USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 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 100 THR OG1 : rot -147:sc= -0.339! USER MOD Set 1.2: A 101 LYS NZ :NH3+ -126:sc= -0.861! (180deg=-0.46!) USER MOD Set 2.1: A 71 ASN : amide:sc= -0.378 K(o=0.64,f=-2.9!) USER MOD Set 2.2: A 74 THR OG1 : rot -161:sc= 1.02 USER MOD Set 3.1: A 12 TYR OH : rot -168:sc= 0.725 USER MOD Set 3.2: A 109 TYR OH : rot 30:sc= 0.703 USER MOD Set 4.1: A 2 GLN : amide:sc= -0.568 K(o=-9.9,f=-13!) USER MOD Set 4.2: A 4 ASN : amide:sc= -1.51 K(o=-9.9,f=-12!) USER MOD Set 4.3: A 117 ASN : amide:sc= -7.8! C(o=-9.9!,f=-16!) USER MOD Single : A 1 GLU N :NH3+ -165:sc= 0.799 (180deg=-0.24) USER MOD Single : A 9 THR OG1 : rot 67:sc= 1.06! USER MOD Single : A 10 TYR OH : rot -175:sc= 0.653 USER MOD Single : A 11 HIS : no HE2:sc= -0.541 K(o=-0.54,f=-1.7) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 18 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.3!) USER MOD Single : A 19 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0.48) USER MOD Single : A 28 SER OG : rot -13:sc= 1.29 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.218 USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00823) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -83:sc= 0.227 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -155:sc= 1.21 USER MOD Single : A 49 THR OG1 : rot -115:sc= 1.05 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -1.11! (180deg=-1.57!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -4.21! C(o=-4.2!,f=-6.5!) USER MOD Single : A 79 THR OG1 : rot 60:sc= -2.09! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 97 THR OG1 : rot -70:sc= -0.0437! USER MOD Single : A 104 THR OG1 : rot 121:sc= 0.183 USER MOD Single : A 105 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.55) USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HE2:sc= 0.158 K(o=0.16,f=-5.8!) USER MOD Single : A 115 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.6!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -4.51! K(o=-4.5!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.701 15.251 -0.728 1.00 0.00 N ATOM 2 CA GLU A 1 3.741 15.194 -2.224 1.00 0.00 C ATOM 3 C GLU A 1 4.887 14.295 -2.740 1.00 0.00 C ATOM 4 O GLU A 1 4.664 13.446 -3.586 1.00 0.00 O ATOM 5 CB GLU A 1 3.863 16.654 -2.728 1.00 0.00 C ATOM 6 CG GLU A 1 2.664 17.489 -2.093 1.00 0.00 C ATOM 7 CD GLU A 1 2.466 18.876 -2.720 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.267 19.247 -3.561 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.491 19.468 -2.286 1.00 0.00 O ATOM 0 H1 GLU A 1 2.789 15.644 -0.420 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.814 14.292 -0.341 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.473 15.857 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 1 2.831 14.737 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.823 17.080 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.818 16.688 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.741 16.919 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.844 17.607 -1.024 1.00 0.00 H new ATOM 18 N GLN A 2 6.079 14.498 -2.231 1.00 0.00 N ATOM 19 CA GLN A 2 7.241 13.665 -2.668 1.00 0.00 C ATOM 20 C GLN A 2 7.955 13.036 -1.464 1.00 0.00 C ATOM 21 O GLN A 2 8.431 13.719 -0.575 1.00 0.00 O ATOM 22 CB GLN A 2 8.212 14.558 -3.476 1.00 0.00 C ATOM 23 CG GLN A 2 9.532 13.758 -3.732 1.00 0.00 C ATOM 24 CD GLN A 2 10.321 14.336 -4.895 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.840 14.445 -6.000 1.00 0.00 O ATOM 26 NE2 GLN A 2 11.537 14.726 -4.731 1.00 0.00 N ATOM 0 H GLN A 2 6.296 15.207 -1.530 1.00 0.00 H new ATOM 0 HA GLN A 2 6.885 12.847 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.758 14.851 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.426 15.476 -2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.147 13.772 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.292 12.715 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.978 14.650 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.060 15.111 -5.518 1.00 0.00 H new ATOM 35 N ALA A 3 8.013 11.733 -1.498 1.00 0.00 N ATOM 36 CA ALA A 3 8.672 10.964 -0.408 1.00 0.00 C ATOM 37 C ALA A 3 9.794 10.136 -1.064 1.00 0.00 C ATOM 38 O ALA A 3 9.611 9.604 -2.148 1.00 0.00 O ATOM 39 CB ALA A 3 7.598 10.086 0.232 1.00 0.00 C ATOM 0 H ALA A 3 7.625 11.161 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 3 9.111 11.590 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.039 9.502 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.803 10.716 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.184 9.412 -0.518 1.00 0.00 H new ATOM 45 N ASN A 4 10.908 10.056 -0.384 1.00 0.00 N ATOM 46 CA ASN A 4 12.086 9.292 -0.899 1.00 0.00 C ATOM 47 C ASN A 4 12.580 8.272 0.152 1.00 0.00 C ATOM 48 O ASN A 4 12.022 8.221 1.228 1.00 0.00 O ATOM 49 CB ASN A 4 13.123 10.378 -1.282 1.00 0.00 C ATOM 50 CG ASN A 4 12.569 11.140 -2.494 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.370 10.627 -3.571 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.279 12.390 -2.417 1.00 0.00 N ATOM 0 H ASN A 4 11.055 10.496 0.524 1.00 0.00 H new ATOM 0 HA ASN A 4 11.861 8.675 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.292 11.058 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.084 9.923 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.908 12.879 -3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.419 12.893 -1.541 1.00 0.00 H new ATOM 59 N ASP A 5 13.594 7.503 -0.161 1.00 0.00 N ATOM 60 CA ASP A 5 14.189 6.440 0.764 1.00 0.00 C ATOM 61 C ASP A 5 13.118 5.815 1.715 1.00 0.00 C ATOM 62 O ASP A 5 13.230 5.786 2.927 1.00 0.00 O ATOM 63 CB ASP A 5 15.373 7.082 1.628 1.00 0.00 C ATOM 64 CG ASP A 5 16.276 6.028 2.340 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.821 5.251 3.171 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.447 6.023 2.025 1.00 0.00 O ATOM 0 H ASP A 5 14.068 7.560 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 5 14.575 5.637 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.993 7.697 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.944 7.745 2.379 1.00 0.00 H new ATOM 71 N VAL A 6 12.071 5.301 1.125 1.00 0.00 N ATOM 72 CA VAL A 6 11.003 4.682 1.974 1.00 0.00 C ATOM 73 C VAL A 6 11.190 3.168 1.892 1.00 0.00 C ATOM 74 O VAL A 6 11.611 2.619 0.889 1.00 0.00 O ATOM 75 CB VAL A 6 9.596 5.083 1.454 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.524 4.382 2.318 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.387 6.602 1.633 1.00 0.00 C ATOM 0 H VAL A 6 11.908 5.281 0.118 1.00 0.00 H new ATOM 0 HA VAL A 6 11.080 5.027 3.005 1.00 0.00 H new ATOM 0 HB VAL A 6 9.516 4.800 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.532 4.657 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.649 3.302 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.634 4.692 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.398 6.879 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.468 6.858 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.147 7.143 1.069 1.00 0.00 H new ATOM 87 N ARG A 7 10.865 2.511 2.972 1.00 0.00 N ATOM 88 CA ARG A 7 11.013 1.023 3.016 1.00 0.00 C ATOM 89 C ARG A 7 9.788 0.397 2.331 1.00 0.00 C ATOM 90 O ARG A 7 8.674 0.558 2.785 1.00 0.00 O ATOM 91 CB ARG A 7 11.089 0.561 4.509 1.00 0.00 C ATOM 92 CG ARG A 7 12.344 -0.317 4.764 1.00 0.00 C ATOM 93 CD ARG A 7 13.623 0.507 5.105 1.00 0.00 C ATOM 94 NE ARG A 7 14.108 1.229 3.877 1.00 0.00 N ATOM 95 CZ ARG A 7 14.569 2.431 3.884 1.00 0.00 C ATOM 96 NH1 ARG A 7 15.725 2.693 4.345 1.00 0.00 N ATOM 97 NH2 ARG A 7 13.858 3.359 3.414 1.00 0.00 N ATOM 0 H ARG A 7 10.504 2.937 3.826 1.00 0.00 H new ATOM 0 HA ARG A 7 11.922 0.710 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.114 1.434 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.191 -0.002 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.136 -1.005 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.538 -0.924 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.404 1.224 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.403 -0.155 5.481 1.00 0.00 H new ATOM 0 HE ARG A 7 14.069 0.736 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.307 1.943 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.070 3.653 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.933 3.152 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.207 4.317 3.411 1.00 0.00 H new ATOM 111 N ALA A 8 10.057 -0.286 1.252 1.00 0.00 N ATOM 112 CA ALA A 8 8.990 -0.952 0.479 1.00 0.00 C ATOM 113 C ALA A 8 9.261 -2.456 0.444 1.00 0.00 C ATOM 114 O ALA A 8 10.190 -2.918 -0.192 1.00 0.00 O ATOM 115 CB ALA A 8 8.981 -0.373 -0.941 1.00 0.00 C ATOM 0 H ALA A 8 10.995 -0.408 0.872 1.00 0.00 H new ATOM 0 HA ALA A 8 8.018 -0.783 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.197 -0.855 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.792 0.700 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.947 -0.551 -1.413 1.00 0.00 H new ATOM 121 N THR A 9 8.457 -3.172 1.168 1.00 0.00 N ATOM 122 CA THR A 9 8.606 -4.659 1.195 1.00 0.00 C ATOM 123 C THR A 9 7.260 -5.198 0.668 1.00 0.00 C ATOM 124 O THR A 9 6.362 -4.447 0.336 1.00 0.00 O ATOM 125 CB THR A 9 8.877 -5.170 2.642 1.00 0.00 C ATOM 126 OG1 THR A 9 8.753 -6.576 2.506 1.00 0.00 O ATOM 127 CG2 THR A 9 7.801 -4.819 3.654 1.00 0.00 C ATOM 0 H THR A 9 7.702 -2.799 1.744 1.00 0.00 H new ATOM 0 HA THR A 9 9.450 -4.995 0.593 1.00 0.00 H new ATOM 0 HB THR A 9 9.820 -4.749 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.480 -6.916 1.943 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.077 -5.216 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.701 -3.735 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.851 -5.253 3.341 1.00 0.00 H new ATOM 135 N TYR A 10 7.156 -6.486 0.595 1.00 0.00 N ATOM 136 CA TYR A 10 5.904 -7.124 0.106 1.00 0.00 C ATOM 137 C TYR A 10 5.304 -7.933 1.267 1.00 0.00 C ATOM 138 O TYR A 10 5.927 -8.164 2.284 1.00 0.00 O ATOM 139 CB TYR A 10 6.252 -8.031 -1.113 1.00 0.00 C ATOM 140 CG TYR A 10 7.467 -8.921 -0.807 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.362 -9.963 0.087 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.685 -8.679 -1.414 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.455 -10.747 0.374 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.786 -9.471 -1.127 1.00 0.00 C ATOM 145 CZ TYR A 10 9.669 -10.517 -0.219 1.00 0.00 C ATOM 146 OH TYR A 10 10.671 -11.381 0.179 1.00 0.00 O ATOM 0 H TYR A 10 7.895 -7.139 0.857 1.00 0.00 H new ATOM 0 HA TYR A 10 5.172 -6.386 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.394 -8.654 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.461 -7.411 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.415 -10.166 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.780 -7.866 -2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.355 -11.559 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.733 -9.276 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 10 11.520 -11.105 -0.225 1.00 0.00 H new ATOM 156 N HIS A 11 4.086 -8.334 1.077 1.00 0.00 N ATOM 157 CA HIS A 11 3.360 -9.130 2.107 1.00 0.00 C ATOM 158 C HIS A 11 2.396 -10.055 1.355 1.00 0.00 C ATOM 159 O HIS A 11 2.439 -10.148 0.147 1.00 0.00 O ATOM 160 CB HIS A 11 2.613 -8.136 3.045 1.00 0.00 C ATOM 161 CG HIS A 11 1.366 -7.558 2.362 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.368 -6.923 1.240 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.031 -7.566 2.737 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.163 -6.564 0.930 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.700 -6.944 1.835 1.00 0.00 N ATOM 0 H HIS A 11 3.546 -8.142 0.233 1.00 0.00 H new ATOM 0 HA HIS A 11 4.022 -9.737 2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.324 -8.646 3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.284 -7.325 3.328 1.00 0.00 H new ATOM 0 HD1 HIS A 11 2.198 -6.731 0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.354 -8.018 3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.097 -6.018 0.035 1.00 0.00 H new ATOM 173 N TYR A 12 1.553 -10.730 2.074 1.00 0.00 N ATOM 174 CA TYR A 12 0.568 -11.649 1.425 1.00 0.00 C ATOM 175 C TYR A 12 -0.816 -11.463 2.105 1.00 0.00 C ATOM 176 O TYR A 12 -0.940 -11.720 3.288 1.00 0.00 O ATOM 177 CB TYR A 12 1.101 -13.096 1.574 1.00 0.00 C ATOM 178 CG TYR A 12 2.427 -13.302 0.791 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.379 -13.668 -0.539 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.674 -13.141 1.379 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.542 -13.872 -1.261 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.846 -13.347 0.645 1.00 0.00 C ATOM 183 CZ TYR A 12 4.781 -13.717 -0.685 1.00 0.00 C ATOM 184 OH TYR A 12 5.886 -13.951 -1.486 1.00 0.00 O ATOM 0 H TYR A 12 1.498 -10.689 3.092 1.00 0.00 H new ATOM 0 HA TYR A 12 0.446 -11.430 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.263 -13.318 2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.351 -13.799 1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.422 -13.797 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.740 -12.853 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.475 -14.159 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.807 -13.216 1.120 1.00 0.00 H new ATOM 0 HH TYR A 12 6.690 -14.002 -0.928 1.00 0.00 H new ATOM 194 N TYR A 13 -1.797 -11.015 1.360 1.00 0.00 N ATOM 195 CA TYR A 13 -3.163 -10.817 1.964 1.00 0.00 C ATOM 196 C TYR A 13 -4.214 -11.611 1.123 1.00 0.00 C ATOM 197 O TYR A 13 -4.272 -12.823 1.190 1.00 0.00 O ATOM 198 CB TYR A 13 -3.375 -9.251 1.987 1.00 0.00 C ATOM 199 CG TYR A 13 -4.214 -8.861 3.214 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.604 -8.886 4.450 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.546 -8.494 3.134 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.306 -8.552 5.591 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.248 -8.160 4.283 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.632 -8.189 5.513 1.00 0.00 C ATOM 205 OH TYR A 13 -6.331 -7.869 6.655 1.00 0.00 O ATOM 0 H TYR A 13 -1.719 -10.779 0.371 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.273 -11.202 2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.411 -8.744 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.876 -8.928 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.565 -9.170 4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.040 -8.468 