 1.00 C ATOM 520 NH1 ARG A 33 9.189 -10.061 -9.283 1.00 1.00 N ATOM 521 NH2 ARG A 33 8.988 -10.273 -11.524 1.00 1.00 N ATOM 0 H ARG A 33 3.098 -13.051 -7.851 1.00 1.00 H new ATOM 0 HA ARG A 33 4.686 -10.632 -8.557 1.00 1.00 H new ATOM 0 HB2 ARG A 33 4.258 -13.256 -10.081 1.00 1.00 H new ATOM 0 HB3 ARG A 33 5.250 -11.917 -10.623 1.00 1.00 H new ATOM 0 HG2 ARG A 33 5.790 -13.333 -7.957 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.476 -13.919 -9.459 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.928 -11.145 -8.241 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.099 -12.447 -8.299 1.00 1.00 H new ATOM 0 HE ARG A 33 7.250 -11.973 -10.982 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.907 -10.331 -8.341 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.908 -9.350 -9.416 1.00 1.00 H new ATOM 0 HH21 ARG A 33 8.550 -10.708 -12.336 1.00 1.00 H new ATOM 0 HH22 ARG A 33 9.708 -9.562 -11.653 1.00 1.00 H new ATOM 535 N ALA A 34 2.073 -10.087 -9.034 1.00 1.00 N ATOM 536 CA ALA A 34 0.923 -9.470 -9.703 1.00 1.00 C ATOM 537 C ALA A 34 0.340 -8.377 -8.815 1.00 1.00 C ATOM 538 O ALA A 34 0.806 -8.168 -7.695 1.00 1.00 O ATOM 539 CB ALA A 34 -0.147 -10.512 -10.043 1.00 1.00 C ATOM 0 H ALA A 34 2.191 -9.812 -8.059 1.00 1.00 H new ATOM 0 HA ALA A 34 1.264 -9.030 -10.640 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.986 -10.023 -10.538 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.277 -11.266 -10.707 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.494 -10.989 -9.127 1.00 1.00 H new ATOM 545 N SER A 35 -0.677 -7.669 -9.331 1.00 1.00 N ATOM 546 CA SER A 35 -1.335 -6.570 -8.596 1.00 1.00 C ATOM 547 C SER A 35 -2.856 -6.702 -8.680 1.00 1.00 C ATOM 548 O SER A 35 -3.409 -6.816 -9.774 1.00 1.00 O ATOM 549 CB SER A 35 -0.917 -5.239 -9.229 1.00 1.00 C ATOM 550 OG SER A 35 -1.538 -4.170 -8.526 1.00 1.00 O ATOM 0 H SER A 35 -1.065 -7.837 -10.259 1.00 1.00 H new ATOM 0 HA SER A 35 -1.035 -6.612 -7.549 1.00 1.00 H new ATOM 0 HB2 SER A 35 0.167 -5.131 -9.195 1.00 1.00 H new ATOM 0 HB3 SER A 35 -1.207 -5.216 -10.280 1.00 1.00 H new ATOM 0 HG SER A 35 -1.272 -3.316 -8.927 1.00 1.00 H new ATOM 556 N ILE A 36 -3.537 -6.671 -7.531 1.00 1.00 N ATOM 557 CA ILE A 36 -5.007 -6.769 -7.500 1.00 1.00 C ATOM 558 C ILE A 36 -5.624 -5.386 -7.702 1.00 1.00 C ATOM 559 O ILE A 36 -5.051 -4.379 -7.283 1.00 1.00 O ATOM 560 CB ILE A 36 -5.470 -7.374 -6.150 1.00 1.00 C ATOM 561 CG1 ILE A 36 -4.884 -6.553 -4.968 1.00 1.00 C ATOM 562 CG2 ILE A 36 -5.000 -8.838 -6.054 1.00 1.00 C ATOM 563 CD1 ILE A 36 -5.470 -7.038 -3.634 1.00 1.00 C ATOM 0 H ILE A 36 -3.101 -6.580 -6.613 1.00 1.00 H new ATOM 0 HA ILE A 36 -5.339 -7.423 -8.307 1.00 1.00 H new ATOM 0 HB ILE A 36 -6.558 -7.339 -6.097 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -3.799 -6.651 -4.952 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -5.107 -5.495 -5.107 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -5.326 -9.263 -5.105 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -5.429 -9.412 -6.875 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -3.912 -8.876 -6.114 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -5.049 -6.452 -2.817 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -6.553 -6.916 -3.647 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -5.225 -8.090 -3.490 1.00 1.00 H new ATOM 575 N THR A 37 -6.802 -5.344 -8.344 1.00 1.00 N ATOM 576 CA THR A 37 -7.524 -4.084 -8.606 1.00 1.00 C ATOM 577 C THR A 37 -8.993 -4.251 -8.229 1.00 1.00 C ATOM 578 O THR A 37 -9.611 -5.261 -8.564 1.00 1.00 O ATOM 579 CB THR A 37 -7.412 -3.726 -10.097 1.00 1.00 C ATOM 580 OG1 THR A 37 -7.995 -4.763 -10.875 1.00 1.00 O ATOM 581 CG2 THR A 37 -5.938 -3.568 -10.479 1.00 1.00 C ATOM 0 H THR A 37 -7.280 -6.174 -8.695 1.00 1.00 H new ATOM 0 HA THR A 37 -7.085 -3.284 -8.009 1.00 1.00 H new ATOM 0 HB THR A 37 -7.935 -2.789 -10.286 1.00 1.00 H new ATOM 0 HG1 THR A 37 -8.601 -5.291 -10.315 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.861 -3.314 -11.536 1.00 1.00 H new ATOM 0 HG22 THR A 37 -5.491 -2.774 -9.882 1.00 1.00 H new ATOM 0 HG23 THR A 37 -5.411 -4.504 -10.291 1.00 1.00 H new ATOM 589 N GLY A 38 -9.551 -3.267 -7.528 1.00 1.00 N ATOM 590 CA GLY A 38 -10.951 -3.337 -7.115 1.00 1.00 C ATOM 591 C GLY A 38 -11.201 -4.559 -6.231 1.00 1.00 C ATOM 592 O GLY A 38 -11.300 -5.681 -6.726 1.00 1.00 O ATOM 0 H GLY A 38 -9.062 -2.421 -7.236 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -11.220 -2.430 -6.573 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.592 -3.383 -7.996 1.00 1.00 H new ATOM 596 N LYS A 39 -11.303 -4.335 -4.921 1.00 1.00 N ATOM 597 CA LYS A 39 -11.543 -5.428 -3.979 1.00 1.00 C ATOM 598 C LYS A 39 -12.851 -6.147 -4.328 1.00 1.00 C ATOM 599 O LYS A 39 -13.895 -5.518 -4.493 1.00 1.00 O ATOM 600 CB LYS A 39 -11.626 -4.875 -2.546 1.00 1.00 C ATOM 601 CG LYS A 39 -10.280 -4.251 -2.145 1.00 1.00 C ATOM 602 CD LYS A 39 -10.376 -3.676 -0.722 1.00 1.00 C ATOM 603 CE LYS A 39 -9.050 -3.017 -0.335 1.00 1.00 C ATOM 604 NZ LYS A 39 -7.957 -4.029 -0.390 1.00 1.00 N ATOM 0 H LYS A 39 -11.224 -3.414 -4.490 1.00 1.00 H new ATOM 0 HA LYS A 39 -10.717 -6.136 -4.046 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -12.417 -4.127 -2.481 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -11.886 -5.675 -1.853 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -9.492 -5.003 -2.191 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -10.010 -3.463 -2.848 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -11.184 -2.946 -0.669 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -10.617 -4.470 -0.015 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -8.830 -2.192 -1.013 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -9.120 -2.596 0.668 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -7.138 -3.685 0.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -8.291 -4.924 0.021 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -7.678 -4.186 -1.380 1.00 1.00 H new ATOM 618 N PHE A 40 -12.775 -7.479 -4.420 1.00 1.00 N ATOM 619 CA PHE A 40 -13.924 -8.326 -4.726 1.00 1.00 C ATOM 620 C PHE A 40 -14.534 -8.863 -3.429 1.00 1.00 C ATOM 621 O PHE A 40 -13.824 -9.297 -2.522 1.00 1.00 O ATOM 622 CB PHE A 40 -13.455 -9.511 -5.593 1.00 1.00 C ATOM 623 CG PHE A 40 -12.745 -8.977 -6.834 1.00 1.00 C ATOM 624 CD1 PHE A 40 -13.483 -8.641 -7.982 1.00 1.00 C ATOM 625 CD2 PHE A 40 -11.347 -8.810 -6.835 1.00 1.00 C ATOM 626 CE1 PHE A 40 -12.829 -8.147 -9.117 1.00 1.00 C ATOM 627 CE2 PHE A 40 -10.699 -8.316 -7.971 1.00 1.00 C ATOM 628 CZ PHE A 40 -11.438 -7.985 -9.113 1.00 1.00 C ATOM 0 H PHE A 40 -11.908 -7.999 -4.283 1.00 1.00 H new ATOM 0 HA PHE A 40 -14.673 -7.743 -5.261 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -12.782 -10.151 -5.022 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -14.308 -10.124 -5.883 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -14.556 -8.764 -7.989 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -10.774 -9.064 -5.956 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -13.399 -7.890 -9.998 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -9.626 -8.190 -7.968 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.936 -7.605 -9.990 1.00 1.00 H new ATOM 638 N SER A 41 -15.860 -8.827 -3.366 1.00 1.00 N ATOM 639 CA SER A 41 -16.603 -9.305 -2.208 1.00 1.00 C ATOM 640 C SER A 41 -16.459 -10.817 -2.061 1.00 1.00 C ATOM 641 O SER A 41 -16.001 -11.504 -2.974 1.00 1.00 O ATOM 642 CB SER A 41 -18.086 -8.951 -2.380 1.00 1.00 C ATOM 643 OG SER A 41 -18.217 -7.543 -2.525 1.00 1.00 O ATOM 0 H SER A 41 -16.449 -8.466 -4.116 1.00 1.00 H new ATOM 0 HA SER A 41 -16.203 -8.828 -1.313 1.00 1.00 H new ATOM 0 HB2 SER A 41 -18.494 -9.458 -3.254 1.00 1.00 H new ATOM 0 HB3 SER A 41 -18.657 -9.294 -1.517 1.00 1.00 H new ATOM 0 HG SER A 41 -19.163 -7.312 -2.637 1.00 1.00 H new ATOM 649 N ASP A 42 -16.873 -11.323 -0.906 1.00 1.00 N ATOM 650 CA ASP A 42 -16.818 -12.754 -0.625 1.00 1.00 C ATOM 651 C ASP A 42 -17.744 -13.524 -1.568 1.00 1.00 C ATOM 652 O ASP A 42 -17.567 -14.721 -1.749 1.00 1.00 O ATOM 653 CB ASP A 42 -17.207 -13.017 0.839 1.00 1.00 C ATOM 654 CG ASP A 42 -17.053 -14.501 1.182 1.00 1.00 C ATOM 655 OD1 ASP A 42 -16.049 -15.076 0.794 1.00 1.00 O ATOM 656 OD2 ASP A 42 -17.940 -15.036 1.826 1.00 1.00 O ATOM 0 H ASP A 42 -17.253 -10.761 -0.144 1.00 1.00 H new ATOM 0 HA ASP A 42 -15.798 -13.102 -0.788 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -16.580 -12.419 1.500 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -18.237 -12.705 1.008 1.00 1.00 H new