USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 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 71 ASN : amide:sc= 0.687 K(o=0.97,f=-0.41) USER MOD Set 1.2: A 74 THR OG1 : rot -26:sc= 0.787 USER MOD Set 1.3: A 104 THR OG1 : rot -150:sc= -0.5 USER MOD Set 2.1: A 70 THR OG1 : rot 140:sc= -1.03 USER MOD Set 2.2: A 77 GLN : amide:sc= -0.0368 K(o=-1.1,f=-2.6) USER MOD Set 3.1: A 4 ASN : amide:sc= -2.63! K(o=-5.6!,f=-1.6) USER MOD Set 3.2: A 119 GLN : amide:sc= -2.92 K(o=-5.6,f=-1.6) USER MOD Single : A 1 GLU N :NH3+ -144:sc= -0.235 (180deg=-1.08) USER MOD Single : A 2 GLN : amide:sc=-0.00539 X(o=-0.0054,f=-0.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 11 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.49) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=0.5) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 28 SER OG : rot 56:sc= 1.11 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 37 SER OG : rot -91:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.194) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 44 SER OG : rot -77:sc= 0.649 USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 1.17 (180deg=-0.198) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -17:sc= 0.0521 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.16) USER MOD Single : A 88 ASN : amide:sc= -0.894! C(o=-0.89!,f=-11!) USER MOD Single : A 97 THR OG1 : rot -152:sc= -1.87 USER MOD Single : A 100 THR OG1 : rot -132:sc= 0.964 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.03 X(o=-1,f=-1.5!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.3) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 115 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.47) USER MOD Single : A 117 ASN : amide:sc= -2.76! C(o=-2.8!,f=-10!) USER MOD Single : A 118 TYR OH : rot -5:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.203 13.966 0.140 1.00 0.00 N ATOM 2 CA GLU A 1 3.065 13.449 -1.261 1.00 0.00 C ATOM 3 C GLU A 1 4.365 13.054 -1.991 1.00 0.00 C ATOM 4 O GLU A 1 4.318 12.233 -2.885 1.00 0.00 O ATOM 5 CB GLU A 1 2.352 14.500 -2.068 1.00 0.00 C ATOM 6 CG GLU A 1 0.951 14.705 -1.483 1.00 0.00 C ATOM 7 CD GLU A 1 0.217 15.723 -2.336 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.094 15.342 -3.450 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.037 16.801 -1.803 1.00 0.00 O ATOM 0 H1 GLU A 1 2.399 13.637 0.712 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.090 13.614 0.554 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.216 15.006 0.127 1.00 0.00 H new ATOM 0 HA GLU A 1 2.516 12.512 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.911 15.436 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.284 14.193 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.406 13.761 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.018 15.053 -0.452 1.00 0.00 H new ATOM 18 N GLN A 2 5.467 13.655 -1.613 1.00 0.00 N ATOM 19 CA GLN A 2 6.806 13.376 -2.227 1.00 0.00 C ATOM 20 C GLN A 2 7.845 12.928 -1.172 1.00 0.00 C ATOM 21 O GLN A 2 8.251 13.719 -0.341 1.00 0.00 O ATOM 22 CB GLN A 2 7.201 14.692 -2.959 1.00 0.00 C ATOM 23 CG GLN A 2 8.723 14.772 -3.380 1.00 0.00 C ATOM 24 CD GLN A 2 9.484 15.752 -2.466 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.074 16.871 -2.257 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.594 15.423 -1.889 1.00 0.00 N ATOM 0 H GLN A 2 5.494 14.357 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 2 6.770 12.541 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.584 14.797 -3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.971 15.537 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.176 13.782 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.803 15.096 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.986 14.492 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.077 16.095 -1.293 1.00 0.00 H new ATOM 35 N ALA A 3 8.224 11.673 -1.231 1.00 0.00 N ATOM 36 CA ALA A 3 9.228 11.121 -0.276 1.00 0.00 C ATOM 37 C ALA A 3 10.365 10.398 -1.050 1.00 0.00 C ATOM 38 O ALA A 3 10.104 9.579 -1.913 1.00 0.00 O ATOM 39 CB ALA A 3 8.479 10.159 0.648 1.00 0.00 C ATOM 0 H ALA A 3 7.872 11.000 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 3 9.699 11.912 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.176 9.729 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.697 10.700 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.030 9.362 0.056 1.00 0.00 H new ATOM 45 N ASN A 4 11.596 10.721 -0.737 1.00 0.00 N ATOM 46 CA ASN A 4 12.781 10.083 -1.411 1.00 0.00 C ATOM 47 C ASN A 4 13.497 9.230 -0.326 1.00 0.00 C ATOM 48 O ASN A 4 13.277 9.439 0.850 1.00 0.00 O ATOM 49 CB ASN A 4 13.740 11.207 -1.987 1.00 0.00 C ATOM 50 CG ASN A 4 13.163 11.986 -3.178 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.875 12.619 -3.925 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.895 12.001 -3.427 1.00 0.00 N ATOM 0 H ASN A 4 11.839 11.414 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 4 12.483 9.456 -2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.975 11.911 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.679 10.745 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.538 12.530 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.251 11.484 -2.828 1.00 0.00 H new ATOM 59 N ASP A 5 14.326 8.311 -0.754 1.00 0.00 N ATOM 60 CA ASP A 5 15.108 7.377 0.138 1.00 0.00 C ATOM 61 C ASP A 5 14.277 6.898 1.367 1.00 0.00 C ATOM 62 O ASP A 5 14.497 7.253 2.512 1.00 0.00 O ATOM 63 CB ASP A 5 16.388 8.116 0.596 1.00 0.00 C ATOM 64 CG ASP A 5 17.401 7.066 1.022 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.313 6.610 2.145 1.00 0.00 O ATOM 66 OD2 ASP A 5 18.226 6.748 0.190 1.00 0.00 O ATOM 0 H ASP A 5 14.506 8.158 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 5 15.363 6.479 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.788 8.726 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.165 8.790 1.423 1.00 0.00 H new ATOM 71 N VAL A 6 13.310 6.083 1.061 1.00 0.00 N ATOM 72 CA VAL A 6 12.423 5.544 2.134 1.00 0.00 C ATOM 73 C VAL A 6 12.658 4.038 2.345 1.00 0.00 C ATOM 74 O VAL A 6 12.678 3.273 1.393 1.00 0.00 O ATOM 75 CB VAL A 6 10.948 5.804 1.719 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.998 5.648 2.949 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.791 7.232 1.149 1.00 0.00 C ATOM 0 H VAL A 6 13.093 5.765 0.117 1.00 0.00 H new ATOM 0 HA VAL A 6 12.647 6.044 3.076 1.00 0.00 H new ATOM 0 HB VAL A 6 10.682 5.073 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.969 5.834 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.081 4.636 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.280 6.365 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.752 7.398 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.079 7.960 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.431 7.347 0.274 1.00 0.00 H new ATOM 87 N ARG A 7 12.823 3.690 3.597 1.00 0.00 N ATOM 88 CA ARG A 7 13.050 2.262 4.003 1.00 0.00 C ATOM 89 C ARG A 7 11.617 1.721 3.890 1.00 0.00 C ATOM 90 O ARG A 7 10.888 1.646 4.861 1.00 0.00 O ATOM 91 CB ARG A 7 13.578 2.225 5.474 1.00 0.00 C ATOM 92 CG ARG A 7 14.932 2.967 5.573 1.00 0.00 C ATOM 93 CD ARG A 7 15.451 3.024 7.033 1.00 0.00 C ATOM 94 NE ARG A 7 15.794 1.628 7.501 1.00 0.00 N ATOM 95 CZ ARG A 7 15.693 1.253 8.725 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.256 1.979 9.597 1.00 0.00 N ATOM 97 NH2 ARG A 7 15.055 0.190 9.008 1.00 0.00 N ATOM 0 H ARG A 7 12.810 4.349 4.375 1.00 0.00 H new ATOM 0 HA ARG A 7 13.779 1.700 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.851 2.688 6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.696 1.192 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.668 2.466 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.821 3.980 5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.330 3.665 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.693 3.461 7.683 1.00 0.00 H new ATOM 0 HE ARG A 7 16.121 0.951 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.761 2.819 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.205 1.724 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.626 -0.361 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.972 -0.112 9.979 1.00 0.00 H new ATOM 111 N ALA A 8 11.254 1.360 2.692 1.00 0.00 N ATOM 112 CA ALA A 8 9.880 0.842 2.480 1.00 0.00 C ATOM 113 C ALA A 8 9.817 -0.677 2.614 1.00 0.00 C ATOM 114 O ALA A 8 10.606 -1.406 2.038 1.00 0.00 O ATOM 115 CB ALA A 8 9.435 1.312 1.075 1.00 0.00 C ATOM 0 H ALA A 8 11.843 1.401 1.860 1.00 0.00 H new ATOM 0 HA ALA A 8 9.206 1.228 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.426 0.953 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.448 2.401 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.118 0.913 0.325 1.00 0.00 H new ATOM 121 N THR A 9 8.847 -1.087 3.385 1.00 0.00 N ATOM 122 CA THR A 9 8.596 -2.537 3.651 1.00 0.00 C ATOM 123 C THR A 9 7.667 -2.975 2.511 1.00 0.00 C ATOM 124 O THR A 9 7.122 -2.118 1.842 1.00 0.00 O ATOM 125 CB THR A 9 7.932 -2.642 5.044 1.00 0.00 C ATOM 126 OG1 THR A 9 6.950 -1.612 5.084 1.00 0.00 O ATOM 127 CG2 THR A 9 8.901 -2.164 6.108 1.00 0.00 C ATOM 0 H THR A 9 8.197 -0.458 3.857 1.00 0.00 H new ATOM 0 HA THR A 9 9.484 -3.168 3.672 1.00 0.00 H new ATOM 0 HB THR A 9 7.583 -3.662 5.202 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.491 -1.631 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.431 -2.239 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.798 -2.783 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.172 -1.126 5.914 1.00 0.00 H new ATOM 135 N TYR A 10 7.484 -4.254 2.273 1.00 0.00 N ATOM 136 CA TYR A 10 6.564 -4.607 1.130 1.00 0.00 C ATOM 137 C TYR A 10 5.589 -5.825 1.152 1.00 0.00 C ATOM 138 O TYR A 10 5.986 -6.971 1.044 1.00 0.00 O ATOM 139 CB TYR A 10 7.481 -4.698 -0.141 1.00 0.00 C ATOM 140 CG TYR A 10 8.229 -6.041 -0.169 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.240 -6.340 0.726 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.850 -6.993 -1.099 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.849 -7.573 0.689 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.466 -8.225 -1.132 1.00 0.00 C ATOM 145 CZ TYR A 10 9.466 -8.511 -0.230 1.00 0.00 C ATOM 146 OH TYR A 10 10.083 -9.736 -0.208 1.00 0.00 O ATOM 0 H TYR A 10 7.902 -5.032 2.784 1.00 0.00 H new ATOM 0 HA TYR A 10 5.818 -3.814 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.876 -4.593 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.197 -3.876 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.551 -5.606 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.064 -6.768 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.636 -7.802 1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.166 -8.963 -1.862 1.00 0.00 H new ATOM 0 HH TYR A 10 9.711 -10.303 -0.916 1.00 0.00 H new ATOM 156 N HIS A 11 4.326 -5.569 1.314 1.00 0.00 N ATOM 157 CA HIS A 11 3.373 -6.715 1.306 1.00 0.00 C ATOM 158 C HIS A 11 2.453 -6.241 0.179 1.00 0.00 C ATOM 159 O HIS A 11 1.850 -5.175 0.231 1.00 0.00 O ATOM 160 CB HIS A 11 2.551 -6.898 2.634 1.00 0.00 C ATOM 161 CG HIS A 11 2.211 -8.394 2.720 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.080 -9.336 2.881 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.003 -9.065 2.651 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.484 -10.486 2.912 1.00 0.00 C ATOM 165 NE2 HIS A 11 1.189 -10.363 2.773 1.00 0.00 N ATOM 0 H HIS A 11 3.916 -4.645 1.448 1.00 0.00 H new ATOM 0 HA HIS A 11 3.861 -7.683 1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.132 -6.580 3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.645 -6.292 2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.042 -8.591 2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.994 -11.430 3.037 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.486 -11.102 2.762 1.00 0.00 H new ATOM 173 N TYR A 12 2.452 -7.109 -0.787 1.00 0.00 N ATOM 174 CA TYR A 12 1.673 -6.965 -2.025 1.00 0.00 C ATOM 175 C TYR A 12 0.512 -7.953 -1.988 1.00 0.00 C ATOM 176 O TYR A 12 0.621 -9.137 -2.243 1.00 0.00 O ATOM 177 CB TYR A 12 2.614 -7.221 -3.234 1.00 0.00 C ATOM 178 CG TYR A 12 3.714 -8.276 -3.027 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.551 -9.445 -2.296 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.936 -8.032 -3.617 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.591 -10.340 -2.166 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.969 -8.929 -3.483 1.00 0.00 C ATOM 183 CZ TYR A 12 5.796 -10.080 -2.759 1.00 0.00 C ATOM 184 OH TYR A 12 6.847 -10.960 -2.647 1.00 0.00 O ATOM 0 H TYR A 12 3.001 -7.968 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 12 1.260 -5.961 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.004 -7.525 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.090 -6.278 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.602 -9.655 -1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.083 -7.128 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.455 -11.247 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.921 -8.726 -3.950 1.00 0.00 H new ATOM 0 HH TYR A 12 7.621 -10.608 -3.134 1.00 0.00 H new ATOM 194 N TYR A 13 -0.609 -7.401 -1.631 1.00 0.00 N ATOM 195 CA TYR A 13 -1.850 -8.240 -1.548 1.00 0.00 C ATOM 196 C TYR A 13 -2.338 -8.513 -3.004 1.00 0.00 C ATOM 197 O TYR A 13 -2.127 -7.673 -3.871 1.00 0.00 O ATOM 198 CB TYR A 13 -2.853 -7.426 -0.689 1.00 0.00 C ATOM 199 CG TYR A 13 -3.792 -8.334 0.099 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.308 -9.020 1.195 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.118 -8.470 -0.257 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.142 -9.833 1.932 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.944 -9.286 0.486 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.459 -9.963 1.575 1.00 0.00 C ATOM 205 OH TYR A 13 -6.302 -10.762 2.308 1.00 0.00 O ATOM 0 H TYR A 13 -0.728 -6.416 -1.394 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.708 -9.215 -1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.304 -6.785 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.438 -6.772 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.270 -8.919 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.507 -7.940 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.759 -10.367 2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.982 -9.393 0.208 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.200 -10.738 1.915 1.00 0.00 