USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=30 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 111 GLN : amide:sc= -0.89 K(o=-1.7,f=-3.7) USER MOD Set 1.2: A 113 HIS : no HE2:sc= -0.856! C(o=-1.7!,f=-4.9!) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.167 USER MOD Set 2.2: A 104 THR OG1 : rot 160:sc= -1.25 USER MOD Set 2.3: A 105 ASN : amide:sc= 0.482 K(o=-0.6,f=-5!) USER MOD Set 3.1: A 11 HIS : no HD1:sc= -1.94 X(o=-9,f=-9.1) USER MOD Set 3.2: A 88 ASN :FLIP amide:sc= -7.05! C(o=-13!,f=-9!) USER MOD Single : A 1 GLU N :NH3+ 177:sc= -1.33 (180deg=-1.49) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 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= 0.839 K(o=0.84,f=-7.4!) USER MOD Single : A 18 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.23) USER MOD Single : A 19 ASN :FLIP amide:sc= 0.448 F(o=-0.49,f=0.45) USER MOD Single : A 28 SER OG : rot 57:sc= 0.201 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -102:sc= 0.498 USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0626) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00281 USER MOD Single : A 44 SER OG : rot -86:sc= 1.07 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= -0.318 (180deg=-2.66!) USER MOD Single : A 46 TYR OH : rot -157:sc= 1.21 USER MOD Single : A 49 THR OG1 : rot 130:sc= -1.61! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.132 (180deg=-0.925) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.614 USER MOD Single : A 71 ASN : amide:sc= -0.086 K(o=-0.086,f=-3.6!) USER MOD Single : A 77 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.88) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0.398 USER MOD Single : A 85 GLN :FLIP amide:sc= -2.1 F(o=-3.3!,f=-2.1) USER MOD Single : A 97 THR OG1 : rot -176:sc= -1.78 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -136:sc= -0.0835 (180deg=-0.653) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0441 K(o=-0.044,f=-1.1) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.214 F(o=-4.7!,f=-0.21) USER MOD Single : A 117 ASN : amide:sc= -1.77 K(o=-1.8,f=-12!) USER MOD Single : A 118 TYR OH : rot -147:sc= 1.19 USER MOD Single : A 119 GLN : amide:sc= -2.93 K(o=-2.9,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.531 12.459 1.107 1.00 0.00 N ATOM 2 CA GLU A 1 1.522 12.511 -0.389 1.00 0.00 C ATOM 3 C GLU A 1 2.917 12.598 -1.065 1.00 0.00 C ATOM 4 O GLU A 1 3.090 12.145 -2.182 1.00 0.00 O ATOM 5 CB GLU A 1 0.651 13.701 -0.800 1.00 0.00 C ATOM 6 CG GLU A 1 1.099 15.045 -0.136 1.00 0.00 C ATOM 7 CD GLU A 1 -0.036 16.035 -0.306 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.042 15.723 0.303 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.148 17.012 -1.015 1.00 0.00 O ATOM 0 H1 GLU A 1 0.553 12.454 1.460 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.017 11.595 1.421 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.029 13.292 1.480 1.00 0.00 H new ATOM 0 HA GLU A 1 1.122 11.560 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.682 13.810 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.385 13.496 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.323 14.895 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.009 15.420 -0.605 1.00 0.00 H new ATOM 18 N GLN A 2 3.877 13.193 -0.402 1.00 0.00 N ATOM 19 CA GLN A 2 5.254 13.311 -0.990 1.00 0.00 C ATOM 20 C GLN A 2 6.371 12.851 -0.015 1.00 0.00 C ATOM 21 O GLN A 2 6.761 13.626 0.837 1.00 0.00 O ATOM 22 CB GLN A 2 5.459 14.792 -1.395 1.00 0.00 C ATOM 23 CG GLN A 2 4.509 15.156 -2.577 1.00 0.00 C ATOM 24 CD GLN A 2 4.676 16.629 -2.951 1.00 0.00 C ATOM 25 OE1 GLN A 2 4.298 17.526 -2.231 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.238 16.954 -4.070 1.00 0.00 N ATOM 0 H GLN A 2 3.769 13.605 0.525 1.00 0.00 H new ATOM 0 HA GLN A 2 5.328 12.649 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.259 15.442 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.496 14.958 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.731 14.527 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.474 14.959 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.570 16.227 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.349 17.937 -4.318 1.00 0.00 H new ATOM 35 N ALA A 3 6.847 11.631 -0.143 1.00 0.00 N ATOM 36 CA ALA A 3 7.933 11.149 0.780 1.00 0.00 C ATOM 37 C ALA A 3 9.059 10.394 0.031 1.00 0.00 C ATOM 38 O ALA A 3 8.882 9.877 -1.064 1.00 0.00 O ATOM 39 CB ALA A 3 7.285 10.245 1.837 1.00 0.00 C ATOM 0 H ALA A 3 6.535 10.954 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 3 8.409 12.012 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.050 9.880 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.540 10.813 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.803 9.399 1.346 1.00 0.00 H new ATOM 45 N ASN A 4 10.190 10.368 0.674 1.00 0.00 N ATOM 46 CA ASN A 4 11.403 9.692 0.121 1.00 0.00 C ATOM 47 C ASN A 4 12.096 8.800 1.151 1.00 0.00 C ATOM 48 O ASN A 4 11.658 8.692 2.278 1.00 0.00 O ATOM 49 CB ASN A 4 12.372 10.806 -0.410 1.00 0.00 C ATOM 50 CG ASN A 4 11.950 12.178 0.097 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.326 12.680 1.130 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.122 12.854 -0.623 1.00 0.00 N ATOM 0 H ASN A 4 10.332 10.799 1.587 1.00 0.00 H new ATOM 0 HA ASN A 4 11.105 9.027 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.391 10.592 -0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.375 10.802 -1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.810 13.774 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.779 12.469 -1.503 1.00 0.00 H new ATOM 59 N ASP A 5 13.161 8.207 0.693 1.00 0.00 N ATOM 60 CA ASP A 5 14.026 7.282 1.487 1.00 0.00 C ATOM 61 C ASP A 5 13.254 6.434 2.506 1.00 0.00 C ATOM 62 O ASP A 5 13.511 6.459 3.692 1.00 0.00 O ATOM 63 CB ASP A 5 15.096 8.188 2.146 1.00 0.00 C ATOM 64 CG ASP A 5 16.001 8.715 1.051 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.777 7.903 0.577 1.00 0.00 O ATOM 66 OD2 ASP A 5 15.849 9.885 0.751 1.00 0.00 O ATOM 0 H ASP A 5 13.489 8.335 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 5 14.478 6.529 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.622 9.013 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.673 7.625 2.879 1.00 0.00 H new ATOM 71 N VAL A 6 12.318 5.681 2.002 1.00 0.00 N ATOM 72 CA VAL A 6 11.526 4.827 2.945 1.00 0.00 C ATOM 73 C VAL A 6 11.850 3.355 2.754 1.00 0.00 C ATOM 74 O VAL A 6 11.988 2.893 1.633 1.00 0.00 O ATOM 75 CB VAL A 6 10.022 5.056 2.696 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.162 4.424 3.812 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.748 6.548 2.664 1.00 0.00 C ATOM 0 H VAL A 6 12.068 5.615 1.015 1.00 0.00 H new ATOM 0 HA VAL A 6 11.787 5.106 3.966 1.00 0.00 H new ATOM 0 HB VAL A 6 9.760 4.588 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.107 4.604 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.346 3.350 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.425 4.871 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.686 6.719 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.034 6.991 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.327 7.007 1.863 1.00 0.00 H new ATOM 87 N ARG A 7 11.951 2.676 3.870 1.00 0.00 N ATOM 88 CA ARG A 7 12.258 1.213 3.856 1.00 0.00 C ATOM 89 C ARG A 7 10.886 0.573 3.653 1.00 0.00 C ATOM 90 O ARG A 7 10.017 0.657 4.501 1.00 0.00 O ATOM 91 CB ARG A 7 12.836 0.768 5.203 1.00 0.00 C ATOM 92 CG ARG A 7 14.281 1.272 5.420 1.00 0.00 C ATOM 93 CD ARG A 7 14.691 0.829 6.829 1.00 0.00 C ATOM 94 NE ARG A 7 14.690 -0.680 6.845 1.00 0.00 N ATOM 95 CZ ARG A 7 15.608 -1.369 7.399 1.00 0.00 C ATOM 96 NH1 ARG A 7 15.755 -1.206 8.648 1.00 0.00 N ATOM 97 NH2 ARG A 7 16.312 -2.166 6.701 1.00 0.00 N ATOM 0 H ARG A 7 11.832 3.078 4.800 1.00 0.00 H new ATOM 0 HA ARG A 7 12.989 0.942 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.201 1.138 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.821 -0.320 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.954 0.854 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.332 2.357 5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.679 1.215 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.997 1.221 7.572 1.00 0.00 H new ATOM 0 HE ARG A 7 13.919 -1.171 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.155 -0.552 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.473 -1.729 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.142 -2.253 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.047 -2.718 7.143 1.00 0.00 H new ATOM 111 N ALA A 8 10.706 -0.059 2.537 1.00 0.00 N ATOM 112 CA ALA A 8 9.400 -0.705 2.246 1.00 0.00 C ATOM 113 C ALA A 8 9.546 -2.222 2.195 1.00 0.00 C ATOM 114 O ALA A 8 10.505 -2.755 1.663 1.00 0.00 O ATOM 115 CB ALA A 8 8.896 -0.135 0.895 1.00 0.00 C ATOM 0 H ALA A 8 11.410 -0.159 1.806 1.00 0.00 H new ATOM 0 HA ALA A 8 8.678 -0.491 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.936 -0.586 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.779 0.946 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.619 -0.363 0.112 1.00 0.00 H new ATOM 121 N THR A 9 8.585 -2.892 2.752 1.00 0.00 N ATOM 122 CA THR A 9 8.639 -4.381 2.739 1.00 0.00 C ATOM 123 C THR A 9 7.602 -4.689 1.649 1.00 0.00 C ATOM 124 O THR A 9 7.564 -3.974 0.664 1.00 0.00 O ATOM 125 CB THR A 9 8.231 -4.951 4.134 1.00 0.00 C ATOM 126 OG1 THR A 9 6.881 -4.582 4.321 1.00 0.00 O ATOM 127 CG2 THR A 9 8.868 -4.181 5.289 1.00 0.00 C ATOM 0 H THR A 9 7.771 -2.484 3.212 1.00 0.00 H new ATOM 0 HA THR A 9 9.619 -4.818 2.545 1.00 0.00 H new ATOM 0 HB THR A 9 8.491 -6.010 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.567 -4.917 5.187 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.552 -4.618 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.954 -4.237 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.554 -3.138 5.248 1.00 0.00 H new ATOM 135 N TYR A 10 6.791 -5.691 1.785 1.00 0.00 N ATOM 136 CA TYR A 10 5.784 -5.987 0.712 