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.812 -8.576 6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.287 -7.875 4.211 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.253 -7.635 6.419 1.00 0.00 H new ATOM 215 N ARG A 14 -5.012 -10.904 0.357 1.00 0.00 N ATOM 216 CA ARG A 14 -6.073 -11.511 -0.526 1.00 0.00 C ATOM 217 C ARG A 14 -6.093 -10.758 -1.903 1.00 0.00 C ATOM 218 O ARG A 14 -7.064 -10.137 -2.296 1.00 0.00 O ATOM 219 CB ARG A 14 -7.445 -11.426 0.257 1.00 0.00 C ATOM 220 CG ARG A 14 -7.421 -12.556 1.338 1.00 0.00 C ATOM 221 CD ARG A 14 -8.766 -12.744 2.079 1.00 0.00 C ATOM 222 NE ARG A 14 -8.524 -13.884 3.053 1.00 0.00 N ATOM 223 CZ ARG A 14 -9.203 -14.975 3.050 1.00 0.00 C ATOM 224 NH1 ARG A 14 -9.300 -15.548 1.923 1.00 0.00 N ATOM 225 NH2 ARG A 14 -9.717 -15.413 4.135 1.00 0.00 N ATOM 0 H ARG A 14 -4.972 -9.886 0.303 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.876 -12.559 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.564 -10.448 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.287 -11.559 -0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.146 -13.496 0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.644 -12.330 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.059 -11.834 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.570 -12.984 1.383 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.783 -13.778 3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.855 -15.137 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.823 -16.419 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.589 -14.896 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.256 -16.279 4.131 1.00 0.00 H new ATOM 239 N PRO A 15 -4.976 -10.828 -2.596 1.00 0.00 N ATOM 240 CA PRO A 15 -4.835 -10.291 -3.982 1.00 0.00 C ATOM 241 C PRO A 15 -5.729 -11.029 -4.995 1.00 0.00 C ATOM 242 O PRO A 15 -6.731 -11.617 -4.635 1.00 0.00 O ATOM 243 CB PRO A 15 -3.340 -10.434 -4.228 1.00 0.00 C ATOM 244 CG PRO A 15 -2.962 -11.693 -3.440 1.00 0.00 C ATOM 245 CD PRO A 15 -3.699 -11.450 -2.121 1.00 0.00 C ATOM 0 HA PRO A 15 -5.174 -9.262 -4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.117 -10.544 -5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.791 -9.561 -3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.296 -12.605 -3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.885 -11.783 -3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.874 -12.376 -1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.143 -10.787 -1.458 1.00 0.00 H new ATOM 253 N ALA A 16 -5.341 -10.958 -6.250 1.00 0.00 N ATOM 254 CA ALA A 16 -6.097 -11.631 -7.362 1.00 0.00 C ATOM 255 C ALA A 16 -6.575 -13.056 -6.956 1.00 0.00 C ATOM 256 O ALA A 16 -7.516 -13.582 -7.511 1.00 0.00 O ATOM 257 CB ALA A 16 -5.157 -11.617 -8.582 1.00 0.00 C ATOM 0 H ALA A 16 -4.512 -10.449 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.021 -11.105 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.651 -12.095 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.911 -10.587 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.242 -12.159 -8.343 1.00 0.00 H new ATOM 263 N GLN A 17 -5.886 -13.634 -6.005 1.00 0.00 N ATOM 264 CA GLN A 17 -6.197 -14.999 -5.450 1.00 0.00 C ATOM 265 C GLN A 17 -7.708 -15.065 -5.036 1.00 0.00 C ATOM 266 O GLN A 17 -8.373 -16.068 -5.193 1.00 0.00 O ATOM 267 CB GLN A 17 -5.263 -15.200 -4.250 1.00 0.00 C ATOM 268 CG GLN A 17 -5.509 -16.604 -3.636 1.00 0.00 C ATOM 269 CD GLN A 17 -4.693 -16.744 -2.358 1.00 0.00 C ATOM 270 OE1 GLN A 17 -4.796 -15.963 -1.438 1.00 0.00 O ATOM 271 NE2 GLN A 17 -3.859 -17.720 -2.224 1.00 0.00 N ATOM 0 H GLN A 17 -5.077 -13.195 -5.565 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.037 -15.791 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.224 -15.105 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.442 -14.427 -3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.569 -16.739 -3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.227 -17.380 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.743 -18.399 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.316 -17.812 -1.366 1.00 0.00 H new ATOM 280 N ASN A 18 -8.181 -13.963 -4.505 1.00 0.00 N ATOM 281 CA ASN A 18 -9.611 -13.778 -4.042 1.00 0.00 C ATOM 282 C ASN A 18 -10.240 -12.801 -5.078 1.00 0.00 C ATOM 283 O ASN A 18 -11.202 -12.107 -4.819 1.00 0.00 O ATOM 284 CB ASN A 18 -9.613 -13.119 -2.632 1.00 0.00 C ATOM 285 CG ASN A 18 -10.979 -13.213 -1.945 1.00 0.00 C ATOM 286 OD1 ASN A 18 -11.824 -14.008 -2.284 1.00 0.00 O ATOM 287 ND2 ASN A 18 -11.286 -12.443 -0.952 1.00 0.00 N ATOM 0 H ASN A 18 -7.605 -13.133 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.157 -14.719 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.861 -13.602 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.327 -12.071 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.198 -12.528 -0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.616 -11.750 -0.618 1.00 0.00 H new ATOM 294 N ASN A 19 -9.625 -12.808 -6.231 1.00 0.00 N ATOM 295 CA ASN A 19 -9.993 -11.971 -7.419 1.00 0.00 C ATOM 296 C ASN A 19 -9.646 -10.454 -7.187 1.00 0.00 C ATOM 297 O ASN A 19 -10.141 -9.628 -7.919 1.00 0.00 O ATOM 298 CB ASN A 19 -11.522 -12.219 -7.674 1.00 0.00 C ATOM 299 CG ASN A 19 -11.922 -12.009 -9.133 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.776 -10.971 -9.734 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.461 -12.983 -9.797 1.00 0.00 N ATOM 0 H ASN A 19 -8.819 -13.408 -6.409 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.417 -12.252 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.775 -13.237 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.104 -11.548 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.735 -12.847 -10.770 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.611 -13.886 -9.346 1.00 0.00 H new ATOM 308 N TRP A 20 -8.821 -10.131 -6.200 1.00 0.00 N ATOM 309 CA TRP A 20 -8.375 -8.705 -5.830 1.00 0.00 C ATOM 310 C TRP A 20 -9.288 -8.136 -4.698 1.00 0.00 C ATOM 311 O TRP A 20 -10.272 -7.509 -5.046 1.00 0.00 O ATOM 312 CB TRP A 20 -8.504 -7.611 -6.962 1.00 0.00 C ATOM 313 CG TRP A 20 -7.607 -7.597 -8.214 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.242 -7.731 -9.369 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.276 -7.441 -8.447 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.301 -7.658 -10.285 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.077 -7.482 -9.821 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.172 -7.228 -7.642 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.818 -7.322 -10.357 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -3.923 -7.063 -8.203 1.00 0.00 C ATOM 321 CH2 TRP A 20 -3.737 -7.111 -9.550 1.00 0.00 C ATOM 0 H TRP A 20 -8.408 -10.838 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.325 -8.848 -5.575 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.533 -7.652 -7.318 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.374 -6.644 -6.476 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.302 -7.870 -9.525 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.502 -7.732 -11.282 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.288 -7.191 -6.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.685 -7.364 -11.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.073 -6.892 -7.559 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.752 -6.984 -9.973 1.00 0.00 H new ATOM 332 N ASP A 21 -9.027 -8.323 -3.425 1.00 0.00 N ATOM 333 CA ASP A 21 -9.918 -7.767 -2.369 1.00 0.00 C ATOM 334 C ASP A 21 -10.515 -6.325 -2.549 1.00 0.00 C ATOM 335 O ASP A 21 -10.095 -5.371 -1.924 1.00 0.00 O ATOM 336 CB ASP A 21 -9.116 -7.865 -1.080 1.00 0.00 C ATOM 337 CG ASP A 21 -10.074 -8.141 0.058 1.00 0.00 C ATOM 338 OD1 ASP A 21 -10.746 -7.221 0.481 1.00 0.00 O ATOM 339 OD2 ASP A 21 -10.070 -9.314 0.416 1.00 0.00 O ATOM 0 H ASP A 21 -8.224 -8.844 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.834 -8.357 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.375 -8.661 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.571 -6.938 -0.901 1.00 0.00 H new ATOM 344 N LEU A 22 -11.483 -6.217 -3.420 1.00 0.00 N ATOM 345 CA LEU A 22 -12.140 -4.911 -3.668 1.00 0.00 C ATOM 346 C LEU A 22 -13.253 -4.932 -2.639 1.00 0.00 C ATOM 347 O LEU A 22 -13.189 -4.234 -1.656 1.00 0.00 O ATOM 348 CB LEU A 22 -12.657 -4.892 -5.159 1.00 0.00 C ATOM 349 CG LEU A 22 -11.727 -4.077 -6.081 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.842 -2.602 -5.651 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.290 -4.561 -5.907 1.00 0.00 C ATOM 0 H LEU A 22 -11.847 -6.991 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.517 -4.022 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.731 -5.914 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.661 -4.468 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.006 -4.195 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.197 -1.988 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.875 -2.271 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.535 -2.501 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.631 -3.986 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.984 -4.426 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.228 -5.617 -6.169 1.00 0.00 H new ATOM 363 N GLY A 23 -14.238 -5.747 -2.879 1.00 0.00 N ATOM 364 CA GLY A 23 -15.400 -5.866 -1.933 1.00 0.00 C ATOM 365 C GLY A 23 -15.484 -7.293 -1.409 1.00 0.00 C ATOM 366 O GLY A 23 -16.534 -7.905 -1.520 1.00 0.00 O ATOM 0 H GLY A 23 -14.296 -6.349 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.280 -5.169 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.326 -5.599 -2.442 1.00 0.00 H new ATOM 370 N ALA A 24 -14.399 -7.770 -0.855 1.00 0.00 N ATOM 371 CA ALA A 24 -14.383 -9.169 -0.316 1.00 0.00 C ATOM 372 C ALA A 24 -14.981 -9.270 1.115 1.00 0.00 C ATOM 373 O ALA A 24 -14.754 -8.420 1.961 1.00 0.00 O ATOM 374 CB ALA A 24 -12.935 -9.655 -0.312 1.00 0.00 C ATOM 0 H ALA A 24 -13.524 -7.255 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.009 -9.792 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.894 -10.673 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.543 -9.639 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.333 -9.001 0.319 1.00 0.00 H new ATOM 380 N PRO A 25 -15.718 -10.342 1.321 1.00 0.00 N ATOM 381 CA PRO A 25 -16.731 -10.496 2.406 1.00 0.00 C ATOM 382 C PRO A 25 -16.542 -9.680 3.707 1.00 0.00 C ATOM 383 O PRO A 25 -17.163 -8.656 3.896 1.00 0.00 O ATOM 384 CB PRO A 25 -16.779 -12.048 2.652 1.00 0.00 C ATOM 385 CG PRO A 25 -15.766 -12.658 1.635 1.00 0.00 C ATOM 386 CD PRO A 25 -15.627 -11.607 0.532 1.00 0.00 C ATOM 0 HA PRO A 25 -17.674 -10.060 2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.502 -12.292 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.783 -12.441 2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.806 -12.861 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.131 -13.604 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.680 -11.692 -0.000 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.419 -11.685 -0.213 1.00 0.00 H new ATOM 394 N ALA A 26 -15.680 -10.157 4.564 1.00 0.00 N ATOM 395 CA ALA A 26 -15.415 -9.457 5.860 1.00 0.00 C ATOM 396 C ALA A 26 -14.272 -8.410 5.801 1.00 0.00 C ATOM 397 O ALA A 26 -13.656 -8.130 6.812 1.00 0.00 O ATOM 398 CB ALA A 26 -15.125 -10.587 6.889 1.00 0.00 C ATOM 0 H ALA A 26 -15.141 -11.011 4.422 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.280 -8.856 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.921 -10.147 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.991 -11.245 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.259 -11.163 6.563 1.00 0.00 H new ATOM 404 N VAL A 27 -14.018 -7.855 4.636 1.00 0.00 N ATOM 405 CA VAL A 27 -12.925 -6.835 4.490 1.00 0.00 C ATOM 406 C VAL A 27 -13.356 -5.453 3.992 1.00 0.00 C ATOM 407 O VAL A 27 -13.286 -4.459 4.684 1.00 0.00 O ATOM 408 CB VAL A 27 -11.857 -7.335 3.483 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.593 -6.445 3.551 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.471 -8.805 3.721 1.00 0.00 C ATOM 0 H VAL A 27 -14.524 -8.066 3.776 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.553 -6.720 5.508 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.301 -7.267 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.853 -6.809 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.858 -5.417 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.176 -6.481 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.721 -9.107 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.064 -8.916 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.354 -9.435 3.615 1.00 0.00 H new ATOM 420 N SER A 28 -13.810 -5.526 2.773 1.00 0.00 N ATOM 421 CA SER A 28 -14.290 -4.402 1.937 1.00 0.00 C ATOM 422 C SER A 28 -13.221 -3.289 1.878 1.00 0.00 C ATOM 423 O SER A 28 -12.866 -2.711 2.876 1.00 0.00 O ATOM 424 CB SER A 28 -15.635 -3.807 2.502 1.00 0.00 C ATOM 425 OG SER A 28 -15.368 -3.077 3.700 1.00 0.00 O ATOM 0 H SER A 28 -13.869 -6.418 2.282 1.00 0.00 H new ATOM 0 HA SER A 28 -14.474 -4.787 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.096 -3.154 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.344 -4.610 2.703 1.00 0.00 H new ATOM 0 HG SER A 28 -14.460 -3.276 4.009 1.00 0.00 H new ATOM 431 N ALA A 29 -12.699 -2.982 0.718 1.00 0.00 N ATOM 432 CA ALA A 29 -11.643 -1.908 0.571 1.00 0.00 C ATOM 433 C ALA A 29 -12.179 -0.483 0.310 1.00 0.00 C ATOM 434 O ALA A 29 -13.128 -0.324 -0.437 1.00 0.00 O ATOM 435 CB ALA A 29 -10.739 -2.363 -0.584 1.00 0.00 C ATOM 0 H ALA A 29 -12.960 -3.435 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.117 -1.812 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.951 -1.626 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.291 -3.326 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.332 -2.461 -1.493 1.00 0.00 H new ATOM 441 N TYR A 30 -11.574 0.522 0.906 1.00 0.00 N ATOM 442 CA TYR A 30 -12.057 1.940 0.691 1.00 0.00 C ATOM 443 C TYR A 30 -13.191 2.400 -0.243 1.00 0.00 C ATOM 444 O TYR A 30 -14.189 2.894 0.242 1.00 0.00 O ATOM 445 CB TYR A 30 -10.865 2.887 0.289 1.00 0.00 C ATOM 446 CG TYR A 30 -10.677 4.039 1.295 1.00 0.00 C ATOM 447 CD1 TYR A 30 -11.821 4.748 1.635 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.472 4.446 1.827 1.00 0.00 C ATOM 449 CE1 TYR A 30 -11.780 5.830 2.468 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.433 5.547 2.675 