H new ATOM 215 N ARG A 14 -2.976 -9.663 -3.178 1.00 0.00 N ATOM 216 CA ARG A 14 -3.523 -10.139 -4.526 1.00 0.00 C ATOM 217 C ARG A 14 -5.077 -10.384 -4.717 1.00 0.00 C ATOM 218 O ARG A 14 -5.530 -11.498 -4.903 1.00 0.00 O ATOM 219 CB ARG A 14 -2.717 -11.453 -4.861 1.00 0.00 C ATOM 220 CG ARG A 14 -3.084 -12.035 -6.275 1.00 0.00 C ATOM 221 CD ARG A 14 -2.114 -13.141 -6.726 1.00 0.00 C ATOM 222 NE ARG A 14 -2.663 -13.643 -8.037 1.00 0.00 N ATOM 223 CZ ARG A 14 -2.163 -13.306 -9.164 1.00 0.00 C ATOM 224 NH1 ARG A 14 -1.140 -13.913 -9.583 1.00 0.00 N ATOM 225 NH2 ARG A 14 -2.738 -12.375 -9.803 1.00 0.00 N ATOM 0 H ARG A 14 -3.149 -10.319 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.384 -9.299 -5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.649 -11.240 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.919 -12.205 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.098 -12.434 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.078 -11.229 -7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.103 -12.752 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.062 -13.942 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.463 -14.275 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.725 -14.659 -9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.727 -13.658 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.567 -11.926 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.372 -12.075 -10.706 1.00 0.00 H new ATOM 239 N PRO A 15 -5.888 -9.354 -4.698 1.00 0.00 N ATOM 240 CA PRO A 15 -7.385 -9.538 -4.735 1.00 0.00 C ATOM 241 C PRO A 15 -7.877 -10.223 -6.025 1.00 0.00 C ATOM 242 O PRO A 15 -8.790 -11.030 -6.012 1.00 0.00 O ATOM 243 CB PRO A 15 -7.941 -8.138 -4.574 1.00 0.00 C ATOM 244 CG PRO A 15 -6.772 -7.352 -3.958 1.00 0.00 C ATOM 245 CD PRO A 15 -5.510 -7.922 -4.627 1.00 0.00 C ATOM 0 HA PRO A 15 -7.726 -10.209 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.247 -7.716 -5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.817 -8.127 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.871 -6.283 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.737 -7.480 -2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.327 -7.489 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.611 -7.756 -4.033 1.00 0.00 H new ATOM 253 N ALA A 16 -7.239 -9.840 -7.109 1.00 0.00 N ATOM 254 CA ALA A 16 -7.531 -10.368 -8.489 1.00 0.00 C ATOM 255 C ALA A 16 -7.894 -11.874 -8.493 1.00 0.00 C ATOM 256 O ALA A 16 -8.772 -12.259 -9.237 1.00 0.00 O ATOM 257 CB ALA A 16 -6.308 -10.103 -9.383 1.00 0.00 C ATOM 0 H ALA A 16 -6.490 -9.148 -7.092 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.407 -9.847 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.503 -10.480 -10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.116 -9.031 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.437 -10.610 -8.968 1.00 0.00 H new ATOM 263 N GLN A 17 -7.204 -12.640 -7.674 1.00 0.00 N ATOM 264 CA GLN A 17 -7.429 -14.129 -7.543 1.00 0.00 C ATOM 265 C GLN A 17 -8.933 -14.466 -7.466 1.00 0.00 C ATOM 266 O GLN A 17 -9.409 -15.435 -8.018 1.00 0.00 O ATOM 267 CB GLN A 17 -6.700 -14.636 -6.258 1.00 0.00 C ATOM 268 CG GLN A 17 -7.327 -14.010 -4.952 1.00 0.00 C ATOM 269 CD GLN A 17 -6.614 -14.498 -3.682 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.409 -14.590 -3.589 1.00 0.00 O ATOM 271 NE2 GLN A 17 -7.324 -14.823 -2.653 1.00 0.00 N ATOM 0 H GLN A 17 -6.466 -12.283 -7.067 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.026 -14.625 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.763 -15.723 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.642 -14.380 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.268 -12.923 -5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.384 -14.269 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.341 -14.758 -2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.868 -15.144 -1.799 1.00 0.00 H new ATOM 280 N ASN A 18 -9.637 -13.623 -6.770 1.00 0.00 N ATOM 281 CA ASN A 18 -11.111 -13.758 -6.569 1.00 0.00 C ATOM 282 C ASN A 18 -11.600 -12.664 -7.523 1.00 0.00 C ATOM 283 O ASN A 18 -12.247 -11.737 -7.097 1.00 0.00 O ATOM 284 CB ASN A 18 -11.393 -13.437 -5.083 1.00 0.00 C ATOM 285 CG ASN A 18 -12.829 -13.674 -4.635 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.789 -13.192 -5.190 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.031 -14.424 -3.602 1.00 0.00 N ATOM 0 H ASN A 18 -9.234 -12.807 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.575 -14.725 -6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.731 -14.042 -4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.138 -12.394 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.982 -14.596 -3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.240 -14.844 -3.114 1.00 0.00 H new ATOM 294 N ASN A 19 -11.273 -12.798 -8.794 1.00 0.00 N ATOM 295 CA ASN A 19 -11.677 -11.774 -9.840 1.00 0.00 C ATOM 296 C ASN A 19 -11.692 -10.369 -9.165 1.00 0.00 C ATOM 297 O ASN A 19 -12.658 -9.628 -9.188 1.00 0.00 O ATOM 298 CB ASN A 19 -13.073 -12.145 -10.363 1.00 0.00 C ATOM 299 CG ASN A 19 -13.294 -11.486 -11.717 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.036 -10.331 -11.968 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.786 -12.197 -12.670 1.00 0.00 N ATOM 0 H ASN A 19 -10.736 -13.583 -9.162 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.979 -11.758 -10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.164 -13.227 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.837 -11.818 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.942 -11.781 -13.588 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -14.020 -13.176 -12.507 1.00 0.00 H new ATOM 308 N TRP A 20 -10.561 -10.076 -8.571 1.00 0.00 N ATOM 309 CA TRP A 20 -10.367 -8.777 -7.841 1.00 0.00 C ATOM 310 C TRP A 20 -11.454 -8.712 -6.725 1.00 0.00 C ATOM 311 O TRP A 20 -12.302 -7.842 -6.711 1.00 0.00 O ATOM 312 CB TRP A 20 -10.543 -7.600 -8.797 1.00 0.00 C ATOM 313 CG TRP A 20 -9.377 -7.158 -9.722 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.744 -6.930 -10.990 1.00 0.00 C ATOM 315 CD2 TRP A 20 -8.033 -6.865 -9.582 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.656 -6.505 -11.580 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.593 -6.430 -10.823 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.058 -6.864 -8.598 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -6.305 -6.022 -11.070 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.757 -6.445 -8.871 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.386 -6.029 -10.095 1.00 0.00 C ATOM 0 H TRP A 20 -9.748 -10.691 -8.559 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.364 -8.722 -7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -11.394 -7.830 -9.438 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.823 -6.735 -8.195 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.722 -7.067 -11.428 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.639 -6.249 -12.567 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -7.311 -7.194 -7.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -6.030 -5.692 -12.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -5.026 -6.455 -8.077 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.373 -5.709 -10.287 1.00 0.00 H new ATOM 332 N ASP A 21 -11.345 -9.656 -5.831 1.00 0.00 N ATOM 333 CA ASP A 21 -12.225 -9.873 -4.643 1.00 0.00 C ATOM 334 C ASP A 21 -13.288 -8.831 -4.196 1.00 0.00 C ATOM 335 O ASP A 21 -14.343 -9.237 -3.750 1.00 0.00 O ATOM 336 CB ASP A 21 -11.218 -10.173 -3.514 1.00 0.00 C ATOM 337 CG ASP A 21 -11.945 -10.429 -2.209 1.00 0.00 C ATOM 338 OD1 ASP A 21 -12.410 -9.432 -1.673 1.00 0.00 O ATOM 339 OD2 ASP A 21 -11.983 -11.599 -1.860 1.00 0.00 O ATOM 0 H ASP A 21 -10.603 -10.354 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.928 -10.656 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.615 -11.042 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.533 -9.333 -3.397 1.00 0.00 H new ATOM 344 N LEU A 22 -12.937 -7.579 -4.341 1.00 0.00 N ATOM 345 CA LEU A 22 -13.683 -6.318 -4.011 1.00 0.00 C ATOM 346 C LEU A 22 -15.155 -6.510 -3.643 1.00 0.00 C ATOM 347 O LEU A 22 -16.061 -5.907 -4.187 1.00 0.00 O ATOM 348 CB LEU A 22 -13.612 -5.329 -5.228 1.00 0.00 C ATOM 349 CG LEU A 22 -12.200 -4.934 -5.749 1.00 0.00 C ATOM 350 CD1 LEU A 22 -12.310 -3.503 -6.328 1.00 0.00 C ATOM 351 CD2 LEU A 22 -11.045 -4.959 -4.664 1.00 0.00 C ATOM 0 H LEU A 22 -12.023 -7.356 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.188 -5.924 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.164 -5.774 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.136 -4.415 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.914 -5.683 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.337 -3.187 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.035 -3.495 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.635 -2.818 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.103 -4.668 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.284 -4.261 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.952 -5.965 -4.254 1.00 0.00 H new ATOM 363 N GLY A 23 -15.311 -7.373 -2.686 1.00 0.00 N ATOM 364 CA GLY A 23 -16.671 -7.712 -2.165 1.00 0.00 C ATOM 365 C GLY A 23 -16.609 -8.722 -1.032 1.00 0.00 C ATOM 366 O GLY A 23 -17.268 -8.553 -0.025 1.00 0.00 O ATOM 0 H GLY A 23 -14.545 -7.870 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.162 -6.804 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.281 -8.112 -2.975 1.00 0.00 H new ATOM 370 N ALA A 24 -15.817 -9.740 -1.228 1.00 0.00 N ATOM 371 CA ALA A 24 -15.666 -10.818 -0.187 1.00 0.00 C ATOM 372 C ALA A 24 -15.401 -10.248 1.236 1.00 0.00 C ATOM 373 O ALA A 24 -14.292 -9.818 1.501 1.00 0.00 O ATOM 374 CB ALA A 24 -14.504 -11.710 -0.545 1.00 0.00 C ATOM 0 H ALA A 24 -15.259 -9.880 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.607 -11.367 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.397 -12.489 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.684 -12.169 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.590 -11.118 -0.587 1.00 0.00 H new ATOM 380 N PRO A 25 -16.375 -10.248 2.121 1.00 0.00 N ATOM 381 CA PRO A 25 -16.301 -9.502 3.423 1.00 0.00 C ATOM 382 C PRO A 25 -14.874 -9.405 4.015 1.00 0.00 C ATOM 383 O PRO A 25 -14.427 -8.365 4.444 1.00 0.00 O ATOM 384 CB PRO A 25 -17.320 -10.249 4.333 1.00 0.00 C ATOM 385 CG PRO A 25 -17.917 -11.400 3.455 1.00 0.00 C ATOM 386 CD PRO A 25 -17.651 -10.992 1.994 1.00 0.00 C ATOM 0 HA PRO A 25 -16.553 -8.448 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.830 -10.649 5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.104 -9.574 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.444 -12.354 3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.985 -11.520 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.558 -11.857 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -18.450 -10.370 1.590 1.00 0.00 H new ATOM 394 N ALA A 26 -14.219 -10.533 4.007 1.00 0.00 N ATOM 395 CA ALA A 26 -12.818 -10.708 4.519 1.00 0.00 C ATOM 396 C ALA A 26 -11.832 -9.552 4.234 1.00 0.00 C ATOM 397 O ALA A 26 -10.985 -9.210 5.039 1.00 0.00 O ATOM 398 CB ALA A 26 -12.296 -12.029 3.909 1.00 0.00 C ATOM 0 H ALA A 26 -14.622 -11.397 3.644 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.868 -10.720 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.276 -12.208 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.934 -12.854 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.309 -11.958 2.821 1.00 0.00 H new ATOM 404 N VAL A 27 -12.022 -9.010 3.067 1.00 0.00 N ATOM 405 CA VAL A 27 -11.191 -7.882 2.534 1.00 0.00 C ATOM 406 C VAL A 27 -11.804 -6.484 2.564 1.00 0.00 C ATOM 407 O VAL A 27 -11.340 -5.573 3.213 1.00 0.00 O ATOM 408 CB VAL A 27 -10.838 -8.124 1.050 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.719 -7.146 0.620 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.435 -9.598 0.769 1.00 0.00 C ATOM 0 H VAL A 27 -12.754 -9.315 2.426 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.342 -7.890 3.218 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.732 -7.935 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.469 -7.316 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.063 -6.120 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.835 -7.312 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.197 -9.715 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.562 -9.857 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.263 -10.257 1.029 1.00 0.00 H new ATOM 420 N SER A 28 -12.870 -6.391 1.823 1.00 0.00 N ATOM 421 CA SER A 28 -13.666 -5.135 1.636 1.00 0.00 C ATOM 422 C SER A 28 -12.844 -3.791 1.722 1.00 0.00 C ATOM 423 O SER A 28 -12.637 -3.252 2.794 1.00 0.00 O ATOM 424 CB SER A 28 -14.802 -5.128 2.695 1.00 0.00 C ATOM 425 OG SER A 28 -14.150 -5.032 3.958 1.00 0.00 O ATOM 0 H SER A 28 -13.248 -7.184 1.305 1.00 0.00 H new ATOM 0 HA SER A 28 -14.046 -5.157 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.478 -4.288 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.402 -6.036 2.632 1.00 0.00 H new ATOM 0 HG SER A 28 -13.573 -4.240 3.969 1.00 0.00 H new ATOM 431 N ALA A 29 -12.393 -3.301 0.588 1.00 0.00 N ATOM 432 CA ALA A 29 -11.584 -2.030 0.497 1.00 0.00 C ATOM 433 C ALA A 29 -12.352 -0.661 0.305 1.00 0.00 C ATOM 434 O ALA A 29 -13.518 -0.655 -0.053 1.00 0.00 O ATOM 435 CB ALA A 29 -10.609 -2.344 -0.623 1.00 0.00 C ATOM 0 H ALA A 29 -12.558 -3.746 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.126 -1.809 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.956 -1.487 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.007 -3.211 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.162 -2.560 -1.537 1.00 0.00 H new ATOM 441 N TYR A 30 -11.673 0.461 0.520 1.00 0.00 N ATOM 442 CA TYR A 30 -12.300 1.826 0.391 1.00 0.00 C ATOM 443 C TYR A 30 -13.137 2.121 -0.830 1.00 0.00 C ATOM 444 O TYR A 30 -14.267 2.556 -0.750 1.00 0.00 O ATOM 445 CB TYR A 30 -11.191 2.941 0.471 1.00 0.00 C ATOM 446 CG TYR A 30 -11.452 3.888 1.658 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.683 4.505 1.773 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.494 4.150 2.611 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.953 5.363 2.821 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.772 5.014 3.660 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.002 5.618 3.768 1.00 0.00 C ATOM 452 OH TYR