1.00 0.00 C ATOM 137 C TYR A 10 4.512 -6.696 1.212 1.00 0.00 C ATOM 138 O TYR A 10 4.325 -7.891 1.065 1.00 0.00 O ATOM 139 CB TYR A 10 6.545 -6.795 -0.371 1.00 0.00 C ATOM 140 CG TYR A 10 7.335 -7.961 0.211 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.103 -8.461 1.477 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.311 -8.535 -0.566 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.828 -9.508 1.951 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.042 -9.590 -0.090 1.00 0.00 C ATOM 145 CZ TYR A 10 8.795 -10.079 1.185 1.00 0.00 C ATOM 146 OH TYR A 10 9.465 -11.127 1.765 1.00 0.00 O ATOM 0 H TYR A 10 6.773 -6.323 2.586 1.00 0.00 H new ATOM 0 HA TYR A 10 5.386 -5.057 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.832 -7.174 -1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.225 -6.130 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.338 -8.016 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.503 -8.152 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.635 -9.889 2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.808 -10.040 -0.704 1.00 0.00 H new ATOM 0 HH TYR A 10 10.137 -11.471 1.140 1.00 0.00 H new ATOM 156 N HIS A 11 3.648 -5.924 1.812 1.00 0.00 N ATOM 157 CA HIS A 11 2.377 -6.491 2.332 1.00 0.00 C ATOM 158 C HIS A 11 1.374 -6.175 1.209 1.00 0.00 C ATOM 159 O HIS A 11 0.709 -5.149 1.140 1.00 0.00 O ATOM 160 CB HIS A 11 2.001 -5.794 3.636 1.00 0.00 C ATOM 161 CG HIS A 11 0.784 -6.506 4.226 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.740 -7.114 5.365 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.486 -6.652 3.705 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.451 -7.599 5.546 1.00 0.00 C ATOM 165 NE2 HIS A 11 -1.245 -7.334 4.537 1.00 0.00 N ATOM 0 H HIS A 11 3.770 -4.923 1.964 1.00 0.00 H new ATOM 0 HA HIS A 11 2.421 -7.556 2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.835 -5.824 4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.775 -4.743 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.811 -6.263 2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.751 -8.154 6.422 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.224 -7.596 4.423 1.00 0.00 H new ATOM 173 N TYR A 12 1.368 -7.157 0.352 1.00 0.00 N ATOM 174 CA TYR A 12 0.502 -7.151 -0.846 1.00 0.00 C ATOM 175 C TYR A 12 -0.756 -8.020 -0.667 1.00 0.00 C ATOM 176 O TYR A 12 -0.771 -9.040 0.011 1.00 0.00 O ATOM 177 CB TYR A 12 1.405 -7.631 -2.031 1.00 0.00 C ATOM 178 CG TYR A 12 2.061 -8.976 -1.649 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.368 -10.173 -1.655 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.383 -8.986 -1.263 1.00 0.00 C ATOM 181 CE1 TYR A 12 1.995 -11.350 -1.281 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.012 -10.158 -0.887 1.00 0.00 C ATOM 183 CZ TYR A 12 3.317 -11.346 -0.897 1.00 0.00 C ATOM 184 OH TYR A 12 3.931 -12.527 -0.540 1.00 0.00 O ATOM 0 H TYR A 12 1.950 -7.990 0.442 1.00 0.00 H new ATOM 0 HA TYR A 12 0.108 -6.153 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.809 -7.746 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.171 -6.886 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.330 -10.190 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.939 -8.060 -1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.443 -12.278 -1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.049 -10.142 -0.585 1.00 0.00 H new ATOM 0 HH TYR A 12 4.864 -12.350 -0.297 1.00 0.00 H new ATOM 194 N TYR A 13 -1.789 -7.560 -1.312 1.00 0.00 N ATOM 195 CA TYR A 13 -3.094 -8.267 -1.272 1.00 0.00 C ATOM 196 C TYR A 13 -2.871 -8.934 -2.622 1.00 0.00 C ATOM 197 O TYR A 13 -2.469 -8.209 -3.545 1.00 0.00 O ATOM 198 CB TYR A 13 -4.388 -7.369 -1.370 1.00 0.00 C ATOM 199 CG TYR A 13 -4.928 -6.813 -0.031 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.137 -6.125 0.867 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.274 -6.990 0.279 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.690 -5.630 2.046 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.819 -6.495 1.455 1.00 0.00 C ATOM 204 CZ TYR A 13 -6.027 -5.813 2.345 1.00 0.00 C ATOM 205 OH TYR A 13 -6.555 -5.323 3.525 1.00 0.00 O ATOM 0 H TYR A 13 -1.782 -6.709 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.286 -8.834 -0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.174 -6.528 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.177 -7.953 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.089 -5.970 0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.908 -7.525 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.061 -5.092 2.740 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.866 -6.646 1.670 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.509 -5.541 3.572 1.00 0.00 H new ATOM 215 N ARG A 14 -3.164 -10.223 -2.414 1.00 0.00 N ATOM 216 CA ARG A 14 -3.202 -11.544 -3.169 1.00 0.00 C ATOM 217 C ARG A 14 -3.053 -11.740 -4.687 1.00 0.00 C ATOM 218 O ARG A 14 -2.129 -12.437 -5.056 1.00 0.00 O ATOM 219 CB ARG A 14 -4.552 -12.284 -2.648 1.00 0.00 C ATOM 220 CG ARG A 14 -4.223 -13.654 -1.941 1.00 0.00 C ATOM 221 CD ARG A 14 -3.691 -14.710 -2.921 1.00 0.00 C ATOM 222 NE ARG A 14 -3.681 -15.977 -2.113 1.00 0.00 N ATOM 223 CZ ARG A 14 -2.728 -16.831 -2.111 1.00 0.00 C ATOM 224 NH1 ARG A 14 -1.707 -16.650 -1.388 1.00 0.00 N ATOM 225 NH2 ARG A 14 -2.880 -17.842 -2.853 1.00 0.00 N ATOM 0 H ARG A 14 -3.462 -10.441 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.215 -11.941 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.080 -11.632 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.221 -12.460 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.485 -13.486 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.122 -14.034 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.332 -14.800 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.693 -14.456 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.491 -16.170 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.639 -15.819 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.951 -17.335 -1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.728 -17.942 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.155 -18.558 -2.894 1.00 0.00 H new ATOM 239 N PRO A 15 -3.888 -11.198 -5.533 1.00 0.00 N ATOM 240 CA PRO A 15 -5.180 -10.534 -5.209 1.00 0.00 C ATOM 241 C PRO A 15 -6.420 -11.427 -5.577 1.00 0.00 C ATOM 242 O PRO A 15 -7.167 -11.959 -4.766 1.00 0.00 O ATOM 243 CB PRO A 15 -4.988 -9.280 -6.010 1.00 0.00 C ATOM 244 CG PRO A 15 -4.272 -9.779 -7.386 1.00 0.00 C ATOM 245 CD PRO A 15 -3.600 -11.138 -6.998 1.00 0.00 C ATOM 0 HA PRO A 15 -5.401 -10.344 -4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.940 -8.790 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.366 -8.560 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.998 -9.909 -8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.535 -9.056 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.034 -11.980 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.530 -11.142 -7.207 1.00 0.00 H new ATOM 253 N ALA A 16 -6.544 -11.506 -6.873 1.00 0.00 N ATOM 254 CA ALA A 16 -7.547 -12.228 -7.695 1.00 0.00 C ATOM 255 C ALA A 16 -8.283 -13.427 -7.038 1.00 0.00 C ATOM 256 O ALA A 16 -9.343 -13.774 -7.514 1.00 0.00 O ATOM 257 CB ALA A 16 -6.749 -12.601 -8.995 1.00 0.00 C ATOM 0 H ALA A 16 -5.879 -11.018 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.412 -11.590 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.401 -13.143 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.393 -11.691 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.897 -13.228 -8.732 1.00 0.00 H new ATOM 263 N GLN A 17 -7.713 -14.015 -6.005 1.00 0.00 N ATOM 264 CA GLN A 17 -8.303 -15.186 -5.243 1.00 0.00 C ATOM 265 C GLN A 17 -9.818 -14.869 -5.170 1.00 0.00 C ATOM 266 O GLN A 17 -10.640 -15.669 -5.565 1.00 0.00 O ATOM 267 CB GLN A 17 -7.600 -15.229 -3.850 1.00 0.00 C ATOM 268 CG GLN A 17 -7.655 -16.664 -3.211 1.00 0.00 C ATOM 269 CD GLN A 17 -6.634 -17.631 -3.840 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.432 -17.472 -3.785 1.00 0.00 O ATOM 271 NE2 GLN A 17 -7.049 -18.683 -4.461 1.00 0.00 N ATOM 0 H GLN A 17 -6.811 -13.715 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.160 -16.168 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.561 -14.919 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.078 -14.514 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.467 -16.588 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.658 -17.073 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.049 -18.868 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.377 -19.330 -4.874 1.00 0.00 H new ATOM 280 N ASN A 18 -10.134 -13.696 -4.663 1.00 0.00 N ATOM 281 CA ASN A 18 -11.571 -13.271 -4.568 1.00 0.00 C ATOM 282 C ASN A 18 -11.614 -12.005 -5.460 1.00 0.00 C ATOM 283 O ASN A 18 -11.993 -10.945 -5.012 1.00 0.00 O ATOM 284 CB ASN A 18 -11.897 -12.914 -3.132 1.00 0.00 C ATOM 285 CG ASN A 18 -13.419 -12.875 -2.972 1.00 0.00 C ATOM 286 OD1 ASN A 18 -14.056 -11.870 -2.766 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.093 -13.968 -3.071 1.00 0.00 N ATOM 0 H ASN A 18 -9.459 -13.016 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.282 -14.038 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.464 -13.648 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.465 -11.947 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.108 -13.951 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.611 -14.850 -3.245 1.00 0.00 H new ATOM 294 N ASN A 19 -11.219 -12.160 -6.701 1.00 0.00 N ATOM 295 CA ASN A 19 -11.186 -11.019 -7.692 1.00 0.00 C ATOM 296 C ASN A 19 -10.630 -9.779 -6.932 1.00 0.00 C ATOM 297 O ASN A 19 -11.195 -8.702 -6.929 1.00 0.00 O ATOM 298 CB ASN A 19 -12.638 -10.822 -8.192 1.00 0.00 C ATOM 299 CG ASN A 19 -12.694 -9.876 -9.392 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.861 -10.374 -10.575 1.00 0.00 O flip ATOM 301 ND2 ASN A 19 -12.586 -8.675 -9.300 