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.579 6.243 2.997 1.00 0.00 C ATOM 452 OH TYR A 30 -10.509 7.337 3.829 1.00 0.00 O ATOM 0 H TYR A 30 -10.772 0.429 1.529 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.521 1.990 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.945 2.306 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.048 3.299 -0.703 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.772 4.435 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.564 3.913 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.689 6.360 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.487 5.863 3.089 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.580 7.478 4.106 1.00 0.00 H new ATOM 462 N CYS A 31 -13.030 2.245 -1.525 1.00 0.00 N ATOM 463 CA CYS A 31 -14.112 2.697 -2.459 1.00 0.00 C ATOM 464 C CYS A 31 -14.770 1.549 -3.211 1.00 0.00 C ATOM 465 O CYS A 31 -15.539 1.762 -4.124 1.00 0.00 O ATOM 466 CB CYS A 31 -13.441 3.737 -3.417 1.00 0.00 C ATOM 467 SG CYS A 31 -12.368 4.945 -2.598 1.00 0.00 S ATOM 0 H CYS A 31 -12.210 1.831 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.936 3.146 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.855 3.198 -4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.224 4.273 -3.954 1.00 0.00 H new ATOM 472 N ALA A 32 -14.482 0.337 -2.802 1.00 0.00 N ATOM 473 CA ALA A 32 -15.094 -0.830 -3.507 1.00 0.00 C ATOM 474 C ALA A 32 -16.609 -0.626 -3.725 1.00 0.00 C ATOM 475 O ALA A 32 -17.098 -0.905 -4.794 1.00 0.00 O ATOM 476 CB ALA A 32 -14.792 -2.087 -2.664 1.00 0.00 C ATOM 0 H ALA A 32 -13.862 0.108 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.667 -0.942 -4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.224 -2.962 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.713 -2.216 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.225 -1.971 -1.670 1.00 0.00 H new ATOM 482 N THR A 33 -17.272 -0.150 -2.702 1.00 0.00 N ATOM 483 CA THR A 33 -18.762 0.125 -2.707 1.00 0.00 C ATOM 484 C THR A 33 -19.233 1.086 -3.806 1.00 0.00 C ATOM 485 O THR A 33 -20.398 1.112 -4.147 1.00 0.00 O ATOM 486 CB THR A 33 -19.180 0.749 -1.374 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.721 -0.137 -0.371 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.679 0.679 -1.126 1.00 0.00 C ATOM 0 H THR A 33 -16.825 0.074 -1.813 1.00 0.00 H new ATOM 0 HA THR A 33 -19.221 -0.847 -2.887 1.00 0.00 H new ATOM 0 HB THR A 33 -18.812 1.775 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.961 0.215 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.911 1.138 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 33 -21.204 1.212 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.998 -0.363 -1.117 1.00 0.00 H new ATOM 496 N TRP A 34 -18.296 1.845 -4.308 1.00 0.00 N ATOM 497 CA TRP A 34 -18.534 2.866 -5.381 1.00 0.00 C ATOM 498 C TRP A 34 -17.799 2.594 -6.709 1.00 0.00 C ATOM 499 O TRP A 34 -18.358 2.865 -7.753 1.00 0.00 O ATOM 500 CB TRP A 34 -18.138 4.208 -4.715 1.00 0.00 C ATOM 501 CG TRP A 34 -19.034 4.326 -3.472 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.399 4.274 -3.460 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.588 4.443 -2.214 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.676 4.361 -2.173 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.648 4.464 -1.345 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.290 4.537 -1.758 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.406 4.571 0.003 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.034 4.648 -0.399 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.107 4.662 0.474 1.00 0.00 C ATOM 0 H TRP A 34 -17.324 1.798 -4.003 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.573 2.855 -5.712 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -17.083 4.215 -4.441 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -18.296 5.046 -5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -21.080 4.184 -4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.637 4.349 -1.832 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.470 4.524 -2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.232 4.584 0.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.021 4.722 -0.031 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.929 4.745 1.536 1.00 0.00 H new ATOM 520 N ASP A 35 -16.600 2.084 -6.651 1.00 0.00 N ATOM 521 CA ASP A 35 -15.806 1.779 -7.884 1.00 0.00 C ATOM 522 C ASP A 35 -15.946 0.345 -8.395 1.00 0.00 C ATOM 523 O ASP A 35 -15.885 0.175 -9.599 1.00 0.00 O ATOM 524 CB ASP A 35 -14.322 2.050 -7.604 1.00 0.00 C ATOM 525 CG ASP A 35 -14.011 3.530 -7.675 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.484 4.225 -6.791 1.00 0.00 O ATOM 527 OD2 ASP A 35 -13.307 3.849 -8.627 1.00 0.00 O ATOM 0 H ASP A 35 -16.122 1.859 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 35 -16.207 2.427 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.060 1.668 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.709 1.512 -8.327 1.00 0.00 H new ATOM 532 N ALA A 36 -16.115 -0.621 -7.511 1.00 0.00 N ATOM 533 CA ALA A 36 -16.254 -2.049 -7.957 1.00 0.00 C ATOM 534 C ALA A 36 -16.785 -2.249 -9.386 1.00 0.00 C ATOM 535 O ALA A 36 -16.220 -3.033 -10.112 1.00 0.00 O ATOM 536 CB ALA A 36 -17.155 -2.767 -6.960 1.00 0.00 C ATOM 0 H ALA A 36 -16.162 -0.479 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.247 -2.465 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.273 -3.808 -7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.706 -2.724 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.131 -2.283 -6.938 1.00 0.00 H new ATOM 542 N SER A 37 -17.831 -1.549 -9.753 1.00 0.00 N ATOM 543 CA SER A 37 -18.440 -1.660 -11.129 1.00 0.00 C ATOM 544 C SER A 37 -17.403 -1.659 -12.279 1.00 0.00 C ATOM 545 O SER A 37 -17.551 -2.389 -13.237 1.00 0.00 O ATOM 546 CB SER A 37 -19.429 -0.483 -11.369 1.00 0.00 C ATOM 547 OG SER A 37 -18.614 0.642 -11.687 1.00 0.00 O ATOM 0 H SER A 37 -18.306 -0.884 -9.142 1.00 0.00 H new ATOM 0 HA SER A 37 -18.948 -2.624 -11.146 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.119 -0.710 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.033 -0.291 -10.482 1.00 0.00 H new ATOM 0 HG SER A 37 -19.183 1.422 -11.852 1.00 0.00 H new ATOM 553 N LYS A 38 -16.390 -0.828 -12.156 1.00 0.00 N ATOM 554 CA LYS A 38 -15.311 -0.722 -13.207 1.00 0.00 C ATOM 555 C LYS A 38 -14.761 -2.113 -13.619 1.00 0.00 C ATOM 556 O LYS A 38 -14.328 -2.853 -12.756 1.00 0.00 O ATOM 557 CB LYS A 38 -14.108 0.110 -12.681 1.00 0.00 C ATOM 558 CG LYS A 38 -14.408 1.608 -12.403 1.00 0.00 C ATOM 559 CD LYS A 38 -14.649 2.362 -13.750 1.00 0.00 C ATOM 560 CE LYS A 38 -14.377 3.877 -13.587 1.00 0.00 C ATOM 561 NZ LYS A 38 -15.359 4.492 -12.627 1.00 0.00 N ATOM 0 H LYS A 38 -16.260 -0.206 -11.358 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.774 -0.239 -14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.746 -0.348 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.299 0.047 -13.408 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.286 1.699 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.574 2.061 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.999 1.952 -14.523 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.676 2.206 -14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.361 4.032 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.449 4.371 -14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.171 5.512 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.327 4.346 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.259 4.044 -11.694 1.00 0.00 H new ATOM 575 N PRO A 39 -14.756 -2.459 -14.891 1.00 0.00 N ATOM 576 CA PRO A 39 -14.346 -3.838 -15.315 1.00 0.00 C ATOM 577 C PRO A 39 -12.955 -4.293 -14.769 1.00 0.00 C ATOM 578 O PRO A 39 -12.045 -3.511 -14.552 1.00 0.00 O ATOM 579 CB PRO A 39 -14.434 -3.766 -16.864 1.00 0.00 C ATOM 580 CG PRO A 39 -14.253 -2.245 -17.154 1.00 0.00 C ATOM 581 CD PRO A 39 -15.105 -1.590 -16.054 1.00 0.00 C ATOM 0 HA PRO A 39 -14.989 -4.612 -14.896 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.657 -4.363 -17.341 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.391 -4.136 -17.232 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.208 -1.942 -17.092 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.603 -1.978 -18.151 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.837 -0.547 -15.888 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.170 -1.613 -16.285 1.00 0.00 H new ATOM 589 N LEU A 40 -12.796 -5.578 -14.560 1.00 0.00 N ATOM 590 CA LEU A 40 -11.512 -6.137 -14.036 1.00 0.00 C ATOM 591 C LEU A 40 -10.260 -5.636 -14.757 1.00 0.00 C ATOM 592 O LEU A 40 -9.292 -5.200 -14.155 1.00 0.00 O ATOM 593 CB LEU A 40 -11.671 -7.657 -14.125 1.00 0.00 C ATOM 594 CG LEU A 40 -12.285 -8.182 -12.816 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.750 -9.623 -13.023 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.187 -8.222 -11.739 1.00 0.00 C ATOM 0 H LEU A 40 -13.519 -6.276 -14.735 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.345 -5.798 -13.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.308 -7.919 -14.970 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.703 -8.126 -14.299 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.114 -7.538 -12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.186 -10.001 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.497 -9.654 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.899 -10.243 -13.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.608 -8.593 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.384 -8.884 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.791 -7.218 -11.586 1.00 0.00 H new ATOM 608 N SER A 41 -10.325 -5.741 -16.058 1.00 0.00 N ATOM 609 CA SER A 41 -9.185 -5.287 -16.916 1.00 0.00 C ATOM 610 C SER A 41 -8.606 -3.943 -16.454 1.00 0.00 C ATOM 611 O SER A 41 -7.422 -3.819 -16.228 1.00 0.00 O ATOM 612 CB SER A 41 -9.662 -5.153 -18.352 1.00 0.00 C ATOM 613 OG SER A 41 -8.450 -4.744 -18.965 1.00 0.00 O ATOM 0 H SER A 41 -11.121 -6.123 -16.568 1.00 0.00 H new ATOM 0 HA SER A 41 -8.396 -6.034 -16.835 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.040 -6.092 -18.757 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.457 -4.415 -18.462 1.00 0.00 H new ATOM 0 HG SER A 41 -8.597 -4.613 -19.925 1.00 0.00 H new ATOM 619 N TRP A 42 -9.465 -2.963 -16.315 1.00 0.00 N ATOM 620 CA TRP A 42 -8.971 -1.629 -15.871 1.00 0.00 C ATOM 621 C TRP A 42 -8.318 -1.763 -14.489 1.00 0.00 C ATOM 622 O TRP A 42 -7.167 -1.403 -14.332 1.00 0.00 O ATOM 623 CB TRP A 42 -10.163 -0.662 -15.837 1.00 0.00 C ATOM 624 CG TRP A 42 -9.730 0.719 -15.318 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.045 1.619 -16.069 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.954 1.253 -14.087 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.903 2.635 -15.254 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.407 2.518 -14.044 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.595 0.767 -12.963 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.490 3.292 -12.913 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.684 1.539 -11.818 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.130 2.804 -11.788 1.00 0.00 C ATOM 0 H TRP A 42 -10.468 -3.029 -16.487 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.220 -1.241 -16.559 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.586 -0.564 -16.837 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.947 -1.067 -15.197 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.701 1.521 -17.088 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.420 3.485 -15.546 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.029 -0.222 -12.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.056 4.281 -12.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.188 1.151 -10.945 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.196 3.407 -10.894 1.00 0.00 H new ATOM 643 N ARG A 43 -9.068 -2.280 -13.537 1.00 0.00 N ATOM 644 CA ARG A 43 -8.528 -2.450 -12.149 1.00 0.00 C ATOM 645 C ARG A 43 -7.126 -3.072 -12.103 1.00 0.00 C ATOM 646 O ARG A 43 -6.240 -2.582 -11.428 1.00 0.00 O ATOM 647 CB ARG A 43 -9.531 -3.308 -11.364 1.00 0.00 C ATOM 648 CG ARG A 43 -10.811 -2.458 -11.187 1.00 0.00 C ATOM 649 CD ARG A 43 -11.569 -2.849 -9.902 1.00 0.00 C ATOM 650 NE ARG A 43 -10.790 -2.482 -8.639 1.00 0.00 N ATOM 651 CZ ARG A 43 -9.648 -1.881 -8.678 1.00 0.00 C ATOM 652 NH1 ARG A 43 -9.539 -0.671 -9.076 1.00 0.00 N ATOM 653 NH2 ARG A 43 -8.646 -2.562 -8.315 1.00 0.00 N ATOM 0 H ARG A 43 -10.031 -2.591 -13.665 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.412 -1.462 -11.702 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.752 -4.231 -11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.120 -3.593 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.546 -1.401 -11.148 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.462 -2.592 -12.051 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.538 -2.350 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.763 -3.922 -9.909 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.188 -2.721 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.367 -0.155 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.624 -0.221 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.768 -3.529 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.715 -2.144 -8.323 1.00 0.00 H new ATOM 667 N SER A 44 -6.988 -4.152 -12.821 1.00 0.00 N ATOM 668 CA SER A 44 -5.671 -4.886 -12.900 1.00 0.00 C ATOM 669 C SER A 44 -4.695 -3.969 -13.687 1.00 0.00 C ATOM 670 O SER A 44 -3.667 -3.611 -13.152 1.00 0.00 O ATOM 671 CB SER A 44 -5.921 -6.226 -13.637 1.00 0.00 C ATOM 672 OG SER A 44 -6.634 -5.856 -14.817 1.00 0.00 O ATOM 0 H SER A 44 -7.739 -4.572 -13.369 1.00 0.00 H new ATOM 0 HA SER A 44 -5.245 -5.109 -11.922 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.984 -6.726 -13.880 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.500 -6.915 -13.023 1.00 0.00 H new ATOM 0 HG SER A 44 -7.588 -5.769 -14.609 1.00 0.00 H new ATOM 678 N LYS A 45 -5.043 -3.632 -14.914 1.00 0.00 N ATOM 679 CA LYS A 45 -4.215 -2.731 -15.811 1.00 0.00 C ATOM 680 C LYS A 45 -3.476 -1.704 -14.961 1.00 0.00 C ATOM 681 O LYS A 45 -2.259 -1.635 -14.928 1.00 0.00 O ATOM 682 CB LYS A 45 -5.156 -1.999 -16.844 1.00 0.00 C ATOM 683 CG LYS A 45 -4.397 -0.793 -17.499 1.00 0.00 C ATOM 684 CD LYS A 45 -5.183 -0.225 -18.750 1.00 0.00 C ATOM 685 CE LYS A 45 -4.758 1.249 -19.080 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.370 1.702 -20.385 1.00 0.00 N ATOM 0 H LYS A 45 -5.904 -3.957 -15.353 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.488 -3.332 -16.357 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.478 -2.699 -17.