A 30 -12.293 6.455 4.820 1.00 0.00 O ATOM 0 H TYR A 30 -10.688 0.481 0.785 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.002 1.828 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.210 2.478 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.174 3.511 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.445 4.313 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.523 3.682 2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.922 5.835 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.013 5.215 4.401 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.510 6.530 5.404 1.00 0.00 H new ATOM 462 N CYS A 31 -12.533 1.858 -1.940 1.00 0.00 N ATOM 463 CA CYS A 31 -13.215 2.108 -3.223 1.00 0.00 C ATOM 464 C CYS A 31 -13.740 0.873 -3.924 1.00 0.00 C ATOM 465 O CYS A 31 -13.868 0.832 -5.128 1.00 0.00 O ATOM 466 CB CYS A 31 -12.163 2.920 -3.956 1.00 0.00 C ATOM 467 SG CYS A 31 -12.175 4.559 -3.199 1.00 0.00 S ATOM 0 H CYS A 31 -11.589 1.478 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.164 2.636 -3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.181 2.457 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.390 2.981 -5.020 1.00 0.00 H new ATOM 472 N ALA A 32 -14.064 -0.121 -3.140 1.00 0.00 N ATOM 473 CA ALA A 32 -14.603 -1.376 -3.741 1.00 0.00 C ATOM 474 C ALA A 32 -16.089 -1.038 -3.952 1.00 0.00 C ATOM 475 O ALA A 32 -16.547 -1.032 -5.074 1.00 0.00 O ATOM 476 CB ALA A 32 -14.379 -2.526 -2.736 1.00 0.00 C ATOM 0 H ALA A 32 -13.981 -0.120 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.136 -1.697 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.766 -3.455 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.313 -2.633 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.900 -2.302 -1.805 1.00 0.00 H new ATOM 482 N THR A 33 -16.746 -0.768 -2.851 1.00 0.00 N ATOM 483 CA THR A 33 -18.196 -0.394 -2.743 1.00 0.00 C ATOM 484 C THR A 33 -18.716 0.368 -3.963 1.00 0.00 C ATOM 485 O THR A 33 -19.864 0.270 -4.356 1.00 0.00 O ATOM 486 CB THR A 33 -18.334 0.458 -1.489 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.736 -0.352 -0.489 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.760 0.533 -0.982 1.00 0.00 C ATOM 0 H THR A 33 -16.289 -0.796 -1.940 1.00 0.00 H new ATOM 0 HA THR A 33 -18.797 -1.302 -2.692 1.00 0.00 H new ATOM 0 HB THR A 33 -17.939 1.454 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.771 0.113 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.796 1.154 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.397 0.969 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.114 -0.470 -0.743 1.00 0.00 H new ATOM 496 N TRP A 34 -17.788 1.120 -4.488 1.00 0.00 N ATOM 497 CA TRP A 34 -18.005 1.979 -5.681 1.00 0.00 C ATOM 498 C TRP A 34 -17.189 1.668 -6.938 1.00 0.00 C ATOM 499 O TRP A 34 -17.810 1.543 -7.972 1.00 0.00 O ATOM 500 CB TRP A 34 -17.750 3.415 -5.244 1.00 0.00 C ATOM 501 CG TRP A 34 -18.852 3.798 -4.256 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.189 3.669 -4.475 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.651 4.313 -3.035 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.705 4.124 -3.348 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.856 4.537 -2.415 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.462 4.608 -2.404 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.863 5.067 -1.140 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.469 5.138 -1.128 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.676 5.369 -0.495 1.00 0.00 C ATOM 0 H TRP A 34 -16.840 1.173 -4.115 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.027 1.784 -6.005 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.769 3.505 -4.778 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.757 4.084 -6.104 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.699 3.291 -5.349 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.714 4.157 -3.201 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.524 4.425 -2.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.804 5.248 -0.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.539 5.370 -0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.693 5.785 0.502 1.00 0.00 H new ATOM 520 N ASP A 35 -15.889 1.510 -6.936 1.00 0.00 N ATOM 521 CA ASP A 35 -15.249 1.228 -8.263 1.00 0.00 C ATOM 522 C ASP A 35 -15.354 -0.198 -8.718 1.00 0.00 C ATOM 523 O ASP A 35 -15.137 -0.466 -9.881 1.00 0.00 O ATOM 524 CB ASP A 35 -13.788 1.672 -8.157 1.00 0.00 C ATOM 525 CG ASP A 35 -13.706 3.177 -7.970 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.707 3.830 -8.222 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.614 3.543 -7.595 1.00 0.00 O ATOM 0 H ASP A 35 -15.271 1.559 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.788 1.784 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.308 1.168 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.246 1.381 -9.057 1.00 0.00 H new ATOM 532 N ALA A 36 -15.690 -1.093 -7.825 1.00 0.00 N ATOM 533 CA ALA A 36 -15.808 -2.524 -8.243 1.00 0.00 C ATOM 534 C ALA A 36 -16.941 -2.630 -9.294 1.00 0.00 C ATOM 535 O ALA A 36 -17.107 -3.645 -9.938 1.00 0.00 O ATOM 536 CB ALA A 36 -16.118 -3.333 -6.991 1.00 0.00 C ATOM 0 H ALA A 36 -15.885 -0.902 -6.842 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.893 -2.906 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.212 -4.387 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.311 -3.209 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.053 -2.983 -6.554 1.00 0.00 H new ATOM 542 N SER A 37 -17.682 -1.555 -9.430 1.00 0.00 N ATOM 543 CA SER A 37 -18.821 -1.476 -10.405 1.00 0.00 C ATOM 544 C SER A 37 -18.303 -1.121 -11.802 1.00 0.00 C ATOM 545 O SER A 37 -18.983 -1.345 -12.782 1.00 0.00 O ATOM 546 CB SER A 37 -19.818 -0.383 -9.972 1.00 0.00 C ATOM 547 OG SER A 37 -19.125 0.841 -10.212 1.00 0.00 O ATOM 0 H SER A 37 -17.540 -0.702 -8.889 1.00 0.00 H new ATOM 0 HA SER A 37 -19.314 -2.448 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.742 -0.437 -10.548 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.091 -0.487 -8.922 1.00 0.00 H new ATOM 0 HG SER A 37 -18.642 1.108 -9.402 1.00 0.00 H new ATOM 553 N LYS A 38 -17.113 -0.580 -11.875 1.00 0.00 N ATOM 554 CA LYS A 38 -16.528 -0.198 -13.195 1.00 0.00 C ATOM 555 C LYS A 38 -15.739 -1.349 -13.837 1.00 0.00 C ATOM 556 O LYS A 38 -15.040 -2.083 -13.165 1.00 0.00 O ATOM 557 CB LYS A 38 -15.582 0.996 -13.002 1.00 0.00 C ATOM 558 CG LYS A 38 -16.358 2.312 -13.028 1.00 0.00 C ATOM 559 CD LYS A 38 -15.313 3.432 -12.757 1.00 0.00 C ATOM 560 CE LYS A 38 -15.804 4.792 -13.256 1.00 0.00 C ATOM 561 NZ LYS A 38 -17.096 5.102 -12.570 1.00 0.00 N ATOM 0 H LYS A 38 -16.518 -0.385 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.355 0.057 -13.858 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.054 0.898 -12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.827 0.998 -13.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.846 2.458 -13.992 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.142 2.318 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.108 3.488 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.373 3.181 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.065 5.565 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.942 4.773 -14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.337 6.102 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.850 4.502 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.001 4.918 -11.551 1.00 0.00 H new ATOM 575 N PRO A 39 -15.863 -1.475 -15.142 1.00 0.00 N ATOM 576 CA PRO A 39 -15.271 -2.616 -15.898 1.00 0.00 C ATOM 577 C PRO A 39 -13.757 -2.850 -15.676 1.00 0.00 C ATOM 578 O PRO A 39 -12.956 -1.952 -15.471 1.00 0.00 O ATOM 579 CB PRO A 39 -15.640 -2.298 -17.369 1.00 0.00 C ATOM 580 CG PRO A 39 -15.771 -0.754 -17.354 1.00 0.00 C ATOM 581 CD PRO A 39 -16.568 -0.538 -16.069 1.00 0.00 C ATOM 0 HA PRO A 39 -15.670 -3.569 -15.550 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.869 -2.633 -18.063 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.570 -2.782 -17.668 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.800 -0.259 -17.325 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.295 -0.377 -18.232 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.524 0.495 -15.724 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.622 -0.790 -16.189 1.00 0.00 H new ATOM 589 N LEU A 40 -13.422 -4.113 -15.723 1.00 0.00 N ATOM 590 CA LEU A 40 -12.041 -4.615 -15.546 1.00 0.00 C ATOM 591 C LEU A 40 -10.912 -3.707 -16.050 1.00 0.00 C ATOM 592 O LEU A 40 -9.927 -3.526 -15.360 1.00 0.00 O ATOM 593 CB LEU A 40 -12.056 -5.980 -16.222 1.00 0.00 C ATOM 594 CG LEU A 40 -12.745 -7.026 -15.314 1.00 0.00 C ATOM 595 CD1 LEU A 40 -13.024 -8.295 -16.148 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.768 -7.406 -14.178 1.00 0.00 C ATOM 0 H LEU A 40 -14.101 -4.856 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.795 -4.657 -14.485 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.581 -5.915 -17.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.036 -6.295 -16.441 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.672 -6.621 -14.908 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.510 -9.043 -15.521 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.675 -8.044 -16.985 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.084 -8.695 -16.527 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.237 -8.144 -13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.858 -7.826 -14.606 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.519 -6.516 -13.599 1.00 0.00 H new ATOM 608 N SER A 41 -11.079 -3.185 -17.240 1.00 0.00 N ATOM 609 CA SER A 41 -10.071 -2.279 -17.864 1.00 0.00 C ATOM 610 C SER A 41 -9.497 -1.263 -16.847 1.00 0.00 C ATOM 611 O SER A 41 -8.355 -1.347 -16.452 1.00 0.00 O ATOM 612 CB SER A 41 -10.792 -1.583 -19.030 1.00 0.00 C ATOM 613 OG SER A 41 -11.316 -2.657 -19.809 1.00 0.00 O ATOM 0 H SER A 41 -11.900 -3.357 -17.821 1.00 0.00 H new ATOM 0 HA SER A 41 -9.206 -2.840 -18.218 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.585 -0.926 -18.673 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.106 -0.967 -19.611 1.00 0.00 H new ATOM 0 HG SER A 41 -11.799 -2.296 -20.582 1.00 0.00 H new ATOM 619 N TRP A 42 -10.325 -0.333 -16.439 1.00 0.00 N ATOM 620 CA TRP A 42 -9.873 0.698 -15.462 1.00 0.00 C ATOM 621 C TRP A 42 -9.366 0.037 -14.161 1.00 0.00 C ATOM 622 O TRP A 42 -8.317 0.411 -13.674 1.00 0.00 O ATOM 623 CB TRP A 42 -11.062 1.630 -15.207 1.00 0.00 C ATOM 624 CG TRP A 42 -10.535 2.893 -14.512 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.951 3.934 -15.159 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.562 3.162 -13.193 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.658 4.775 -14.182 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.990 4.396 -12.951 1.00 0.00 C ATOM 629 CE3 TRP A 42 -11.060 2.399 -12.156 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.923 4.858 -11.646 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.991 2.862 -10.860 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.425 4.090 -10.605 1.00 0.00 C ATOM 0 H TRP A 42 -11.295 -0.246 -16.742 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.033 1.270 -15.857 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.552 1.888 -16.146 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.807 1.135 -14.584 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.769 4.048 -16.218 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.201 5.669 -14.363 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.505 1.437 -12.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.478 5.820 -11.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.379 2.264 -10.049 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.371 4.457 -9.591 1.00 0.00 H new ATOM 643 N ARG A 43 -10.122 -0.915 -13.665 1.00 0.00 N ATOM 644 CA ARG A 43 -9.759 -1.660 -12.397 1.00 0.00 C ATOM 645 C ARG A 43 -8.283 -2.115 -12.382 1.00 0.00 C ATOM 646 O ARG A 43 -7.507 -1.785 -11.507 1.00 0.00 O ATOM 647 CB ARG A 43 -10.694 -2.891 -12.274 1.00 0.00 C ATOM 648 CG ARG A 43 -12.182 -2.475 -12.294 1.00 0.00 C ATOM 649 CD ARG A 43 -12.691 -1.992 -10.928 1.00 0.00 C ATOM 650 NE ARG A 43 -11.852 -0.857 -10.374 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.512 -0.790 -9.132 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.384 -1.112 -8.260 1.00 0.00 N ATOM 653 NH2 ARG A 43 -10.335 -0.404 -8.809 1.00 0.00 N ATOM 0 H ARG A 43 -10.998 -1.220 -14.090 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.887 -0.985 -11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.497 -3.582 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.476 -3.424 -11.348 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.321 -1.682 -13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.785 -3.322 -12.621 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.726 -1.664 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.684 -2.824 -10.224 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.545 -0.119 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.314 -1.410 -8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.152 -1.072 -7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.665 -0.149 -9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.067 -0.351 -7.826 1.00 0.00 H new ATOM 667 N SER A 44 -7.943 -2.885 -13.376 1.00 0.00 N ATOM 668 CA SER A 44 -6.545 -3.412 -13.515 1.00 0.00 C ATOM 669 C SER A 44 -5.587 -2.287 -14.024 1.00 0.00 C ATOM 670 O SER A 44 -4.450 -2.238 -13.599 1.00 0.00 O ATOM 671 CB SER A 44 -6.593 -4.593 -14.515 1.00 0.00 C ATOM 672 OG SER A 44 -7.223 -4.106 -15.703 1.00 0.00 O ATOM 0 H SER A 44 -8.582 -3.180 -14.114 1.00 0.00 H new ATOM 0 HA SER A 44 -6.162 -3.750 -12.552 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.589 -4.956 -14.732 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.152 -5.430 -14.097 1.00 0.00 H new ATOM 0 HG SER A 44 -8.192 -4.058 -15.564 1.00 0.00 H new ATOM 678 N LYS A 45 -6.038 -1.425 -14.909 1.00 0.00 N ATOM 679 CA LYS A 45 -5.222 -0.284 -15.485 1.00 0.00 C ATOM 680 C LYS A 45 -4.502 0.532 -14.391 1.00 0.00 C ATOM 681 O LYS A 45 -3.300 0.426 -14.259 1.00 0.00 O ATOM 682 CB LYS A 45 -6.206 0.582 -16.307 1.00 0.00 C ATOM 683 CG LYS A 45 -5.523 1.854 -16.867 1.00 0.00 C ATOM 684 CD LYS A 45 -6.561 2.561 -17.801 1.00 0.00 C ATOM 685 CE LYS A 45 -6.093 3.966 -18.209 1.00 0.00 C ATOM 686 NZ LYS A 45 -7.184 4.587 -19.038 1.00 0.00 N ATOM 0 H LYS A 45 -6.988 -1.464 -15.278 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.420 -0.665 -16.117 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.608 -0.007 -17.131 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.050 0.869 -15.679 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.220 2.517 -16.057 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.621 1.595 -17.421 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.718 1.956 -18.694 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.521 2.631 -17.290 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.890 4.573 -17.