1.00 0.00 N flip ATOM 0 H ASN A 19 -10.908 -13.052 -7.085 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.550 -11.197 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.063 -11.787 -8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.251 -10.423 -7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.453 -8.243 -8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.628 -8.094 -10.137 1.00 0.00 H new ATOM 308 N TRP A 20 -9.492 -10.011 -6.306 1.00 0.00 N ATOM 309 CA TRP A 20 -8.755 -8.997 -5.489 1.00 0.00 C ATOM 310 C TRP A 20 -9.891 -8.473 -4.574 1.00 0.00 C ATOM 311 O TRP A 20 -10.170 -7.315 -4.664 1.00 0.00 O ATOM 312 CB TRP A 20 -8.175 -7.752 -6.317 1.00 0.00 C ATOM 313 CG TRP A 20 -7.836 -7.747 -7.818 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.731 -8.064 -8.782 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.646 -7.396 -8.395 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.051 -7.896 -9.904 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.790 -7.496 -9.765 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.403 -6.964 -7.906 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.719 -7.177 -10.577 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.356 -6.654 -8.761 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.519 -6.765 -10.092 1.00 0.00 C ATOM 0 H TRP A 20 -9.025 -10.917 -6.336 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.881 -9.439 -5.011 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.891 -6.943 -6.174 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -7.257 -7.460 -5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.757 -8.379 -8.663 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.468 -8.063 -10.820 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.259 -6.871 -6.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.841 -7.259 -11.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.410 -6.324 -8.359 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.708 -6.530 -10.765 1.00 0.00 H new ATOM 332 N ASP A 21 -10.459 -9.264 -3.700 1.00 0.00 N ATOM 333 CA ASP A 21 -11.598 -8.930 -2.755 1.00 0.00 C ATOM 334 C ASP A 21 -12.011 -7.391 -2.628 1.00 0.00 C ATOM 335 O ASP A 21 -12.193 -6.804 -1.587 1.00 0.00 O ATOM 336 CB ASP A 21 -11.019 -9.605 -1.491 1.00 0.00 C ATOM 337 CG ASP A 21 -12.000 -9.766 -0.374 1.00 0.00 C ATOM 338 OD1 ASP A 21 -12.111 -8.788 0.325 1.00 0.00 O ATOM 339 OD2 ASP A 21 -12.569 -10.841 -0.291 1.00 0.00 O ATOM 0 H ASP A 21 -10.150 -10.230 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.583 -9.277 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.632 -10.587 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.174 -9.017 -1.134 1.00 0.00 H new ATOM 344 N LEU A 22 -12.173 -6.789 -3.790 1.00 0.00 N ATOM 345 CA LEU A 22 -12.550 -5.370 -4.077 1.00 0.00 C ATOM 346 C LEU A 22 -13.548 -4.838 -3.075 1.00 0.00 C ATOM 347 O LEU A 22 -13.231 -4.157 -2.115 1.00 0.00 O ATOM 348 CB LEU A 22 -13.095 -5.349 -5.598 1.00 0.00 C ATOM 349 CG LEU A 22 -12.118 -4.717 -6.675 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.944 -3.201 -6.481 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.753 -5.468 -6.767 1.00 0.00 C ATOM 0 H LEU A 22 -12.037 -7.309 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.695 -4.701 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.321 -6.373 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.034 -4.796 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.600 -4.854 -7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.267 -2.812 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.912 -2.709 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.530 -3.006 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.125 -4.991 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.251 -5.431 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.928 -6.507 -7.045 1.00 0.00 H new ATOM 363 N GLY A 23 -14.753 -5.217 -3.383 1.00 0.00 N ATOM 364 CA GLY A 23 -15.924 -4.832 -2.562 1.00 0.00 C ATOM 365 C GLY A 23 -16.431 -6.084 -1.879 1.00 0.00 C ATOM 366 O GLY A 23 -17.620 -6.323 -1.916 1.00 0.00 O ATOM 0 H GLY A 23 -14.978 -5.794 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.645 -4.079 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.703 -4.393 -3.186 1.00 0.00 H new ATOM 370 N ALA A 24 -15.569 -6.875 -1.266 1.00 0.00 N ATOM 371 CA ALA A 24 -16.124 -8.108 -0.599 1.00 0.00 C ATOM 372 C ALA A 24 -16.642 -7.645 0.805 1.00 0.00 C ATOM 373 O ALA A 24 -15.958 -6.886 1.463 1.00 0.00 O ATOM 374 CB ALA A 24 -14.997 -9.171 -0.398 1.00 0.00 C ATOM 0 H ALA A 24 -14.561 -6.734 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.912 -8.557 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.413 -10.055 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.581 -9.448 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.209 -8.752 0.229 1.00 0.00 H new ATOM 380 N PRO A 25 -17.815 -8.091 1.209 1.00 0.00 N ATOM 381 CA PRO A 25 -18.467 -7.693 2.502 1.00 0.00 C ATOM 382 C PRO A 25 -17.503 -7.544 3.714 1.00 0.00 C ATOM 383 O PRO A 25 -17.698 -6.711 4.575 1.00 0.00 O ATOM 384 CB PRO A 25 -19.557 -8.766 2.763 1.00 0.00 C ATOM 385 CG PRO A 25 -19.498 -9.759 1.564 1.00 0.00 C ATOM 386 CD PRO A 25 -18.660 -9.073 0.460 1.00 0.00 C ATOM 0 HA PRO A 25 -18.877 -6.688 2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.374 -9.284 3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.543 -8.307 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.043 -10.703 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.500 -9.989 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.049 -9.793 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -19.295 -8.576 -0.273 1.00 0.00 H new ATOM 394 N ALA A 26 -16.505 -8.384 3.735 1.00 0.00 N ATOM 395 CA ALA A 26 -15.477 -8.393 4.833 1.00 0.00 C ATOM 396 C ALA A 26 -14.299 -7.378 4.718 1.00 0.00 C ATOM 397 O ALA A 26 -13.520 -7.216 5.641 1.00 0.00 O ATOM 398 CB ALA A 26 -14.964 -9.855 4.893 1.00 0.00 C ATOM 0 H ALA A 26 -16.349 -9.090 3.016 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.959 -8.051 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.208 -9.944 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.796 -10.524 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.527 -10.127 3.932 1.00 0.00 H new ATOM 404 N VAL A 27 -14.194 -6.727 3.595 1.00 0.00 N ATOM 405 CA VAL A 27 -13.092 -5.737 3.376 1.00 0.00 C ATOM 406 C VAL A 27 -13.525 -4.398 2.793 1.00 0.00 C ATOM 407 O VAL A 27 -13.304 -3.313 3.293 1.00 0.00 O ATOM 408 CB VAL A 27 -12.103 -6.361 2.434 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.839 -5.535 2.396 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.798 -7.809 2.881 1.00 0.00 C ATOM 0 H VAL A 27 -14.831 -6.837 2.806 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.680 -5.512 4.360 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.526 -6.390 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.126 -5.993 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.073 -4.527 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.405 -5.489 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.080 -8.258 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.380 -7.799 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.718 -8.393 2.876 1.00 0.00 H new ATOM 420 N SER A 28 -14.191 -4.598 1.695 1.00 0.00 N ATOM 421 CA SER A 28 -14.767 -3.562 0.808 1.00 0.00 C ATOM 422 C SER A 28 -13.925 -2.265 0.830 1.00 0.00 C ATOM 423 O SER A 28 -14.207 -1.302 1.515 1.00 0.00 O ATOM 424 CB SER A 28 -16.270 -3.303 1.247 1.00 0.00 C ATOM 425 OG SER A 28 -16.163 -3.005 2.637 1.00 0.00 O ATOM 0 H SER A 28 -14.373 -5.540 1.349 1.00 0.00 H new ATOM 0 HA SER A 28 -14.751 -3.912 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.714 -2.476 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.896 -4.178 1.071 1.00 0.00 H new ATOM 0 HG SER A 28 -15.563 -2.240 2.762 1.00 0.00 H new ATOM 431 N ALA A 29 -12.891 -2.272 0.027 1.00 0.00 N ATOM 432 CA ALA A 29 -11.965 -1.091 -0.053 1.00 0.00 C ATOM 433 C ALA A 29 -12.622 0.230 -0.503 1.00 0.00 C ATOM 434 O ALA A 29 -13.583 0.222 -1.259 1.00 0.00 O ATOM 435 CB ALA A 29 -10.824 -1.496 -1.005 1.00 0.00 C ATOM 0 H ALA A 29 -12.643 -3.050 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.611 -0.865 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.119 -0.670 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.309 -2.369 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.236 -1.736 -1.985 1.00 0.00 H new ATOM 441 N TYR A 30 -12.059 1.317 -0.021 1.00 0.00 N ATOM 442 CA TYR A 30 -12.573 2.692 -0.359 1.00 0.00 C ATOM 443 C TYR A 30 -13.126 2.818 -1.788 1.00 0.00 C ATOM 444 O TYR A 30 -14.326 2.884 -1.995 1.00 0.00 O ATOM 445 CB TYR A 30 -11.410 3.707 -0.132 1.00 0.00 C ATOM 446 CG TYR A 30 -11.762 4.774 0.920 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.949 5.487 0.879 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.859 5.040 1.930 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.223 6.448 1.838 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.135 6.000 2.885 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.319 6.705 2.841 1.00 0.00 C ATOM 452 OH TYR A 30 -12.610 7.655 3.794 1.00 0.00 O ATOM 0 H TYR A 30 -11.252 1.311 0.603 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.421 2.902 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.517 3.168 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.169 4.196 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.665 5.292 0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.929 4.493 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.152 6.998 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.420 6.199 3.669 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.869 7.715 4.433 1.00 0.00 H new ATOM 462 N CYS A 31 -12.198 2.823 -2.712 1.00 0.00 N ATOM 463 CA CYS A 31 -12.589 2.942 -4.131 1.00 0.00 C ATOM 464 C CYS A 31 -13.300 1.686 -4.653 1.00 0.00 C ATOM 