ATOM 661 N ALA A 43 -18.733 -12.848 -2.168 1.00 1.00 N ATOM 662 CA ALA A 43 -19.665 -13.509 -3.110 1.00 1.00 C ATOM 663 C ALA A 43 -19.143 -13.398 -4.551 1.00 1.00 C ATOM 664 O ALA A 43 -19.665 -14.035 -5.465 1.00 1.00 O ATOM 665 CB ALA A 43 -21.050 -12.863 -3.008 1.00 1.00 C ATOM 0 H ALA A 43 -18.913 -11.854 -2.024 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.738 -14.564 -2.846 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.732 -13.353 -3.703 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -21.428 -12.971 -1.991 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.977 -11.804 -3.257 1.00 1.00 H new ATOM 671 N GLU A 44 -18.114 -12.563 -4.739 1.00 1.00 N ATOM 672 CA GLU A 44 -17.498 -12.319 -6.061 1.00 1.00 C ATOM 673 C GLU A 44 -16.115 -12.968 -6.173 1.00 1.00 C ATOM 674 O GLU A 44 -15.659 -13.254 -7.281 1.00 1.00 O ATOM 675 CB GLU A 44 -17.365 -10.797 -6.271 1.00 1.00 C ATOM 676 CG GLU A 44 -18.758 -10.130 -6.276 1.00 1.00 C ATOM 677 CD GLU A 44 -19.577 -10.582 -7.487 1.00 1.00 C ATOM 678 OE1 GLU A 44 -19.072 -10.473 -8.593 1.00 1.00 O ATOM 679 OE2 GLU A 44 -20.695 -11.032 -7.290 1.00 1.00 O ATOM 0 H GLU A 44 -17.680 -12.034 -3.982 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.137 -12.763 -6.825 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -16.752 -10.367 -5.479 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.856 -10.597 -7.214 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -19.289 -10.382 -5.358 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -18.646 -9.046 -6.292 1.00 1.00 H new ATOM 686 N CYS A 45 -15.440 -13.201 -5.048 1.00 1.00 N ATOM 687 CA CYS A 45 -14.101 -13.822 -5.081 1.00 1.00 C ATOM 688 C CYS A 45 -14.211 -15.315 -5.486 1.00 1.00 C ATOM 689 O CYS A 45 -13.432 -15.783 -6.317 1.00 1.00 O ATOM 690 CB CYS A 45 -13.385 -13.649 -3.691 1.00 1.00 C ATOM 691 SG CYS A 45 -11.721 -12.937 -3.888 1.00 1.00 S ATOM 0 H CYS A 45 -15.784 -12.977 -4.114 1.00 1.00 H new ATOM 0 HA CYS A 45 -13.492 -13.319 -5.832 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -13.985 -13.005 -3.048 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -13.312 -14.616 -3.194 1.00 1.00 H new ATOM 0 HG CYS A 45 -11.163 -12.807 -2.721 1.00 1.00 H new ATOM 697 N PRO A 46 -15.143 -16.067 -4.919 1.00 1.00 N ATOM 698 CA PRO A 46 -15.311 -17.525 -5.249 1.00 1.00 C ATOM 699 C PRO A 46 -15.576 -17.780 -6.738 1.00 1.00 C ATOM 700 O PRO A 46 -14.941 -18.631 -7.353 1.00 1.00 O ATOM 701 CB PRO A 46 -16.534 -17.957 -4.384 1.00 1.00 C ATOM 702 CG PRO A 46 -16.560 -16.962 -3.264 1.00 1.00 C ATOM 703 CD PRO A 46 -16.138 -15.637 -3.915 1.00 1.00 C ATOM 0 HA PRO A 46 -14.403 -18.090 -5.038 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -17.459 -17.932 -4.961 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.418 -18.974 -4.011 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -17.554 -16.888 -2.822 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -15.876 -17.247 -2.465 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -16.983 -15.126 -4.376 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -15.707 -14.948 -3.188 1.00 1.00 H new ATOM 711 N LYS A 47 -16.549 -17.060 -7.289 1.00 1.00 N ATOM 712 CA LYS A 47 -16.939 -17.239 -8.685 1.00 1.00 C ATOM 713 C LYS A 47 -15.770 -16.956 -9.629 1.00 1.00 C ATOM 714 O LYS A 47 -15.556 -17.692 -10.589 1.00 1.00 O ATOM 715 CB LYS A 47 -18.127 -16.297 -9.013 1.00 1.00 C ATOM 716 CG LYS A 47 -18.778 -16.635 -10.403 1.00 1.00 C ATOM 717 CD LYS A 47 -19.834 -17.758 -10.264 1.00 1.00 C ATOM 718 CE LYS A 47 -20.393 -18.124 -11.645 1.00 1.00 C ATOM 719 NZ LYS A 47 -21.029 -16.927 -12.263 1.00 1.00 N ATOM 0 H LYS A 47 -17.082 -16.347 -6.791 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.240 -18.277 -8.829 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -18.881 -16.378 -8.230 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -17.780 -15.264 -9.016 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.245 -15.741 -10.816 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -18.004 -16.944 -11.105 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -19.385 -18.636 -9.800 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -20.642 -17.430 -9.610 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -19.592 -18.494 -12.286 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.123 -18.928 -11.551 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -21.634 -17.225 -13.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -21.607 -16.435 -11.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -20.291 -16.284 -12.614 1.00 1.00 H new ATOM 733 N LEU A 48 -15.033 -15.878 -9.368 1.00 1.00 N ATOM 734 CA LEU A 48 -13.907 -15.497 -10.228 1.00 1.00 C ATOM 735 C LEU A 48 -12.856 -16.624 -10.219 1.00 1.00 C ATOM 736 O LEU A 48 -12.266 -16.957 -11.244 1.00 1.00 O ATOM 737 CB LEU A 48 -13.310 -14.144 -9.720 1.00 1.00 C ATOM 738 CG LEU A 48 -12.719 -13.290 -10.874 1.00 1.00 C ATOM 739 CD1 LEU A 48 -12.119 -11.997 -10.292 1.00 1.00 C ATOM 740 CD2 LEU A 48 -11.636 -14.074 -11.649 1.00 1.00 C ATOM 0 H LEU A 48 -15.191 -15.255 -8.576 1.00 1.00 H new ATOM 0 HA LEU A 48 -14.239 -15.356 -11.256 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -14.088 -13.575 -9.211 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -12.531 -14.346 -8.985 1.00 1.00 H new ATOM 0 HG LEU A 48 -13.519 -13.045 -11.573 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -11.703 -11.394 -11.099 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -12.899 -11.432 -9.782 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -11.330 -12.249 -9.583 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -11.240 -13.451 -12.451 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -10.829 -14.347 -10.970 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -12.074 -14.977 -12.074 1.00 1.00 H new ATOM 752 N ASP A 49 -12.644 -17.211 -9.044 1.00 1.00 N ATOM 753 CA ASP A 49 -11.675 -18.296 -8.898 1.00 1.00 C ATOM 754 C ASP A 49 -12.072 -19.508 -9.748 1.00 1.00 C ATOM 755 O ASP A 49 -11.272 -20.429 -9.908 1.00 1.00 O ATOM 756 CB ASP A 49 -11.566 -18.706 -7.419 1.00 1.00 C ATOM 757 CG ASP A 49 -10.458 -19.745 -7.227 1.00 1.00 C ATOM 758 OD1 ASP A 49 -9.314 -19.418 -7.497 1.00 1.00 O ATOM 759 OD2 ASP A 49 -10.771 -20.851 -6.814 1.00 1.00 O ATOM 0 H ASP A 49 -13.127 -16.956 -8.183 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.707 -17.937 -9.247 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -11.358 -17.828 -6.807 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -12.518 -19.114 -7.078 1.00 1.00 H new ATOM 764 N VAL A 50 -13.306 -19.501 -10.302 1.00 1.00 N ATOM 765 CA VAL A 50 -13.794 -20.614 -11.157 1.00 1.00 C ATOM 766 C VAL A 50 -13.694 -20.210 -12.631 1.00 1.00 C ATOM 767 O VAL A 50 -13.724 -21.064 -13.517 1.00 1.00 O ATOM 768 CB VAL A 50 -15.239 -21.005 -10.768 1.00 1.00 C ATOM 769 CG1 VAL A 50 -15.766 -22.149 -11.668 1.00 1.00 C ATOM 770 CG2 VAL A 50 -15.254 -21.467 -9.299 1.00 1.00 C ATOM 0 H VAL A 50 -13.979 -18.745 -10.176 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.169 -21.493 -11.000 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.884 -20.137 -10.902 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.784 -22.404 -11.373 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.760 -21.825 -12.709 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.126 -23.024 -11.557 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -16.269 -21.745 -9.015 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -14.596 -22.328 -9.182 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.908 -20.656 -8.659 1.00 1.00 H new ATOM 780 N VAL A 51 -13.519 -18.910 -12.893 1.00 1.00 N ATOM 781 CA VAL A 51 -13.356 -18.406 -14.274 1.00 1.00 C ATOM 782 C VAL A 51 -11.865 -18.371 -14.664 1.00 1.00 C ATOM 783 O VAL A 51 -11.533 -18.475 -15.844 1.00 1.00 O ATOM 784 CB VAL A 51 -13.971 -16.992 -14.389 1.00 1.00 C ATOM 785 CG1 VAL A 51 -13.834 -16.448 -15.833 1.00 1.00 C ATOM 786 CG2 VAL A 51 -15.463 -17.059 -14.015 1.00 1.00 C ATOM 0 H VAL A 51 -13.486 -18.186 -12.175 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.874 -19.079 -14.958 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.439 -16.324 -13.712 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -14.274 -15.452 -15.890 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -12.779 -16.395 -16.103 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -14.353 -17.113 -16.523 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -15.903 -16.065 -14.094 