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.165 3.910 -18.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.761 5.183 -19.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.753 3.837 -19.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.793 5.171 -18.430 1.00 0.00 H new ATOM 700 N TYR A 46 -5.251 1.316 -13.657 1.00 0.00 N ATOM 701 CA TYR A 46 -4.700 2.165 -12.546 1.00 0.00 C ATOM 702 C TYR A 46 -5.724 2.155 -11.411 1.00 0.00 C ATOM 703 O TYR A 46 -6.586 1.304 -11.406 1.00 0.00 O ATOM 704 CB TYR A 46 -4.433 3.633 -12.965 1.00 0.00 C ATOM 705 CG TYR A 46 -3.309 3.824 -14.013 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.114 3.133 -13.900 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.450 4.726 -15.058 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.084 3.330 -14.793 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.411 4.923 -15.956 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.231 4.227 -15.822 1.00 0.00 C ATOM 711 OH TYR A 46 -0.197 4.439 -16.705 1.00 0.00 O ATOM 0 H TYR A 46 -6.259 1.408 -13.785 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.738 1.747 -12.249 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.356 4.054 -13.364 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.179 4.208 -12.074 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.987 2.425 -13.095 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.372 5.277 -15.173 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.161 2.779 -14.684 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.529 5.628 -16.766 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.468 5.104 -17.372 1.00 0.00 H new ATOM 721 N GLY A 47 -5.642 3.049 -10.459 1.00 0.00 N ATOM 722 CA GLY A 47 -6.668 3.003 -9.348 1.00 0.00 C ATOM 723 C GLY A 47 -6.771 1.568 -8.771 1.00 0.00 C ATOM 724 O GLY A 47 -7.827 0.968 -8.643 1.00 0.00 O ATOM 0 H GLY A 47 -4.941 3.787 -10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.390 3.701 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.639 3.321 -9.727 1.00 0.00 H new ATOM 728 N TRP A 48 -5.621 1.046 -8.435 1.00 0.00 N ATOM 729 CA TRP A 48 -5.501 -0.324 -7.863 1.00 0.00 C ATOM 730 C TRP A 48 -4.225 -0.751 -7.135 1.00 0.00 C ATOM 731 O TRP A 48 -3.364 -1.423 -7.671 1.00 0.00 O ATOM 732 CB TRP A 48 -5.746 -1.450 -8.920 1.00 0.00 C ATOM 733 CG TRP A 48 -6.066 -2.717 -8.095 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.190 -3.396 -7.299 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.279 -3.276 -7.966 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.929 -4.317 -6.718 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.185 -4.310 -7.071 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.496 -3.025 -8.558 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -8.247 -5.074 -6.751 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.588 -3.800 -8.248 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.443 -4.821 -7.340 1.00 0.00 C ATOM 0 H TRP A 48 -4.730 1.532 -8.538 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.276 -0.221 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.571 -1.194 -9.584 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.867 -1.600 -9.547 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.132 -3.218 -7.174 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.550 -4.983 -6.045 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.593 -2.217 -9.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.148 -5.877 -6.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.545 -3.609 -8.711 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.297 -5.434 -7.090 1.00 0.00 H new ATOM 752 N THR A 49 -4.152 -0.272 -5.944 1.00 0.00 N ATOM 753 CA THR A 49 -3.064 -0.551 -4.984 1.00 0.00 C ATOM 754 C THR A 49 -3.611 -0.222 -3.626 1.00 0.00 C ATOM 755 O THR A 49 -3.883 0.952 -3.384 1.00 0.00 O ATOM 756 CB THR A 49 -1.735 0.291 -5.137 1.00 0.00 C ATOM 757 OG1 THR A 49 -2.023 1.634 -5.467 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.054 -0.225 -6.342 1.00 0.00 C ATOM 0 H THR A 49 -4.862 0.354 -5.565 1.00 0.00 H new ATOM 0 HA THR A 49 -2.777 -1.588 -5.159 1.00 0.00 H new ATOM 0 HB THR A 49 -1.167 0.224 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.945 1.700 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.125 0.323 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.833 -1.284 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.701 -0.095 -7.209 1.00 0.00 H new ATOM 766 N ALA A 50 -3.832 -1.227 -2.791 1.00 0.00 N ATOM 767 CA ALA A 50 -4.329 -0.674 -1.446 1.00 0.00 C ATOM 768 C ALA A 50 -2.891 -0.310 -0.959 1.00 0.00 C ATOM 769 O ALA A 50 -2.104 -1.213 -0.769 1.00 0.00 O ATOM 770 CB ALA A 50 -4.916 -1.709 -0.439 1.00 0.00 C ATOM 0 H ALA A 50 -3.721 -2.232 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.133 0.058 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.231 -1.195 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.774 -2.208 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.154 -2.449 -0.192 1.00 0.00 H new ATOM 776 N PHE A 51 -2.598 0.963 -0.781 1.00 0.00 N ATOM 777 CA PHE A 51 -1.209 1.404 -0.338 1.00 0.00 C ATOM 778 C PHE A 51 -0.873 1.559 1.161 1.00 0.00 C ATOM 779 O PHE A 51 -1.753 1.843 1.957 1.00 0.00 O ATOM 780 CB PHE A 51 -0.920 2.767 -1.081 1.00 0.00 C ATOM 781 CG PHE A 51 0.354 3.489 -0.541 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.367 4.186 0.664 1.00 0.00 C ATOM 783 CD2 PHE A 51 1.519 3.451 -1.266 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.508 4.826 1.124 1.00 0.00 C ATOM 785 CE2 PHE A 51 2.663 4.088 -0.812 1.00 0.00 C ATOM 786 CZ PHE A 51 2.664 4.776 0.381 1.00 0.00 C ATOM 0 H PHE A 51 -3.259 1.727 -0.922 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.570 0.561 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.800 2.576 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.781 3.426 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.535 4.229 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.544 2.917 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.489 5.361 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.566 4.044 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.560 5.269 0.728 1.00 0.00 H new ATOM 796 N CYS A 52 0.398 1.393 1.496 1.00 0.00 N ATOM 797 CA CYS A 52 0.826 1.521 2.936 1.00 0.00 C ATOM 798 C CYS A 52 2.200 2.201 3.119 1.00 0.00 C ATOM 799 O CYS A 52 3.076 2.034 2.293 1.00 0.00 O ATOM 800 CB CYS A 52 0.853 0.109 3.540 1.00 0.00 C ATOM 801 SG CYS A 52 0.090 -0.009 5.170 1.00 0.00 S ATOM 0 H CYS A 52 1.148 1.177 0.839 1.00 0.00 H new ATOM 0 HA CYS A 52 0.111 2.168 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.343 -0.575 2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.888 -0.225 3.610 1.00 0.00 H new ATOM 806 N GLY A 53 2.365 2.923 4.196 1.00 0.00 N ATOM 807 CA GLY A 53 3.667 3.620 4.458 1.00 0.00 C ATOM 808 C GLY A 53 3.513 5.014 5.113 1.00 0.00 C ATOM 809 O GLY A 53 2.448 5.594 5.067 1.00 0.00 O ATOM 0 H GLY A 53 1.652 3.063 4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.280 2.992 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.205 3.730 3.516 1.00 0.00 H new ATOM 813 N PRO A 54 4.577 5.515 5.698 1.00 0.00 N ATOM 814 CA PRO A 54 4.537 6.682 6.640 1.00 0.00 C ATOM 815 C PRO A 54 4.166 8.076 6.060 1.00 0.00 C ATOM 816 O PRO A 54 3.406 8.801 6.668 1.00 0.00 O ATOM 817 CB PRO A 54 5.935 6.636 7.276 1.00 0.00 C ATOM 818 CG PRO A 54 6.805 6.165 6.080 1.00 0.00 C ATOM 819 CD PRO A 54 5.967 5.005 5.515 1.00 0.00 C ATOM 0 HA PRO A 54 3.707 6.576 7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.247 7.611 7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.981 5.942 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.953 6.957 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.794 5.837 6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.196 4.808 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.136 4.076 6.059 1.00 0.00 H new ATOM 827 N ALA A 55 4.676 8.443 4.913 1.00 0.00 N ATOM 828 CA ALA A 55 4.355 9.788 4.317 1.00 0.00 C ATOM 829 C ALA A 55 3.500 9.637 3.034 1.00 0.00 C ATOM 830 O ALA A 55 3.967 9.832 1.923 1.00 0.00 O ATOM 831 CB ALA A 55 5.714 10.488 4.045 1.00 0.00 C ATOM 0 H ALA A 55 5.307 7.868 4.354 1.00 0.00 H new ATOM 0 HA ALA A 55 3.755 10.392 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.536 11.472 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.260 10.598 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.301 9.886 3.352 1.00 0.00 H new ATOM 837 N GLY A 56 2.261 9.270 3.260 1.00 0.00 N ATOM 838 CA GLY A 56 1.267 9.067 2.141 1.00 0.00 C ATOM 839 C GLY A 56 -0.128 9.718 2.315 1.00 0.00 C ATOM 840 O GLY A 56 -1.099 8.976 2.394 1.00 0.00 O ATOM 0 H GLY A 56 1.883 9.097 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.708 9.452 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.126 7.995 2.003 1.00 0.00 H new ATOM 844 N PRO A 57 -0.216 11.036 2.357 1.00 0.00 N ATOM 845 CA PRO A 57 -1.508 11.704 2.658 1.00 0.00 C ATOM 846 C PRO A 57 -2.567 11.327 1.603 1.00 0.00 C ATOM 847 O PRO A 57 -2.612 11.858 0.510 1.00 0.00 O ATOM 848 CB PRO A 57 -1.197 13.224 2.676 1.00 0.00 C ATOM 849 CG PRO A 57 0.306 13.391 2.309 1.00 0.00 C ATOM 850 CD PRO A 57 0.908 11.972 2.107 1.00 0.00 C ATOM 0 HA PRO A 57 -1.927 11.392 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.828 13.754 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.402 13.647 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.414 13.984 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.836 13.921 3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.304 11.852 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.732 11.792 2.797 1.00 0.00 H new ATOM 858 N ARG A 58 -3.402 10.397 1.976 1.00 0.00 N ATOM 859 CA ARG A 58 -4.482 9.940 1.060 1.00 0.00 C ATOM 860 C ARG A 58 -5.730 9.507 1.859 1.00 0.00 C ATOM 861 O ARG A 58 -5.659 9.077 2.993 1.00 0.00 O ATOM 862 CB ARG A 58 -3.833 8.808 0.196 1.00 0.00 C ATOM 863 CG ARG A 58 -4.542 7.433 0.298 1.00 0.00 C ATOM 864 CD ARG A 58 -3.758 6.403 -0.555 1.00 0.00 C ATOM 865 NE ARG A 58 -2.506 5.975 0.170 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.545 5.528 1.366 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.837 4.304 1.506 1.00 0.00 N ATOM 868 NH2 ARG A 58 -2.294 6.300 2.348 1.00 0.00 N ATOM 0 H ARG A 58 -3.381 9.931 2.883 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.857 10.726 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.828 9.123 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.793 8.689 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.586 7.107 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.570 7.511 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.385 5.535 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.498 6.840 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.607 6.044 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.027 3.728 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.882 3.894 2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.061 7.279 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.326 5.939 3.302 1.00 0.00 H new ATOM 882 N GLY A 59 -6.840 9.650 1.195 1.00 0.00 N ATOM 883 CA GLY A 59 -8.200 9.306 1.733 1.00 0.00 C ATOM 884 C GLY A 59 -9.138 9.289 0.523 1.00 0.00 C ATOM 885 O GLY A 59 -8.677 9.494 -0.587 1.00 0.00 O ATOM 0 H GLY A 59 -6.866 10.013 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.189 8.337 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.526 10.040 2.470 1.00 0.00 H new ATOM 889 N GLN A 60 -10.402 9.044 0.767 1.00 0.00 N ATOM 890 CA GLN A 60 -11.434 9.005 -0.329 1.00 0.00 C ATOM 891 C GLN A 60 -10.997 9.732 -1.650 1.00 0.00 C ATOM 892 O GLN A 60 -10.956 9.153 -2.711 1.00 0.00 O ATOM 893 CB GLN A 60 -12.751 9.610 0.282 1.00 0.00 C ATOM 894 CG GLN A 60 -13.397 8.570 1.289 1.00 0.00 C ATOM 895 CD GLN A 60 -14.734 9.073 1.858 1.00 0.00 C ATOM 896 OE1 GLN A 60 -14.881 9.390 3.017 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.769 9.180 1.093 1.00 0.00 N ATOM 0 H GLN A 60 -10.775 8.865 1.699 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.583 7.975 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.528 10.543 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.457 9.848 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.555 7.620 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.703 8.379 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.703 8.927 0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.653 9.518 1.475 1.00 0.00 H new ATOM 906 N ALA A 61 -10.655 10.993 -1.575 1.00 0.00 N ATOM 907 CA ALA A 61 -10.217 11.800 -2.777 1.00 0.00 C ATOM 908 C ALA A 61 -9.147 11.183 -3.741 1.00 0.00 C ATOM 909 O ALA A 61 -9.022 11.613 -4.874 1.00 0.00 O ATOM 910 CB ALA A 61 -9.718 13.158 -2.234 1.00 0.00 C ATOM 0 H ALA A 61 -10.659 11.523 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.091 11.859 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.388 13.783 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.528 13.658 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.885 12.993 -1.551 1.00 0.00 H new ATOM 916 N ALA A 62 -8.407 10.211 -3.278 1.00 0.00 N ATOM 917 CA ALA A 62 -7.348 9.548 -4.112 1.00 0.00 C ATOM 918 C ALA A 62 -7.871 8.279 -4.840 1.00 0.00 C ATOM 919 O ALA A 62 -7.133 7.630 -5.557 1.00 0.00 O ATOM 920 CB ALA A 62 -6.175 9.248 -3.129 1.00 0.00 C ATOM 0 H ALA A 62 -8.491 9.836 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.019 10.193 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.363 8.762 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.815 10.181 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.526 8.591 -2.334 1.00 0.00 H new ATOM 926 N CYS A 63 -9.129 8.000 -4.602 1.00 0.00 N ATOM 927 CA CYS A 63 -9.899 6.845 -5.170 1.00 0.00 C ATOM 928 C CYS A 