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.055 -1.644 -16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.264 -0.002 -16.761 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.401 -1.112 -17.807 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.997 -0.860 -19.616 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.255 -0.260 -18.553 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.074 1.913 -18.275 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.672 1.315 -19.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.077 2.679 -20.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.048 1.080 -21.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.407 1.659 -20.316 1.00 0.00 H new ATOM 700 N TYR A 46 -4.281 -0.945 -14.281 1.00 0.00 N ATOM 701 CA TYR A 46 -3.718 0.104 -13.404 1.00 0.00 C ATOM 702 C TYR A 46 -3.513 -0.289 -11.966 1.00 0.00 C ATOM 703 O TYR A 46 -4.444 -0.185 -11.183 1.00 0.00 O ATOM 704 CB TYR A 46 -4.620 1.381 -13.437 1.00 0.00 C ATOM 705 CG TYR A 46 -3.796 2.566 -13.946 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.536 2.753 -13.401 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.252 3.457 -14.896 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.761 3.806 -13.802 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.456 4.522 -15.290 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.205 4.692 -14.740 1.00 0.00 C ATOM 711 OH TYR A 46 -1.379 5.729 -15.099 1.00 0.00 O ATOM 0 H TYR A 46 -5.299 -1.006 -14.295 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.726 0.290 -13.816 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.481 1.216 -14.085 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.007 1.593 -12.440 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.164 2.064 -12.657 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.231 3.325 -15.333 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.781 3.939 -13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.818 5.220 -16.030 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.918 6.474 -15.437 1.00 0.00 H new ATOM 721 N GLY A 47 -2.308 -0.734 -11.671 1.00 0.00 N ATOM 722 CA GLY A 47 -1.956 -1.150 -10.264 1.00 0.00 C ATOM 723 C GLY A 47 -2.678 -0.187 -9.323 1.00 0.00 C ATOM 724 O GLY A 47 -2.781 0.977 -9.625 1.00 0.00 O ATOM 0 H GLY A 47 -1.549 -0.828 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.266 -2.178 -10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.878 -1.108 -10.107 1.00 0.00 H new ATOM 728 N TRP A 48 -3.130 -0.651 -8.214 1.00 0.00 N ATOM 729 CA TRP A 48 -3.871 0.127 -7.200 1.00 0.00 C ATOM 730 C TRP A 48 -3.271 -0.122 -5.909 1.00 0.00 C ATOM 731 O TRP A 48 -3.662 -1.005 -5.218 1.00 0.00 O ATOM 732 CB TRP A 48 -5.368 -0.283 -7.270 1.00 0.00 C ATOM 733 CG TRP A 48 -5.581 -1.793 -7.370 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.057 -2.629 -8.329 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.350 -2.491 -6.522 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.550 -3.810 -8.008 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.308 -3.780 -6.957 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.114 -2.236 -5.393 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.941 -4.786 -6.372 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -7.786 -3.276 -4.766 1.00 0.00 C ATOM 741 CH2 TRP A 48 -7.684 -4.568 -5.282 1.00 0.00 C ATOM 0 H TRP A 48 -3.004 -1.627 -7.945 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.819 1.201 -7.381 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.881 0.091 -6.384 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.829 0.199 -8.132 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.400 -2.378 -9.148 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.354 -4.662 -8.534 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.186 -1.231 -5.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.857 -5.784 -6.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -8.383 -3.087 -3.886 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.202 -5.387 -4.804 1.00 0.00 H new ATOM 752 N THR A 49 -2.325 0.674 -5.584 1.00 0.00 N ATOM 753 CA THR A 49 -1.657 0.457 -4.250 1.00 0.00 C ATOM 754 C THR A 49 -2.517 1.052 -3.114 1.00 0.00 C ATOM 755 O THR A 49 -3.686 1.343 -3.327 1.00 0.00 O ATOM 756 CB THR A 49 -0.230 1.099 -4.335 1.00 0.00 C ATOM 757 OG1 THR A 49 0.473 0.622 -3.192 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.211 2.632 -4.152 1.00 0.00 C ATOM 0 H THR A 49 -1.974 1.450 -6.145 1.00 0.00 H new ATOM 0 HA THR A 49 -1.556 -0.604 -4.020 1.00 0.00 H new ATOM 0 HB THR A 49 0.177 0.850 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.681 1.374 -2.599 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.814 2.994 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.817 3.099 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.617 2.887 -3.173 1.00 0.00 H new ATOM 766 N ALA A 50 -1.998 1.249 -1.936 1.00 0.00 N ATOM 767 CA ALA A 50 -2.914 1.807 -0.872 1.00 0.00 C ATOM 768 C ALA A 50 -2.683 3.268 -0.451 1.00 0.00 C ATOM 769 O ALA A 50 -1.640 3.849 -0.681 1.00 0.00 O ATOM 770 CB ALA A 50 -2.791 0.787 0.286 1.00 0.00 C ATOM 0 H ALA A 50 -1.034 1.064 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.929 1.902 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.423 1.102 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.109 -0.196 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.754 0.737 0.618 1.00 0.00 H new ATOM 776 N PHE A 51 -3.672 3.843 0.189 1.00 0.00 N ATOM 777 CA PHE A 51 -3.570 5.282 0.644 1.00 0.00 C ATOM 778 C PHE A 51 -2.757 5.472 1.956 1.00 0.00 C ATOM 779 O PHE A 51 -2.999 6.280 2.835 1.00 0.00 O ATOM 780 CB PHE A 51 -5.049 5.813 0.771 1.00 0.00 C ATOM 781 CG PHE A 51 -5.621 5.668 2.189 1.00 0.00 C ATOM 782 CD1 PHE A 51 -5.940 4.442 2.727 1.00 0.00 C ATOM 783 CD2 PHE A 51 -5.808 6.806 2.948 1.00 0.00 C ATOM 784 CE1 PHE A 51 -6.441 4.345 4.008 1.00 0.00 C ATOM 785 CE2 PHE A 51 -6.307 6.719 4.228 1.00 0.00 C ATOM 786 CZ PHE A 51 -6.624 5.487 4.760 1.00 0.00 C ATOM 0 H PHE A 51 -4.552 3.383 0.421 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.004 5.859 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.078 6.863 0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.685 5.270 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.796 3.547 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.561 7.772 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.689 3.379 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.450 7.614 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.015 5.416 5.764 1.00 0.00 H new ATOM 796 N CYS A 52 -1.730 4.681 1.985 1.00 0.00 N ATOM 797 CA CYS A 52 -0.750 4.611 3.103 1.00 0.00 C ATOM 798 C CYS A 52 0.459 5.467 2.723 1.00 0.00 C ATOM 799 O CYS A 52 1.602 5.050 2.703 1.00 0.00 O ATOM 800 CB CYS A 52 -0.378 3.156 3.279 1.00 0.00 C ATOM 801 SG CYS A 52 -1.506 2.177 4.284 1.00 0.00 S ATOM 0 H CYS A 52 -1.515 4.035 1.225 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.152 4.989 4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.307 2.696 2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.615 3.106 3.726 1.00 0.00 H new ATOM 806 N GLY A 53 0.095 6.691 2.427 1.00 0.00 N ATOM 807 CA GLY A 53 1.068 7.768 2.013 1.00 0.00 C ATOM 808 C GLY A 53 1.002 9.011 2.924 1.00 0.00 C ATOM 809 O GLY A 53 0.546 10.068 2.520 1.00 0.00 O ATOM 0 H GLY A 53 -0.875 7.006 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.080 7.364 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.860 8.064 0.985 1.00 0.00 H new ATOM 813 N PRO A 54 1.453 8.894 4.151 1.00 0.00 N ATOM 814 CA PRO A 54 1.373 10.003 5.152 1.00 0.00 C ATOM 815 C PRO A 54 1.975 11.346 4.653 1.00 0.00 C ATOM 816 O PRO A 54 1.495 12.420 4.972 1.00 0.00 O ATOM 817 CB PRO A 54 2.085 9.409 6.390 1.00 0.00 C ATOM 818 CG PRO A 54 1.824 7.886 6.220 1.00 0.00 C ATOM 819 CD PRO A 54 2.091 7.675 4.732 1.00 0.00 C ATOM 0 HA PRO A 54 0.347 10.300 5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.150 9.641 6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.669 9.792 7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.490 7.287 6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.804 7.615 6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.156 7.621 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.640 6.756 4.359 1.00 0.00 H new ATOM 827 N ALA A 55 3.002 11.240 3.856 1.00 0.00 N ATOM 828 CA ALA A 55 3.716 12.432 3.294 1.00 0.00 C ATOM 829 C ALA A 55 3.093 13.130 2.046 1.00 0.00 C ATOM 830 O ALA A 55 3.681 13.281 0.984 1.00 0.00 O ATOM 831 CB ALA A 55 5.136 11.928 3.023 1.00 0.00 C ATOM 0 H ALA A 55 3.392 10.346 3.558 1.00 0.00 H new ATOM 0 HA ALA A 55 3.654 13.245 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.736 12.737 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.585 11.586 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.100 11.102 2.313 1.00 0.00 H new ATOM 837 N GLY A 56 1.883 13.577 2.216 1.00 0.00 N ATOM 838 CA GLY A 56 1.170 14.271 1.092 1.00 0.00 C ATOM 839 C GLY A 56 -0.330 14.055 1.046 1.00 0.00 C ATOM 840 O GLY A 56 -0.849 13.119 1.620 1.00 0.00 O ATOM 0 H GLY A 56 1.350 13.496 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.364 15.341 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.598 13.933 0.148 1.00 0.00 H new ATOM 844 N PRO A 57 -0.989 14.940 0.337 1.00 0.00 N ATOM 845 CA PRO A 57 -2.443 15.167 0.518 1.00 0.00 C ATOM 846 C PRO A 57 -3.238 13.950 0.009 1.00 0.00 C ATOM 847 O PRO A 57 -3.490 13.755 -1.163 1.00 0.00 O ATOM 848 CB PRO A 57 -2.673 16.469 -0.262 1.00 0.00 C ATOM 849 CG PRO A 57 -1.662 16.326 -1.434 1.00 0.00 C ATOM 850 CD PRO A 57 -0.402 15.806 -0.726 1.00 0.00 C ATOM 0 HA PRO A 57 -2.781 15.269 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.700 16.556 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.470 17.350 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.017 15.629 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.483 17.278 -1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.245 15.245 -1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.197 16.616 -0.310 1.00 0.00 H new ATOM 858 N ARG A 58 -3.633 13.134 0.946 1.00 0.00 N ATOM 859 CA ARG A 58 -4.418 11.897 0.638 1.00 0.00 C ATOM 860 C ARG A 58 -5.390 11.501 1.779 1.00 0.00 C ATOM 861 O ARG A 58 -5.267 12.021 2.872 1.00 0.00 O ATOM 862 CB ARG A 58 -3.317 10.841 0.303 1.00 0.00 C ATOM 863 CG ARG A 58 -3.294 9.583 1.225 1.00 0.00 C ATOM 864 CD ARG A 58 -3.064 9.959 2.716 1.00 0.00 C ATOM 865 NE ARG A 58 -2.273 11.237 2.774 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.051 11.865 3.847 1.00 0.00 C ATOM 867 NH1 ARG A 58 -3.029 12.379 4.472 1.00 0.00 N ATOM 868 NH2 ARG A 58 -0.826 11.877 4.132 1.00 0.00 N ATOM 0 H ARG A 58 -3.441 13.273 1.938 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.109 12.018 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.454 10.513 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.343 11.327 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.237 9.045 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.505 8.906 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.019 10.082 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.529 9.160 3.229 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.898 11.615 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.976 12.281 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.868 12.890 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.155 11.413 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.503 12.351 4.976 1.00 0.00 H new ATOM 882 N GLY A 59 -6.279 10.588 1.495 1.00 0.00 N ATOM 883 CA GLY A 59 -7.299 10.103 2.495 1.00 0.00 C ATOM 884 C GLY A 59 -8.644 9.828 1.803 1.00 0.00 C ATOM 885 O GLY A 59 -8.812 8.748 1.276 1.00 0.00 O ATOM 0 H GLY A 59 -6.349 10.138 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.940 9.194 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.432 10.849 3.278 1.00 0.00 H new ATOM 889 N GLN A 60 -9.539 10.785 1.792 1.00 0.00 N ATOM 890 CA GLN A 60 -10.880 10.572 1.128 1.00 0.00 C ATOM 891 C GLN A 60 -10.848 10.950 -0.387 1.00 0.00 C ATOM 892 O GLN A 60 -10.957 10.100 -1.251 1.00 0.00 O ATOM 893 CB GLN A 60 -11.960 11.441 1.883 1.00 0.00 C ATOM 894 CG GLN A 60 -12.157 11.015 3.393 1.00 0.00 C ATOM 895 CD GLN A 60 -13.241 11.876 4.096 1.00 0.00 C ATOM 896 OE1 GLN A 60 -13.736 12.851 3.577 1.00 0.00 O ATOM 897 NE2 GLN A 60 -13.659 11.579 5.288 1.00 0.00 N ATOM 0 H GLN A 60 -9.407 11.706 2.211 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.133 9.514 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.666 12.490 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.913 11.358 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.440 9.964 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.211 11.115 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.278 10.768 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.369 12.157 5.738 1.00 0.00 H new ATOM 906 N ALA A 61 -10.667 12.210 -0.706 1.00 0.00 N ATOM 907 CA ALA A 61 -10.635 12.625 -2.157 1.00 0.00 C ATOM 908 C ALA A 61 -9.246 12.346 -2.807 1.00 0.00 C ATOM 909 O ALA A 61 -8.674 13.080 -3.601 1.00 0.00 O ATOM 910 CB ALA A 61 -11.009 14.124 -2.183 1.00 0.00 C ATOM 0 H ALA A 61 -10.540 12.968 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.341 12.044 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.002 14.483 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.004 14.258 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.285 14.690 -1.597 1.00 0.00 H new ATOM 916 N ALA A 62 -8.764 11.205 -2.409 1.00 0.00 N ATOM 917 CA ALA A 62 -7.462 10.660 -2.859 1.00 0.00 C ATOM 918 C ALA A 62 -7.761 9.472 -3.792 1.00 0.00 C ATOM 919 O ALA A 62 -6.926 9.126 -4.604 1.00 0.00 O ATOM 920 CB ALA A 62 -6.710 10.240 -1.616 1.00 0.00 C ATOM 0 H ALA A 62 -9.252 10.597 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.854 11.379 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.740 9.830 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.564 11.105 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.283 9.481 -1.083 1.00 0.00 H new ATOM 926 N CYS A 63 -8.936 8.892 -3.664 1.00 0.00 N ATOM 927 CA CYS A 63 -9.376 7.724 -4.503 1.00 