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -15.978 -17.739 -14.694 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -15.566 -17.421 -12.992 1.00 1.00 H new ATOM 796 N PHE A 52 -10.970 -18.200 -13.677 1.00 1.00 N ATOM 797 CA PHE A 52 -9.515 -18.124 -13.956 1.00 1.00 C ATOM 798 C PHE A 52 -8.973 -19.480 -14.469 1.00 1.00 C ATOM 799 O PHE A 52 -8.243 -19.511 -15.458 1.00 1.00 O ATOM 800 CB PHE A 52 -8.736 -17.641 -12.672 1.00 1.00 C ATOM 801 CG PHE A 52 -7.751 -16.507 -12.996 1.00 1.00 C ATOM 802 CD1 PHE A 52 -6.431 -16.805 -13.378 1.00 1.00 C ATOM 803 CD2 PHE A 52 -8.160 -15.166 -12.907 1.00 1.00 C ATOM 804 CE1 PHE A 52 -5.532 -15.773 -13.667 1.00 1.00 C ATOM 805 CE2 PHE A 52 -7.258 -14.137 -13.196 1.00 1.00 C ATOM 806 CZ PHE A 52 -5.944 -14.441 -13.575 1.00 1.00 C ATOM 0 H PHE A 52 -11.217 -18.112 -12.691 1.00 1.00 H new ATOM 0 HA PHE A 52 -9.354 -17.391 -14.747 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.449 -17.300 -11.921 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.193 -18.481 -12.238 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.110 -17.834 -13.448 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -9.172 -14.929 -12.615 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -4.519 -16.006 -13.961 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -7.575 -13.107 -13.127 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.249 -13.645 -13.796 1.00 1.00 H new ATOM 816 N PRO A 53 -9.307 -20.593 -13.838 1.00 1.00 N ATOM 817 CA PRO A 53 -8.820 -21.948 -14.276 1.00 1.00 C ATOM 818 C PRO A 53 -9.189 -22.244 -15.735 1.00 1.00 C ATOM 819 O PRO A 53 -8.426 -22.874 -16.467 1.00 1.00 O ATOM 820 CB PRO A 53 -9.529 -22.923 -13.287 1.00 1.00 C ATOM 821 CG PRO A 53 -9.782 -22.073 -12.079 1.00 1.00 C ATOM 822 CD PRO A 53 -10.184 -20.717 -12.661 1.00 1.00 C ATOM 0 HA PRO A 53 -7.734 -22.035 -14.248 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -10.457 -23.314 -13.704 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.900 -23.781 -13.049 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -10.573 -22.490 -11.455 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -8.893 -21.992 -11.454 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -11.238 -20.692 -12.938 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -10.022 -19.908 -11.949 1.00 1.00 H new ATOM 830 N HIS A 54 -10.371 -21.783 -16.138 1.00 1.00 N ATOM 831 CA HIS A 54 -10.850 -21.993 -17.502 1.00 1.00 C ATOM 832 C HIS A 54 -9.957 -21.249 -18.487 1.00 1.00 C ATOM 833 O HIS A 54 -9.631 -21.764 -19.555 1.00 1.00 O ATOM 834 CB HIS A 54 -12.297 -21.496 -17.630 1.00 1.00 C ATOM 835 CG HIS A 54 -13.182 -22.269 -16.688 1.00 1.00 C ATOM 836 ND1 HIS A 54 -12.855 -23.542 -16.246 1.00 1.00 N ATOM 837 CD2 HIS A 54 -14.386 -21.966 -16.099 1.00 1.00 C ATOM 838 CE1 HIS A 54 -13.841 -23.953 -15.429 1.00 1.00 C ATOM 839 NE2 HIS A 54 -14.800 -23.031 -15.305 1.00 1.00 N ATOM 0 H HIS A 54 -11.014 -21.263 -15.541 1.00 1.00 H new ATOM 0 HA HIS A 54 -10.818 -23.059 -17.729 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -12.348 -20.431 -17.402 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -12.645 -21.619 -18.656 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -14.928 -21.042 -16.232 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -13.856 -24.912 -14.933 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -15.652 -23.094 -14.748 1.00 1.00 H new ATOM 848 N PHE A 55 -9.557 -20.038 -18.115 1.00 1.00 N ATOM 849 CA PHE A 55 -8.690 -19.232 -18.970 1.00 1.00 C ATOM 850 C PHE A 55 -7.331 -19.908 -19.143 1.00 1.00 C ATOM 851 O PHE A 55 -6.805 -19.948 -20.249 1.00 1.00 O ATOM 852 CB PHE A 55 -8.518 -17.825 -18.356 1.00 1.00 C ATOM 853 CG PHE A 55 -7.762 -16.915 -19.329 1.00 1.00 C ATOM 854 CD1 PHE A 55 -8.378 -16.529 -20.533 1.00 1.00 C ATOM 855 CD2 PHE A 55 -6.456 -16.465 -19.047 1.00 1.00 C ATOM 856 CE1 PHE A 55 -7.698 -15.713 -21.442 1.00 1.00 C ATOM 857 CE2 PHE A 55 -5.785 -15.644 -19.960 1.00 1.00 C ATOM 858 CZ PHE A 55 -6.405 -15.271 -21.156 1.00 1.00 C ATOM 0 H PHE A 55 -9.816 -19.594 -17.234 1.00 1.00 H new ATOM 0 HA PHE A 55 -9.150 -19.137 -19.953 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.494 -17.397 -18.129 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.974 -17.895 -17.414 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -9.380 -16.864 -20.756 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -5.973 -16.754 -18.125 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -8.174 -15.424 -22.367 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -4.786 -15.298 -19.740 1.00 1.00 H new ATOM 0 HZ PHE A 55 -5.883 -14.640 -21.860 1.00 1.00 H new ATOM 868 N ILE A 56 -6.774 -20.469 -18.071 1.00 1.00 N ATOM 869 CA ILE A 56 -5.483 -21.169 -18.167 1.00 1.00 C ATOM 870 C ILE A 56 -5.656 -22.464 -18.964 1.00 1.00 C ATOM 871 O ILE A 56 -4.769 -22.856 -19.722 1.00 1.00 O ATOM 872 CB ILE A 56 -4.912 -21.461 -16.762 1.00 1.00 C ATOM 873 CG1 ILE A 56 -4.831 -20.149 -15.934 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.516 -22.112 -16.865 1.00 1.00 C ATOM 875 CD1 ILE A 56 -3.946 -19.071 -16.602 1.00 1.00 C ATOM 0 H ILE A 56 -7.184 -20.457 -17.137 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.772 -20.528 -18.688 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.580 -22.158 -16.257 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -5.836 -19.751 -15.793 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -4.436 -20.374 -14.943 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.132 -22.309 -15.864 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.591 -23.049 -17.416 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -2.838 -21.437 -17.387 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -3.927 -18.178 -15.978 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -2.932 -19.454 -16.718 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -4.354 -18.821 -17.581 1.00 1.00 H new ATOM 887 N SER A 57 -6.795 -23.129 -18.782 1.00 1.00 N ATOM 888 CA SER A 57 -7.063 -24.387 -19.484 1.00 1.00 C ATOM 889 C SER A 57 -7.025 -24.198 -21.003 1.00 1.00 C ATOM 890 O SER A 57 -6.419 -24.997 -21.717 1.00 1.00 O ATOM 891 CB SER A 57 -8.439 -24.923 -19.075 1.00 1.00 C ATOM 892 OG SER A 57 -8.678 -26.160 -19.735 1.00 1.00 O ATOM 0 H SER A 57 -7.543 -22.823 -18.160 1.00 1.00 H new ATOM 0 HA SER A 57 -6.286 -25.099 -19.207 1.00 1.00 H new ATOM 0 HB2 SER A 57 -8.482 -25.060 -17.995 1.00 1.00 H new ATOM 0 HB3 SER A 57 -9.215 -24.203 -19.336 1.00 1.00 H new ATOM 0 HG SER A 57 -9.557 -26.506 -19.474 1.00 1.00 H new ATOM 898 N GLN A 58 -7.670 -23.138 -21.495 1.00 1.00 N ATOM 899 CA GLN A 58 -7.698 -22.856 -22.937 1.00 1.00 C ATOM 900 C GLN A 58 -6.306 -22.464 -23.443 1.00 1.00 C ATOM 901 O GLN A 58 -5.923 -22.857 -24.539 1.00 1.00 O ATOM 902 CB GLN A 58 -8.709 -21.738 -23.251 1.00 1.00 C ATOM 903 CG GLN A 58 -10.140 -22.172 -22.864 1.00 1.00 C ATOM 904 CD GLN A 58 -10.630 -23.298 -23.772 1.00 1.00 C ATOM 905 OE1 GLN A 58 -10.929 -24.394 -23.300 1.00 1.00 O ATOM 906 NE2 GLN A 58 -10.730 -23.087 -25.057 1.00 1.00 N ATOM 0 H GLN A 58 -8.178 -22.463 -20.923 1.00 1.00 H new ATOM 0 HA GLN A 58 -8.010 -23.765 -23.451 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -8.438 -20.833 -22.707 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -8.672 -21.495 -24.313 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -10.156 -22.503 -21.826 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -10.816 -21.320 -22.937 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -10.481 -22.177 -25.445 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -11.057 -23.832 -25.672 1.00 1.00 H new ATOM 915 N ILE A 59 -5.538 -21.712 -22.657 1.00 1.00 N ATOM 916 CA ILE A 59 -4.191 -21.307 -23.094 1.00 1.00 C ATOM 917 C ILE A 59 -3.340 -22.549 -23.371 1.00 1.00 C ATOM 918 O ILE A 59 -2.635 -22.607 -24.374 1.00 1.00 O ATOM 919 CB ILE A 59 -3.533 -20.403 -22.007 1.00 1.00 C ATOM 920 CG1 ILE A 59 -4.261 -19.021 -21.961 1.00 1.00 C ATOM 921 CG2 ILE A 59 -2.016 -20.180 -22.292 1.00 1.00 C ATOM 922 CD1 ILE A 59 -3.876 -18.213 -20.698 1.00 1.00 C ATOM 0 H ILE A 59 -5.811 -21.374 -21.734 1.00 1.00 H new ATOM 0 HA ILE A 59 -4.263 -20.732 -24.017 1.00 1.00 H new ATOM 0 HB ILE A 59 -3.629 -20.909 -21.046 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -4.008 -18.446 -22.852 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -5.340 -19.177 -21.978 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -1.589 -19.546 -21.515 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -1.502 -21.141 -22.299 