63 -9.843 6.881 -6.712 1.00 0.00 C ATOM 929 O CYS A 63 -10.799 7.207 -7.389 1.00 0.00 O ATOM 930 CB CYS A 63 -11.300 7.023 -4.580 1.00 0.00 C ATOM 931 SG CYS A 63 -12.634 5.815 -4.709 1.00 0.00 S ATOM 0 H CYS A 63 -9.698 8.578 -3.984 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.504 5.861 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.157 7.199 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.690 7.947 -5.006 1.00 0.00 H new ATOM 936 N GLY A 64 -8.687 6.557 -7.227 1.00 0.00 N ATOM 937 CA GLY A 64 -8.460 6.538 -8.711 1.00 0.00 C ATOM 938 C GLY A 64 -7.248 7.369 -9.120 1.00 0.00 C ATOM 939 O GLY A 64 -7.288 8.114 -10.079 1.00 0.00 O ATOM 0 H GLY A 64 -7.870 6.298 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.321 5.509 -9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.347 6.919 -9.217 1.00 0.00 H new ATOM 943 N LYS A 65 -6.201 7.215 -8.356 1.00 0.00 N ATOM 944 CA LYS A 65 -4.920 7.937 -8.608 1.00 0.00 C ATOM 945 C LYS A 65 -3.871 6.872 -8.991 1.00 0.00 C ATOM 946 O LYS A 65 -4.143 5.703 -9.223 1.00 0.00 O ATOM 947 CB LYS A 65 -4.525 8.707 -7.292 1.00 0.00 C ATOM 948 CG LYS A 65 -4.889 10.215 -7.339 1.00 0.00 C ATOM 949 CD LYS A 65 -6.348 10.396 -7.831 1.00 0.00 C ATOM 950 CE LYS A 65 -6.740 11.866 -7.811 1.00 0.00 C ATOM 951 NZ LYS A 65 -8.029 12.001 -8.557 1.00 0.00 N ATOM 0 H LYS A 65 -6.180 6.600 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.997 8.667 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.027 8.244 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.453 8.603 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.774 10.656 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.205 10.742 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.449 10.001 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.025 9.825 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.852 12.218 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.964 12.475 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.325 12.998 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.900 11.674 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.760 11.425 -8.093 1.00 0.00 H new ATOM 965 N CYS A 66 -2.665 7.368 -9.066 1.00 0.00 N ATOM 966 CA CYS A 66 -1.469 6.564 -9.398 1.00 0.00 C ATOM 967 C CYS A 66 -0.284 6.983 -8.489 1.00 0.00 C ATOM 968 O CYS A 66 -0.270 8.042 -7.893 1.00 0.00 O ATOM 969 CB CYS A 66 -1.153 6.802 -10.849 1.00 0.00 C ATOM 970 SG CYS A 66 -2.101 5.826 -12.032 1.00 0.00 S ATOM 0 H CYS A 66 -2.459 8.353 -8.900 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.650 5.502 -9.230 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.313 7.858 -11.067 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.094 6.601 -11.008 1.00 0.00 H new ATOM 975 N LEU A 67 0.709 6.156 -8.370 1.00 0.00 N ATOM 976 CA LEU A 67 1.882 6.532 -7.496 1.00 0.00 C ATOM 977 C LEU A 67 3.083 6.273 -8.388 1.00 0.00 C ATOM 978 O LEU A 67 3.086 5.277 -9.074 1.00 0.00 O ATOM 979 CB LEU A 67 1.883 5.613 -6.221 1.00 0.00 C ATOM 980 CG LEU A 67 2.393 6.336 -4.943 1.00 0.00 C ATOM 981 CD1 LEU A 67 2.171 5.348 -3.778 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.909 6.621 -4.971 1.00 0.00 C ATOM 0 H LEU A 67 0.774 5.246 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 67 1.867 7.560 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.871 5.248 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.508 4.741 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 67 1.866 7.286 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.512 5.801 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.110 5.111 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.734 4.434 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.201 7.127 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.454 5.681 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.144 7.257 -5.825 1.00 0.00 H new ATOM 994 N ARG A 68 4.069 7.107 -8.395 1.00 0.00 N ATOM 995 CA ARG A 68 5.212 6.781 -9.293 1.00 0.00 C ATOM 996 C ARG A 68 6.312 6.343 -8.316 1.00 0.00 C ATOM 997 O ARG A 68 6.741 7.107 -7.466 1.00 0.00 O ATOM 998 CB ARG A 68 5.543 8.052 -10.089 1.00 0.00 C ATOM 999 CG ARG A 68 6.870 7.834 -10.834 1.00 0.00 C ATOM 1000 CD ARG A 68 7.197 9.066 -11.672 1.00 0.00 C ATOM 1001 NE ARG A 68 6.471 8.863 -12.968 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.003 9.117 -14.101 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.125 8.593 -14.393 1.00 0.00 N ATOM 1004 NH2 ARG A 68 6.361 9.896 -14.876 1.00 0.00 N ATOM 0 H ARG A 68 4.143 7.965 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 68 5.043 5.999 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.744 8.274 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.622 8.908 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.672 7.644 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.799 6.955 -11.475 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.868 9.979 -11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.271 9.159 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 68 5.515 8.508 -12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.590 7.978 -13.725 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.560 8.788 -15.295 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.466 10.285 -14.581 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.742 10.131 -15.793 1.00 0.00 H new ATOM 1018 N VAL A 69 6.709 5.109 -8.479 1.00 0.00 N ATOM 1019 CA VAL A 69 7.767 4.482 -7.617 1.00 0.00 C ATOM 1020 C VAL A 69 8.995 4.075 -8.424 1.00 0.00 C ATOM 1021 O VAL A 69 8.867 3.303 -9.353 1.00 0.00 O ATOM 1022 CB VAL A 69 7.146 3.250 -6.934 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.171 2.594 -5.992 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.921 3.691 -6.128 1.00 0.00 C ATOM 0 H VAL A 69 6.335 4.487 -9.195 1.00 0.00 H new ATOM 0 HA VAL A 69 8.106 5.209 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 69 6.851 2.526 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.721 1.724 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.044 2.283 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.474 3.311 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.475 2.824 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.224 4.416 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.191 4.147 -6.796 1.00 0.00 H new ATOM 1034 N THR A 70 10.125 4.601 -8.011 1.00 0.00 N ATOM 1035 CA THR A 70 11.445 4.314 -8.703 1.00 0.00 C ATOM 1036 C THR A 70 12.468 3.562 -7.801 1.00 0.00 C ATOM 1037 O THR A 70 12.518 3.800 -6.607 1.00 0.00 O ATOM 1038 CB THR A 70 12.034 5.676 -9.176 1.00 0.00 C ATOM 1039 OG1 THR A 70 11.169 6.200 -10.186 1.00 0.00 O ATOM 1040 CG2 THR A 70 13.358 5.477 -9.917 1.00 0.00 C ATOM 0 H THR A 70 10.199 5.229 -7.211 1.00 0.00 H new ATOM 0 HA THR A 70 11.255 3.647 -9.544 1.00 0.00 H new ATOM 0 HB THR A 70 12.151 6.309 -8.296 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.073 7.168 -10.064 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.746 6.445 -10.235 1.00 0.00 H new ATOM 0 HG22 THR A 70 14.078 4.998 -9.253 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.195 4.846 -10.791 1.00 0.00 H new ATOM 1048 N ASN A 71 13.237 2.693 -8.431 1.00 0.00 N ATOM 1049 CA ASN A 71 14.306 1.828 -7.792 1.00 0.00 C ATOM 1050 C ASN A 71 15.809 2.128 -8.192 1.00 0.00 C ATOM 1051 O ASN A 71 16.396 1.418 -9.004 1.00 0.00 O ATOM 1052 CB ASN A 71 13.901 0.399 -8.155 1.00 0.00 C ATOM 1053 CG ASN A 71 14.779 -0.609 -7.436 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.763 -0.730 -6.233 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.583 -1.371 -8.092 1.00 0.00 N ATOM 0 H ASN A 71 13.160 2.538 -9.436 1.00 0.00 H new ATOM 0 HA ASN A 71 14.331 2.033 -6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.857 0.233 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.982 0.256 -9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.171 -2.040 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.632 -1.306 -9.109 1.00 0.00 H new ATOM 1062 N PRO A 72 16.370 3.169 -7.594 1.00 0.00 N ATOM 1063 CA PRO A 72 17.620 3.898 -8.034 1.00 0.00 C ATOM 1064 C PRO A 72 18.883 3.075 -8.297 1.00 0.00 C ATOM 1065 O PRO A 72 19.846 3.554 -8.858 1.00 0.00 O ATOM 1066 CB PRO A 72 17.849 4.942 -6.938 1.00 0.00 C ATOM 1067 CG PRO A 72 16.428 5.224 -6.453 1.00 0.00 C ATOM 1068 CD PRO A 72 15.837 3.812 -6.349 1.00 0.00 C ATOM 0 HA PRO A 72 17.443 4.301 -9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.483 4.559 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.332 5.839 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.420 5.741 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.874 5.847 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.167 3.295 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.747 3.824 -6.329 1.00 0.00 H new ATOM 1076 N ALA A 73 18.846 1.850 -7.874 1.00 0.00 N ATOM 1077 CA ALA A 73 20.001 0.916 -8.053 1.00 0.00 C ATOM 1078 C ALA A 73 19.992 0.375 -9.495 1.00 0.00 C ATOM 1079 O ALA A 73 21.007 0.038 -10.071 1.00 0.00 O ATOM 1080 CB ALA A 73 19.824 -0.196 -7.012 1.00 0.00 C ATOM 0 H ALA A 73 18.044 1.438 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 73 20.964 1.404 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.644 -0.909 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.825 0.238 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.878 -0.708 -7.184 1.00 0.00 H new ATOM 1086 N THR A 74 18.798 0.330 -10.018 1.00 0.00 N ATOM 1087 CA THR A 74 18.561 -0.172 -11.416 1.00 0.00 C ATOM 1088 C THR A 74 18.067 0.902 -12.367 1.00 0.00 C ATOM 1089 O THR A 74 18.507 0.985 -13.495 1.00 0.00 O ATOM 1090 CB THR A 74 17.509 -1.306 -11.420 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.312 -0.809 -10.822 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.929 -2.410 -10.457 1.00 0.00 C ATOM 0 H THR A 74 17.953 0.625 -9.529 1.00 0.00 H new ATOM 0 HA THR A 74 19.533 -0.526 -11.760 1.00 0.00 H new ATOM 0 HB THR A 74 17.395 -1.654 -12.447 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.534 -0.086 -10.198 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.183 -3.204 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.893 -2.814 -10.765 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.012 -2.002 -9.450 1.00 0.00 H new ATOM 1100 N GLY A 75 17.157 1.702 -11.887 1.00 0.00 N ATOM 1101 CA GLY A 75 16.599 2.791 -12.747 1.00 0.00 C ATOM 1102 C GLY A 75 15.168 2.452 -13.139 1.00 0.00 C ATOM 1103 O GLY A 75 14.517 3.261 -13.760 1.00 0.00 O ATOM 0 H GLY A 75 16.775 1.653 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.625 3.740 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.212 2.913 -13.640 1.00 0.00 H new ATOM 1107 N ALA A 76 14.690 1.287 -12.780 1.00 0.00 N ATOM 1108 CA ALA A 76 13.286 0.958 -13.166 1.00 0.00 C ATOM 1109 C ALA A 76 12.305 1.754 -12.262 1.00 0.00 C ATOM 1110 O ALA A 76 12.532 1.939 -11.076 1.00 0.00 O ATOM 1111 CB ALA A 76 13.109 -0.564 -12.999 1.00 0.00 C ATOM 0 H ALA A 76 15.192 0.571 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 76 13.075 1.235 -14.199 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.092 -0.844 -13.273 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.815 -1.085 -13.645 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.295 -0.840 -11.961 1.00 0.00 H new ATOM 1117 N GLN A 77 11.242 2.214 -12.872 1.00 0.00 N ATOM 1118 CA GLN A 77 10.186 3.000 -12.144 1.00 0.00 C ATOM 1119 C GLN A 77 8.765 2.647 -12.645 1.00 0.00 C ATOM 1120 O GLN A 77 8.563 2.527 -13.836 1.00 0.00 O ATOM 1121 CB GLN A 77 10.499 4.514 -12.338 1.00 0.00 C ATOM 1122 CG GLN A 77 10.587 4.982 -13.842 1.00 0.00 C ATOM 1123 CD GLN A 77 10.684 6.516 -13.956 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.463 7.115 -14.986 1.00 0.00 O ATOM 1125 NE2 GLN A 77 11.003 7.249 -12.940 1.00 0.00 N ATOM 0 H GLN A 77 11.053 2.077 -13.865 1.00 0.00 H new ATOM 0 HA GLN A 77 10.203 2.749 -11.084 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.728 5.098 -11.835 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.444 4.742 -11.845 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.457 4.526 -14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.709 4.631 -14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.203 6.813 -12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.055 8.263 -13.039 1.00 0.00 H new ATOM 1134 N ILE A 78 7.805 2.496 -11.776 1.00 0.00 N ATOM 1135 CA ILE A 78 6.405 2.143 -12.218 1.00 0.00 C ATOM 1136 C ILE A 78 5.277 3.045 -11.659 1.00 0.00 C ATOM 1137 O ILE A 78 5.473 3.773 -10.705 1.00 0.00 O ATOM 1138 CB ILE A 78 6.259 0.691 -11.801 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.138 -0.031 -12.580 1.00 0.00 C ATOM 1140 CG2 ILE A 78 6.000 0.590 -10.289 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.674 -0.576 -13.919 1.00 0.00 C ATOM 0 H ILE A 78 7.921 2.601 -10.768 1.00 0.00 H new ATOM 0 HA ILE A 78 6.287 2.305 -13.289 1.00 0.00 H new ATOM 0 HB ILE A 78 7.198 0.193 -12.041 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.740 -0.850 -11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.314 0.658 -12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.898 -0.458 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.836 1.032 -9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.083 1.124 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.870 -1.082 -14.454 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.049 0.250 -14.524 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.482 -1.282 -13.727 1.00 0.00 H new ATOM 1153 N THR A 79 4.129 2.947 -12.278 1.00 0.00 N ATOM 1154 CA THR A 79 2.918 3.727 -11.889 1.00 0.00 C ATOM 1155 C THR A 79 1.926 2.796 -11.177 1.00 0.00 C ATOM 1156 O THR A 79 1.430 1.838 -11.748 1.00 0.00 O ATOM 1157 CB THR A 79 2.266 4.306 -13.158 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.266 5.142 -13.714 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.208 5.325 -12.829 1.00 0.00 C ATOM 0 H THR A 79 3.977 2.328 -13.074 1.00 0.00 H new ATOM 0 HA THR A 79 3.196 4.540 -11.218 1.00 0.00 H new ATOM 0 HB THR A 79 1.873 3.485 -13.757 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.928 5.554 -14.537 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.773 5.709 -13.752 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.428 4.859 -12.227 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.656 6.147 -12.270 1.00 0.00 H new ATOM 1167 N ALA A 80 1.689 3.129 -9.938 1.00 0.00 N ATOM 1168 CA ALA A 80 0.746 2.364 -9.059 