465 O CYS A 31 -13.950 1.783 -5.669 1.00 0.00 O ATOM 466 CB CYS A 31 -11.323 3.236 -4.943 1.00 0.00 C ATOM 467 SG CYS A 31 -10.339 4.693 -4.517 1.00 0.00 S ATOM 0 H CYS A 31 -11.196 2.750 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.309 3.753 -4.235 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.673 2.364 -4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.615 3.328 -5.989 1.00 0.00 H new ATOM 472 N ALA A 32 -13.224 0.532 -4.025 1.00 0.00 N ATOM 473 CA ALA A 32 -13.947 -0.660 -4.597 1.00 0.00 C ATOM 474 C ALA A 32 -15.419 -0.293 -4.881 1.00 0.00 C ATOM 475 O ALA A 32 -15.914 -0.521 -5.964 1.00 0.00 O ATOM 476 CB ALA A 32 -13.874 -1.826 -3.596 1.00 0.00 C ATOM 0 H ALA A 32 -12.707 0.363 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.475 -0.960 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.396 -2.691 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.831 -2.085 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.343 -1.530 -2.658 1.00 0.00 H new ATOM 482 N THR A 33 -16.034 0.266 -3.867 1.00 0.00 N ATOM 483 CA THR A 33 -17.477 0.727 -3.882 1.00 0.00 C ATOM 484 C THR A 33 -17.960 1.323 -5.217 1.00 0.00 C ATOM 485 O THR A 33 -19.098 1.165 -5.614 1.00 0.00 O ATOM 486 CB THR A 33 -17.673 1.785 -2.786 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.368 1.094 -1.587 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.156 2.090 -2.538 1.00 0.00 C ATOM 0 H THR A 33 -15.572 0.434 -2.973 1.00 0.00 H new ATOM 0 HA THR A 33 -18.072 -0.171 -3.715 1.00 0.00 H new ATOM 0 HB THR A 33 -17.105 2.676 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.467 1.702 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.247 2.843 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.609 2.464 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.668 1.179 -2.226 1.00 0.00 H new ATOM 496 N TRP A 34 -17.030 2.002 -5.837 1.00 0.00 N ATOM 497 CA TRP A 34 -17.243 2.692 -7.149 1.00 0.00 C ATOM 498 C TRP A 34 -16.408 2.129 -8.350 1.00 0.00 C ATOM 499 O TRP A 34 -16.882 2.080 -9.470 1.00 0.00 O ATOM 500 CB TRP A 34 -16.957 4.201 -6.817 1.00 0.00 C ATOM 501 CG TRP A 34 -18.112 4.785 -5.961 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.437 4.747 -6.288 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.984 5.418 -4.775 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.017 5.361 -5.272 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.221 5.800 -4.313 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.860 5.702 -4.037 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.341 6.465 -3.113 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.970 6.373 -2.820 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.219 6.755 -2.360 1.00 0.00 C ATOM 0 H TRP A 34 -16.085 2.112 -5.469 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.252 2.527 -7.527 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.013 4.291 -6.279 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.853 4.771 -7.740 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.899 4.319 -7.165 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.028 5.490 -5.230 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.888 5.404 -4.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.317 6.761 -2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.086 6.594 -2.239 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.316 7.276 -1.419 1.00 0.00 H new ATOM 520 N ASP A 35 -15.191 1.706 -8.132 1.00 0.00 N ATOM 521 CA ASP A 35 -14.322 1.155 -9.216 1.00 0.00 C ATOM 522 C ASP A 35 -14.592 -0.360 -9.459 1.00 0.00 C ATOM 523 O ASP A 35 -14.454 -0.835 -10.571 1.00 0.00 O ATOM 524 CB ASP A 35 -12.838 1.449 -8.786 1.00 0.00 C ATOM 525 CG ASP A 35 -12.512 2.941 -8.596 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.427 3.729 -8.453 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.323 3.217 -8.606 1.00 0.00 O ATOM 0 H ASP A 35 -14.747 1.720 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.537 1.629 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.633 0.924 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.166 1.036 -9.539 1.00 0.00 H new ATOM 532 N ALA A 36 -14.974 -1.098 -8.441 1.00 0.00 N ATOM 533 CA ALA A 36 -15.272 -2.576 -8.565 1.00 0.00 C ATOM 534 C ALA A 36 -16.183 -2.869 -9.777 1.00 0.00 C ATOM 535 O ALA A 36 -16.204 -3.944 -10.331 1.00 0.00 O ATOM 536 CB ALA A 36 -15.951 -3.048 -7.276 1.00 0.00 C ATOM 0 H ALA A 36 -15.097 -0.731 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.336 -3.112 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.172 -4.113 -7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.286 -2.874 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.878 -2.494 -7.129 1.00 0.00 H new ATOM 542 N SER A 37 -16.917 -1.865 -10.149 1.00 0.00 N ATOM 543 CA SER A 37 -17.877 -1.913 -11.308 1.00 0.00 C ATOM 544 C SER A 37 -17.235 -1.804 -12.713 1.00 0.00 C ATOM 545 O SER A 37 -17.908 -2.004 -13.701 1.00 0.00 O ATOM 546 CB SER A 37 -18.839 -0.774 -11.168 1.00 0.00 C ATOM 547 OG SER A 37 -17.948 0.338 -11.284 1.00 0.00 O ATOM 0 H SER A 37 -16.896 -0.961 -9.678 1.00 0.00 H new ATOM 0 HA SER A 37 -18.344 -2.897 -11.258 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.601 -0.777 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.361 -0.788 -10.211 1.00 0.00 H new ATOM 0 HG SER A 37 -17.767 0.706 -10.394 1.00 0.00 H new ATOM 553 N LYS A 38 -15.972 -1.468 -12.793 1.00 0.00 N ATOM 554 CA LYS A 38 -15.293 -1.348 -14.127 1.00 0.00 C ATOM 555 C LYS A 38 -14.665 -2.687 -14.561 1.00 0.00 C ATOM 556 O LYS A 38 -14.158 -3.419 -13.730 1.00 0.00 O ATOM 557 CB LYS A 38 -14.185 -0.275 -14.053 1.00 0.00 C ATOM 558 CG LYS A 38 -14.698 1.195 -14.079 1.00 0.00 C ATOM 559 CD LYS A 38 -15.715 1.422 -12.924 1.00 0.00 C ATOM 560 CE LYS A 38 -15.904 2.893 -12.555 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.391 3.635 -13.771 1.00 0.00 N ATOM 0 H LYS A 38 -15.376 -1.270 -11.989 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.047 -1.064 -14.861 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.610 -0.428 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.501 -0.421 -14.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.859 1.884 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.170 1.407 -15.038 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.679 1.002 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.379 0.875 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.622 2.989 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.964 3.319 -12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.669 4.600 -13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.630 3.679 -14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.211 3.139 -14.175 1.00 0.00 H new ATOM 575 N PRO A 39 -14.683 -2.981 -15.839 1.00 0.00 N ATOM 576 CA PRO A 39 -14.094 -4.251 -16.360 1.00 0.00 C ATOM 577 C PRO A 39 -12.671 -4.624 -15.834 1.00 0.00 C ATOM 578 O PRO A 39 -11.858 -3.804 -15.433 1.00 0.00 O ATOM 579 CB PRO A 39 -14.176 -4.053 -17.903 1.00 0.00 C ATOM 580 CG PRO A 39 -14.239 -2.502 -18.058 1.00 0.00 C ATOM 581 CD PRO A 39 -15.231 -2.136 -16.945 1.00 0.00 C ATOM 0 HA PRO A 39 -14.641 -5.122 -16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.308 -4.474 -18.410 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.057 -4.536 -18.325 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.266 -2.033 -17.913 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.595 -2.200 -19.043 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.218 -1.073 -16.706 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.259 -2.393 -17.199 1.00 0.00 H new ATOM 589 N LEU A 40 -12.401 -5.905 -15.861 1.00 0.00 N ATOM 590 CA LEU A 40 -11.087 -6.417 -15.392 1.00 0.00 C ATOM 591 C LEU A 40 -9.930 -5.818 -16.201 1.00 0.00 C ATOM 592 O LEU A 40 -8.848 -5.616 -15.689 1.00 0.00 O ATOM 593 CB LEU A 40 -11.172 -7.942 -15.507 1.00 0.00 C ATOM 594 CG LEU A 40 -11.817 -8.623 -14.261 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.929 -8.386 -13.027 1.00 0.00 C ATOM 596 CD2 LEU A 40 -13.229 -8.071 -13.956 1.00 0.00 C ATOM 0 H LEU A 40 -13.046 -6.622 -16.193 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.879 -6.125 -14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.751 -8.200 -16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.170 -8.344 -15.653 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.904 -9.686 -14.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.381 -8.862 -12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.941 -8.812 -13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.835 -7.315 -12.847 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.636 -8.576 -13.080 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.167 -7.000 -13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.881 -8.247 -14.812 1.00 0.00 H new ATOM 608 N SER A 41 -10.202 -5.564 -17.454 1.00 0.00 N ATOM 609 CA SER A 41 -9.186 -4.970 -18.373 1.00 0.00 C ATOM 610 C SER A 41 -8.590 -3.695 -17.715 1.00 0.00 C ATOM 611 O SER A 41 -7.443 -3.699 -17.318 1.00 0.00 O ATOM 612 CB SER A 41 -9.919 -4.672 -19.711 1.00 0.00 C ATOM 613 OG SER A 41 -10.451 -5.934 -20.125 1.00 0.00 O ATOM 0 H SER A 41 -11.106 -5.748 -17.889 1.00 0.00 H new ATOM 0 HA SER A 41 -8.348 -5.640 -18.567 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.710 -3.935 -19.573 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.234 -4.268 -20.456 1.00 0.00 H new ATOM 0 HG SER A 41 -10.934 -5.824 -20.971 1.00 0.00 H new ATOM 619 N TRP A 42 -9.371 -2.641 -17.598 1.00 0.00 N ATOM 620 CA TRP A 42 -8.842 -1.375 -16.964 1.00 0.00 C ATOM 621 C TRP A 42 -8.237 -1.674 -15.579 1.00 0.00 C ATOM 622 O TRP A 42 -7.103 -1.317 -15.311 1.00 0.00 O ATOM 623 CB TRP A 42 -9.998 -0.355 -16.823 1.00 0.00 C ATOM 624 CG TRP A 42 -9.526 0.959 -16.155 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.917 1.989 -16.810 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.653 1.300 -14.845 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.718 2.875 -15.860 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.126 2.557 -14.650 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.196 0.631 -13.766 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.139 3.145 -13.409 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.214 1.213 -12.511 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.686 2.472 -12.336 1.00 0.00 C ATOM 0 H TRP A 42 -10.341 -2.598 -17.909 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.059 -0.960 -17.599 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.411 -0.135 -17.808 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.801 -0.795 -16.232 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.660 2.059 -17.857 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.267 3.770 -16.052 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.611 -0.357 -13.