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -1.895 -19.697 -23.262 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -4.402 -17.259 -20.702 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -4.153 -18.776 -19.807 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -2.801 -18.034 -20.694 1.00 1.00 H new ATOM 934 N GLU A 60 -3.413 -23.539 -22.489 1.00 1.00 N ATOM 935 CA GLU A 60 -2.638 -24.766 -22.669 1.00 1.00 C ATOM 936 C GLU A 60 -2.992 -25.428 -24.012 1.00 1.00 C ATOM 937 O GLU A 60 -2.118 -25.937 -24.714 1.00 1.00 O ATOM 938 CB GLU A 60 -2.927 -25.723 -21.497 1.00 1.00 C ATOM 939 CG GLU A 60 -1.997 -26.950 -21.553 1.00 1.00 C ATOM 940 CD GLU A 60 -2.232 -27.864 -20.346 1.00 1.00 C ATOM 941 OE1 GLU A 60 -3.238 -27.696 -19.673 1.00 1.00 O ATOM 942 OE2 GLU A 60 -1.395 -28.722 -20.112 1.00 1.00 O ATOM 0 H GLU A 60 -3.993 -23.520 -21.650 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.574 -24.528 -22.681 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -2.789 -25.199 -20.551 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.967 -26.047 -21.534 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -2.173 -27.504 -22.475 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -0.957 -26.624 -21.571 1.00 1.00 H new ATOM 949 N SER A 61 -4.280 -25.399 -24.359 1.00 1.00 N ATOM 950 CA SER A 61 -4.760 -25.979 -25.619 1.00 1.00 C ATOM 951 C SER A 61 -4.201 -25.225 -26.833 1.00 1.00 C ATOM 952 O SER A 61 -3.851 -25.839 -27.842 1.00 1.00 O ATOM 953 CB SER A 61 -6.292 -25.955 -25.651 1.00 1.00 C ATOM 954 OG SER A 61 -6.791 -26.602 -24.488 1.00 1.00 O ATOM 0 H SER A 61 -5.012 -24.980 -23.786 1.00 1.00 H new ATOM 0 HA SER A 61 -4.408 -27.009 -25.672 1.00 1.00 H new ATOM 0 HB2 SER A 61 -6.651 -24.927 -25.693 1.00 1.00 H new ATOM 0 HB3 SER A 61 -6.657 -26.457 -26.547 1.00 1.00 H new ATOM 0 HG SER A 61 -6.731 -25.992 -23.723 1.00 1.00 H new ATOM 960 N MET A 62 -4.125 -23.893 -26.738 1.00 1.00 N ATOM 961 CA MET A 62 -3.610 -23.076 -27.846 1.00 1.00 C ATOM 962 C MET A 62 -2.164 -23.468 -28.170 1.00 1.00 C ATOM 963 O MET A 62 -1.786 -23.542 -29.337 1.00 1.00 O ATOM 964 CB MET A 62 -3.687 -21.559 -27.473 1.00 1.00 C ATOM 965 CG MET A 62 -5.077 -20.953 -27.807 1.00 1.00 C ATOM 966 SD MET A 62 -6.404 -21.988 -27.116 1.00 1.00 S ATOM 967 CE MET A 62 -7.285 -22.421 -28.641 1.00 1.00 C ATOM 0 H MET A 62 -4.410 -23.361 -25.916 1.00 1.00 H new ATOM 0 HA MET A 62 -4.224 -23.255 -28.728 1.00 1.00 H new ATOM 0 HB2 MET A 62 -3.483 -21.435 -26.409 1.00 1.00 H new ATOM 0 HB3 MET A 62 -2.913 -21.012 -28.012 1.00 1.00 H new ATOM 0 HG2 MET A 62 -5.147 -19.943 -27.403 1.00 1.00 H new ATOM 0 HG3 MET A 62 -5.195 -20.873 -28.888 1.00 1.00 H new ATOM 0 HE1 MET A 62 -8.136 -23.059 -28.401 1.00 1.00 H new ATOM 0 HE2 MET A 62 -7.639 -21.512 -29.128 1.00 1.00 H new ATOM 0 HE3 MET A 62 -6.611 -22.953 -29.312 1.00 1.00 H new ATOM 977 N LEU A 63 -1.360 -23.715 -27.140 1.00 1.00 N ATOM 978 CA LEU A 63 0.043 -24.085 -27.355 1.00 1.00 C ATOM 979 C LEU A 63 0.112 -25.394 -28.143 1.00 1.00 C ATOM 980 O LEU A 63 1.007 -25.585 -28.963 1.00 1.00 O ATOM 981 CB LEU A 63 0.769 -24.233 -26.007 1.00 1.00 C ATOM 982 CG LEU A 63 0.729 -22.905 -25.203 1.00 1.00 C ATOM 983 CD1 LEU A 63 1.347 -23.138 -23.810 1.00 1.00 C ATOM 984 CD2 LEU A 63 1.498 -21.765 -25.933 1.00 1.00 C ATOM 0 H LEU A 63 -1.645 -23.668 -26.162 1.00 1.00 H new ATOM 0 HA LEU A 63 0.537 -23.298 -27.926 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.304 -25.028 -25.425 1.00 1.00 H new ATOM 0 HB3 LEU A 63 1.804 -24.527 -26.178 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.312 -22.595 -25.109 1.00 1.00 H new ATOM 0 HD11 LEU A 63 1.322 -22.209 -23.241 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.777 -23.903 -23.282 1.00 1.00 H new ATOM 0 HD13 LEU A 63 2.380 -23.468 -23.921 1.00 1.00 H new ATOM 0 HD21 LEU A 63 1.447 -20.853 -25.339 1.00 1.00 H new ATOM 0 HD22 LEU A 63 2.541 -22.055 -26.063 1.00 1.00 H new ATOM 0 HD23 LEU A 63 1.046 -21.588 -26.909 1.00 1.00 H new ATOM 996 N THR A 64 -0.843 -26.293 -27.891 1.00 1.00 N ATOM 997 CA THR A 64 -0.894 -27.587 -28.587 1.00 1.00 C ATOM 998 C THR A 64 -1.646 -27.474 -29.920 1.00 1.00 C ATOM 999 O THR A 64 -1.075 -27.722 -30.982 1.00 1.00 O ATOM 1000 CB THR A 64 -1.605 -28.616 -27.698 1.00 1.00 C ATOM 1001 OG1 THR A 64 -2.946 -28.200 -27.478 1.00 1.00 O ATOM 1002 CG2 THR A 64 -0.880 -28.733 -26.353 1.00 1.00 C ATOM 0 H THR A 64 -1.591 -26.152 -27.212 1.00 1.00 H new ATOM 0 HA THR A 64 0.129 -27.902 -28.792 1.00 1.00 H new ATOM 0 HB THR A 64 -1.597 -29.587 -28.194 1.00 1.00 H new ATOM 0 HG1 THR A 64 -2.968 -27.232 -27.328 1.00 1.00 H new ATOM 0 HG21 THR A 64 -1.390 -29.465 -25.727 1.00 1.00 H new ATOM 0 HG22 THR A 64 0.148 -29.053 -26.521 1.00 1.00 H new ATOM 0 HG23 THR A 64 -0.882 -27.764 -25.853 1.00 1.00 H new ATOM 1010 N THR A 65 -2.937 -27.120 -29.859 1.00 1.00 N ATOM 1011 CA THR A 65 -3.767 -27.004 -31.074 1.00 1.00 C ATOM 1012 C THR A 65 -3.441 -25.740 -31.874 1.00 1.00 C ATOM 1013 O THR A 65 -3.422 -25.770 -33.104 1.00 1.00 O ATOM 1014 CB THR A 65 -5.253 -26.979 -30.689 1.00 1.00 C ATOM 1015 OG1 THR A 65 -5.515 -25.815 -29.918 1.00 1.00 O ATOM 1016 CG2 THR A 65 -5.604 -28.221 -29.866 1.00 1.00 C ATOM 0 H THR A 65 -3.429 -26.910 -28.991 1.00 1.00 H new ATOM 0 HA THR A 65 -3.549 -27.870 -31.699 1.00 1.00 H new ATOM 0 HB THR A 65 -5.858 -26.970 -31.595 1.00 1.00 H new ATOM 0 HG1 THR A 65 -4.974 -25.835 -29.101 1.00 1.00 H new ATOM 0 HG21 THR A 65 -6.660 -28.193 -29.598 1.00 1.00 H new ATOM 0 HG22 THR A 65 -5.402 -29.116 -30.454 1.00 1.00 H new ATOM 0 HG23 THR A 65 -5.000 -28.239 -28.959 1.00 1.00 H new ATOM 1024 N GLY A 66 -3.200 -24.627 -31.179 1.00 1.00 N ATOM 1025 CA GLY A 66 -2.891 -23.353 -31.845 1.00 1.00 C ATOM 1026 C GLY A 66 -1.427 -23.293 -32.252 1.00 1.00 C ATOM 1027 O GLY A 66 -1.000 -22.339 -32.903 1.00 1.00 O ATOM 0 H GLY A 66 -3.212 -24.578 -30.160 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.522 -23.236 -32.726 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -3.121 -22.524 -31.176 1.00 1.00 H new ATOM 1031 N GLU A 67 -0.670 -24.332 -31.858 1.00 1.00 N ATOM 1032 CA GLU A 67 0.775 -24.453 -32.152 1.00 1.00 C ATOM 1033 C GLU A 67 1.472 -23.078 -32.215 1.00 1.00 C ATOM 1034 O GLU A 67 1.720 -22.543 -33.293 1.00 1.00 O ATOM 1035 CB GLU A 67 0.996 -25.248 -33.472 1.00 1.00 C ATOM 1036 CG GLU A 67 0.009 -24.775 -34.559 1.00 1.00 C ATOM 1037 CD GLU A 67 0.325 -25.447 -35.893 1.00 1.00 C ATOM 1038 OE1 GLU A 67 1.498 -25.593 -36.197 1.00 1.00 O ATOM 1039 OE2 GLU A 67 -0.610 -25.803 -36.589 1.00 1.00 O ATOM 0 H GLU A 67 -1.042 -25.117 -31.324 1.00 1.00 H new ATOM 0 HA GLU A 67 1.231 -25.004 -31.330 1.00 1.00 H new ATOM 0 HB2 GLU A 67 2.020 -25.112 -33.818 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.861 -26.314 -33.289 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.012 -25.010 -34.259 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.068 -23.692 -34.667 1.00 1.00 H new ATOM 1046 N LEU A 68 1.762 -22.507 -31.046 1.00 1.00 N ATOM 1047 CA LEU A 68 2.402 -21.185 -30.974 1.00 1.00 C ATOM 1048 C LEU A 68 3.898 -21.323 -31.247 1.00 1.00 C ATOM 1049 O LEU A 68 4.500 -22.365 -30.991 1.00 1.00 O ATOM 1050 CB LEU A 68 2.158 -20.556 -29.564 1.00 1.00 C ATOM 1051 CG LEU A 68 0.822 -19.748 -29.494 1.00 1.00 C ATOM 1052 CD1 LEU A 68 0.885 -18.448 -30.360 1.00 1.00 C ATOM 1053 CD2 LEU A 68 -0.367 -20.632 -29.935 1.00 1.00 C ATOM 0 H LEU A 68 1.567 -22.932 -30.139 1.00 1.00 H new ATOM 0 HA LEU A 68 1.968 -20.529 -31.728 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.140 -21.347 -28.815 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.990 -19.898 -29.314 1.00 1.00 H new ATOM 0 HG LEU A 68 0.674 -19.446 -28.457 1.00 1.00 H new ATOM 0 HD11 LEU A 68 -0.063 -17.915 -30.285 1.00 1.00 H new ATOM 0 HD12 LEU A 68 1.691 -17.809 -29.999 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.071 -18.713 -31.401 1.00 1.00 H new ATOM 0 HD21 LEU A 68 -1.290 -20.054 -29.880 1.00 1.00 H new ATOM 0 HD22 LEU A 68 -0.210 -20.969 -30.960 1.00 1.00 H new ATOM 0 HD23 LEU A 68 -0.441 -21.497 -29.276 1.00 1.00 H new ATOM 1065 N ASN A 69 4.478 -20.248 -31.791 1.00 1.00 N ATOM 1066 CA ASN A 69 5.900 -20.204 -32.139 1.00 1.00 C ATOM 1067 C ASN A 69 6.479 -18.818 -31.812 1.00 1.00 C ATOM 1068 O ASN A 69 6.733 -18.021 -32.716 1.00 1.00 O ATOM 1069 CB ASN A 69 6.049 -20.496 -33.642 1.00 1.00 C ATOM 1070 CG ASN A 69 7.523 -20.549 -34.040 1.00 1.00 C ATOM 1071 OD1 ASN A 69 8.119 -21.704 -34.142 1.00 1.00 O flip ATOM 1072 ND2 ASN A 69 8.145 -19.509 -34.262 1.00 1.00 N flip ATOM 0 H ASN A 69 