1.00 0.00 C ATOM 1169 C ALA A 80 -0.639 2.821 -9.428 1.00 0.00 C ATOM 1170 O ALA A 80 -0.791 3.821 -10.100 1.00 0.00 O ATOM 1171 CB ALA A 80 0.861 2.712 -7.593 1.00 0.00 C ATOM 0 H ALA A 80 2.125 3.929 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 80 0.964 1.305 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.148 2.118 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.872 2.498 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.646 3.771 -7.453 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.612 2.078 -8.977 1.00 0.00 N ATOM 1178 CA ARG A 81 -2.988 2.426 -9.275 1.00 0.00 C ATOM 1179 C ARG A 81 -3.400 2.931 -7.834 1.00 0.00 C ATOM 1180 O ARG A 81 -3.909 2.127 -7.082 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.341 0.994 -9.846 1.00 0.00 C ATOM 1182 CG ARG A 81 -2.280 0.450 -10.864 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.734 -0.868 -11.455 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.967 -1.049 -12.732 1.00 0.00 N ATOM 1185 CZ ARG A 81 -0.712 -1.254 -12.857 1.00 0.00 C ATOM 1186 NH1 ARG A 81 0.124 -0.352 -12.486 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -0.384 -2.379 -13.363 1.00 0.00 N ATOM 0 H ARG A 81 -1.489 1.239 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.406 3.169 -9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.431 0.292 -9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.314 1.036 -10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.126 1.178 -11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.321 0.319 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.539 -1.690 -10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.807 -0.859 -11.645 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.507 -1.003 -13.596 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.214 0.526 -12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.126 -0.514 -12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.106 -3.045 -13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.600 -2.612 -13.493 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.236 4.158 -7.406 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.676 4.428 -5.975 1.00 0.00 C ATOM 1203 C ILE A 82 -5.186 4.472 -5.776 1.00 0.00 C ATOM 1204 O ILE A 82 -5.862 5.299 -6.352 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.166 5.762 -5.457 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -1.656 5.859 -5.622 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.518 5.843 -3.934 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.252 7.228 -5.092 1.00 0.00 C ATOM 0 H ILE A 82 -2.847 4.943 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.252 3.583 -5.432 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.627 6.576 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.153 5.065 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.372 5.748 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.165 6.791 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.598 5.773 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.036 5.021 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.173 7.351 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.758 8.004 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.536 7.310 -4.043 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.693 3.582 -4.965 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.186 3.618 -4.749 1.00 0.00 C ATOM 1222 C VAL A 83 -7.669 3.299 -3.321 1.00 0.00 C ATOM 1223 O VAL A 83 -8.593 3.938 -2.850 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.824 2.651 -5.792 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.990 1.218 -5.289 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.191 3.196 -6.206 1.00 0.00 C ATOM 0 H VAL A 83 -5.176 2.861 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.509 4.650 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.136 2.606 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.440 0.607 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.014 0.809 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.634 1.213 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.644 2.525 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.835 3.267 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.070 4.185 -6.648 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.022 2.333 -2.700 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.385 1.916 -1.309 1.00 0.00 C ATOM 1238 C ASP A 84 -6.279 2.250 -0.274 1.00 0.00 C ATOM 1239 O ASP A 84 -5.144 2.613 -0.546 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.685 0.385 -1.365 1.00 0.00 C ATOM 1241 CG ASP A 84 -9.033 0.150 -2.031 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.943 0.759 -1.515 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -9.112 -0.607 -2.977 1.00 0.00 O ATOM 0 H ASP A 84 -6.247 1.811 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.258 2.473 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.900 -0.129 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.689 -0.032 -0.358 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.701 2.086 0.942 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.820 2.341 2.118 1.00 0.00 C ATOM 1250 C GLN A 85 -5.557 0.979 2.770 1.00 0.00 C ATOM 1251 O GLN A 85 -6.400 0.108 2.740 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.587 3.297 3.049 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.823 3.601 4.392 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.672 4.516 5.287 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.329 4.872 6.390 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.817 4.949 4.873 1.00 0.00 N ATOM 0 H GLN A 85 -7.644 1.778 1.181 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.863 2.798 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.772 4.234 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.560 2.864 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.605 2.669 4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.866 4.077 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.160 4.682 3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.378 5.558 5.469 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.397 0.810 3.336 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.073 -0.493 4.001 1.00 0.00 C ATOM 1267 C CYS A 86 -4.601 -0.502 5.461 1.00 0.00 C ATOM 1268 O CYS A 86 -4.909 0.540 6.013 1.00 0.00 O ATOM 1269 CB CYS A 86 -2.576 -0.596 3.929 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.725 0.766 4.758 1.00 0.00 S ATOM 0 H CYS A 86 -3.657 1.512 3.370 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.546 -1.348 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.262 -1.538 4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.270 -0.623 2.883 1.00 0.00 H new ATOM 1275 N ALA A 87 -4.701 -1.672 6.042 1.00 0.00 N ATOM 1276 CA ALA A 87 -5.203 -1.795 7.463 1.00 0.00 C ATOM 1277 C ALA A 87 -4.464 -2.961 8.182 1.00 0.00 C ATOM 1278 O ALA A 87 -4.899 -3.524 9.168 1.00 0.00 O ATOM 1279 CB ALA A 87 -6.715 -2.048 7.367 1.00 0.00 C ATOM 0 H ALA A 87 -4.457 -2.557 5.598 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.011 -0.895 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.132 -2.145 8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.192 -1.212 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.895 -2.966 6.808 1.00 0.00 H new ATOM 1285 N ASN A 88 -3.336 -3.262 7.608 1.00 0.00 N ATOM 1286 CA ASN A 88 -2.437 -4.356 8.086 1.00 0.00 C ATOM 1287 C ASN A 88 -0.916 -4.094 7.921 1.00 0.00 C ATOM 1288 O ASN A 88 -0.161 -4.245 8.860 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.962 -5.620 7.317 1.00 0.00 C ATOM 1290 CG ASN A 88 -3.227 -5.344 5.821 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -3.655 -4.289 5.401 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -3.003 -6.261 4.947 1.00 0.00 N ATOM 0 H ASN A 88 -2.981 -2.772 6.787 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.489 -4.469 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.233 -6.425 7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.882 -5.968 7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.186 -6.080 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.643 -7.169 5.241 1.00 0.00 H new ATOM 1299 N GLY A 89 -0.510 -3.712 6.732 1.00 0.00 N ATOM 1300 CA GLY A 89 0.954 -3.425 6.452 1.00 0.00 C ATOM 1301 C GLY A 89 1.592 -4.161 5.254 1.00 0.00 C ATOM 1302 O GLY A 89 1.711 -5.368 5.250 1.00 0.00 O ATOM 0 H GLY A 89 -1.128 -3.583 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.065 -2.353 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.526 -3.673 7.346 1.00 0.00 H new ATOM 1306 N GLY A 90 1.978 -3.393 4.270 1.00 0.00 N ATOM 1307 CA GLY A 90 2.624 -3.936 3.029 1.00 0.00 C ATOM 1308 C GLY A 90 3.162 -2.789 2.201 1.00 0.00 C ATOM 1309 O GLY A 90 4.300 -2.425 2.394 1.00 0.00 O ATOM 0 H GLY A 90 1.870 -2.379 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.432 -4.618 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.900 -4.509 2.450 1.00 0.00 H new ATOM 1313 N LEU A 91 2.314 -2.299 1.336 1.00 0.00 N ATOM 1314 CA LEU A 91 2.648 -1.122 0.413 1.00 0.00 C ATOM 1315 C LEU A 91 1.706 -0.944 -0.750 1.00 0.00 C ATOM 1316 O LEU A 91 1.478 0.117 -1.305 1.00 0.00 O ATOM 1317 CB LEU A 91 4.126 -1.205 -0.202 1.00 0.00 C ATOM 1318 CG LEU A 91 4.807 0.229 -0.205 1.00 0.00 C ATOM 1319 CD1 LEU A 91 6.270 0.143 -0.656 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.102 1.222 -1.154 1.00 0.00 C ATOM 0 H LEU A 91 1.369 -2.663 1.212 1.00 0.00 H new ATOM 0 HA LEU A 91 2.552 -0.269 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.730 -1.900 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.082 -1.596 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 91 4.729 0.587 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.712 1.139 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.823 -0.504 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.316 -0.267 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.610 2.186 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.133 0.836 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.064 1.346 -0.845 1.00 0.00 H new ATOM 1332 N ASP A 92 1.190 -2.071 -1.011 1.00 0.00 N ATOM 1333 CA ASP A 92 0.212 -2.246 -2.113 1.00 0.00 C ATOM 1334 C ASP A 92 -0.716 -3.527 -2.151 1.00 0.00 C ATOM 1335 O ASP A 92 -0.371 -4.610 -1.725 1.00 0.00 O ATOM 1336 CB ASP A 92 1.116 -2.073 -3.427 1.00 0.00 C ATOM 1337 CG ASP A 92 2.470 -2.862 -3.430 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.786 -3.544 -2.469 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.165 -2.738 -4.430 1.00 0.00 O ATOM 0 H ASP A 92 1.401 -2.926 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.586 -1.514 -1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.532 -2.388 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.334 -1.013 -3.558 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.934 -3.391 -2.653 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.893 -4.578 -2.764 1.00 0.00 C ATOM 1346 C LEU A 93 -2.850 -4.711 -4.274 1.00 0.00 C ATOM 1347 O LEU A 93 -3.792 -4.465 -4.979 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.413 -4.260 -2.253 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.643 -4.087 -3.326 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -7.013 -4.143 -2.619 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.659 -2.739 -4.175 1.00 0.00 C ATOM 0 H LEU A 93 -2.314 -2.508 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.623 -5.446 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.695 -5.061 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.368 -3.342 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.468 -4.918 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.808 -4.026 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.124 -5.104 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.077 -3.340 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.517 -2.742 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.729 -1.885 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.742 -2.666 -4.759 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.681 -5.022 -4.728 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.387 -5.204 -6.140 1.00 0.00 C ATOM 1365 C ASP A 94 -1.566 -6.639 -6.674 1.00 0.00 C ATOM 1366 O ASP A 94 -2.563 -7.128 -7.173 1.00 0.00 O ATOM 1367 CB ASP A 94 0.047 -4.532 -6.233 1.00 0.00 C ATOM 1368 CG ASP A 94 1.153 -5.084 -5.356 1.00 0.00 C ATOM 1369 OD1 ASP A 94 0.947 -5.081 -4.171 1.00 0.00 O ATOM 1370 OD2 ASP A 94 2.120 -5.496 -5.955 1.00 0.00 O ATOM 0 H ASP A 94 -0.872 -5.164 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.096 -4.741 -6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.379 -4.597 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.065 -3.473 -6.001 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.406 -7.190 -6.460 1.00 0.00 N ATOM 1376 CA TRP A 95 0.170 -8.518 -6.726 1.00 0.00 C ATOM 1377 C TRP A 95 1.257 -8.342 -7.823 1.00 0.00 C ATOM 1378 O TRP A 95 2.355 -8.844 -7.711 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.863 -9.528 -7.259 1.00 0.00 C ATOM 1380 CG TRP A 95 0.014 -10.669 -7.828 1.00 0.00 C ATOM 1381 CD1 TRP A 95 0.175 -10.929 -9.151 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.793 -11.508 -7.111 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.051 -11.919 -9.154 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.476 -12.329 -7.974 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.992 -11.637 -5.749 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 2.354 -13.268 -7.498 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.872 -12.579 -5.267 1.00 0.00 C ATOM 1388 CH2 TRP A 95 2.556 -13.395 -6.141 1.00 0.00 C ATOM 0 H TRP A 95 0.307 -6.618 -6.007 1.00 0.00 H new ATOM 0 HA TRP A 95 0.562 -8.906 -5.786 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.522 -9.884 -6.468 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.497 -9.087 -8.028 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.297 -10.446 -9.994 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.380 -12.343 -10.021 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.456 -10.998 -5.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.887 -13.908 -8.