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.722 4.132 -13.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.640 0.682 -11.673 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.700 2.933 -11.359 1.00 0.00 H new ATOM 643 N ARG A 43 -9.030 -2.322 -14.753 1.00 0.00 N ATOM 644 CA ARG A 43 -8.604 -2.697 -13.366 1.00 0.00 C ATOM 645 C ARG A 43 -7.167 -3.245 -13.328 1.00 0.00 C ATOM 646 O ARG A 43 -6.327 -2.697 -12.656 1.00 0.00 O ATOM 647 CB ARG A 43 -9.626 -3.728 -12.861 1.00 0.00 C ATOM 648 CG ARG A 43 -9.524 -3.916 -11.315 1.00 0.00 C ATOM 649 CD ARG A 43 -10.648 -4.860 -10.765 1.00 0.00 C ATOM 650 NE ARG A 43 -11.856 -4.690 -11.657 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.954 -4.123 -11.334 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.920 -2.952 -10.843 1.00 0.00 N ATOM 653 NH2 ARG A 43 -14.021 -4.777 -11.549 1.00 0.00 N ATOM 0 H ARG A 43 -9.978 -2.613 -14.991 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.587 -1.820 -12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.633 -3.405 -13.125 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.458 -4.684 -13.358 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.547 -4.330 -11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.594 -2.944 -10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.313 -5.897 -10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.893 -4.605 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.788 -5.062 -12.604 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.026 -2.480 -10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.787 -2.484 -10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.974 -5.709 -11.961 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.925 -4.371 -11.310 1.00 0.00 H new ATOM 667 N SER A 44 -6.909 -4.302 -14.043 1.00 0.00 N ATOM 668 CA SER A 44 -5.525 -4.894 -14.059 1.00 0.00 C ATOM 669 C SER A 44 -4.577 -3.981 -14.883 1.00 0.00 C ATOM 670 O SER A 44 -3.417 -3.863 -14.555 1.00 0.00 O ATOM 671 CB SER A 44 -5.597 -6.283 -14.685 1.00 0.00 C ATOM 672 OG SER A 44 -6.153 -6.045 -15.974 1.00 0.00 O ATOM 0 H SER A 44 -7.593 -4.790 -14.622 1.00 0.00 H new ATOM 0 HA SER A 44 -5.136 -4.971 -13.044 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.611 -6.743 -14.753 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.222 -6.955 -14.097 1.00 0.00 H new ATOM 0 HG SER A 44 -7.131 -6.034 -15.911 1.00 0.00 H new ATOM 678 N LYS A 45 -5.059 -3.373 -15.943 1.00 0.00 N ATOM 679 CA LYS A 45 -4.226 -2.452 -16.803 1.00 0.00 C ATOM 680 C LYS A 45 -3.440 -1.473 -15.909 1.00 0.00 C ATOM 681 O LYS A 45 -2.252 -1.285 -16.060 1.00 0.00 O ATOM 682 CB LYS A 45 -5.162 -1.674 -17.725 1.00 0.00 C ATOM 683 CG LYS A 45 -4.340 -0.917 -18.777 1.00 0.00 C ATOM 684 CD LYS A 45 -5.222 0.184 -19.406 1.00 0.00 C ATOM 685 CE LYS A 45 -5.210 1.446 -18.539 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.103 2.443 -19.197 1.00 0.00 N ATOM 0 H LYS A 45 -6.023 -3.477 -16.261 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.517 -3.032 -17.394 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.856 -2.357 -18.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.761 -0.973 -17.144 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.456 -0.475 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.989 -1.604 -19.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.860 0.420 -20.406 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.244 -0.179 -19.515 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.559 1.223 -17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.198 1.839 -18.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.533 3.235 -19.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.605 1.991 -19.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.794 2.799 -18.506 1.00 0.00 H new ATOM 700 N TYR A 46 -4.167 -0.861 -15.011 1.00 0.00 N ATOM 701 CA TYR A 46 -3.541 0.104 -14.043 1.00 0.00 C ATOM 702 C TYR A 46 -3.394 -0.611 -12.693 1.00 0.00 C ATOM 703 O TYR A 46 -3.471 -1.816 -12.599 1.00 0.00 O ATOM 704 CB TYR A 46 -4.447 1.393 -13.896 1.00 0.00 C ATOM 705 CG TYR A 46 -3.704 2.696 -14.308 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.363 2.878 -13.999 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.358 3.726 -14.970 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.701 4.046 -14.340 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.687 4.890 -15.307 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.361 5.062 -14.997 1.00 0.00 C ATOM 711 OH TYR A 46 -1.704 6.225 -15.341 1.00 0.00 O ATOM 0 H TYR A 46 -5.173 -0.985 -14.902 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.563 0.425 -14.403 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.339 1.278 -14.511 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.782 1.481 -12.863 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.826 2.095 -13.484 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.402 3.619 -15.225 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.657 4.162 -14.088 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.217 5.677 -15.823 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.356 6.949 -15.450 1.00 0.00 H new ATOM 721 N GLY A 47 -3.174 0.157 -11.667 1.00 0.00 N ATOM 722 CA GLY A 47 -3.035 -0.461 -10.314 1.00 0.00 C ATOM 723 C GLY A 47 -4.452 -0.551 -9.727 1.00 0.00 C ATOM 724 O GLY A 47 -5.330 -1.041 -10.414 1.00 0.00 O ATOM 0 H GLY A 47 -3.085 1.173 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.581 -1.449 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.389 0.142 -9.677 1.00 0.00 H new ATOM 728 N TRP A 48 -4.564 -0.057 -8.513 1.00 0.00 N ATOM 729 CA TRP A 48 -5.804 0.005 -7.649 1.00 0.00 C ATOM 730 C TRP A 48 -5.208 -0.518 -6.339 1.00 0.00 C ATOM 731 O TRP A 48 -5.782 -1.267 -5.591 1.00 0.00 O ATOM 732 CB TRP A 48 -6.899 -0.986 -8.179 1.00 0.00 C ATOM 733 CG TRP A 48 -6.557 -2.354 -7.590 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.366 -3.059 -7.718 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.421 -3.001 -6.792 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.629 -4.103 -6.975 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.786 -4.119 -6.419 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.663 -2.784 -6.248 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.250 -5.033 -5.586 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.165 -3.719 -5.368 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.455 -4.856 -5.041 1.00 0.00 C ATOM 0 H TRP A 48 -3.757 0.348 -8.038 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.294 0.977 -7.598 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.895 -0.667 -7.870 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.899 -1.020 -9.268 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.474 -2.814 -8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.956 -4.858 -6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.233 -1.903 -6.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.664 -5.909 -5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.136 -3.558 -4.924 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.865 -5.586 -4.359 1.00 0.00 H new ATOM 752 N THR A 49 -4.087 -0.039 -5.968 1.00 0.00 N ATOM 753 CA THR A 49 -3.512 -0.618 -4.744 1.00 0.00 C ATOM 754 C THR A 49 -4.015 -0.158 -3.428 1.00 0.00 C ATOM 755 O THR A 49 -4.280 1.025 -3.228 1.00 0.00 O ATOM 756 CB THR A 49 -1.988 -0.345 -4.790 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.959 1.043 -4.565 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.360 -0.232 -6.194 1.00 0.00 C ATOM 0 H THR A 49 -3.553 0.698 -6.429 1.00 0.00 H new ATOM 0 HA THR A 49 -3.814 -1.665 -4.775 1.00 0.00 H new ATOM 0 HB THR A 49 -1.510 -1.104 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.318 1.246 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.291 -0.041 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.515 -1.164 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.829 0.588 -6.737 1.00 0.00 H new ATOM 766 N ALA A 50 -4.232 -1.153 -2.573 1.00 0.00 N ATOM 767 CA ALA A 50 -4.686 -0.578 -1.218 1.00 0.00 C ATOM 768 C ALA A 50 -3.230 -0.232 -0.819 1.00 0.00 C ATOM 769 O ALA A 50 -2.403 -1.124 -0.820 1.00 0.00 O ATOM 770 CB ALA A 50 -5.207 -1.518 -0.044 1.00 0.00 C ATOM 0 H ALA A 50 -4.141 -2.161 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.526 0.108 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.474 -0.908 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.083 -2.072 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.421 -2.219 0.237 1.00 0.00 H new ATOM 776 N PHE A 51 -2.957 0.992 -0.474 1.00 0.00 N ATOM 777 CA PHE A 51 -1.579 1.423 -0.073 1.00 0.00 C ATOM 778 C PHE A 51 -1.379 1.207 1.465 1.00 0.00 C ATOM 779 O PHE A 51 -2.170 1.675 2.260 1.00 0.00 O ATOM 780 CB PHE A 51 -1.446 2.944 -0.504 1.00 0.00 C ATOM 781 CG PHE A 51 -0.815 3.108 -1.892 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.550 3.058 -2.012 1.00 0.00 C ATOM 783 CD2 PHE A 51 -1.566 3.315 -3.026 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.168 3.212 -3.236 1.00 0.00 C ATOM 785 CE2 PHE A 51 -0.951 3.473 -4.260 1.00 0.00 C ATOM 786 CZ PHE A 51 0.418 3.421 -4.369 1.00 0.00 C ATOM 0 H PHE A 51 -3.650 1.740 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.800 0.836 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.433 3.407 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.842 3.475 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.153 2.895 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.643 3.355 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.245 3.168 -3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.553 3.638 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.897 3.542 -5.329 1.00 0.00 H new ATOM 796 N CYS A 52 -0.326 0.527 1.841 1.00 0.00 N ATOM 797 CA CYS A 52 -0.062 0.259 3.321 1.00 0.00 C ATOM 798 C CYS A 52 1.184 0.890 4.027 1.00 0.00 C ATOM 799 O CYS A 52 1.859 0.288 4.853 1.00 0.00 O ATOM 800 CB CYS A 52 -0.048 -1.280 3.450 1.00 0.00 C ATOM 801 SG CYS A 52 -1.413 -2.055 4.343 1.00 0.00 S ATOM 0 H CYS A 52 0.370 0.140 1.203 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.851 0.780 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.021 -1.701 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.882 -1.568 3.941 1.00 0.00 H new ATOM 806 N GLY A 53 1.441 2.119 3.686 1.00 0.00 N ATOM 807 CA GLY A 53 2.616 2.864 4.278 1.00 0.00 C ATOM 808 C GLY A 53 2.218 4.161 4.993 1.00 0.00 C ATOM 809 O GLY A 53 1.177 4.716 4.703 1.00 0.00 O ATOM 0 H GLY A 53 0.890 2.656 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.131 2.212 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.325 3.099 3.484 1.00 0.00 H new ATOM 813 N PRO A 54 3.064 4.611 5.897 1.00 0.00 N ATOM 814 CA PRO A 54 2.721 5.713 6.851 1.00 0.00 C ATOM 815 C PRO A 54 2.222 7.022 6.205 1.00 0.00 C ATOM 816 O PRO A 54 1.082 7.413 6.357 1.00 0.00 O ATOM 817 CB PRO A 54 4.022 5.873 7.677 1.00 0.00 C ATOM 818 CG PRO A 54 5.129 5.369 6.702 1.00 0.00 C ATOM 819 CD PRO A 54 4.464 4.123 6.096 1.00 0.00 C ATOM 0 HA PRO A 54 1.853 5.462 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.187 6.909 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.993 5.282 8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.376 6.112 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.055 5.126 7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.932 3.821 5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.510 3.265 6.766 1.00 0.00 H new ATOM 827 N ALA A 55 3.108 7.663 5.486 1.00 0.00 N ATOM 828 CA ALA A 55 2.759 8.956 4.806 1.00 0.00 C ATOM 829 C ALA A 55 2.314 8.690 3.357 1.00 0.00 C ATOM 830 O ALA A 55 2.894 7.876 2.671 1.00 0.00 O ATOM 831 CB ALA A 55 4.011 9.868 4.823 1.00 0.00 C ATOM 0 H ALA A 55 4.066 7.347 5.337 1.00 0.00 H new ATOM 0 HA ALA A 55 1.936 9.443 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.779 10.814 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.310 10.057 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.827 9.376 4.294 1.00 0.00 H new ATOM 837 N GLY A 56 1.310 9.396 2.924 1.00 0.00 N ATOM 838 CA GLY A 56 0.795 9.209 1.527 1.00 0.00 C ATOM 839 C GLY A 56 -0.723 9.353 1.464 1.00 0.00 C ATOM 840 O GLY A 56 -1.163 10.348 0.929 1.00 0.00 O ATOM 0 H GLY A 56 0.817 10.099 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.258 9.942 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.083 8.223 1.161 1.00 0.00 H new ATOM 844 N PRO A 57 -1.464 8.407 1.993 1.00 0.00 N ATOM 845 CA PRO A 57 -2.951 8.384 1.825 1.00 0.00 C ATOM 846 C PRO A 57 -3.676 9.745 2.037 1.00 0.00 C ATOM 847 O PRO A 57 -3.988 10.176 3.132 1.00 0.00 O ATOM 848 CB PRO A 57 -3.408 7.278 2.820 1.00 0.00 C ATOM 849 CG PRO A 57 -2.140 6.873 3.660 1.00 0.00 C ATOM 850 CD PRO A 57 -0.933 7.274 2.806 1.00 0.00 C ATOM 0 HA PRO A 57 -3.224 8.175 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.201 7.646 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.809 6.417 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.127 7.386 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.134 5.803 3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.086 7.579 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.591 6.451 2.178 1.00 0.00 H new ATOM 858 N ARG A 58 -3.984 10.379 0.940 1.00 0.00 N ATOM 859 CA ARG A 58 -4.680 11.705 0.991 1.00 0.00 C ATOM 860 C ARG A 58 -6.213 11.503 1.093 1.00 0.00 C ATOM 861 O ARG A 58 -6.967 11.938 0.243 1.00 0.00 O ATOM 862 CB ARG A 58 -4.210 12.474 -0.297 1.00 0.00 C ATOM 863 CG ARG A 58 -4.426 14.030 -0.244 1.00 0.00 C ATOM 864 CD ARG A 58 -3.851 14.562 -1.569 1.00 0.00 C ATOM 865 NE ARG A 58 -3.912 16.079 -1.607 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.812 16.753 -1.607 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.914 16.397 -2.439 1.00 0.00 N ATOM 868 NH2 ARG A 58 -2.634 17.731 -0.792 1.00 0.00 N ATOM 0 H ARG A 58 -3.784 10.036 0.000 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.427 12.294 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.151 12.272 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.746 12.075 -1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.483 14.278 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.914 14.470 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.819 14.231 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.412 14.149 -2.407 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.812 16.559 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.083 15.610 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.027 16.899 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.369 17.985 -0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.758 18.253 -0.806 1.00 0.00 H new ATOM 882 N GLY A 59 -6.587 10.843 2.169 1.00 0.00 N ATOM 883 CA GLY A 59 -8.033 10.512 2.494 1.00 0.00 C ATOM 884 C GLY A 59 -8.968 10.425 1.269 1.00 0.00 C ATOM 885 O GLY A 59 -8.590 9.903 0.237 1.00 0.00 O ATOM 0 H GLY A 59 -5.926 10.503 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.063 9.560 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.420 11.269 3.176 1.00 0.00 H new ATOM 889 N GLN A 60 -10.177 10.919 1.398 1.00 0.00 N ATOM 890 CA GLN A 60 -11.147 10.878 0.238 1.00 0.00 C ATOM 891 C GLN A 60 -10.417 11.305 -1.071 1.00 0.00 C ATOM 892 O GLN A 60 -10.393 10.616 -2.072 1.00 0.00 O ATOM 893 CB GLN A 60 -12.347 11.829 0.606 1.00 0.00 C ATOM 894 CG GLN A 60 -13.185 11.163 1.762 1.00 0.00 C ATOM 895 CD GLN A 60 -14.335 12.048 2.284 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.154 12.547 1.548 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.451 12.273 3.555 1.00 0.00 N ATOM 0 H GLN A 60 -10.540 11.348 2.249 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.533 9.874 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.974 12.803 0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.977 11.998 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.598 10.221 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.518 10.923 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.779 11.869 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.214 12.854 3.903 1.00 0.00 H new ATOM 906 N ALA A 61 -9.823 12.462 -0.986 1.00 0.00 N ATOM 907 CA ALA A 61 -9.054 13.071 -2.124 1.00 0.00 C ATOM 908 C ALA A 61 -8.055 12.113 -2.828 1.00 0.00 C ATOM 909 O ALA A 61 -7.713 12.327 -3.975 1.00 0.00 O ATOM 910 CB ALA A 61 -8.322 14.289 -1.558 1.00 0.00 C ATOM 0 H ALA A 61 -9.836 13.037 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.764 13.334 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.746 14.768 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.048 14.997 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.649 13.971 -0.762 1.00 0.00 H new ATOM 916 N ALA A 62 -7.611 11.116 -2.108 1.00 0.00 N ATOM 917 CA ALA A 62 -6.646 10.079 -2.603 1.00 0.00 C ATOM 918 C ALA A 62 -7.392 8.955 -3.377 1.00 0.00 C ATOM 919 O ALA A 62 -6.859 8.386 -4.317 1.00 0.00 O ATOM 920 CB ALA A 62 -5.901 9.492 -1.371 1.00 0.00 C ATOM 0 H ALA A 62 -7.895 10.969 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.934 10.531 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.191 8.734 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.366 10.289 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.623 9.041 -0.690 1.00 0.00 H new ATOM 926 N CYS A 63 -8.604 8.660 -2.975 1.00 0.00 N ATOM 927 CA CYS A 63 -9.383 7.588 -3.676 1.00 0.00 C ATOM 928 C CYS A 63 -9.934 8.162 -5.004 1.00 0.00 C ATOM 929 O CYS A 63 -11.099 8.461 -5.192 1.00 0.00 O ATOM 930 CB CYS A 63 -10.524 7.116 -2.754 1.00 0.00 C ATOM 931 SG CYS A 63 -11.624 5.950 -3.594 1.00 0.00 S ATOM 0 H CYS A 63 -9.086 9.111 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.749 6.731 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.103 6.644 -1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.098 7.978 -2.415 1.00 0.00 H new ATOM 936 N GLY A 64 -8.991 8.279 -5.902 1.00 0.00 N ATOM 937 CA GLY A 64 -9.247 8.820 -7.288 1.00 0.00 C ATOM 938 C GLY A 64 -7.964 9.394 -7.905 1.00 0.00 C ATOM 939 O GLY A 64 -8.006 10.105 -8.888 1.00 0.00 O ATOM 0 H GLY A 64 -8.020 8.016 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.636 8.026 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.011 9.596 -7.243 1.00 0.00 H new ATOM 943 N LYS A 65 -6.852 9.069 -7.284 1.00 0.00 N ATOM 944 CA LYS A 65 -5.494 9.510 -7.725 1.00 0.00 C ATOM 945 C LYS A 65 -4.592 8.269 -7.890 1.00 0.00 C ATOM 946 O LYS A 65 -4.936 7.147 -7.548 1.00 0.00 O ATOM 947 CB LYS A 65 -4.943 10.467 -6.650 1.00 0.00 C ATOM 948 CG LYS A 65 -5.803 11.745 -6.619 1.00 0.00 C ATOM 949 CD LYS A 65 -5.433 12.620 -7.865 1.00 0.00 C ATOM 950 CE LYS A 65 -6.239 13.911 -7.901 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.965 14.615 -6.605 1.00 0.00 N ATOM 0 H LYS A 65 -6.836 8.486 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.530 10.028 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.956 9.982 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.905 10.718 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.863 