0.00 C ATOM 928 C CYS A 63 -9.782 8.240 -5.926 1.00 0.00 C ATOM 929 O CYS A 63 -10.823 7.975 -6.493 1.00 0.00 O ATOM 930 CB CYS A 63 -10.549 7.077 -3.709 1.00 0.00 C ATOM 931 SG CYS A 63 -10.806 5.290 -3.834 1.00 0.00 S ATOM 0 H CYS A 63 -9.635 9.194 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.599 6.979 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.406 7.317 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.471 7.566 -4.025 1.00 0.00 H new ATOM 936 N GLY A 64 -8.881 9.022 -6.454 1.00 0.00 N ATOM 937 CA GLY A 64 -8.984 9.659 -7.810 1.00 0.00 C ATOM 938 C GLY A 64 -7.585 10.039 -8.330 1.00 0.00 C ATOM 939 O GLY A 64 -7.447 10.652 -9.369 1.00 0.00 O ATOM 0 H GLY A 64 -8.017 9.263 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.464 8.972 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.613 10.548 -7.755 1.00 0.00 H new ATOM 943 N LYS A 65 -6.582 9.659 -7.574 1.00 0.00 N ATOM 944 CA LYS A 65 -5.171 9.962 -7.950 1.00 0.00 C ATOM 945 C LYS A 65 -4.284 8.713 -8.008 1.00 0.00 C ATOM 946 O LYS A 65 -4.644 7.618 -7.593 1.00 0.00 O ATOM 947 CB LYS A 65 -4.607 10.958 -6.917 1.00 0.00 C ATOM 948 CG LYS A 65 -5.563 12.166 -6.833 1.00 0.00 C ATOM 949 CD LYS A 65 -4.929 13.267 -5.969 1.00 0.00 C ATOM 950 CE LYS A 65 -5.839 14.492 -5.988 1.00 0.00 C ATOM 951 NZ LYS A 65 -7.125 14.169 -5.274 1.00 0.00 N ATOM 0 H LYS A 65 -6.687 9.144 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.169 10.385 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.513 10.480 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.609 11.284 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.770 12.548 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.517 11.858 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.793 12.913 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.941 13.525 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.344 15.335 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.045 14.790 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.542 15.044 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.790 13.727 -5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.932 13.512 -4.491 1.00 0.00 H new ATOM 965 N CYS A 66 -3.106 8.950 -8.524 1.00 0.00 N ATOM 966 CA CYS A 66 -2.093 7.869 -8.669 1.00 0.00 C ATOM 967 C CYS A 66 -0.760 8.202 -7.952 1.00 0.00 C ATOM 968 O CYS A 66 -0.395 9.319 -7.652 1.00 0.00 O ATOM 969 CB CYS A 66 -1.896 7.638 -10.188 1.00 0.00 C ATOM 970 SG CYS A 66 -3.045 6.489 -10.990 1.00 0.00 S ATOM 0 H CYS A 66 -2.800 9.865 -8.856 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.446 6.958 -8.185 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.971 8.602 -10.692 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.882 7.273 -10.348 1.00 0.00 H new ATOM 975 N LEU A 67 -0.037 7.162 -7.710 1.00 0.00 N ATOM 976 CA LEU A 67 1.285 7.221 -7.019 1.00 0.00 C ATOM 977 C LEU A 67 2.389 6.750 -7.975 1.00 0.00 C ATOM 978 O LEU A 67 2.342 5.633 -8.457 1.00 0.00 O ATOM 979 CB LEU A 67 1.184 6.300 -5.760 1.00 0.00 C ATOM 980 CG LEU A 67 1.359 7.076 -4.442 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.130 6.090 -3.272 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.791 7.590 -4.334 1.00 0.00 C ATOM 0 H LEU A 67 -0.317 6.217 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 67 1.536 8.237 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.215 5.800 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.944 5.521 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 67 0.657 7.910 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.248 6.616 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.123 5.678 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.857 5.280 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.911 8.139 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.482 6.747 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.004 8.252 -5.174 1.00 0.00 H new ATOM 994 N ARG A 68 3.362 7.568 -8.259 1.00 0.00 N ATOM 995 CA ARG A 68 4.422 7.086 -9.181 1.00 0.00 C ATOM 996 C ARG A 68 5.491 6.507 -8.254 1.00 0.00 C ATOM 997 O ARG A 68 5.866 7.132 -7.276 1.00 0.00 O ATOM 998 CB ARG A 68 4.971 8.253 -9.983 1.00 0.00 C ATOM 999 CG ARG A 68 6.119 7.712 -10.850 1.00 0.00 C ATOM 1000 CD ARG A 68 6.435 8.698 -11.935 1.00 0.00 C ATOM 1001 NE ARG A 68 5.193 8.785 -12.795 1.00 0.00 N ATOM 1002 CZ ARG A 68 5.135 8.229 -13.940 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.186 8.239 -14.646 1.00 0.00 N ATOM 1004 NH2 ARG A 68 4.038 7.692 -14.289 1.00 0.00 N ATOM 0 H ARG A 68 3.468 8.519 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 68 4.064 6.350 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.192 8.691 -10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.329 9.041 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.002 7.537 -10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.839 6.753 -11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.688 9.672 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.293 8.371 -12.522 1.00 0.00 H new ATOM 0 HE ARG A 68 4.383 9.301 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.034 8.681 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.184 7.805 -15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.236 7.714 -13.659 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.959 7.239 -15.199 1.00 0.00 H new ATOM 1018 N VAL A 69 5.944 5.341 -8.611 1.00 0.00 N ATOM 1019 CA VAL A 69 6.983 4.640 -7.804 1.00 0.00 C ATOM 1020 C VAL A 69 8.213 4.548 -8.703 1.00 0.00 C ATOM 1021 O VAL A 69 8.148 4.030 -9.804 1.00 0.00 O ATOM 1022 CB VAL A 69 6.454 3.235 -7.419 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.443 2.531 -6.465 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.095 3.356 -6.721 1.00 0.00 C ATOM 0 H VAL A 69 5.635 4.834 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 69 7.227 5.161 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 69 6.349 2.649 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.057 1.546 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.410 2.424 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.561 3.126 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.733 2.363 -6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.202 3.957 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.382 3.834 -7.393 1.00 0.00 H new ATOM 1034 N THR A 70 9.285 5.066 -8.163 1.00 0.00 N ATOM 1035 CA THR A 70 10.613 5.101 -8.858 1.00 0.00 C ATOM 1036 C THR A 70 11.655 4.301 -8.070 1.00 0.00 C ATOM 1037 O THR A 70 11.663 4.337 -6.847 1.00 0.00 O ATOM 1038 CB THR A 70 11.117 6.545 -8.957 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.153 7.294 -9.688 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.381 6.593 -9.828 1.00 0.00 C ATOM 0 H THR A 70 9.297 5.483 -7.232 1.00 0.00 H new ATOM 0 HA THR A 70 10.479 4.670 -9.850 1.00 0.00 H new ATOM 0 HB THR A 70 11.298 6.925 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.451 8.224 -9.765 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.737 7.621 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.155 5.970 -9.380 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.149 6.222 -10.826 1.00 0.00 H new ATOM 1048 N ASN A 71 12.504 3.602 -8.774 1.00 0.00 N ATOM 1049 CA ASN A 71 13.570 2.790 -8.112 1.00 0.00 C ATOM 1050 C ASN A 71 15.015 3.322 -8.382 1.00 0.00 C ATOM 1051 O ASN A 71 15.735 2.712 -9.155 1.00 0.00 O ATOM 1052 CB ASN A 71 13.377 1.381 -8.645 1.00 0.00 C ATOM 1053 CG ASN A 71 14.280 0.466 -7.852 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.002 0.133 -6.729 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.384 0.014 -8.332 1.00 0.00 N ATOM 0 H ASN A 71 12.505 3.558 -9.793 1.00 0.00 H new ATOM 0 HA ASN A 71 13.476 2.840 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.336 1.073 -8.545 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.622 1.336 -9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.975 -0.595 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.669 0.264 -9.279 1.00 0.00 H new ATOM 1062 N PRO A 72 15.440 4.417 -7.771 1.00 0.00 N ATOM 1063 CA PRO A 72 16.673 5.159 -8.219 1.00 0.00 C ATOM 1064 C PRO A 72 17.808 4.195 -8.587 1.00 0.00 C ATOM 1065 O PRO A 72 18.355 4.246 -9.668 1.00 0.00 O ATOM 1066 CB PRO A 72 16.983 6.081 -7.037 1.00 0.00 C ATOM 1067 CG PRO A 72 15.562 6.440 -6.559 1.00 0.00 C ATOM 1068 CD PRO A 72 14.827 5.067 -6.582 1.00 0.00 C ATOM 0 HA PRO A 72 16.536 5.732 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.563 5.578 -6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.551 6.961 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.570 6.877 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.085 7.164 -7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.998 4.496 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.748 5.182 -6.689 1.00 0.00 H new ATOM 1076 N ALA A 73 18.081 3.349 -7.627 1.00 0.00 N ATOM 1077 CA ALA A 73 19.143 2.302 -7.743 1.00 0.00 C ATOM 1078 C ALA A 73 19.280 1.692 -9.169 1.00 0.00 C ATOM 1079 O ALA A 73 20.381 1.494 -9.646 1.00 0.00 O ATOM 1080 CB ALA A 73 18.797 1.242 -6.694 1.00 0.00 C ATOM 0 H ALA A 73 17.592 3.341 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 73 20.123 2.746 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.538 0.443 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.796 1.697 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.810 0.830 -6.905 1.00 0.00 H new ATOM 1086 N THR A 74 18.162 1.408 -9.795 1.00 0.00 N ATOM 1087 CA THR A 74 18.179 0.813 -11.184 1.00 0.00 C ATOM 1088 C THR A 74 17.778 1.863 -12.208 1.00 0.00 C ATOM 1089 O THR A 74 18.255 1.845 -13.324 1.00 0.00 O ATOM 1090 CB THR A 74 17.180 -0.355 -11.368 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.893 0.139 -11.025 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.403 -1.497 -10.386 1.00 0.00 C ATOM 0 H THR A 74 17.231 1.561 -9.407 1.00 0.00 H new ATOM 0 HA THR A 74 19.197 0.448 -11.324 1.00 0.00 H new ATOM 0 HB THR A 74 17.296 -0.713 -12.391 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.294 -0.613 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.670 -2.283 -10.569 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.407 -1.900 -10.518 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.292 -1.127 -9.367 1.00 0.00 H new ATOM 1100 N GLY A 75 16.903 2.750 -11.816 1.00 0.00 N ATOM 1101 CA GLY A 75 16.444 3.830 -12.757 1.00 0.00 C ATOM 1102 C GLY A 75 15.092 3.537 -13.369 1.00 0.00 C ATOM 1103 O GLY A 75 14.632 4.294 -14.196 1.00 0.00 O ATOM 0 H GLY A 75 16.483 2.779 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.397 4.778 -12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.180 3.950 -13.552 1.00 0.00 H new ATOM 1107 N ALA A 76 14.478 2.459 -12.954 1.00 0.00 N ATOM 1108 CA ALA A 76 13.127 2.070 -13.497 1.00 0.00 C ATOM 1109 C ALA A 76 11.977 2.682 -12.655 1.00 0.00 C ATOM 1110 O ALA A 76 12.184 3.127 -11.542 1.00 0.00 O ATOM 1111 CB ALA A 76 13.044 0.531 -13.490 1.00 0.00 C ATOM 0 H ALA A 76 14.854 1.820 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 76 13.014 2.456 -14.510 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.075 0.217 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.836 0.121 -14.116 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.162 0.165 -12.470 1.00 0.00 H new ATOM 1117 N GLN A 77 10.785 2.697 -13.207 1.00 0.00 N ATOM 1118 CA GLN A 77 9.575 3.259 -12.497 1.00 0.00 C ATOM 1119 C GLN A 77 8.233 2.703 -13.046 1.00 0.00 C ATOM 1120 O GLN A 77 8.175 2.169 -14.141 1.00 0.00 O ATOM 1121 CB GLN A 77 9.598 4.831 -12.617 1.00 0.00 C ATOM 1122 CG GLN A 77 9.672 5.336 -14.107 1.00 0.00 C ATOM 1123 CD GLN A 77 8.333 5.308 -14.871 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.551 6.232 -14.828 1.00 0.00 O ATOM 1125 NE2 GLN A 77 7.977 4.303 -15.597 1.00 0.00 N ATOM 0 H GLN A 77 10.590 2.336 -14.141 1.00 0.00 H new ATOM 0 HA GLN A 77 9.632 2.949 -11.454 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.704 5.238 -12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.454 5.219 -12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.054 6.357 -14.110 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.394 4.724 -14.647 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.588 3.490 -15.678 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.084 4.321 -16.090 1.00 0.00 H new ATOM 1134 N ILE A 78 7.209 2.842 -12.244 1.00 0.00 N ATOM 1135 CA ILE A 78 5.804 2.387 -12.578 1.00 0.00 C ATOM 1136 C ILE A 78 4.726 3.381 -11.990 1.00 0.00 C ATOM 1137 O ILE A 78 5.066 4.218 -11.172 1.00 0.00 O ATOM 1138 CB ILE A 78 5.692 0.957 -11.988 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.824 0.019 -12.863 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.118 0.968 -10.558 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.697 -0.563 -14.010 1.00 0.00 C ATOM 0 H ILE A 78 7.285 3.273 -11.323 1.00 0.00 H new ATOM 0 HA ILE A 78 5.613 2.379 -13.651 1.00 0.00 H new ATOM 0 HB ILE A 78 6.712 0.574 -11.967 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.415 -0.788 -12.256 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.978 0.568 -13.276 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.056 -0.054 -10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.769 1.554 -9.909 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.122 1.411 -10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.091 -1.224 -14.629 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.085 0.252 -14.621 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.528 -1.125 -13.585 1.00 0.00 H new ATOM 1153 N THR A 79 3.471 3.278 -12.386 1.00 0.00 N ATOM 1154 CA THR A 79 2.367 4.194 -11.846 1.00 0.00 C ATOM 1155 C THR A 79 1.244 3.369 -11.194 1.00 0.00 C ATOM 1156 O THR A 79 0.603 2.581 -11.869 1.00 0.00 O ATOM 1157 CB THR A 79 1.694 5.043 -12.971 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.697 5.947 -13.374 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.698 6.085 -12.464 1.00 0.00 C ATOM 0 H THR A 79 3.148 2.593 -13.069 1.00 0.00 H new ATOM 0 HA THR A 79 2.856 4.849 -11.126 1.00 0.00 H new ATOM 0 HB THR A 79 1.248 4.334 -13.668 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.473 5.448 -13.704 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.278 6.629 -13.310 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.104 5.587 -11.919 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.208 6.784 -11.801 1.00 0.00 H new ATOM 1167 N ALA A 80 1.008 3.564 -9.924 