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.026 -12.679 -4.203 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.249 -14.132 -5.763 1.00 0.00 H new ATOM 1399 N ASP A 96 0.873 -7.623 -8.839 1.00 0.00 N ATOM 1400 CA ASP A 96 1.781 -7.358 -10.020 1.00 0.00 C ATOM 1401 C ASP A 96 1.863 -5.875 -10.476 1.00 0.00 C ATOM 1402 O ASP A 96 2.372 -5.556 -11.538 1.00 0.00 O ATOM 1403 CB ASP A 96 1.225 -8.343 -11.131 1.00 0.00 C ATOM 1404 CG ASP A 96 1.932 -8.231 -12.492 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.034 -8.748 -12.580 1.00 0.00 O ATOM 1406 OD2 ASP A 96 1.356 -7.640 -13.393 1.00 0.00 O ATOM 0 H ASP A 96 -0.049 -7.193 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 96 2.826 -7.542 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.318 -9.367 -10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.161 -8.150 -11.271 1.00 0.00 H new ATOM 1411 N THR A 97 1.370 -4.979 -9.669 1.00 0.00 N ATOM 1412 CA THR A 97 1.421 -3.541 -10.101 1.00 0.00 C ATOM 1413 C THR A 97 2.643 -2.711 -9.726 1.00 0.00 C ATOM 1414 O THR A 97 3.338 -2.275 -10.625 1.00 0.00 O ATOM 1415 CB THR A 97 0.152 -2.802 -9.604 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.347 -2.493 -8.244 1.00 0.00 O ATOM 1417 CG2 THR A 97 -1.067 -3.732 -9.619 1.00 0.00 C ATOM 0 H THR A 97 0.947 -5.162 -8.759 1.00 0.00 H new ATOM 0 HA THR A 97 1.485 -3.622 -11.186 1.00 0.00 H new ATOM 0 HB THR A 97 -0.011 -1.934 -10.243 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.521 -2.448 -7.791 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.943 -3.189 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.244 -4.084 -10.635 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.882 -4.585 -8.966 1.00 0.00 H new ATOM 1425 N VAL A 98 2.911 -2.455 -8.472 1.00 0.00 N ATOM 1426 CA VAL A 98 4.121 -1.635 -8.157 1.00 0.00 C ATOM 1427 C VAL A 98 5.445 -2.398 -7.929 1.00 0.00 C ATOM 1428 O VAL A 98 6.353 -2.462 -8.747 1.00 0.00 O ATOM 1429 CB VAL A 98 3.780 -0.769 -6.919 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.922 0.215 -6.591 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.498 0.000 -7.131 1.00 0.00 C ATOM 0 H VAL A 98 2.362 -2.768 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 98 4.331 -1.048 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 98 3.651 -1.450 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.652 0.808 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.835 -0.343 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.088 0.877 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.283 0.599 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.605 0.655 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.679 -0.698 -7.304 1.00 0.00 H new ATOM 1441 N PHE A 99 5.475 -2.985 -6.755 1.00 0.00 N ATOM 1442 CA PHE A 99 6.672 -3.771 -6.294 1.00 0.00 C ATOM 1443 C PHE A 99 7.156 -4.850 -7.272 1.00 0.00 C ATOM 1444 O PHE A 99 8.207 -4.695 -7.861 1.00 0.00 O ATOM 1445 CB PHE A 99 6.307 -4.367 -4.908 1.00 0.00 C ATOM 1446 CG PHE A 99 7.639 -4.602 -4.166 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.420 -5.718 -4.413 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.088 -3.656 -3.250 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.626 -5.881 -3.759 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.299 -3.821 -2.597 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.064 -4.937 -2.858 1.00 0.00 C ATOM 0 H PHE A 99 4.708 -2.953 -6.083 1.00 0.00 H new ATOM 0 HA PHE A 99 7.526 -3.097 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.667 -3.684 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.756 -5.301 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.085 -6.464 -5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.486 -2.783 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.229 -6.755 -3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.641 -3.081 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.010 -5.071 -2.354 1.00 0.00 H new ATOM 1461 N THR A 100 6.381 -5.891 -7.411 1.00 0.00 N ATOM 1462 CA THR A 100 6.603 -7.096 -8.308 1.00 0.00 C ATOM 1463 C THR A 100 7.292 -6.913 -9.645 1.00 0.00 C ATOM 1464 O THR A 100 7.662 -7.871 -10.303 1.00 0.00 O ATOM 1465 CB THR A 100 5.272 -7.758 -8.624 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.246 -7.025 -7.967 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.228 -9.193 -8.201 1.00 0.00 C ATOM 0 H THR A 100 5.510 -5.969 -6.886 1.00 0.00 H new ATOM 0 HA THR A 100 7.294 -7.679 -7.699 1.00 0.00 H new ATOM 0 HB THR A 100 5.130 -7.749 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.652 -7.645 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.255 -9.616 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.009 -9.749 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.388 -9.260 -7.125 1.00 0.00 H new ATOM 1475 N LYS A 101 7.412 -5.673 -10.004 1.00 0.00 N ATOM 1476 CA LYS A 101 8.048 -5.290 -11.273 1.00 0.00 C ATOM 1477 C LYS A 101 9.353 -4.541 -10.989 1.00 0.00 C ATOM 1478 O LYS A 101 10.348 -4.793 -11.637 1.00 0.00 O ATOM 1479 CB LYS A 101 7.059 -4.397 -12.033 1.00 0.00 C ATOM 1480 CG LYS A 101 5.798 -5.194 -12.378 1.00 0.00 C ATOM 1481 CD LYS A 101 6.059 -6.073 -13.634 1.00 0.00 C ATOM 1482 CE LYS A 101 4.858 -6.966 -13.777 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.864 -7.693 -15.094 1.00 0.00 N ATOM 0 H LYS A 101 7.082 -4.886 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 101 8.292 -6.168 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.797 -3.530 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.522 -4.020 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.512 -5.823 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.967 -4.514 -12.565 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.192 -5.454 -14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.969 -6.661 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.842 -7.689 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.949 -6.371 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.022 -8.300 -15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.855 -7.003 -15.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.720 -8.280 -15.163 1.00 0.00 H new ATOM 1497 N ILE A 102 9.336 -3.631 -10.036 1.00 0.00 N ATOM 1498 CA ILE A 102 10.600 -2.861 -9.718 1.00 0.00 C ATOM 1499 C ILE A 102 11.603 -3.643 -8.845 1.00 0.00 C ATOM 1500 O ILE A 102 12.691 -3.169 -8.576 1.00 0.00 O ATOM 1501 CB ILE A 102 10.255 -1.517 -8.969 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.847 -1.798 -7.489 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.092 -0.803 -9.708 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.725 -0.486 -6.700 1.00 0.00 C ATOM 0 H ILE A 102 8.521 -3.388 -9.472 1.00 0.00 H new ATOM 0 HA ILE A 102 11.069 -2.671 -10.684 1.00 0.00 H new ATOM 0 HB ILE A 102 11.138 -0.879 -8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.898 -2.333 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.589 -2.443 -7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.850 0.127 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.392 -0.583 -10.732 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.215 -1.451 -9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.440 -0.705 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.683 0.034 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.965 0.146 -7.160 1.00 0.00 H new ATOM 1516 N ASP A 103 11.240 -4.821 -8.424 1.00 0.00 N ATOM 1517 CA ASP A 103 12.165 -5.632 -7.572 1.00 0.00 C ATOM 1518 C ASP A 103 13.242 -6.340 -8.424 1.00 0.00 C ATOM 1519 O ASP A 103 13.660 -7.444 -8.133 1.00 0.00 O ATOM 1520 CB ASP A 103 11.289 -6.669 -6.776 1.00 0.00 C ATOM 1521 CG ASP A 103 10.381 -7.547 -7.649 1.00 0.00 C ATOM 1522 OD1 ASP A 103 10.036 -7.133 -8.741 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.064 -8.610 -7.142 1.00 0.00 O ATOM 0 H ASP A 103 10.343 -5.261 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 103 12.703 -4.984 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.950 -7.315 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.669 -6.127 -6.061 1.00 0.00 H new ATOM 1528 N THR A 104 13.680 -5.662 -9.453 1.00 0.00 N ATOM 1529 CA THR A 104 14.731 -6.150 -10.424 1.00 0.00 C ATOM 1530 C THR A 104 15.888 -6.930 -9.764 1.00 0.00 C ATOM 1531 O THR A 104 16.439 -7.862 -10.319 1.00 0.00 O ATOM 1532 CB THR A 104 15.237 -4.876 -11.211 1.00 0.00 C ATOM 1533 OG1 THR A 104 14.943 -3.752 -10.387 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.318 -4.605 -12.387 1.00 0.00 C ATOM 0 H THR A 104 13.333 -4.730 -9.679 1.00 0.00 H new ATOM 0 HA THR A 104 14.290 -6.884 -11.098 1.00 0.00 H new ATOM 0 HB THR A 104 16.280 -5.025 -11.488 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.779 -2.967 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.669 -3.726 -12.928 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.318 -5.466 -13.055 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.306 -4.427 -12.024 1.00 0.00 H new ATOM 1542 N ASN A 105 16.224 -6.497 -8.581 1.00 0.00 N ATOM 1543 CA ASN A 105 17.320 -7.145 -7.793 1.00 0.00 C ATOM 1544 C ASN A 105 16.754 -8.196 -6.794 1.00 0.00 C ATOM 1545 O ASN A 105 17.437 -9.138 -6.447 1.00 0.00 O ATOM 1546 CB ASN A 105 18.082 -6.031 -7.045 1.00 0.00 C ATOM 1547 CG ASN A 105 17.104 -5.241 -6.195 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.423 -4.343 -6.638 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.971 -5.529 -4.948 1.00 0.00 N ATOM 0 H ASN A 105 15.779 -5.706 -8.115 1.00 0.00 H new ATOM 0 HA ASN A 105 17.992 -7.681 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.860 -6.465 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.578 -5.372 -7.757 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.310 -5.007 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.526 -6.279 -4.536 1.00 0.00 H new ATOM 1556 N GLY A 106 15.545 -8.020 -6.334 1.00 0.00 N ATOM 1557 CA GLY A 106 14.904 -8.981 -5.368 1.00 0.00 C ATOM 1558 C GLY A 106 15.370 -8.806 -3.926 1.00 0.00 C ATOM 1559 O GLY A 106 14.590 -8.664 -3.008 1.00 0.00 O ATOM 0 H GLY A 106 14.953 -7.230 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.822 -8.855 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.118 -10.001 -5.688 1.00 0.00 H new ATOM 1563 N ILE A 107 16.671 -8.826 -3.805 1.00 0.00 N ATOM 1564 CA ILE A 107 17.428 -8.690 -2.518 1.00 0.00 C ATOM 1565 C ILE A 107 16.680 -8.005 -1.355 1.00 0.00 C ATOM 1566 O ILE A 107 16.885 -8.396 -0.227 1.00 0.00 O ATOM 1567 CB ILE A 107 18.745 -7.942 -2.834 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.564 -8.587 -4.007 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.642 -7.905 -1.570 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.797 -10.116 -3.856 1.00 0.00 C ATOM 0 H ILE A 107 17.286 -8.940 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 107 17.595 -9.700 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 107 18.458 -6.938 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.041 -8.401 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.531 -8.089 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.568 -7.377 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.117 -7.388 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.872 -8.923 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.370 -10.483 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.349 -10.311 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.836 -10.629 -3.818 1.00 0.00 H new ATOM 1582 N GLY A 108 15.859 -7.017 -1.628 1.00 0.00 N ATOM 1583 CA GLY A 108 15.091 -6.309 -0.541 1.00 0.00 C ATOM 1584 C GLY A 108 14.521 -7.351 0.424 1.00 0.00 C ATOM 1585 O GLY A 108 14.594 -7.200 1.630 1.00 0.00 O ATOM 0 H GLY A 108 15.684 -6.664 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.744 -5.618 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.285 -5.716 -0.974 1.00 0.00 H new ATOM 1589 N TYR A 109 13.974 -8.386 -0.164 1.00 0.00 N ATOM 1590 CA TYR A 109 13.375 -9.499 0.643 1.00 0.00 C ATOM 1591 C TYR A 109 14.353 -9.899 1.773 1.00 0.00 C ATOM 1592 O TYR A 109 13.971 -10.006 2.916 1.00 0.00 O ATOM 1593 CB TYR A 109 13.098 -10.702 -0.308 1.00 0.00 C ATOM 1594 CG TYR A 109 12.566 -11.925 0.476 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.507 -11.798 1.358 1.00 0.00 C ATOM 1596 CD2 TYR A 109 13.133 -13.177 0.309 1.00 0.00 C ATOM 1597 CE1 TYR A 109 11.027 -12.889 2.051 1.00 0.00 C ATOM 1598 CE2 TYR A 109 12.647 -14.265 1.009 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.595 -14.120 1.878 1.00 0.00 C ATOM 1600 OH TYR A 109 11.120 -15.201 2.579 1.00 0.00 O ATOM 0 H TYR A 109 13.915 -8.510 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 109 12.438 -9.183 1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.372 -10.409 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.015 -10.973 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.050 -10.831 1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.961 -13.304 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.198 -12.770 2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.098 -15.236 0.871 1.00 0.00 H new ATOM 0 HH TYR A 109 11.634 -15.999 2.337 1.00 0.00 H new ATOM 1610 N GLN A 110 15.595 -10.094 1.399 1.00 0.00 N ATOM 1611 CA GLN A 110 16.682 -10.491 2.359 1.00 0.00 C ATOM 1612 C GLN A 110 16.522 -9.860 3.763 1.00 0.00 C ATOM 1613 O GLN A 110 16.546 -10.571 4.745 1.00 0.00 O ATOM 1614 CB GLN A 110 18.048 -10.090 1.717 1.00 0.00 C ATOM 1615 CG GLN A 110 19.181 -11.018 2.226 1.00 0.00 C ATOM 1616 CD GLN A 110 18.912 -12.432 1.720 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.239 -13.231 2.332 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.405 -12.810 0.590 1.00 0.00 N ATOM 0 H GLN A 110 15.913 -9.991 0.435 1.00 0.00 H new ATOM 0 HA GLN A 110 16.626 -11.567 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.979 -10.153 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.281 -9.054 1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 110 20.149 -10.665 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.220 -11.006 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.978 -12.167 0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.222 -13.752 0.243 1.00 0.00 H new ATOM 1627 N GLN A 111 16.355 -8.556 3.803 1.00 0.00 N ATOM 1628 CA GLN A 111 16.186 -7.823 5.111 1.00 0.00 C ATOM 1629 C GLN A 111 14.667 -7.653 5.370 1.00 0.00 C ATOM 1630 O GLN A 111 14.220 -7.560 6.498 1.00 0.00 O ATOM 1631 CB GLN A 111 16.905 -6.416 5.026 1.00 0.00 C ATOM 1632 CG GLN A 111 18.478 -6.582 4.994 1.00 0.00 C ATOM 1633 CD GLN A 111 19.246 -5.242 4.939 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.563 -4.617 5.929 1.00 0.00 O ATOM 1635 NE2 GLN A 111 19.582 -4.736 3.796 1.00 0.00 N ATOM 0 H GLN A 111 16.328 -7.958 2.977 1.00 0.00 H new ATOM 0 HA GLN A 111 16.636 -8.382 5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.574 -5.888 4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.618 -5.805 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.794 -7.135 5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.753 -7.183 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.340 -5.221 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 111 20.089 -3.852 3.759 1.00 0.00 H new ATOM 1644 N GLY A 112 13.923 -7.604 4.295 1.00 0.00 N ATOM 1645 CA GLY A 112 12.429 -7.453 4.352 1.00 0.00 C ATOM 1646 C GLY A 112 11.950 -6.081 3.899 1.00 0.00 C ATOM 1647 O GLY A 112 10.854 -5.682 4.237 1.00 0.00 O ATOM 0 H GLY A 112 14.298 -7.664 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.968 -8.217 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.090 -7.631 5.373 1.00 0.00 H new ATOM 1651 N HIS A 113 12.765 -5.399 3.143 1.00 0.00 N ATOM 1652 CA HIS A 113 12.390 -4.033 2.648 1.00 0.00 C ATOM 1653 C HIS A 113 13.342 -3.577 1.540 1.00 0.00 C ATOM 1654 O HIS A 113 14.356 -4.184 1.277 1.00 0.00 O ATOM 1655 CB HIS A 113 12.442 -3.054 3.858 1.00 0.00 C ATOM 1656 CG HIS A 113 13.878 -2.849 4.338 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.815 -2.274 3.657 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.485 -3.200 5.530 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.908 -2.263 4.357 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.748 -2.828 5.526 1.00 0.00 N ATOM 0 H HIS A 113 13.683 -5.727 2.842 1.00 0.00 H new ATOM 0 HA HIS A 113 11.386 -4.051 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.010 -2.095 3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.835 -3.447 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.993 -3.707 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.840 -1.838 4.015 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.441 -2.952 6.264 1.00 0.00 H new ATOM 1668 N LEU A 114 13.004 -2.499 0.910 1.00 0.00 N ATOM 1669 CA LEU A 114 13.854 -1.947 -0.193 1.00 0.00 C ATOM 1670 C LEU A 114 14.042 -0.420 0.024 1.00 0.00 C ATOM 1671 O LEU A 114 13.312 0.192 0.787 1.00 0.00 O ATOM 1672 CB LEU A 114 13.091 -2.372 -1.486 1.00 0.00 C ATOM 1673 CG LEU A 114 13.683 -1.866 -2.822 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.170 -2.229 -2.993 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.970 -2.621 -3.958 1.00 0.00 C ATOM 0 H LEU A 114 12.161 -1.959 1.108 1.00 0.00 H new ATOM 0 HA LEU A 114 14.877 -2.321 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.051 -3.461 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.063 -2.018 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 114 13.560 -0.783 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.530 -1.848 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.749 -1.784 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.285 -3.313 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.363 -2.289 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.141 -3.692 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.900 -2.418 -3.914 1.00 0.00 H new ATOM 1687 N ASN A 115 15.007 0.161 -0.633 1.00 0.00 N ATOM 1688 CA ASN A 115 15.250 1.626 -0.481 1.00 0.00 C ATOM 1689 C ASN A 115 14.773 2.168 -1.841 1.00 0.00 C ATOM 1690 O ASN A 115 15.382 1.989 -2.885 1.00 0.00 O ATOM 1691 CB ASN A 115 16.778 1.823 -0.183 1.00 0.00 C ATOM 1692 CG ASN A 115 17.126 3.306 -0.139 1.00 0.00 C ATOM 1693 OD1 ASN A 115 17.134 3.972 -1.146 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.420 3.903 0.969 1.00 0.00 N ATOM 0 H ASN A 115 15.642 -0.317 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 115 14.738 2.141 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 115 17.032 1.355 0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.371 1.327 -0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.646 4.898 0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.426 3.380 1.844 1.00 0.00 H new ATOM 1701 N VAL A 116 13.633 2.798 -1.722 1.00 0.00 N ATOM 1702 CA VAL A 116 12.955 3.412 -2.908 1.00 0.00 C ATOM 1703 C VAL A 116 12.681 4.907 -2.699 1.00 0.00 C ATOM 1704 O VAL A 116 12.852 5.455 -1.625 1.00 0.00 O ATOM 1705 CB VAL A 116 11.563 2.712 -3.195 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.625 1.190 -2.992 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.396 3.284 -2.310 1.00 0.00 C ATOM 0 H VAL A 116 13.134 2.916 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 116 13.635 3.274 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 116 11.352 2.933 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.648 0.755 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.364 0.762 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.907 0.971 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.468 2.765 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.631 3.134 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.278 4.349 -2.508 1.00 0.00 H new ATOM 1717 N ASN A 117 12.248 5.483 -3.789 1.00 0.00 N ATOM 1718 CA ASN A 117 11.877 6.921 -3.909 1.00 0.00 C ATOM 1719 C ASN A 117 10.437 6.913 -4.473 1.00 0.00 C ATOM 1720 O ASN A 117 10.215 6.317 -5.516 1.00 0.00 O ATOM 1721 CB ASN A 117 12.898 7.547 -4.852 1.00 0.00 C ATOM 1722 CG ASN A 117 14.162 7.731 -4.059 1.00 0.00 C ATOM 1723 OD1 ASN A 117 14.360 8.752 -3.454 1.00 0.00 O ATOM 1724 ND2 ASN A 117 15.052 6.805 -3.999 1.00 0.00 N ATOM 0 H ASN A 117 12.130 4.971 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 117 11.890 7.495 -2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.073 6.905 -5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.538 8.502 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.899 6.947 -3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.911 5.929 -4.502 1.00 0.00 H new ATOM 1731 N TYR A 118 9.507 7.553 -3.795 1.00 0.00 N ATOM 1732 CA TYR A 118 8.103 7.552 -4.322 1.00 0.00 C ATOM 1733 C TYR A 118 7.375 8.912 -4.197 1.00 0.00 C ATOM 1734 O TYR A 118 7.475 9.655 -3.231 1.00 0.00 O ATOM 1735 CB TYR A 118 7.334 6.396 -3.576 1.00 0.00 C ATOM 1736 CG TYR A 118 6.915 6.708 -2.120 1.00 0.00 C ATOM 1737 CD1 TYR A 118 6.048 7.742 -1.813 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.414 5.950 -1.081 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.695 8.013 -0.506 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.058 6.225 0.226 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.201 7.254 0.520 1.00 0.00 C ATOM 1742 OH TYR A 118 5.827 7.564 1.809 1.00 0.00 O ATOM 0 H TYR A 118 9.654 8.062 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 118 8.129 7.379 -5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 118 6.440 6.150 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.965 5.507 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.641 8.347 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 118 8.089 5.134 -1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.018 8.826 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.460 5.621 1.026 1.00 0.00 H new ATOM 0 HH TYR A 118 5.282 8.378 1.805 1.00 0.00 H new ATOM 1752 N GLN A 119 6.646 9.188 -5.240 1.00 0.00 N ATOM 1753 CA GLN A 119 5.861 10.456 -5.322 1.00 0.00 C ATOM 1754 C GLN A 119 4.396 10.173 -5.747 1.00 0.00 C ATOM 1755 O GLN A 119 4.167 9.355 -6.624 1.00 0.00 O ATOM 1756 CB GLN A 119 6.585 11.401 -6.363 1.00 0.00 C ATOM 1757 CG GLN A 119 7.906 10.784 -7.023 1.00 0.00 C ATOM 1758 CD GLN A 119 9.115 10.655 -6.060 1.00 0.00 C ATOM 1759 OE1 GLN A 119 10.111 10.031 -6.359 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.109 11.212 -4.892 1.00 0.00 N ATOM 0 H GLN A 119 6.558 8.580 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 119 5.817 10.939 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.881 11.650 -7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.847 12.334 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.669 9.797 -7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.198 11.407 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.297 11.749 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.916 11.114 -4.276 1.00 0.00 H new ATOM 1769 N PHE A 120 3.440 10.829 -5.137 1.00 0.00 N ATOM 1770 CA PHE A 120 2.013 10.569 -5.549 1.00 0.00 C ATOM 1771 C PHE A 120 1.873 11.143 -6.982 1.00 0.00 C ATOM 1772 O PHE A 120 2.317 12.241 -7.262 1.00 0.00 O ATOM 1773 CB PHE A 120 1.058 11.280 -4.544 1.00 0.00 C ATOM 1774 CG PHE A 120 0.806 10.400 -3.291 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.841 9.885 -2.525 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.493 10.106 -2.915 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.569 9.096 -1.416 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.760 9.323 -1.814 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.266 8.814 -1.059 1.00 0.00 C ATOM 0 H PHE A 120 3.572 11.514 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 120 1.755 9.510 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.490 12.234 -4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.109 11.501 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.865 10.099 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.314 10.499 -3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.383 8.700 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.783 9.108 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.057 8.200 -0.196 1.00 0.00 H new ATOM 1789 N VAL A 121 1.258 10.398 -7.861 1.00 0.00 N ATOM 1790 CA VAL A 121 1.096 10.875 -9.277 1.00 0.00 C ATOM 1791 C VAL A 121 -0.322 10.659 -9.825 1.00 0.00 C ATOM 1792 O VAL A 121 -0.879 9.582 -9.731 1.00 0.00 O ATOM 1793 CB VAL A 121 2.222 10.117 -10.097 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.684 9.226 -11.239 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.181 11.126 -10.748 1.00 0.00 C ATOM 0 H VAL A 121 0.859 9.480 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 121 1.218 11.955 -9.356 1.00 0.00 H new ATOM 0 HB VAL A 121 2.716 9.482 -9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.519 8.744 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.023 8.464 -10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.131 9.840 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.948 10.590 -11.307 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.624 11.773 -11.425 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.653 11.731 -9.974 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.904 11.677 -10.385 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.267 11.441 -10.912 1.00 0.00 C ATOM 1807 C ASP A 122 -2.190 10.976 -12.384 1.00 0.00 C ATOM 1808 O ASP A 122 -1.684 11.668 -13.249 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.067 12.732 -10.784 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.514 12.329 -11.059 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -5.028 11.562 -10.256 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.027 12.798 -12.053 1.00 0.00 O ATOM 0 H ASP A 122 -0.519 12.615 -10.497 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.763 10.656 -10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.960 13.166 -9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.724 13.481 -11.497 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.693 9.796 -12.642 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.642 9.311 -14.067 1.00 0.00 C ATOM 1819 C CYS A 123 -3.633 10.068 -14.954 1.00 0.00 C ATOM 1820 O CYS A 123 -3.529 10.064 -16.164 1.00 0.00 O ATOM 1821 CB CYS A 123 -2.978 7.821 -14.141 1.00 0.00 C ATOM 1822 SG CYS A 123 -1.625 6.671 -13.802 1.00 0.00 S ATOM 0 H CYS A 123 -3.121 9.165 -11.964 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.628 9.488 -14.425 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -3.784 7.618 -13.435 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.365 7.608 -15.137 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.558 10.695 -14.276 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.657 11.506 -14.888 1.00 0.00 C ATOM 1829 C ARG A 124 -6.293 10.749 -16.082 1.00 0.00 C ATOM 1830 O ARG A 124 -6.157 11.139 -17.229 1.00 0.00 O ATOM 1831 CB ARG A 124 -5.015 12.853 -15.293 1.00 0.00 C ATOM 1832 CG ARG A 124 -6.127 13.910 -15.394 1.00 0.00 C ATOM 1833 CD ARG A 124 -5.590 15.221 -15.949 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.196 14.950 -17.373 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.204 15.533 -17.919 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -4.412 16.677 -18.437 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.075 14.952 -17.918 1.00 0.00 N ATOM 0 H ARG A 124 -4.597 10.675 -13.257 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.479 11.683 -14.195 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.271 13.155 -14.556 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -4.497 12.755 -16.247 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.927 13.540 -16.036 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.562 14.080 -14.409 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -6.347 16.003 -15.898 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.735 15.567 -15.369 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.738 14.280 -17.918 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -5.344 17.090 -18.404 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.647 17.181 -18.885 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.974 14.034 -17.485 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -2.269 15.403 -18.350 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.961 9.693 -15.684 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.664 8.785 -16.635 1.00 0.00 C ATOM 1853 C ASP A 125 -8.778 9.542 -17.409 1.00 0.00 C ATOM 1854 O ASP A 125 -8.468 9.923 -18.532 1.00 0.00 O ATOM 1855 CB ASP A 125 -8.173 7.605 -15.726 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.738 6.447 -16.530 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -9.894 6.443 -16.899 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.939 5.558 -16.750 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.854 9.712 -16.854 1.00 0.00 O ATOM 0 H ASP A 125 -7.048 9.418 -14.706 1.00 0.00 H new ATOM 0 HA ASP A 125 -7.030 8.399 -17.433 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.349 7.246 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.940 7.979 -15.048 1.00 0.00 H new