11.490 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.624 12.301 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.369 12.855 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.615 12.051 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.945 14.529 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.303 13.702 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.151 15.632 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.583 14.229 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.971 14.472 -6.336 1.00 0.00 H new ATOM 965 N CYS A 66 -3.425 8.507 -8.421 1.00 0.00 N ATOM 966 CA CYS A 66 -2.441 7.420 -8.648 1.00 0.00 C ATOM 967 C CYS A 66 -1.101 7.833 -8.036 1.00 0.00 C ATOM 968 O CYS A 66 -0.834 8.990 -7.763 1.00 0.00 O ATOM 969 CB CYS A 66 -2.425 7.211 -10.170 1.00 0.00 C ATOM 970 SG CYS A 66 -3.908 6.361 -10.781 1.00 0.00 S ATOM 0 H CYS A 66 -3.108 9.432 -8.713 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.685 6.472 -8.169 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.338 8.179 -10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.542 6.633 -10.443 1.00 0.00 H new ATOM 975 N LEU A 67 -0.267 6.868 -7.824 1.00 0.00 N ATOM 976 CA LEU A 67 1.067 7.180 -7.219 1.00 0.00 C ATOM 977 C LEU A 67 2.201 6.695 -8.128 1.00 0.00 C ATOM 978 O LEU A 67 2.107 5.653 -8.754 1.00 0.00 O ATOM 979 CB LEU A 67 1.123 6.482 -5.812 1.00 0.00 C ATOM 980 CG LEU A 67 1.750 7.385 -4.702 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.829 6.596 -3.370 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.174 7.784 -5.058 1.00 0.00 C ATOM 0 H LEU A 67 -0.437 5.885 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 67 1.195 8.257 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.114 6.199 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.702 5.562 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 67 1.121 8.270 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.267 7.229 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.827 6.294 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.449 5.710 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.584 8.412 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.787 6.889 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.173 8.338 -5.997 1.00 0.00 H new ATOM 994 N ARG A 68 3.252 7.463 -8.189 1.00 0.00 N ATOM 995 CA ARG A 68 4.382 7.024 -9.043 1.00 0.00 C ATOM 996 C ARG A 68 5.444 6.572 -8.025 1.00 0.00 C ATOM 997 O ARG A 68 5.817 7.326 -7.142 1.00 0.00 O ATOM 998 CB ARG A 68 4.871 8.206 -9.908 1.00 0.00 C ATOM 999 CG ARG A 68 6.038 7.640 -10.763 1.00 0.00 C ATOM 1000 CD ARG A 68 6.394 8.539 -11.933 1.00 0.00 C ATOM 1001 NE ARG A 68 5.260 8.388 -12.908 1.00 0.00 N ATOM 1002 CZ ARG A 68 4.678 9.362 -13.490 1.00 0.00 C ATOM 1003 NH1 ARG A 68 5.318 10.422 -13.799 1.00 0.00 N ATOM 1004 NH2 ARG A 68 3.446 9.168 -13.726 1.00 0.00 N ATOM 0 H ARG A 68 3.375 8.349 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 68 4.129 6.229 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.070 8.587 -10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.207 9.035 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.916 7.508 -10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.764 6.654 -11.138 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.503 9.575 -11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.342 8.243 -12.383 1.00 0.00 H new ATOM 0 HE ARG A 68 4.935 7.444 -13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.311 10.500 -13.581 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.836 11.191 -14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.007 8.289 -13.453 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.895 9.891 -14.189 1.00 0.00 H new ATOM 1018 N VAL A 69 5.881 5.350 -8.189 1.00 0.00 N ATOM 1019 CA VAL A 69 6.917 4.749 -7.278 1.00 0.00 C ATOM 1020 C VAL A 69 8.217 4.559 -8.058 1.00 0.00 C ATOM 1021 O VAL A 69 8.199 4.043 -9.159 1.00 0.00 O ATOM 1022 CB VAL A 69 6.484 3.341 -6.754 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.567 2.801 -5.772 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.126 3.381 -6.034 1.00 0.00 C ATOM 0 H VAL A 69 5.560 4.726 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 69 7.041 5.426 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 69 6.384 2.684 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.268 1.819 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.521 2.719 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.670 3.487 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.868 2.380 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.187 4.056 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.359 3.736 -6.723 1.00 0.00 H new ATOM 1034 N THR A 70 9.299 4.981 -7.457 1.00 0.00 N ATOM 1035 CA THR A 70 10.659 4.864 -8.089 1.00 0.00 C ATOM 1036 C THR A 70 11.671 4.172 -7.168 1.00 0.00 C ATOM 1037 O THR A 70 11.649 4.339 -5.955 1.00 0.00 O ATOM 1038 CB THR A 70 11.131 6.276 -8.446 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.265 6.628 -9.512 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.520 6.275 -9.089 1.00 0.00 C ATOM 0 H THR A 70 9.302 5.413 -6.533 1.00 0.00 H new ATOM 0 HA THR A 70 10.586 4.242 -8.981 1.00 0.00 H new ATOM 0 HB THR A 70 11.142 6.912 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.481 7.532 -9.824 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.813 7.298 -9.325 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.241 5.842 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.497 5.684 -10.005 1.00 0.00 H new ATOM 1048 N ASN A 71 12.511 3.419 -7.826 1.00 0.00 N ATOM 1049 CA ASN A 71 13.603 2.622 -7.193 1.00 0.00 C ATOM 1050 C ASN A 71 15.006 3.199 -7.508 1.00 0.00 C ATOM 1051 O ASN A 71 15.525 2.918 -8.572 1.00 0.00 O ATOM 1052 CB ASN A 71 13.455 1.195 -7.732 1.00 0.00 C ATOM 1053 CG ASN A 71 14.462 0.267 -7.067 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.244 0.665 -6.229 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.501 -0.987 -7.386 1.00 0.00 N ATOM 0 H ASN A 71 12.480 3.320 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 71 13.517 2.650 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.443 0.834 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.605 1.190 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.175 -1.607 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.858 -1.355 -8.087 1.00 0.00 H new ATOM 1062 N PRO A 72 15.594 3.965 -6.606 1.00 0.00 N ATOM 1063 CA PRO A 72 16.797 4.786 -6.940 1.00 0.00 C ATOM 1064 C PRO A 72 17.913 3.919 -7.552 1.00 0.00 C ATOM 1065 O PRO A 72 18.341 4.136 -8.666 1.00 0.00 O ATOM 1066 CB PRO A 72 17.225 5.458 -5.615 1.00 0.00 C ATOM 1067 CG PRO A 72 16.220 4.985 -4.511 1.00 0.00 C ATOM 1068 CD PRO A 72 15.150 4.089 -5.186 1.00 0.00 C ATOM 0 HA PRO A 72 16.579 5.538 -7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.245 5.177 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.208 6.544 -5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.744 4.431 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.750 5.843 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.090 3.113 -4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.159 4.538 -5.120 1.00 0.00 H new ATOM 1076 N ALA A 73 18.335 2.953 -6.776 1.00 0.00 N ATOM 1077 CA ALA A 73 19.413 1.984 -7.172 1.00 0.00 C ATOM 1078 C ALA A 73 19.510 1.679 -8.690 1.00 0.00 C ATOM 1079 O ALA A 73 20.564 1.764 -9.291 1.00 0.00 O ATOM 1080 CB ALA A 73 19.159 0.683 -6.369 1.00 0.00 C ATOM 0 H ALA A 73 17.961 2.787 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 73 20.374 2.443 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.919 -0.056 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.205 0.899 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.173 0.289 -6.617 1.00 0.00 H new ATOM 1086 N THR A 74 18.370 1.338 -9.227 1.00 0.00 N ATOM 1087 CA THR A 74 18.248 0.992 -10.690 1.00 0.00 C ATOM 1088 C THR A 74 17.693 2.125 -11.534 1.00 0.00 C ATOM 1089 O THR A 74 18.176 2.402 -12.614 1.00 0.00 O ATOM 1090 CB THR A 74 17.315 -0.240 -10.871 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.978 0.126 -10.509 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.667 -1.311 -9.818 1.00 0.00 C ATOM 0 H THR A 74 17.493 1.281 -8.708 1.00 0.00 H new ATOM 0 HA THR A 74 19.262 0.781 -11.031 1.00 0.00 H new ATOM 0 HB THR A 74 17.418 -0.585 -11.900 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.385 -0.646 -10.623 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.014 -2.174 -9.944 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.705 -1.620 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.532 -0.897 -8.819 1.00 0.00 H new ATOM 1100 N GLY A 75 16.682 2.738 -11.003 1.00 0.00 N ATOM 1101 CA GLY A 75 15.990 3.875 -11.673 1.00 0.00 C ATOM 1102 C GLY A 75 14.642 3.405 -12.195 1.00 0.00 C ATOM 1103 O GLY A 75 13.992 4.144 -12.900 1.00 0.00 O ATOM 0 H GLY A 75 16.288 2.490 -10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.854 4.698 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.599 4.254 -12.494 1.00 0.00 H new ATOM 1107 N ALA A 76 14.243 2.204 -11.857 1.00 0.00 N ATOM 1108 CA ALA A 76 12.919 1.741 -12.369 1.00 0.00 C ATOM 1109 C ALA A 76 11.758 2.452 -11.618 1.00 0.00 C ATOM 1110 O ALA A 76 11.808 2.745 -10.434 1.00 0.00 O ATOM 1111 CB ALA A 76 12.873 0.199 -12.191 1.00 0.00 C ATOM 0 H ALA A 76 14.755 1.546 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 76 12.795 1.994 -13.422 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.918 -0.181 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.684 -0.257 -12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.984 -0.049 -11.135 1.00 0.00 H new ATOM 1117 N GLN A 77 10.727 2.720 -12.379 1.00 0.00 N ATOM 1118 CA GLN A 77 9.509 3.408 -11.825 1.00 0.00 C ATOM 1119 C GLN A 77 8.163 2.947 -12.432 1.00 0.00 C ATOM 1120 O GLN A 77 8.062 2.660 -13.609 1.00 0.00 O ATOM 1121 CB GLN A 77 9.652 4.944 -12.040 1.00 0.00 C ATOM 