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.079 2.785 -9.249 1.00 0.00 C ATOM 1169 C ALA A 80 -1.227 3.754 -8.916 1.00 0.00 C ATOM 1170 O ALA A 80 -1.075 4.954 -8.996 1.00 0.00 O ATOM 1171 CB ALA A 80 0.528 2.136 -7.980 1.00 0.00 C ATOM 0 H ALA A 80 1.512 4.220 -9.328 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.481 1.994 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.240 1.560 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.347 1.476 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.904 2.915 -7.317 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.337 3.202 -8.548 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.548 3.994 -8.195 1.00 0.00 C ATOM 1179 C ARG A 81 -3.752 3.955 -6.690 1.00 0.00 C ATOM 1180 O ARG A 81 -3.405 2.968 -6.078 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.694 3.324 -8.947 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.958 4.180 -9.020 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.901 3.411 -9.984 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.325 3.448 -11.379 1.00 0.00 N ATOM 1185 CZ ARG A 81 -5.817 4.527 -11.864 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.626 5.482 -12.065 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -4.574 4.632 -12.129 1.00 0.00 N ATOM 0 H ARG A 81 -2.465 2.193 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.472 5.046 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.365 3.088 -9.959 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.933 2.378 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.411 4.301 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.738 5.180 -9.395 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.016 2.379 -9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.894 3.861 -9.976 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.339 2.602 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.615 5.368 -11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.288 6.365 -12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.948 3.845 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.206 5.503 -12.513 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.282 5.009 -6.143 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.536 5.051 -4.666 1.00 0.00 C ATOM 1203 C ILE A 82 -5.951 4.489 -4.482 1.00 0.00 C ATOM 1204 O ILE A 82 -6.909 5.134 -4.875 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.453 6.515 -4.163 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.978 6.956 -4.258 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.910 6.541 -2.674 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.822 8.441 -3.881 1.00 0.00 C ATOM 0 H ILE A 82 -4.554 5.850 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.804 4.475 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.084 7.180 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.368 6.343 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.610 6.794 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.860 7.562 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.935 6.176 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.255 5.903 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.773 8.727 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.415 9.053 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.168 8.595 -2.859 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.075 3.320 -3.909 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.466 2.775 -3.733 1.00 0.00 C ATOM 1222 C VAL A 83 -7.789 2.107 -2.388 1.00 0.00 C ATOM 1223 O VAL A 83 -8.737 2.471 -1.720 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.705 1.778 -4.886 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -9.100 1.181 -4.763 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.608 2.485 -6.243 1.00 0.00 C ATOM 0 H VAL A 83 -5.313 2.735 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.136 3.635 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.945 0.999 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.268 0.477 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.190 0.661 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.842 1.978 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.780 1.764 -7.042 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.359 3.273 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.616 2.922 -6.356 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.971 1.145 -2.064 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.107 0.346 -0.795 1.00 0.00 C ATOM 1238 C ASP A 84 -6.410 0.930 0.489 1.00 0.00 C ATOM 1239 O ASP A 84 -5.839 2.006 0.493 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.577 -1.060 -1.221 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.809 -2.170 -0.206 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.782 -2.076 0.531 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.953 -3.033 -0.281 1.00 0.00 O ATOM 0 H ASP A 84 -6.181 0.863 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.138 0.344 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.053 -1.342 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.507 -0.984 -1.416 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.492 0.179 1.561 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.915 0.511 2.909 1.00 0.00 C ATOM 1250 C GLN A 85 -4.796 -0.471 3.377 1.00 0.00 C ATOM 1251 O GLN A 85 -4.918 -1.652 3.124 1.00 0.00 O ATOM 1252 CB GLN A 85 -7.137 0.493 3.838 1.00 0.00 C ATOM 1253 CG GLN A 85 -7.573 -0.995 4.174 1.00 0.00 C ATOM 1254 CD GLN A 85 -8.923 -1.046 4.899 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -9.980 -1.082 4.320 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -8.951 -1.050 6.190 1.00 0.00 N ATOM 0 H GLN A 85 -6.973 -0.720 1.553 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.399 1.471 2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.905 1.025 4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.965 1.021 3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.634 -1.572 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.810 -1.465 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.079 -1.020 6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.845 -1.083 6.681 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.749 -0.031 4.040 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.676 -0.999 4.494 1.00 0.00 C ATOM 1267 C CYS A 86 -2.368 -0.846 6.018 1.00 0.00 C ATOM 1268 O CYS A 86 -2.902 0.028 6.672 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.404 -0.714 3.717 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.368 0.530 4.517 1.00 0.00 S ATOM 0 H CYS A 86 -3.586 0.945 4.288 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.034 -2.013 4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.836 -1.638 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.663 -0.376 2.714 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.523 -1.715 6.530 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.138 -1.661 7.994 1.00 0.00 C ATOM 1277 C ALA A 87 0.216 -2.318 8.396 1.00 0.00 C ATOM 1278 O ALA A 87 0.595 -2.271 9.550 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.272 -2.313 8.804 1.00 0.00 C ATOM 0 H ALA A 87 -1.078 -2.464 6.000 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.992 -0.603 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.022 -2.289 9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.200 -1.766 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.399 -3.347 8.485 1.00 0.00 H new ATOM 1285 N ASN A 88 0.927 -2.909 7.470 1.00 0.00 N ATOM 1286 CA ASN A 88 2.238 -3.563 7.831 1.00 0.00 C ATOM 1287 C ASN A 88 3.485 -3.113 7.041 1.00 0.00 C ATOM 1288 O ASN A 88 4.504 -3.770 7.101 1.00 0.00 O ATOM 1289 CB ASN A 88 1.982 -5.091 7.690 1.00 0.00 C ATOM 1290 CG ASN A 88 1.332 -5.342 6.342 1.00 0.00 C ATOM 1291 OD1 ASN A 88 1.846 -4.985 5.309 1.00 0.00 O ATOM 1292 ND2 ASN A 88 0.192 -5.944 6.264 1.00 0.00 N ATOM 0 H ASN A 88 0.666 -2.971 6.486 1.00 0.00 H new ATOM 0 HA ASN A 88 2.508 -3.254 8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.919 -5.642 7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.337 -5.444 8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.240 -6.102 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.276 -6.262 7.113 1.00 0.00 H new ATOM 1299 N GLY A 89 3.372 -2.012 6.338 1.00 0.00 N ATOM 1300 CA GLY A 89 4.537 -1.477 5.524 1.00 0.00 C ATOM 1301 C GLY A 89 4.680 -2.053 4.104 1.00 0.00 C ATOM 1302 O GLY A 89 5.786 -2.265 3.632 1.00 0.00 O ATOM 0 H GLY A 89 2.523 -1.450 6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.437 -0.394 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.459 -1.674 6.071 1.00 0.00 H new ATOM 1306 N GLY A 90 3.562 -2.279 3.462 1.00 0.00 N ATOM 1307 CA GLY A 90 3.570 -2.844 2.065 1.00 0.00 C ATOM 1308 C GLY A 90 2.774 -2.042 1.031 1.00 0.00 C ATOM 1309 O GLY A 90 1.931 -1.214 1.333 1.00 0.00 O ATOM 0 H GLY A 90 2.634 -2.097 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.603 -2.918 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.172 -3.858 2.099 1.00 0.00 H new ATOM 1313 N LEU A 91 3.090 -2.336 -0.200 1.00 0.00 N ATOM 1314 CA LEU A 91 2.423 -1.666 -1.366 1.00 0.00 C ATOM 1315 C LEU A 91 1.692 -2.704 -2.226 1.00 0.00 C ATOM 1316 O LEU A 91 1.833 -3.893 -2.008 1.00 0.00 O ATOM 1317 CB LEU A 91 3.484 -0.932 -2.243 1.00 0.00 C ATOM 1318 CG LEU A 91 4.104 0.261 -1.491 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.246 0.821 -2.344 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.085 1.396 -1.342 1.00 0.00 C ATOM 0 H LEU A 91 3.796 -3.026 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 91 1.704 -0.942 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.269 -1.632 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.018 -0.582 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 91 4.436 -0.082 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.701 1.668 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.996 0.046 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.854 1.148 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.543 2.229 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.765 1.730 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.221 1.038 -0.783 1.00 0.00 H new ATOM 1332 N ASP A 92 0.961 -2.132 -3.152 1.00 0.00 N ATOM 1333 CA ASP A 92 0.122 -2.840 -4.160 1.00 0.00 C ATOM 1334 C ASP A 92 -0.741 -3.979 -3.560 1.00 0.00 C ATOM 1335 O ASP A 92 -0.707 -4.247 -2.376 1.00 0.00 O ATOM 1336 CB ASP A 92 1.140 -3.281 -5.321 1.00 0.00 C ATOM 1337 CG ASP A 92 2.284 -4.217 -4.960 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.901 -5.359 -4.835 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.412 -3.752 -4.864 1.00 0.00 O ATOM 0 H ASP A 92 0.915 -1.118 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.653 -2.193 -4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.558 -3.756 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.573 -2.375 -5.745 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.536 -4.621 -4.371 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.377 -5.725 -3.788 1.00 0.00 C ATOM 1346 C LEU A 93 -1.713 -7.107 -3.874 1.00 0.00 C ATOM 1347 O LEU A 93 -1.707 -7.825 -2.894 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.728 -5.704 -4.523 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.611 -4.467 -4.157 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.676 -4.751 -3.068 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -3.845 -3.171 -3.865 1.00 0.00 C ATOM 0 H LEU A 93 -1.645 -4.447 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.508 -5.548 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.549 -5.709 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.276 -6.616 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.144 -4.284 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.246 -3.843 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.350 -5.535 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.182 -5.075 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.552 -2.377 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.172 -3.328 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.266 -2.885 -4.743 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.186 -7.498 -5.003 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.539 -8.834 -5.068 1.00 0.00 C ATOM 1365 C ASP A 94 0.981 -8.769 -4.706 1.00 0.00 C ATOM 1366 O ASP A 94 1.372 -8.807 -3.557 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.936 -9.293 -6.513 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.325 -10.635 -6.853 1.00 0.00 C ATOM 1369 OD1 ASP A 94 0.797 -10.521 -7.309 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.009 -11.621 -6.622 1.00 0.00 O ATOM 0 H ASP A 94 -1.176 -6.958 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.861 -9.571 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.021 -9.355 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.606 -8.548 -7.237 1.00 0.00 H new ATOM 1375 N TRP A 95 1.778 -8.659 -5.727 1.00 0.00 N ATOM 1376 CA TRP A 95 3.292 -8.581 -5.641 1.00 0.00 C ATOM 1377 C TRP A 95 3.962 -8.540 -7.014 1.00 0.00 C ATOM 1378 O TRP A 95 4.952 -7.859 -7.253 1.00 0.00 O ATOM 1379 CB TRP A 95 3.787 -9.810 -4.916 1.00 0.00 C ATOM 1380 CG TRP A 95 5.298 -10.110 -5.119 1.00 0.00 C ATOM 1381 CD1 TRP A 95 6.336 -9.406 -4.583 1.00 0.00 C ATOM 1382 CD2 TRP A 95 5.799 -11.128 -5.861 1.00 0.00 C ATOM 1383 NE1 TRP A 95 7.403 -10.053 -5.035 1.00 0.00 N ATOM 1384 CE2 TRP A 95 7.173 -11.098 -5.812 1.00 0.00 C ATOM 1385 CE3 TRP A 95 5.165 -12.111 -6.602 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 7.920 -12.035 -6.493 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 5.908 -13.056 -7.288 1.00 0.00 C ATOM 1388 CH2 TRP A 95 7.290 -13.019 -7.234 1.00 0.00 C ATOM 0 H TRP A 95 1.433 -8.616 -6.686 1.00 0.00 H new ATOM 0 HA TRP A 95 3.546 -7.659 -5.118 1.00 0.00 H new ATOM 0 HB2 TRP A 95 3.593 -9.691 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.210 -10.672 -5.251 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.299 -8.535 -3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.350 -9.760 -4.796 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.086 -12.140 -6.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.999 -12.001 -6.