3.975 -19.386 -32.002 1.00 1.00 H new ATOM 0 HA ASN A 69 6.445 -20.951 -31.562 1.00 1.00 H new ATOM 0 HB2 ASN A 69 5.568 -21.444 -33.882 1.00 1.00 H new ATOM 0 HB3 ASN A 69 5.539 -19.725 -34.219 1.00 1.00 H new ATOM 0 HD21 ASN A 69 7.676 -18.607 -34.181 1.00 1.00 H new ATOM 0 HD22 ASN A 69 9.129 -19.550 -34.527 1.00 1.00 H new ATOM 1079 N PRO A 70 6.708 -18.511 -30.549 1.00 1.00 N ATOM 1080 CA PRO A 70 7.290 -17.188 -30.136 1.00 1.00 C ATOM 1081 C PRO A 70 8.527 -16.828 -30.971 1.00 1.00 C ATOM 1082 O PRO A 70 9.604 -17.390 -30.769 1.00 1.00 O ATOM 1083 CB PRO A 70 7.645 -17.416 -28.641 1.00 1.00 C ATOM 1084 CG PRO A 70 6.624 -18.416 -28.179 1.00 1.00 C ATOM 1085 CD PRO A 70 6.447 -19.376 -29.370 1.00 1.00 C ATOM 0 HA PRO A 70 6.607 -16.352 -30.288 1.00 1.00 H new ATOM 0 HB2 PRO A 70 8.660 -17.797 -28.524 1.00 1.00 H new ATOM 0 HB3 PRO A 70 7.585 -16.490 -28.070 1.00 1.00 H new ATOM 0 HG2 PRO A 70 6.964 -18.947 -27.290 1.00 1.00 H new ATOM 0 HG3 PRO A 70 5.683 -17.930 -27.919 1.00 1.00 H new ATOM 0 HD2 PRO A 70 7.146 -20.211 -29.321 1.00 1.00 H new ATOM 0 HD3 PRO A 70 5.444 -19.802 -29.398 1.00 1.00 H new ATOM 1093 N ARG A 71 8.362 -15.867 -31.896 1.00 1.00 N ATOM 1094 CA ARG A 71 9.465 -15.412 -32.755 1.00 1.00 C ATOM 1095 C ARG A 71 9.050 -14.159 -33.557 1.00 1.00 C ATOM 1096 O ARG A 71 9.895 -13.447 -34.099 1.00 1.00 O ATOM 1097 CB ARG A 71 9.872 -16.551 -33.718 1.00 1.00 C ATOM 1098 CG ARG A 71 11.186 -16.217 -34.442 1.00 1.00 C ATOM 1099 CD ARG A 71 11.576 -17.378 -35.366 1.00 1.00 C ATOM 1100 NE ARG A 71 11.867 -18.571 -34.572 1.00 1.00 N ATOM 1101 CZ ARG A 71 12.206 -19.729 -35.143 1.00 1.00 C ATOM 1102 NH1 ARG A 71 12.282 -19.830 -36.444 1.00 1.00 N ATOM 1103 NH2 ARG A 71 12.461 -20.768 -34.396 1.00 1.00 N ATOM 0 H ARG A 71 7.476 -15.392 -32.067 1.00 1.00 H new ATOM 0 HA ARG A 71 10.316 -15.148 -32.127 1.00 1.00 H new ATOM 0 HB2 ARG A 71 9.986 -17.480 -33.160 1.00 1.00 H new ATOM 0 HB3 ARG A 71 9.081 -16.714 -34.450 1.00 1.00 H new ATOM 0 HG2 ARG A 71 11.071 -15.301 -35.022 1.00 1.00 H new ATOM 0 HG3 ARG A 71 11.978 -16.036 -33.715 1.00 1.00 H new ATOM 0 HD2 ARG A 71 10.766 -17.585 -36.066 1.00 1.00 H new ATOM 0 HD3 ARG A 71 12.448 -17.104 -35.960 1.00 1.00 H new ATOM 0 HE ARG A 71 11.809 -18.517 -33.555 1.00 1.00 H new ATOM 0 HH11 ARG A 71 12.082 -19.020 -37.031 1.00 1.00 H new ATOM 0 HH12 ARG A 71 12.542 -20.719 -36.872 1.00 1.00 H new ATOM 0 HH21 ARG A 71 12.401 -20.693 -33.381 1.00 1.00 H new ATOM 0 HH22 ARG A 71 12.720 -21.655 -34.828 1.00 1.00 H new ATOM 1117 N HIS A 72 7.734 -13.895 -33.620 1.00 1.00 N ATOM 1118 CA HIS A 72 7.193 -12.734 -34.358 1.00 1.00 C ATOM 1119 C HIS A 72 6.003 -12.119 -33.617 1.00 1.00 C ATOM 1120 O HIS A 72 5.195 -12.829 -33.018 1.00 1.00 O ATOM 1121 CB HIS A 72 6.750 -13.182 -35.767 1.00 1.00 C ATOM 1122 CG HIS A 72 6.321 -11.990 -36.590 1.00 1.00 C ATOM 1123 ND1 HIS A 72 7.191 -10.957 -36.900 1.00 1.00 N ATOM 1124 CD2 HIS A 72 5.120 -11.655 -37.169 1.00 1.00 C ATOM 1125 CE1 HIS A 72 6.511 -10.058 -37.634 1.00 1.00 C ATOM 1126 NE2 HIS A 72 5.244 -10.434 -37.828 1.00 1.00 N ATOM 0 H HIS A 72 7.022 -14.469 -33.169 1.00 1.00 H new ATOM 0 HA HIS A 72 7.975 -11.979 -34.437 1.00 1.00 H new ATOM 0 HB2 HIS A 72 7.570 -13.699 -36.265 1.00 1.00 H new ATOM 0 HB3 HIS A 72 5.927 -13.892 -35.687 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.218 -12.248 -37.120 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.937 -9.144 -38.019 1.00 1.00 H new ATOM 0 HE2 HIS A 72 4.522 -9.934 -38.347 1.00 1.00 H new ATOM 1135 N ALA A 73 5.917 -10.788 -33.656 1.00 1.00 N ATOM 1136 CA ALA A 73 4.839 -10.070 -32.984 1.00 1.00 C ATOM 1137 C ALA A 73 3.473 -10.530 -33.504 1.00 1.00 C ATOM 1138 O ALA A 73 3.219 -10.498 -34.708 1.00 1.00 O ATOM 1139 CB ALA A 73 4.999 -8.565 -33.238 1.00 1.00 C ATOM 0 H ALA A 73 6.581 -10.189 -34.146 1.00 1.00 H new ATOM 0 HA ALA A 73 4.893 -10.279 -31.915 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.196 -8.024 -32.738 1.00 1.00 H new ATOM 0 HB2 ALA A 73 5.960 -8.230 -32.847 1.00 1.00 H new ATOM 0 HB3 ALA A 73 4.955 -8.370 -34.310 1.00 1.00 H new ATOM 1145 N GLN A 74 2.593 -10.949 -32.593 1.00 1.00 N ATOM 1146 CA GLN A 74 1.247 -11.405 -32.973 1.00 1.00 C ATOM 1147 C GLN A 74 0.337 -11.390 -31.737 1.00 1.00 C ATOM 1148 O GLN A 74 0.432 -12.267 -30.878 1.00 1.00 O ATOM 1149 CB GLN A 74 1.332 -12.853 -33.594 1.00 1.00 C ATOM 1150 CG GLN A 74 0.959 -12.849 -35.092 1.00 1.00 C ATOM 1151 CD GLN A 74 1.047 -14.263 -35.663 1.00 1.00 C ATOM 1152 OE1 GLN A 74 0.466 -15.195 -35.107 1.00 1.00 O ATOM 1153 NE2 GLN A 74 1.739 -14.477 -36.746 1.00 1.00 N ATOM 0 H GLN A 74 2.783 -10.984 -31.591 1.00 1.00 H new ATOM 0 HA GLN A 74 0.826 -10.736 -33.723 1.00 1.00 H new ATOM 0 HB2 GLN A 74 2.342 -13.244 -33.470 1.00 1.00 H new ATOM 0 HB3 GLN A 74 0.663 -13.522 -33.053 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -0.051 -12.459 -35.221 1.00 1.00 H new ATOM 0 HG3 GLN A 74 1.629 -12.186 -35.639 1.00 1.00 H new ATOM 0 HE21 GLN A 74 2.220 -13.703 -37.205 1.00 1.00 H new ATOM 0 HE22 GLN A 74 1.800 -15.418 -37.135 1.00 1.00 H new ATOM 1162 N CYS A 75 -0.541 -10.385 -31.655 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.467 -10.250 -30.523 1.00 1.00 C ATOM 1164 C CYS A 75 -2.769 -10.981 -30.812 1.00 1.00 C ATOM 1165 O CYS A 75 -3.200 -11.055 -31.963 1.00 1.00 O ATOM 1166 CB CYS A 75 -1.758 -8.764 -30.273 1.00 1.00 C ATOM 1167 SG CYS A 75 -2.514 -8.037 -31.749 1.00 1.00 S ATOM 0 H CYS A 75 -0.631 -9.652 -32.359 1.00 1.00 H new ATOM 0 HA CYS A 75 -1.006 -10.689 -29.638 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -2.425 -8.652 -29.418 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -0.835 -8.238 -30.028 1.00 1.00 H new ATOM 0 HG CYS A 75 -3.100 -8.969 -32.440 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.400 -11.512 -29.753 1.00 1.00 N ATOM 1174 CA VAL A 76 -4.682 -12.236 -29.878 1.00 1.00 C ATOM 1175 C VAL A 76 -5.642 -11.770 -28.790 1.00 1.00 C ATOM 1176 O VAL A 76 -5.209 -11.341 -27.719 1.00 1.00 O ATOM 1177 CB VAL A 76 -4.440 -13.759 -29.769 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -3.578 -14.230 -30.952 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -3.714 -14.087 -28.450 1.00 1.00 C ATOM 0 H VAL A 76 -3.046 -11.455 -28.798 1.00 1.00 H new ATOM 0 HA VAL A 76 -5.124 -12.024 -30.852 1.00 1.00 H new ATOM 0 HB VAL A 76 -5.402 -14.271 -29.787 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -3.408 -15.304 -30.874 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -4.093 -14.011 -31.887 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -2.621 -13.709 -30.935 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -3.549 -15.162 -28.383 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -2.755 -13.570 -28.424 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -4.324 -13.761 -27.608 1.00 1.00 H new ATOM 1189 N THR A 77 -6.947 -11.858 -29.072 1.00 1.00 N ATOM 1190 CA THR A 77 -7.999 -11.450 -28.121 1.00 1.00 C ATOM 1191 C THR A 77 -9.011 -12.584 -27.950 1.00 1.00 C ATOM 1192 O THR A 77 -9.773 -12.887 -28.866 1.00 1.00 O ATOM 1193 CB THR A 77 -8.708 -10.195 -28.651 1.00 1.00 C ATOM 1194 OG1 THR A 77 -9.271 -10.475 -29.925 1.00 1.00 O ATOM 1195 CG2 THR A 77 -7.701 -9.045 -28.779 1.00 1.00 C ATOM 0 H THR A 77 -7.307 -12.211 -29.959 1.00 1.00 H new ATOM 0 HA THR A 77 -7.547 -11.229 -27.154 1.00 1.00 H new ATOM 0 HB THR A 77 -9.497 -9.906 -27.957 1.00 1.00 H new ATOM 0 HG1 THR A 77 -9.567 -11.409 -29.954 1.00 1.00 H new ATOM 0 HG21 THR A 77 -8.209 -8.157 -29.155 1.00 1.00 H new ATOM 0 HG22 THR A 77 -7.269 -8.829 -27.802 1.00 1.00 H new ATOM 0 HG23 THR A 77 -6.909 -9.331 -29.471 1.00 1.00 H new ATOM 1203 N LEU A 78 -9.013 -13.207 -26.766 1.00 1.00 N ATOM 1204 CA LEU A 78 -9.935 -14.312 -26.457 1.00 1.00 C ATOM 1205 C LEU A 78 -11.195 -13.737 -25.811 1.00 1.00 C ATOM 1206 O LEU A 78 -11.171 -12.629 -25.276 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.249 -15.307 -25.483 1.00 1.00 C ATOM 1208 CG LEU A 78 -8.248 -16.225 -26.230 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -7.153 -15.391 -26.937 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -7.602 -17.189 -25.216 1.00 1.00 C ATOM 0 H LEU A 78 -8.384 -12.965 -26.001 1.00 1.00 H new ATOM 0 HA LEU A 78 -10.201 -14.841 -27.372 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -8.726 -14.754 -24.703 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -10.006 -15.916 -24.989 1.00 1.00 H new ATOM 0 HG LEU A 78 -8.785 -16.789 -26.992 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.464 -16.059 -27.454 