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.410 -13.821 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 95 7.874 -13.754 -7.767 1.00 0.00 H new ATOM 1399 N ASP A 96 3.369 -9.304 -7.898 1.00 0.00 N ATOM 1400 CA ASP A 96 3.965 -9.342 -9.266 1.00 0.00 C ATOM 1401 C ASP A 96 3.804 -7.995 -9.974 1.00 0.00 C ATOM 1402 O ASP A 96 4.473 -7.663 -10.935 1.00 0.00 O ATOM 1403 CB ASP A 96 3.296 -10.436 -10.099 1.00 0.00 C ATOM 1404 CG ASP A 96 3.995 -10.586 -11.461 1.00 0.00 C ATOM 1405 OD1 ASP A 96 5.188 -10.325 -11.550 1.00 0.00 O ATOM 1406 OD2 ASP A 96 3.305 -10.963 -12.381 1.00 0.00 O ATOM 0 H ASP A 96 2.539 -9.876 -7.744 1.00 0.00 H new ATOM 0 HA ASP A 96 5.029 -9.557 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.331 -11.383 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.244 -10.194 -10.249 1.00 0.00 H new ATOM 1411 N THR A 97 2.877 -7.283 -9.430 1.00 0.00 N ATOM 1412 CA THR A 97 2.482 -5.932 -9.893 1.00 0.00 C ATOM 1413 C THR A 97 3.670 -4.927 -9.927 1.00 0.00 C ATOM 1414 O THR A 97 4.187 -4.631 -10.986 1.00 0.00 O ATOM 1415 CB THR A 97 1.302 -5.472 -8.935 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.923 -5.113 -7.706 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.421 -6.672 -8.482 1.00 0.00 C ATOM 0 H THR A 97 2.338 -7.605 -8.626 1.00 0.00 H new ATOM 0 HA THR A 97 2.149 -5.959 -10.931 1.00 0.00 H new ATOM 0 HB THR A 97 0.723 -4.709 -9.455 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.258 -5.919 -7.261 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.374 -6.313 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.017 -7.152 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.037 -7.392 -7.943 1.00 0.00 H new ATOM 1425 N VAL A 98 4.073 -4.409 -8.799 1.00 0.00 N ATOM 1426 CA VAL A 98 5.201 -3.439 -8.725 1.00 0.00 C ATOM 1427 C VAL A 98 6.581 -4.068 -8.527 1.00 0.00 C ATOM 1428 O VAL A 98 7.396 -4.090 -9.429 1.00 0.00 O ATOM 1429 CB VAL A 98 4.877 -2.445 -7.584 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.996 -1.393 -7.514 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.551 -1.732 -7.890 1.00 0.00 C ATOM 0 H VAL A 98 3.652 -4.627 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 98 5.277 -2.942 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 98 4.798 -2.982 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.780 -0.685 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.947 -1.886 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.054 -0.860 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.321 -1.031 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.638 -1.189 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.751 -2.469 -7.969 1.00 0.00 H new ATOM 1441 N PHE A 99 6.784 -4.547 -7.323 1.00 0.00 N ATOM 1442 CA PHE A 99 8.081 -5.194 -6.939 1.00 0.00 C ATOM 1443 C PHE A 99 8.825 -5.980 -8.044 1.00 0.00 C ATOM 1444 O PHE A 99 9.982 -5.719 -8.272 1.00 0.00 O ATOM 1445 CB PHE A 99 7.831 -6.138 -5.723 1.00 0.00 C ATOM 1446 CG PHE A 99 9.187 -6.319 -4.996 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.731 -5.236 -4.330 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.901 -7.509 -5.005 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.951 -5.337 -3.695 1.00 0.00 C ATOM 1450 CE2 PHE A 99 11.120 -7.606 -4.371 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.649 -6.523 -3.716 1.00 0.00 C ATOM 0 H PHE A 99 6.092 -4.516 -6.575 1.00 0.00 H new ATOM 0 HA PHE A 99 8.745 -4.362 -6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.088 -5.710 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.442 -7.100 -6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.194 -4.299 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.496 -8.370 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.361 -4.481 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.662 -8.540 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.606 -6.600 -3.221 1.00 0.00 H new ATOM 1461 N THR A 100 8.207 -6.910 -8.731 1.00 0.00 N ATOM 1462 CA THR A 100 9.006 -7.661 -9.811 1.00 0.00 C ATOM 1463 C THR A 100 9.096 -6.909 -11.135 1.00 0.00 C ATOM 1464 O THR A 100 9.825 -7.285 -12.035 1.00 0.00 O ATOM 1465 CB THR A 100 8.388 -9.065 -10.186 1.00 0.00 C ATOM 1466 OG1 THR A 100 7.564 -8.923 -11.343 1.00 0.00 O ATOM 1467 CG2 THR A 100 7.309 -9.366 -9.251 1.00 0.00 C ATOM 0 H THR A 100 7.232 -7.189 -8.617 1.00 0.00 H new ATOM 0 HA THR A 100 9.986 -7.767 -9.346 1.00 0.00 H new ATOM 0 HB THR A 100 9.219 -9.768 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.810 -9.547 -11.286 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.873 -10.334 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.705 -9.395 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.542 -8.594 -9.319 1.00 0.00 H new ATOM 1475 N LYS A 101 8.358 -5.842 -11.224 1.00 0.00 N ATOM 1476 CA LYS A 101 8.371 -5.056 -12.476 1.00 0.00 C ATOM 1477 C LYS A 101 9.387 -3.942 -12.417 1.00 0.00 C ATOM 1478 O LYS A 101 10.092 -3.701 -13.372 1.00 0.00 O ATOM 1479 CB LYS A 101 7.003 -4.437 -12.728 1.00 0.00 C ATOM 1480 CG LYS A 101 5.958 -5.528 -12.957 1.00 0.00 C ATOM 1481 CD LYS A 101 6.232 -6.342 -14.254 1.00 0.00 C ATOM 1482 CE LYS A 101 5.391 -7.597 -14.194 1.00 0.00 C ATOM 1483 NZ LYS A 101 5.950 -8.434 -13.103 1.00 0.00 N ATOM 0 H LYS A 101 7.751 -5.484 -10.487 1.00 0.00 H new ATOM 0 HA LYS A 101 8.633 -5.742 -13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.714 -3.820 -11.877 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.049 -3.780 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.947 -6.204 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.969 -5.074 -13.017 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.979 -5.753 -15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.290 -6.594 -14.332 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.347 -7.354 -13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.422 -8.129 -15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.168 -9.382 -13.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.820 -7.995 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.254 -8.512 -12.334 1.00 0.00 H new ATOM 1497 N ILE A 102 9.428 -3.287 -11.292 1.00 0.00 N ATOM 1498 CA ILE A 102 10.412 -2.152 -11.138 1.00 0.00 C ATOM 1499 C ILE A 102 11.847 -2.623 -10.826 1.00 0.00 C ATOM 1500 O ILE A 102 12.791 -1.848 -10.847 1.00 0.00 O ATOM 1501 CB ILE A 102 9.945 -1.200 -9.999 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.752 -1.978 -8.669 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.627 -0.510 -10.421 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.550 -0.995 -7.515 1.00 0.00 C ATOM 0 H ILE A 102 8.840 -3.474 -10.480 1.00 0.00 H new ATOM 0 HA ILE A 102 10.437 -1.638 -12.099 1.00 0.00 H new ATOM 0 HB ILE A 102 10.712 -0.444 -9.831 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.891 -2.642 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.622 -2.606 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.295 0.158 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.793 0.064 -11.332 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.863 -1.266 -10.602 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.415 -1.548 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.424 -0.349 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.666 -0.386 -7.706 1.00 0.00 H new ATOM 1516 N ASP A 103 11.963 -3.890 -10.552 1.00 0.00 N ATOM 1517 CA ASP A 103 13.287 -4.490 -10.226 1.00 0.00 C ATOM 1518 C ASP A 103 14.030 -5.221 -11.338 1.00 0.00 C ATOM 1519 O ASP A 103 14.175 -6.428 -11.355 1.00 0.00 O ATOM 1520 CB ASP A 103 13.027 -5.401 -9.015 1.00 0.00 C ATOM 1521 CG ASP A 103 12.838 -4.600 -7.732 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.818 -3.382 -7.808 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.719 -5.277 -6.734 1.00 0.00 O ATOM 0 H ASP A 103 11.183 -4.548 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 103 13.982 -3.674 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.139 -6.006 -9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.863 -6.090 -8.893 1.00 0.00 H new ATOM 1528 N THR A 104 14.504 -4.432 -12.265 1.00 0.00 N ATOM 1529 CA THR A 104 15.283 -4.982 -13.439 1.00 0.00 C ATOM 1530 C THR A 104 16.298 -5.990 -12.868 1.00 0.00 C ATOM 1531 O THR A 104 16.258 -7.176 -13.118 1.00 0.00 O ATOM 1532 CB THR A 104 16.020 -3.825 -14.154 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.389 -2.940 -13.102 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.089 -2.940 -14.971 1.00 0.00 C ATOM 0 H THR A 104 14.389 -3.418 -12.269 1.00 0.00 H new ATOM 0 HA THR A 104 14.627 -5.465 -14.163 1.00 0.00 H new ATOM 0 HB THR A 104 16.802 -4.254 -14.781 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.363 -2.832 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.666 -2.147 -15.448 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.595 -3.540 -15.736 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.339 -2.498 -14.315 1.00 0.00 H new ATOM 1542 N ASN A 105 17.206 -5.440 -12.120 1.00 0.00 N ATOM 1543 CA ASN A 105 18.274 -6.255 -11.452 1.00 0.00 C ATOM 1544 C ASN A 105 18.378 -5.848 -9.944 1.00 0.00 C ATOM 1545 O ASN A 105 19.439 -5.953 -9.356 1.00 0.00 O ATOM 1546 CB ASN A 105 19.615 -6.001 -12.201 1.00 0.00 C ATOM 1547 CG ASN A 105 20.048 -4.574 -11.958 1.00 0.00 C ATOM 1548 OD1 ASN A 105 19.791 -3.664 -12.710 1.00 0.00 O ATOM 1549 ND2 ASN A 105 20.712 -4.318 -10.885 1.00 0.00 N ATOM 0 H ASN A 105 17.261 -4.439 -11.934 1.00 0.00 H new ATOM 0 HA ASN A 105 18.036 -7.318 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.380 -6.692 -11.849 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.490 -6.181 -13.269 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.009 -3.363 -10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.941 -5.070 -10.235 1.00 0.00 H new ATOM 1556 N GLY A 106 17.291 -5.412 -9.355 1.00 0.00 N ATOM 1557 CA GLY A 106 17.299 -4.989 -7.895 1.00 0.00 C ATOM 1558 C GLY A 106 16.408 -5.871 -7.025 1.00 0.00 C ATOM 1559 O GLY A 106 15.696 -5.404 -6.161 1.00 0.00 O ATOM 0 H GLY A 106 16.385 -5.326 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.320 -5.024 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.966 -3.954 -7.818 1.00 0.00 H new ATOM 1563 N ILE A 107 16.525 -7.138 -7.306 1.00 0.00 N ATOM 1564 CA ILE A 107 15.800 -8.236 -6.653 1.00 0.00 C ATOM 1565 C ILE A 107 15.380 -7.917 -5.220 1.00 0.00 C ATOM 1566 O ILE A 107 14.211 -7.745 -4.954 1.00 0.00 O ATOM 1567 CB ILE A 107 16.747 -9.486 -6.774 1.00 0.00 C ATOM 1568 CG1 ILE A 107 16.833 -10.020 -8.255 1.00 0.00 C ATOM 1569 CG2 ILE A 107 16.217 -10.660 -5.903 1.00 0.00 C ATOM 1570 CD1 ILE A 107 17.349 -9.001 -9.309 1.00 0.00 C ATOM 0 H ILE A 107 17.158 -7.470 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 107 14.843 -8.425 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 107 17.730 -9.155 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 107 17.486 -10.893 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 107 15.842 -10.358 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 107 16.885 -11.516 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 107 16.175 -10.349 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 107 15.218 -10.940 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 107 17.368 -9.472 -10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 107 16.686 -8.136 -9.334 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.355 -8.679 -9.041 1.00 0.00 H new ATOM 1582 N GLY A 108 16.341 -7.844 -4.336 1.00 0.00 N ATOM 1583 CA GLY A 108 16.085 -7.546 -2.874 1.00 0.00 C ATOM 1584 C GLY A 108 15.214 -8.605 -2.164 1.00 0.00 C ATOM 1585 O GLY A 108 15.258 -8.753 -0.953 1.00 0.00 O ATOM 0 H GLY A 108 17.326 -7.981 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.041 -7.469 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.598 -6.574 -2.791 1.00 0.00 H new ATOM 1589 N TYR A 109 14.440 -9.318 -2.948 1.00 0.00 N ATOM 1590 CA TYR A 109 13.536 -10.374 -2.415 1.00 0.00 C ATOM 1591 C TYR A 109 14.144 -11.195 -1.264 1.00 0.00 C ATOM 1592 O TYR A 109 13.446 -11.385 -0.290 1.00 0.00 O ATOM 1593 CB TYR A 109 13.134 -11.291 -3.579 1.00 0.00 C ATOM 1594 CG TYR A 109 11.917 -12.121 -3.101 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.644 -11.612 -3.277 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.052 -13.347 -2.475 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.530 -12.306 -2.836 1.00 0.00 C ATOM 1598 CE2 TYR A 109 10.927 -14.039 -2.034 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.661 -13.520 -2.213 1.00 0.00 C ATOM 1600 OH TYR A 109 8.531 -14.184 -1.778 1.00 0.00 O ATOM 0 H TYR A 109 14.400 -9.205 -3.961 1.00 0.00 H new ATOM 0 HA TYR A 109 12.666 -9.879 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.878 -10.705 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.961 -11.944 -3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.516 -10.658 -3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.035 -13.770 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.546 -11.886 -2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.047 -14.995 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 109 7.775 -13.957 -2.358 1.00 0.00 H new ATOM 1610 N GLN A 110 15.372 -11.628 -1.450 1.00 0.00 N ATOM 1611 CA GLN A 110 16.118 -12.441 -0.428 1.00 0.00 C ATOM 1612 C GLN A 110 15.972 -11.899 1.006 1.00 0.00 C ATOM 1613 O GLN A 110 15.452 -12.586 1.862 1.00 0.00 O ATOM 1614 CB GLN A 110 17.629 -12.480 -0.820 1.00 0.00 C ATOM 1615 CG GLN A 110 17.875 -13.457 -2.007 1.00 0.00 C ATOM 1616 CD GLN A 110 19.368 -13.535 -2.361 1.00 0.00 C ATOM 1617 OE1 GLN A 110 20.248 -13.192 -1.604 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.728 -13.992 -3.515 1.00 0.00 N ATOM 0 H GLN A 110 15.907 -11.445 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 110 15.684 -13.441 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.963 -11.479 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.223 -12.790 0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.508 -14.450 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.309 -13.126 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.022 -14.294 -4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.718 -14.051 -3.754 1.00 0.00 H new ATOM 1627 N GLN A 111 16.436 -10.690 1.214 1.00 0.00 N ATOM 1628 CA GLN A 111 16.339 -10.081 2.577 1.00 0.00 C ATOM 1629 C GLN A 111 14.864 -9.733 2.845 1.00 0.00 C ATOM 1630 O GLN A 111 14.422 -9.791 3.974 1.00 0.00 O ATOM 1631 CB GLN A 111 17.254 -8.807 2.639 1.00 0.00 C ATOM 1632 CG GLN A 111 18.769 -9.217 2.444 1.00 0.00 C ATOM 1633 CD GLN A 111 19.749 -8.136 2.929 1.00 0.00 C ATOM 1634 OE1 GLN A 111 20.380 -8.230 3.961 1.00 0.00 O ATOM 1635 NE2 GLN A 111 19.930 -7.066 2.226 1.00 0.00 N ATOM 0 H GLN A 111 16.874 -10.103 0.504 1.00 0.00 H new ATOM 0 HA GLN A 111 16.681 -10.775 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.958 -8.099 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 111 17.126 -8.304 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.962 -10.144 2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.952 -9.419 1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.423 -6.939 1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 111 20.580 -6.349 2.547 1.00 0.00 H new ATOM 1644 N GLY A 112 14.167 -9.373 1.792 1.00 0.00 N ATOM 1645 CA GLY A 112 12.708 -9.020 1.915 1.00 0.00 C ATOM 1646 C GLY A 112 12.367 -7.547 1.691 1.00 0.00 C ATOM 1647 O GLY A 112 11.210 -7.194 1.590 1.00 0.00 O ATOM 0 H GLY A 112 14.545 -9.307 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.146 -9.618 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.365 -9.307 2.909 1.00 0.00 H new ATOM 1651 N HIS A 113 13.371 -6.712 1.642 1.00 0.00 N ATOM 1652 CA HIS A 113 13.127 -5.249 1.426 1.00 0.00 C ATOM 1653 C HIS A 113 14.113 -4.577 0.433 1.00 0.00 C ATOM 1654 O HIS A 113 15.264 -4.943 0.274 1.00 0.00 O ATOM 1655 CB HIS A 113 13.191 -4.513 2.839 1.00 0.00 C ATOM 1656 CG HIS A 113 14.277 -3.416 2.975 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.337 -2.309 2.306 1.00 0.00 N ATOM 1658 CD2 HIS A 113 15.378 -3.355 3.803 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.386 -1.628 2.693 1.00 0.00 C ATOM 1660 NE2 HIS A 113 16.061 -2.247 3.625 1.00 0.00 N ATOM 0 H HIS A 113 14.351 -6.977 1.742 1.00 0.00 H new ATOM 0 HA HIS A 113 12.143 -5.153 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.219 -4.063 3.038 1.00 0.00 H new ATOM 0 HB3 HIS A 113 13.359 -5.263 3.612 1.00 0.00 H new ATOM 0 HD1 HIS A 113 13.672 -2.014 1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.646 -4.125 4.512 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.662 -0.665 2.288 1.00 0.00 H new ATOM 1668 N LEU A 114 13.563 -3.598 -0.218 1.00 0.00 N ATOM 1669 CA LEU A 114 14.300 -2.771 -1.210 1.00 0.00 C ATOM 1670 C LEU A 114 14.091 -1.312 -0.740 1.00 0.00 C ATOM 1671 O LEU A 114 13.250 -1.042 0.112 1.00 0.00 O ATOM 1672 CB LEU A 114 13.692 -3.030 -2.603 1.00 0.00 C ATOM 1673 CG LEU A 114 14.425 -2.209 -3.714 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.931 -2.552 -3.768 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.849 -2.634 -5.061 1.00 0.00 C ATOM 0 H LEU A 114 12.588 -3.324 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 114 15.364 -2.998 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.754 -4.093 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.634 -2.767 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 114 14.293 -1.149 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.410 -1.964 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.391 -2.321 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.055 -3.613 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.341 -2.078 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.015 -3.701 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.779 -2.427 -5.081 1.00 0.00 H new ATOM 1687 N ASN A 115 14.862 -0.414 -1.288 1.00 0.00 N ATOM 1688 CA ASN A 115 14.758 1.031 -0.918 1.00 0.00 C ATOM 1689 C ASN A 115 14.339 1.792 -2.217 1.00 0.00 C ATOM 1690 O ASN A 115 15.066 1.876 -3.194 1.00 0.00 O ATOM 1691 CB ASN A 115 16.144 1.407 -0.379 1.00 0.00 C ATOM 1692 CG ASN A 115 16.095 2.765 0.293 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.606 3.712 -0.272 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.575 2.947 1.478 1.00 0.00 N ATOM 0 H ASN A 115 15.573 -0.622 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 115 14.019 1.277 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.482 0.653 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.867 1.423 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.534 3.871 1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.995 2.167 1.983 1.00 0.00 H new ATOM 1701 N VAL A 116 13.142 2.317 -2.153 1.00 0.00 N ATOM 1702 CA VAL A 116 12.550 3.074 -3.310 1.00 0.00 C ATOM 1703 C VAL A 116 12.047 4.496 -2.957 1.00 0.00 C ATOM 1704 O VAL A 116 12.057 4.918 -1.810 1.00 0.00 O ATOM 1705 CB VAL A 116 11.383 2.206 -3.875 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.864 0.755 -4.137 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.261 2.136 -2.816 1.00 0.00 C ATOM 0 H VAL A 116 12.535 2.255 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 116 13.337 3.238 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 116 11.032 2.655 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.038 0.163 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.679 0.767 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.214 0.314 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.438 1.532 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.650 1.685 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.902 3.142 -2.599 1.00 0.00 H new ATOM 1717 N ASN A 117 11.613 5.175 -3.994 1.00 0.00 N ATOM 1718 CA ASN A 117 11.084 6.578 -3.856 1.00 0.00 C ATOM 1719 C ASN A 117 9.743 6.735 -4.592 1.00 0.00 C ATOM 1720 O ASN A 117 9.492 6.022 -5.547 1.00 0.00 O ATOM 1721 CB ASN A 117 12.129 7.518 -4.448 1.00 0.00 C ATOM 1722 CG ASN A 117 13.426 7.297 -3.717 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.847 8.032 -2.867 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.127 6.263 -4.003 1.00 0.00 N ATOM 0 H ASN A 117 11.602 4.813 -4.947 1.00 0.00 H new ATOM 0 HA ASN A 117 10.904 6.812 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.255 7.324 -5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.808 8.555 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.006 6.091 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.806 5.612 -4.719 1.00 0.00 H new ATOM 1731 N TYR A 118 8.912 7.653 -4.164 1.00 0.00 N ATOM 1732 CA TYR A 118 7.611 7.815 -4.878 1.00 0.00 C ATOM 1733 C TYR A 118 7.066 9.251 -4.826 1.00 0.00 C ATOM 1734 O TYR A 118 7.276 10.007 -3.887 1.00 0.00 O ATOM 1735 CB TYR A 118 6.596 6.805 -4.270 1.00 0.00 C ATOM 1736 CG TYR A 118 6.142 7.113 -2.830 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.291 8.172 -2.572 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.552 6.321 -1.775 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.856 8.433 -1.289 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.111 6.589 -0.488 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.260 7.644 -0.241 1.00 0.00 C ATOM 1742 OH TYR A 118 4.796 7.909 1.035 1.00 0.00 O ATOM 0 H TYR A 118 9.071 8.280 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 118 7.770 7.608 -5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.715 6.770 -4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.043 5.811 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.963 8.803 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.218 5.490 -1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.192 9.265 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.438 5.964 0.330 1.00 0.00 H new ATOM 0 HH TYR A 118 5.175 7.259 1.663 1.00 0.00 H new ATOM 1752 N GLN A 119 6.361 9.583 -5.863 1.00 0.00 N ATOM 1753 CA GLN A 119 5.749 10.944 -6.001 1.00 0.00 C ATOM 1754 C GLN A 119 4.244 10.871 -6.394 1.00 0.00 C ATOM 1755 O GLN A 119 3.891 10.085 -7.254 1.00 0.00 O ATOM 1756 CB GLN A 119 6.552 11.720 -7.081 1.00 0.00 C ATOM 1757 CG GLN A 119 7.938 12.228 -6.559 1.00 0.00 C ATOM 1758 CD GLN A 119 9.042 11.173 -6.441 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.645 10.753 -7.406 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.338 10.721 -5.266 1.00 0.00 N ATOM 0 H GLN A 119 6.174 8.957 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 119 5.795 11.456 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.709 11.074 -7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.963 12.571 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.287 13.017 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.790 12.681 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.839 11.066 -4.446 1.00 0.00 H new ATOM 0 HE22 GLN A 119 10.071 10.020 -5.159 1.00 0.00 H new ATOM 1769 N PHE A 120 3.389 11.661 -5.782 1.00 0.00 N ATOM 1770 CA PHE A 120 1.926 11.590 -6.176 1.00 0.00 C ATOM 1771 C PHE A 120 1.868 12.143 -7.632 1.00 0.00 C ATOM 1772 O PHE A 120 2.358 13.213 -7.943 1.00 0.00 O ATOM 1773 CB PHE A 120 1.024 12.477 -5.232 1.00 0.00 C ATOM 1774 CG PHE A 120 0.891 11.947 -3.777 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.947 12.081 -2.914 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.264 11.355 -3.290 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.887 11.659 -1.604 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.339 10.923 -1.971 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.739 11.077 -1.126 1.00 0.00 C ATOM 0 H PHE A 120 3.621 12.333 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 120 1.549 10.570 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.436 13.486 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.028 12.553 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.859 12.534 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.115 11.228 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.741 11.786 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.246 10.464 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.681 10.744 -0.100 1.00 0.00 H new ATOM 1789 N VAL A 121 1.242 11.353 -8.459 1.00 0.00 N ATOM 1790 CA VAL A 121 1.059 11.628 -9.917 1.00 0.00 C ATOM 1791 C VAL A 121 -0.388 11.410 -10.406 1.00 0.00 C ATOM 1792 O VAL A 121 -1.253 10.950 -9.678 1.00 0.00 O ATOM 1793 CB VAL A 121 2.102 10.683 -10.636 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.454 9.699 -11.652 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.119 11.535 -11.414 1.00 0.00 C ATOM 0 H VAL A 121 0.823 10.471 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 121 1.236 12.678 -10.148 1.00 0.00 H new ATOM 0 HB VAL A 121 2.569 10.098 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.229 9.082 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.739 9.060 -11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.939 10.265 -12.428 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.838 10.882 -11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.597 12.133 -12.161 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.644 12.195 -10.724 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.580 11.774 -11.649 1.00 0.00 N ATOM 1806 CA ASP A 122 -1.890 11.641 -12.298 1.00 0.00 C ATOM 1807 C ASP A 122 -1.997 10.241 -12.970 1.00 0.00 C ATOM 1808 O ASP A 122 -1.016 9.619 -13.333 1.00 0.00 O ATOM 1809 CB ASP A 122 -1.966 12.824 -13.292 1.00 0.00 C ATOM 1810 CG ASP A 122 -2.945 12.564 -14.404 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.015 12.052 -14.108 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -2.517 12.911 -15.495 1.00 0.00 O ATOM 0 H ASP A 122 0.148 12.168 -12.246 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.734 11.689 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.256 13.728 -12.757 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -0.978 13.007 -13.714 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.201 9.786 -13.138 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.422 8.452 -13.769 1.00 0.00 C ATOM 1819 C CYS A 123 -3.568 8.525 -15.275 1.00 0.00 C ATOM 1820 O CYS A 123 -3.161 7.613 -15.970 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.681 7.809 -13.204 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.730 7.517 -11.422 1.00 0.00 S ATOM 0 H CYS A 123 -4.050 10.280 -12.865 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.537 7.858 -13.540 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.530 8.440 -13.466 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.827 6.853 -13.707 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.126 9.630 -15.687 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.396 9.926 -17.127 1.00 0.00 C ATOM 1829 C ARG A 124 -4.705 8.645 -17.904 1.00 0.00 C ATOM 1830 O ARG A 124 -4.029 8.281 -18.845 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.163 10.627 -17.621 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.320 11.343 -18.973 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.066 12.237 -19.140 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.892 11.312 -18.975 1.00 0.00 N ATOM 1835 CZ ARG A 124 0.036 11.447 -18.095 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -0.247 11.745 -16.880 1.00 0.00 N ATOM 1837 NH2 ARG A 124 1.239 11.261 -18.476 1.00 0.00 N ATOM 0 H ARG A 124 -4.420 10.375 -15.055 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.277 10.553 -17.266 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.855 11.358 -16.873 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.357 9.897 -17.705 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.395 10.623 -19.788 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.230 11.942 -18.992 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.053 12.717 -20.118 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.048 13.032 -18.394 1.00 0.00 H new ATOM 0 HE ARG A 124 -0.827 10.516 -19.610 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.219 11.878 -16.601 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.500 11.849 -16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.434 11.015 -19.446 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.006 11.358 -17.810 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.731 8.012 -17.419 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.209 6.755 -18.028 1.00 0.00 C ATOM 1853 C ASP A 125 -7.238 7.226 -19.088 1.00 0.00 C ATOM 1854 O ASP A 125 -8.273 7.741 -18.680 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.791 5.909 -16.855 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.139 4.511 -17.311 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.229 3.780 -17.675 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.318 4.236 -17.251 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.913 7.059 -20.255 1.00 0.00 O ATOM 0 H ASP A 125 -6.267 8.323 -16.609 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.473 6.123 -18.525 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.065 5.860 -16.043 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.681 6.397 -16.458 1.00 0.00 H new TER 1864 ASP A 125