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -7.617 -14.719 -27.659 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -6.606 -14.807 -26.197 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -6.896 -17.840 -25.732 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.076 -16.615 -24.453 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.376 -17.795 -24.746 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.294 -14.499 -25.861 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.573 -14.071 -25.270 1.00 1.00 C ATOM 1224 C TYR A 79 -14.263 -15.269 -24.607 1.00 1.00 C ATOM 1225 O TYR A 79 -14.531 -16.274 -25.265 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.476 -13.502 -26.374 1.00 1.00 C ATOM 1227 CG TYR A 79 -13.773 -12.327 -27.050 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -13.913 -11.027 -26.533 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -12.978 -12.535 -28.192 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -13.267 -9.950 -27.154 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -12.333 -11.455 -28.807 1.00 1.00 C ATOM 1232 CZ TYR A 79 -12.478 -10.164 -28.289 1.00 1.00 C ATOM 1233 OH TYR A 79 -11.841 -9.101 -28.897 1.00 1.00 O ATOM 0 H TYR A 79 -12.326 -15.417 -26.305 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.388 -13.304 -24.518 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -14.703 -14.275 -27.108 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -15.426 -13.176 -25.950 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -14.520 -10.858 -25.656 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -12.865 -13.530 -28.595 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -13.378 -8.952 -26.756 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -11.723 -11.619 -29.683 1.00 1.00 H new ATOM 0 HH TYR A 79 -11.083 -9.431 -29.423 1.00 1.00 H new ATOM 1243 N HIS A 80 -14.559 -15.160 -23.305 1.00 1.00 N ATOM 1244 CA HIS A 80 -15.231 -16.248 -22.573 1.00 1.00 C ATOM 1245 C HIS A 80 -15.924 -15.684 -21.328 1.00 1.00 C ATOM 1246 O HIS A 80 -15.336 -14.896 -20.588 1.00 1.00 O ATOM 1247 CB HIS A 80 -14.187 -17.322 -22.162 1.00 1.00 C ATOM 1248 CG HIS A 80 -13.794 -18.164 -23.357 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -12.677 -17.889 -24.130 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -14.372 -19.277 -23.915 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -12.620 -18.819 -25.104 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -13.630 -19.688 -25.017 1.00 1.00 N ATOM 0 H HIS A 80 -14.347 -14.338 -22.739 1.00 1.00 H new ATOM 0 HA HIS A 80 -15.981 -16.708 -23.217 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -13.304 -16.838 -21.744 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -14.601 -17.960 -21.381 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -15.267 -19.760 -23.553 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -11.852 -18.857 -25.862 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -13.817 -20.483 -25.628 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.170 -16.099 -21.096 1.00 1.00 N ATOM 1262 CA ASN A 81 -17.927 -15.638 -19.930 1.00 1.00 C ATOM 1263 C ASN A 81 -17.971 -14.107 -19.861 1.00 1.00 C ATOM 1264 O ASN A 81 -18.106 -13.523 -18.787 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.300 -16.215 -18.648 1.00 1.00 C ATOM 1266 CG ASN A 81 -18.161 -15.890 -17.430 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -17.741 -15.130 -16.556 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -19.348 -16.421 -17.321 1.00 1.00 N ATOM 0 H ASN A 81 -17.675 -16.751 -21.697 1.00 1.00 H new ATOM 0 HA ASN A 81 -18.954 -15.992 -20.024 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -17.192 -17.295 -18.745 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -16.299 -15.806 -18.511 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -19.930 -16.207 -16.511 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -19.694 -17.050 -18.046 1.00 1.00 H new ATOM 1275 N GLY A 82 -17.874 -13.463 -21.023 1.00 1.00 N ATOM 1276 CA GLY A 82 -17.913 -11.997 -21.104 1.00 1.00 C ATOM 1277 C GLY A 82 -16.552 -11.382 -20.788 1.00 1.00 C ATOM 1278 O GLY A 82 -16.249 -10.279 -21.242 1.00 1.00 O ATOM 0 H GLY A 82 -17.768 -13.930 -21.924 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.226 -11.695 -22.103 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -18.658 -11.613 -20.407 1.00 1.00 H new ATOM 1282 N PHE A 83 -15.722 -12.099 -20.025 1.00 1.00 N ATOM 1283 CA PHE A 83 -14.386 -11.601 -19.683 1.00 1.00 C ATOM 1284 C PHE A 83 -13.531 -11.560 -20.949 1.00 1.00 C ATOM 1285 O PHE A 83 -13.612 -12.461 -21.785 1.00 1.00 O ATOM 1286 CB PHE A 83 -13.740 -12.525 -18.615 1.00 1.00 C ATOM 1287 CG PHE A 83 -14.346 -12.242 -17.235 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -15.534 -12.874 -16.837 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -13.722 -11.332 -16.361 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -16.090 -12.604 -15.581 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -14.281 -11.062 -15.107 1.00 1.00 C ATOM 1292 CZ PHE A 83 -15.463 -11.698 -14.717 1.00 1.00 C ATOM 0 H PHE A 83 -15.947 -13.015 -19.636 1.00 1.00 H new ATOM 0 HA PHE A 83 -14.457 -10.595 -19.269 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -13.899 -13.570 -18.883 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.662 -12.363 -18.587 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -16.021 -13.571 -17.502 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -12.808 -10.840 -16.660 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -17.003 -13.095 -15.278 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -13.799 -10.362 -14.440 1.00 1.00 H new ATOM 0 HZ PHE A 83 -15.893 -11.490 -13.748 1.00 1.00 H new ATOM 1302 N THR A 84 -12.708 -10.506 -21.081 1.00 1.00 N ATOM 1303 CA THR A 84 -11.822 -10.326 -22.245 1.00 1.00 C ATOM 1304 C THR A 84 -10.398 -10.048 -21.767 1.00 1.00 C ATOM 1305 O THR A 84 -10.113 -8.969 -21.249 1.00 1.00 O ATOM 1306 CB THR A 84 -12.329 -9.137 -23.089 1.00 1.00 C ATOM 1307 OG1 THR A 84 -13.679 -9.376 -23.463 1.00 1.00 O ATOM 1308 CG2 THR A 84 -11.480 -8.969 -24.363 1.00 1.00 C ATOM 0 H THR A 84 -12.638 -9.759 -20.390 1.00 1.00 H new ATOM 0 HA THR A 84 -11.825 -11.232 -22.852 1.00 1.00 H new ATOM 0 HB THR A 84 -12.252 -8.228 -22.493 1.00 1.00 H new ATOM 0 HG1 THR A 84 -13.709 -9.705 -24.386 1.00 1.00 H new ATOM 0 HG21 THR A 84 -11.856 -8.125 -24.942 1.00 1.00 H new ATOM 0 HG22 THR A 84 -10.442 -8.786 -24.087 1.00 1.00 H new ATOM 0 HG23 THR A 84 -11.541 -9.877 -24.963 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.500 -11.022 -21.958 1.00 1.00 N ATOM 1317 CA CYS A 85 -8.091 -10.877 -21.559 1.00 1.00 C ATOM 1318 C CYS A 85 -7.292 -10.417 -22.770 1.00 1.00 C ATOM 1319 O CYS A 85 -7.534 -10.917 -23.870 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.552 -12.234 -21.090 1.00 1.00 C ATOM 1321 SG CYS A 85 -5.778 -12.100 -20.724 1.00 1.00 S ATOM 0 H CYS A 85 -9.722 -11.920 -22.387 1.00 1.00 H new ATOM 0 HA CYS A 85 -8.005 -10.152 -20.749 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -8.092 -12.562 -20.202 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -7.718 -12.987 -21.860 1.00 1.00 H new ATOM 0 HG CYS A 85 -5.582 -11.138 -19.872 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.318 -9.507 -22.587 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.473 -9.042 -23.703 1.00 1.00 C ATOM 1329 C GLU A 86 -4.097 -9.681 -23.544 1.00 1.00 C ATOM 1330 O GLU A 86 -3.519 -9.631 -22.457 1.00 1.00 O ATOM 1331 CB GLU A 86 -5.347 -7.507 -23.657 1.00 1.00 C ATOM 1332 CG GLU A 86 -6.709 -6.855 -23.953 1.00 1.00 C ATOM 1333 CD GLU A 86 -6.613 -5.329 -23.857 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -5.531 -4.823 -23.594 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -7.631 -4.684 -24.053 1.00 1.00 O ATOM 0 H GLU A 86 -6.098 -9.082 -21.686 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.914 -9.323 -24.659 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -4.990 -7.193 -22.676 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -4.609 -7.173 -24.386 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -7.045 -7.141 -24.950 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -7.454 -7.222 -23.247 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.577 -10.287 -24.614 1.00 1.00 N ATOM 1343 CA ALA A 87 -2.258 -10.949 -24.581 1.00 1.00 C ATOM 1344 C ALA A 87 -1.462 -10.565 -25.817 1.00 1.00 C ATOM 1345 O ALA A 87 -2.016 -10.489 -26.914 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.456 -12.472 -24.551 1.00 1.00 C ATOM 0 H ALA A 87 -4.046 -10.336 -25.519 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.714 -10.632 -23.691 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.484 -12.965 -24.527 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -3.025 -12.748 -23.663 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -3.000 -12.786 -25.442 1.00 1.00 H new ATOM 1352 N ASP A 88 -0.153 -10.332 -25.647 1.00 1.00 N ATOM 1353 CA ASP A 88 0.724 -9.968 -26.772 1.00 1.00 C ATOM 1354 C ASP A 88 2.102 -10.588 -26.542 1.00 1.00 C ATOM 1355 O ASP A 88 2.636 -10.511 -25.436 1.00 1.00 O ATOM 1356 CB ASP A 88 0.808 -8.427 -26.892 1.00 1.00 C ATOM 1357 CG ASP A 88 -0.582 -7.813 -26.738 1.00 1.00 C ATOM 1358 OD1 ASP A 88 -1.061 -7.757 -25.616 1.00 1.00 O ATOM 1359 OD2 ASP A 88 -1.145 -7.406 -27.740 1.00 1.00 O ATOM 0 H ASP A 88 0.322 -10.388 -24.746 1.00 1.00 H new ATOM 0 HA ASP A 88 0.321 -10.352 -27.709 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.476 -8.031 -26.127 1.00 1.00 H new ATOM 0 HB3 ASP A 88 1.231 -8.152 -27.858 1.00 1.00 H new ATOM 1364 N THR A 89 2.673 -11.220 -27.578 1.00 1.00 N ATOM 1365 CA THR A 89 3.989 -11.869 -27.455 1.00 1.00 C ATOM 1366 C THR A 89 5.107 -10.908 -27.866 1.00 1.00 C ATOM 1367 O THR A 89 6.224 -10.983 -27.360 1.00 1.00 O ATOM 1368 CB THR A 89 4.021 -13.115 -28.365 1.00 1.00 C ATOM 1369 OG1 THR A 89 3.720 -12.732 -29.700 1.00 1.00 O ATOM 1370 CG2 THR A 89 2.985 -14.140 -27.883 1.00 1.00 C ATOM 0 H THR A 89 2.250 -11.296 -28.503 1.00 1.00 H new ATOM 0 HA THR A 89 4.146 -12.157 -26.416 1.00 1.00 H new ATOM 0 HB THR A 89 5.014 -13.563 -28.326 1.00 1.00 H new ATOM 0 HG1 THR A 89 3.742 -13.522 -30.280 1.00 1.00 H new ATOM 0 HG21 THR A 89 3.013 -15.017 -28.530 1.00 1.00 H new ATOM 0 HG22 THR A 89 3.215 -14.436 -26.860 1.00 1.00 H new ATOM 0 HG23 THR A 89 1.990 -13.696 -27.917 1.00 1.00 H new ATOM 1378 N LEU A 90 4.800 -10.023 -28.824 1.00 1.00 N ATOM 1379 CA LEU A 90 5.776 -9.061 -29.352 1.00 1.00 C ATOM 1380 C LEU A 90 6.992 -9.816 -29.907 1.00 1.00 C ATOM 1381 O LEU A 90 8.040 -9.225 -30.169 1.00 1.00 O ATOM 1382 CB LEU A 90 6.190 -8.021 -28.254 1.00 1.00 C ATOM 1383 CG LEU A 90 5.212 -6.816 -28.220 1.00 1.00 C ATOM 1384 CD1 LEU A 90 3.775 -7.293 -27.943 1.00 1.00 C ATOM 1385 CD2 LEU A 90 5.650 -5.832 -27.121 1.00 1.00 C ATOM 0 H LEU A 90 3.876 -9.954 -29.251 1.00 1.00 H new ATOM 0 HA LEU A 90 5.320 -8.497 -30.166 1.00 1.00 H new ATOM 0 HB2 LEU A 90 6.206 -8.506 -27.278 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.202 -7.665 -28.450 1.00 1.00 H new ATOM 0 HG LEU A 90 5.233 -6.319 -29.190 1.00 1.00 H new ATOM 0 HD11 LEU A 90 3.104 -6.434 -27.923 1.00 1.00 H new ATOM 0 HD12 LEU A 90 3.462 -7.980 -28.729 1.00 1.00 H new ATOM 0 HD13 LEU A 90 3.740 -7.803 -26.980 1.00 1.00 H new ATOM 0 HD21 LEU A 90 4.964 -4.985 -27.096 1.00 1.00 H new ATOM 0 HD22 LEU A 90 5.639 -6.337 -26.155 1.00 1.00 H new ATOM 0 HD23 LEU A 90 6.658 -5.476 -27.332 1.00 1.00 H new ATOM 1397 N GLY A 91 6.839 -11.134 -30.057 1.00 1.00 N ATOM 1398 CA GLY A 91 7.919 -11.990 -30.551 1.00 1.00 C ATOM 1399 C GLY A 91 8.910 -12.241 -29.428 1.00 1.00 C ATOM 1400 O GLY A 91 10.058 -12.617 -29.664 1.00 1.00 O ATOM 0 H GLY A 91 5.975 -11.632 -29.843 1.00 1.00 H new ATOM 0 HA2 GLY A 91 7.514 -12.935 -30.913 1.00 1.00 H new ATOM 0 HA3 GLY A 91 8.420 -11.514 -31.394 1.00 1.00 H new ATOM 1404 N SER A 92 8.453 -11.999 -28.198 1.00 1.00 N ATOM 1405 CA SER A 92 9.297 -12.169 -27.021 1.00 1.00 C ATOM 1406 C SER A 92 9.646 -13.642 -26.783 1.00 1.00 C ATOM 1407 O SER A 92 9.133 -14.276 -25.862 1.00 1.00 O ATOM 1408 CB SER A 92 8.600 -11.576 -25.791 1.00 1.00 C ATOM 1409 OG SER A 92 8.413 -10.179 -25.990 1.00 1.00 O ATOM 0 H SER A 92 7.504 -11.685 -27.994 1.00 1.00 H new ATOM 0 HA SER A 92 10.232 -11.637 -27.196 1.00 1.00 H new ATOM 0 HB2 SER A 92 7.639 -12.065 -25.631 1.00 1.00 H new ATOM 0 HB3 SER A 92 9.200 -11.752 -24.898 1.00 1.00 H new ATOM 0 HG SER A 92 7.613 -10.031 -26.536 1.00 1.00 H new ATOM 1415 N CYS A 93 10.564 -14.135 -27.603 1.00 1.00 N ATOM 1416 CA CYS A 93 11.096 -15.499 -27.513 1.00 1.00 C ATOM 1417 C CYS A 93 11.885 -15.684 -26.213 1.00 1.00 C ATOM 1418 O CYS A 93 13.006 -16.193 -26.212 1.00 1.00 O ATOM 1419 CB CYS A 93 12.019 -15.750 -28.718 1.00 1.00 C ATOM 1420 SG CYS A 93 12.584 -17.473 -28.708 1.00 1.00 S ATOM 0 H CYS A 93 10.971 -13.593 -28.365 1.00 1.00 H new ATOM 0 HA CYS A 93 10.269 -16.209 -27.517 1.00 1.00 H new ATOM 0 HB2 CYS A 93 11.488 -15.537 -29.646 1.00 1.00 H new ATOM 0 HB3 CYS A 93 12.875 -15.076 -28.679 1.00 1.00 H new ATOM 0 HG CYS A 93 13.112 -17.750 -27.553 1.00 1.00 H new ATOM 1426 N GLY A 94 11.271 -15.273 -25.105 1.00 1.00 N ATOM 1427 CA GLY A 94 11.881 -15.392 -23.781 1.00 1.00 C ATOM 1428 C GLY A 94 10.846 -15.162 -22.676 1.00 1.00 C ATOM 1429 O GLY A 94 11.043 -15.594 -21.541 1.00 1.00 O ATOM 0 H GLY A 94 10.343 -14.851 -25.098 1.00 1.00 H new ATOM 0 HA2 GLY A 94 12.324 -16.382 -23.669 1.00 1.00 H new ATOM 0 HA3 GLY A 94 12.690 -14.668 -23.683 1.00 1.00 H new ATOM 1433 N TYR A 95 9.734 -14.485 -23.014 1.00 1.00 N ATOM 1434 CA TYR A 95 8.663 -14.201 -22.046 1.00 1.00 C ATOM 1435 C TYR A 95 7.344 -13.920 -22.779 1.00 1.00 C ATOM 1436 O TYR A 95 7.320 -13.778 -23.997 1.00 1.00 O ATOM 1437 CB TYR A 95 9.053 -12.973 -21.189 1.00 1.00 C ATOM 1438 CG TYR A 95 10.208 -13.337 -20.254 1.00 1.00 C ATOM 1439 CD1 TYR A 95 9.939 -13.992 -19.038 1.00 1.00 C ATOM 1440 CD2 TYR A 95 11.538 -13.039 -20.601 1.00 1.00 C ATOM 1441 CE1 TYR A 95 10.986 -14.341 -18.179 1.00 1.00 C ATOM 1442 CE2 TYR A 95 12.583 -13.389 -19.737 1.00 1.00 C ATOM 1443 CZ TYR A 95 12.309 -14.040 -18.528 1.00 1.00 C ATOM 1444 OH TYR A 95 13.342 -14.386 -17.682 1.00 1.00 O ATOM 0 H TYR A 95 9.555 -14.125 -23.951 1.00 1.00 H new ATOM 0 HA TYR A 95 8.529 -15.070 -21.401 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.344 -12.145 -21.835 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.195 -12.637 -20.607 1.00 1.00 H new ATOM 0 HD1 TYR A 95 8.920 -14.226 -18.767 1.00 1.00 H new ATOM 0 HD2 TYR A 95 11.753 -12.540 -21.534 1.00 1.00 H new ATOM 0 HE1 TYR A 95 10.775 -14.843 -17.246 1.00 1.00 H new ATOM 0 HE2 TYR A 95 13.603 -13.156 -20.004 1.00 1.00 H new ATOM 0 HH TYR A 95 14.195 -14.106 -18.075 1.00 1.00 H new ATOM 1454 N VAL A 96 6.247 -13.835 -22.014 1.00 1.00 N ATOM 1455 CA VAL A 96 4.907 -13.555 -22.556 1.00 1.00 C ATOM 1456 C VAL A 96 4.162 -12.611 -21.598 1.00 1.00 C ATOM 1457 O VAL A 96 3.850 -12.990 -20.470 1.00 1.00 O ATOM 1458 CB VAL A 96 4.119 -14.882 -22.713 1.00 1.00 C ATOM 1459 CG1 VAL A 96 2.800 -14.633 -23.470 1.00 1.00 C ATOM 1460 CG2 VAL A 96 4.974 -15.901 -23.499 1.00 1.00 C ATOM 0 H VAL A 96 6.262 -13.958 -21.002 1.00 1.00 H new ATOM 0 HA VAL A 96 4.997 -13.081 -23.533 1.00 1.00 H new ATOM 0 HB VAL A 96 3.893 -15.276 -21.722 1.00 1.00 H new ATOM 0 HG11 VAL A 96 2.257 -15.572 -23.573 1.00 1.00 H new ATOM 0 HG12 VAL A 96 2.190 -13.921 -22.914 1.00 1.00 H new ATOM 0 HG13 VAL A 96 3.019 -14.230 -24.459 1.00 1.00 H new ATOM 0 HG21 VAL A 96 4.420 -16.833 -23.609 1.00 1.00 H new ATOM 0 HG22 VAL A 96 5.205 -15.498 -24.485 1.00 1.00 H new ATOM 0 HG23 VAL A 96 5.901 -16.092 -22.958 1.00 1.00 H new ATOM 1470 N TYR A 97 3.892 -11.376 -22.045 1.00 1.00 N ATOM 1471 CA TYR A 97 3.193 -10.380 -21.209 1.00 1.00 C ATOM 1472 C TYR A 97 1.680 -10.538 -21.363 1.00 1.00 C ATOM 1473 O TYR A 97 1.195 -10.639 -22.491 1.00 1.00 O ATOM 1474 CB TYR A 97 3.595 -8.964 -21.672 1.00 1.00 C ATOM 1475 CG TYR A 97 5.115 -8.846 -21.654 1.00 1.00 C ATOM 1476 CD1 TYR A 97 5.787 -8.420 -20.495 1.00 1.00 C ATOM 1477 CD2 TYR A 97 5.858 -9.171 -22.804 1.00 1.00 C ATOM 1478 CE1 TYR A 97 7.184 -8.319 -20.491 1.00 1.00 C ATOM 1479 CE2 TYR A 97 7.251 -9.071 -22.795 1.00 1.00 C ATOM 1480 CZ TYR A 97 7.916 -8.645 -21.640 1.00 1.00 C ATOM 1481 OH TYR A 97 9.292 -8.549 -21.632 1.00 1.00 O ATOM 0 H TYR A 97 4.144 -11.041 -22.975 1.00 1.00 H new ATOM 0 HA TYR A 97 3.469 -10.531 -20.165 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.215 -8.775 -22.676 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.152 -8.214 -21.017 1.00 1.00 H new ATOM 0 HD1 TYR A 97 5.226 -8.170 -19.607 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.349 -9.499 -23.698 1.00 1.00 H new ATOM 0 HE1 TYR A 97 7.698 -7.989 -19.600 1.00 1.00 H new ATOM 0 HE2 TYR A 97 7.816 -9.323 -23.681 1.00 1.00 H new ATOM 0 HH TYR A 97 9.643 -8.813 -22.508 1.00 1.00 H new ATOM 1491 N ILE A 98 0.923 -10.543 -20.248 1.00 1.00 N ATOM 1492 CA ILE A 98 -0.554 -10.670 -20.317 1.00 1.00 C ATOM 1493 C ILE A 98 -1.219 -9.811 -19.242 1.00 1.00 C ATOM 1494 O ILE A 98 -0.582 -9.412 -18.269 1.00 1.00 O ATOM 1495 CB ILE A 98 -0.986 -12.150 -20.171 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -0.505 -12.716 -18.805 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -0.389 -12.992 -21.323 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -1.013 -14.156 -18.608 1.00 1.00 C ATOM 0 H ILE A 98 1.297 -10.462 -19.303 1.00 1.00 H new ATOM 0 HA ILE A 98 -0.879 -10.313 -21.294 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.074 -12.203 -20.215 1.00 1.00 H new ATOM 0 HG12 ILE A 98 0.584 -12.699 -18.761 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -0.866 -12.083 -17.995 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -0.698 -14.031 -21.212 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -0.746 -12.607 -22.278 1.00 1.00 H new ATOM 0 HG23 ILE A 98 0.699 -12.932 -21.292 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -0.667 -14.536 -17.647 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -2.103 -14.164 -18.630 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -0.630 -14.790 -19.408 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.514 -9.540 -19.428 1.00 1.00 N ATOM 1511 CA ALA A 99 -3.286 -8.739 -18.468 1.00 1.00 C ATOM 1512 C ALA A 99 -4.767 -9.128 -18.517 1.00 1.00 C ATOM 1513 O ALA A 99 -5.290 -9.525 -19.558 1.00 1.00 O ATOM 1514 CB ALA A 99 -3.124 -7.246 -18.767 1.00 1.00 C ATOM 0 H ALA A 99 -3.051 -9.862 -20.233 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.904 -8.939 -17.467 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.702 -6.666 -18.047 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.072 -6.972 -18.692 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.483 -7.036 -19.774 1.00 1.00 H new ATOM 1520 N VAL A 100 -5.420 -9.021 -17.352 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.840 -9.367 -17.177 1.00 1.00 C ATOM 1522 C VAL A 100 -7.571 -8.262 -16.405 1.00 1.00 C ATOM 1523 O VAL A 100 -7.062 -7.718 -15.432 1.00 1.00 O ATOM 1524 CB VAL A 100 -6.957 -10.716 -16.420 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -6.365 -11.837 -17.283 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -6.206 -10.671 -15.080 1.00 1.00 C ATOM 0 H VAL A 100 -4.975 -8.689 -16.496 1.00 1.00 H new ATOM 0 HA VAL A 100 -7.304 -9.464 -18.159 1.00 1.00 H new ATOM 0 HB VAL A 100 -8.012 -10.903 -16.221 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -6.446 -12.786 -16.753 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -6.912 -11.899 -18.224 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -5.316 -11.624 -17.487 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -6.307 -11.631 -14.574 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -5.151 -10.466 -15.261 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -6.627 -9.884 -14.453 1.00 1.00 H new ATOM 1536 N TYR A 101 -8.774 -7.918 -16.857 1.00 1.00 N ATOM 1537 CA TYR A 101 -9.571 -6.870 -16.205 1.00 1.00 C ATOM 1538 C TYR A 101 -11.064 -7.166 -16.434 1.00 1.00 C ATOM 1539 O TYR A 101 -11.417 -7.733 -17.469 1.00 1.00 O ATOM 1540 CB TYR A 101 -9.193 -5.498 -16.800 1.00 1.00 C ATOM 1541 CG TYR A 101 -9.233 -5.573 -18.326 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -10.428 -5.313 -19.018 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -8.072 -5.903 -19.050 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -10.460 -5.381 -20.417 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -8.109 -5.970 -20.448 1.00 1.00 C ATOM 1546 CZ TYR A 101 -9.302 -5.709 -21.130 1.00 1.00 C ATOM 1547 OH TYR A 101 -9.336 -5.774 -22.509 1.00 1.00 O ATOM 0 H TYR A 101 -9.221 -8.345 -17.668 1.00 1.00 H new ATOM 0 HA TYR A 101 -9.371 -6.852 -15.134 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -9.884 -4.733 -16.445 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -8.197 -5.207 -16.466 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -11.324 -5.060 -18.470 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -7.150 -6.105 -18.526 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -11.380 -5.180 -20.946 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -7.216 -6.223 -21.000 1.00 1.00 H new ATOM 0 HH TYR A 101 -8.838 -5.018 -22.884 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.954 -6.821 -15.516 1.00 1.00 N ATOM 1558 CA PRO A 102 -13.416 -7.105 -15.700 1.00 1.00 C ATOM 1559 C PRO A 102 -13.992 -6.313 -16.880 1.00 1.00 C ATOM 1560 O PRO A 102 -13.635 -5.155 -17.095 1.00 1.00 O ATOM 1561 CB PRO A 102 -14.039 -6.691 -14.337 1.00 1.00 C ATOM 1562 CG PRO A 102 -13.102 -5.637 -13.822 1.00 1.00 C ATOM 1563 CD PRO A 102 -11.703 -6.128 -14.227 1.00 1.00 C ATOM 0 HA PRO A 102 -13.628 -8.146 -15.946 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -15.050 -6.302 -14.461 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -14.104 -7.537 -13.653 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -13.322 -4.663 -14.260 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -13.186 -5.527 -12.741 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -11.003 -5.301 -14.343 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -11.280 -6.802 -13.482 1.00 1.00 H new ATOM 1571 N THR A 103 -14.894 -6.948 -17.634 1.00 1.00 N ATOM 1572 CA THR A 103 -15.532 -6.306 -18.786 1.00 1.00 C ATOM 1573 C THR A 103 -16.571 -5.292 -18.301 1.00 1.00 C ATOM 1574 O THR A 103 -17.329 -5.570 -17.373 1.00 1.00 O ATOM 1575 CB THR A 103 -16.199 -7.386 -19.662 1.00 1.00 C ATOM 1576 OG1 THR A 103 -15.250 -8.403 -19.933 1.00 1.00 O ATOM 1577 CG2 THR A 103 -16.676 -6.794 -20.993 1.00 1.00 C ATOM 0 H THR A 103 -15.199 -7.907 -17.467 1.00 1.00 H new ATOM 0 HA THR A 103 -14.784 -5.779 -19.378 1.00 1.00 H new ATOM 0 HB THR A 103 -17.060 -7.787 -19.127 1.00 1.00 H new ATOM 0 HG1 THR A 103 -15.457 -8.822 -20.794 1.00 1.00 H new ATOM 0 HG21 THR A 103 -17.143 -7.576 -21.592 1.00 1.00 H new ATOM 0 HG22 THR A 103 -17.401 -6.003 -20.800 1.00 1.00 H new ATOM 0 HG23 THR A 103 -15.824 -6.382 -21.534 1.00 1.00 H new ATOM 1585 N GLN A 104 -16.600 -4.117 -18.928 1.00 1.00 N ATOM 1586 CA GLN A 104 -17.551 -3.073 -18.543 1.00 1.00 C ATOM 1587 C GLN A 104 -18.983 -3.531 -18.829 1.00 1.00 C ATOM 1588 O GLN A 104 -19.896 -3.271 -18.045 1.00 1.00 O ATOM 1589 CB GLN A 104 -17.230 -1.777 -19.321 1.00 1.00 C ATOM 1590 CG GLN A 104 -18.066 -0.582 -18.796 1.00 1.00 C ATOM 1591 CD GLN A 104 -17.644 -0.207 -17.375 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -18.478 -0.155 -16.471 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -16.390 0.057 -17.125 1.00 1.00 N ATOM 0 H GLN A 104 -15.982 -3.864 -19.699 1.00 1.00 H new ATOM 0 HA GLN A 104 -17.463 -2.878 -17.474 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -16.168 -1.549 -19.229 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -17.433 -1.927 -20.381 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -17.938 0.276 -19.457 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -19.125 -0.839 -18.810 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -15.700 0.013 -17.875 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -16.100 0.307 -16.180 1.00 1.00 H new ATOM 1602 N ARG A 105 -19.170 -4.212 -19.960 1.00 1.00 N ATOM 1603 CA ARG A 105 -20.494 -4.700 -20.349 1.00 1.00 C ATOM 1604 C ARG A 105 -21.061 -5.638 -19.281 1.00 1.00 C ATOM 1605 O ARG A 105 -20.279 -6.344 -18.665 1.00 1.00 O ATOM 1606 CB ARG A 105 -20.400 -5.446 -21.691 1.00 1.00 C ATOM 1607 CG ARG A 105 -19.899 -4.491 -22.790 1.00 1.00 C ATOM 1608 CD ARG A 105 -19.736 -5.257 -24.112 1.00 1.00 C ATOM 1609 NE ARG A 105 -21.033 -5.758 -24.568 1.00 1.00 N ATOM 1610 CZ ARG A 105 -21.149 -6.534 -25.650 1.00 1.00 C ATOM 1611 NH1 ARG A 105 -20.092 -6.862 -26.346 1.00 1.00 N ATOM 1612 NH2 ARG A 105 -22.325 -6.967 -26.013 1.00 1.00 N ATOM 0 H ARG A 105 -18.426 -4.438 -20.620 1.00 1.00 H new ATOM 0 HA ARG A 105 -21.161 -3.844 -20.451 1.00 1.00 H new ATOM 0 HB2 ARG A 105 -19.722 -6.294 -21.598 1.00 1.00 H new ATOM 0 HB3 ARG A 105 -21.377 -5.847 -21.963 1.00 1.00 H new ATOM 0 HG2 ARG A 105 -20.604 -3.670 -22.920 1.00 1.00 H new ATOM 0 HG3 ARG A 105 -18.947 -4.050 -22.495 1.00 1.00 H new ATOM 0 HD2 ARG A 105 -19.304 -4.603 -24.869 1.00 1.00 H new ATOM 0 HD3 ARG A 105 -19.044 -6.088 -23.976 1.00 1.00 H new ATOM 0 HE ARG A 105 -21.872 -5.508 -24.045 1.00 1.00 H new ATOM 0 HH11 ARG A 105 -19.171 -6.525 -26.064 1.00 1.00 H new ATOM 0 HH12 ARG A 105 -20.188 -7.455 -27.171 1.00 1.00 H new ATOM 0 HH21 ARG A 105 -23.151 -6.713 -25.472 1.00 1.00 H new ATOM 0 HH22 ARG A 105 -22.418 -7.559 -26.838 1.00 1.00 H new TER 1626 ARG A 105