1122 CG GLN A 77 9.955 5.248 -13.540 1.00 0.00 C ATOM 1123 CD GLN A 77 9.637 6.697 -13.930 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.578 7.606 -13.133 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.420 6.981 -15.174 1.00 0.00 N ATOM 0 H GLN A 77 10.672 2.491 -13.371 1.00 0.00 H new ATOM 0 HA GLN A 77 9.472 3.137 -10.770 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.735 5.449 -11.736 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.453 5.334 -11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.007 5.045 -13.742 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.374 4.572 -14.167 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.460 6.245 -15.879 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.209 7.940 -15.449 1.00 0.00 H new ATOM 1134 N ILE A 78 7.169 2.906 -11.592 1.00 0.00 N ATOM 1135 CA ILE A 78 5.788 2.489 -11.998 1.00 0.00 C ATOM 1136 C ILE A 78 4.704 3.504 -11.551 1.00 0.00 C ATOM 1137 O ILE A 78 4.891 4.214 -10.580 1.00 0.00 O ATOM 1138 CB ILE A 78 5.581 1.110 -11.367 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.442 0.353 -12.082 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.252 1.184 -9.867 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.021 -0.425 -13.269 1.00 0.00 C ATOM 0 H ILE A 78 7.255 3.152 -10.606 1.00 0.00 H new ATOM 0 HA ILE A 78 5.691 2.454 -13.083 1.00 0.00 H new ATOM 0 HB ILE A 78 6.526 0.579 -11.483 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.952 -0.330 -11.388 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.683 1.055 -12.427 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.116 0.176 -9.474 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.071 1.672 -9.339 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.336 1.756 -9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.220 -0.962 -13.778 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.491 0.270 -13.965 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.764 -1.137 -12.910 1.00 0.00 H new ATOM 1153 N THR A 79 3.604 3.529 -12.264 1.00 0.00 N ATOM 1154 CA THR A 79 2.458 4.458 -11.936 1.00 0.00 C ATOM 1155 C THR A 79 1.361 3.461 -11.474 1.00 0.00 C ATOM 1156 O THR A 79 0.823 2.690 -12.251 1.00 0.00 O ATOM 1157 CB THR A 79 1.968 5.274 -13.214 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.960 6.252 -13.557 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.850 6.236 -12.862 1.00 0.00 C ATOM 0 H THR A 79 3.442 2.935 -13.077 1.00 0.00 H new ATOM 0 HA THR A 79 2.719 5.218 -11.200 1.00 0.00 H new ATOM 0 HB THR A 79 1.722 4.519 -13.961 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.838 6.529 -14.489 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.540 6.776 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.003 5.679 -12.462 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.203 6.946 -12.114 1.00 0.00 H new ATOM 1167 N ALA A 80 1.058 3.515 -10.210 1.00 0.00 N ATOM 1168 CA ALA A 80 0.030 2.614 -9.592 1.00 0.00 C ATOM 1169 C ALA A 80 -1.253 3.409 -9.321 1.00 0.00 C ATOM 1170 O ALA A 80 -1.205 4.623 -9.314 1.00 0.00 O ATOM 1171 CB ALA A 80 0.657 2.060 -8.299 1.00 0.00 C ATOM 0 H ALA A 80 1.490 4.165 -9.553 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.248 1.789 -10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.052 1.395 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.564 1.507 -8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.904 2.886 -7.631 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.353 2.745 -9.082 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.624 3.501 -8.824 1.00 0.00 C ATOM 1179 C ARG A 81 -3.873 3.463 -7.300 1.00 0.00 C ATOM 1180 O ARG A 81 -3.623 2.427 -6.742 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.722 2.763 -9.628 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.698 3.753 -10.374 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.059 3.027 -10.637 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.985 2.985 -9.415 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.888 3.829 -8.449 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.760 4.065 -7.938 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.929 4.411 -8.029 1.00 0.00 N ATOM 0 H ARG A 81 -2.432 1.728 -9.053 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.599 4.546 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.252 2.104 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.298 2.131 -8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.859 4.647 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.257 4.078 -11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.575 3.529 -11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.859 2.007 -10.964 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.703 2.262 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.930 3.588 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.677 4.733 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.833 4.209 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.864 5.082 -7.264 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.326 4.514 -6.656 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.564 4.433 -5.166 1.00 0.00 C ATOM 1203 C ILE A 82 -6.008 3.949 -4.935 1.00 0.00 C ATOM 1204 O ILE A 82 -6.903 4.582 -5.456 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.347 5.852 -4.532 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.962 6.429 -4.988 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.436 5.762 -2.985 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.546 7.660 -4.131 1.00 0.00 C ATOM 0 H ILE A 82 -4.540 5.415 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.869 3.736 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.130 6.528 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.200 5.654 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.015 6.717 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.284 6.751 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.419 5.388 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.668 5.083 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.582 8.034 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.296 8.444 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.469 7.365 -3.084 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.228 2.880 -4.212 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.647 2.400 -3.975 1.00 0.00 C ATOM 1222 C VAL A 83 -8.072 2.448 -2.521 1.00 0.00 C ATOM 1223 O VAL A 83 -9.215 2.744 -2.223 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.760 0.955 -4.510 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.784 0.064 -3.734 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.333 1.032 -5.909 1.00 0.00 C ATOM 0 H VAL A 83 -5.501 2.315 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.319 3.078 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.763 0.523 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.803 -0.934 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.487 -0.005 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.777 0.509 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.427 0.027 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.315 1.503 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.670 1.622 -6.542 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.144 2.126 -1.662 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.481 2.148 -0.197 1.00 0.00 C ATOM 1238 C ASP A 84 -6.317 2.644 0.708 1.00 0.00 C ATOM 1239 O ASP A 84 -5.192 2.828 0.278 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.949 0.704 0.141 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.466 0.600 1.572 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.456 1.266 1.836 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.832 -0.133 2.301 1.00 0.00 O ATOM 0 H ASP A 84 -6.189 1.854 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.265 2.877 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.735 0.404 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.120 0.011 0.002 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.641 2.831 1.960 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.649 3.315 2.983 1.00 0.00 C ATOM 1250 C GLN A 85 -5.370 2.303 4.122 1.00 0.00 C ATOM 1251 O GLN A 85 -6.265 2.023 4.895 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.207 4.652 3.568 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.209 5.328 4.593 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.108 4.692 5.982 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.054 3.982 6.495 1.00 0.00 O flip ATOM 1256 NE2 GLN A 85 -4.114 4.851 6.649 1.00 0.00 N flip ATOM 0 H GLN A 85 -7.576 2.666 2.332 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.687 3.452 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.409 5.345 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.158 4.459 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.214 5.330 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.504 6.370 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.339 5.405 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.049 4.431 7.576 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.173 1.770 4.195 1.00 0.00 N ATOM 1266 CA CYS A 86 -3.833 0.797 5.290 1.00 0.00 C ATOM 1267 C CYS A 86 -2.388 1.039 5.817 1.00 0.00 C ATOM 1268 O CYS A 86 -1.720 1.949 5.361 1.00 0.00 O ATOM 1269 CB CYS A 86 -4.052 -0.630 4.709 1.00 0.00 C ATOM 1270 SG CYS A 86 -3.065 -1.391 3.394 1.00 0.00 S ATOM 0 H CYS A 86 -3.413 1.966 3.543 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.474 0.928 6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.990 -1.310 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.084 -0.653 4.358 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.914 0.256 6.759 1.00 0.00 N ATOM 1276 CA ALA A 87 -0.514 0.488 7.283 1.00 0.00 C ATOM 1277 C ALA A 87 0.276 -0.719 7.889 1.00 0.00 C ATOM 1278 O ALA A 87 0.518 -0.766 9.079 1.00 0.00 O ATOM 1279 CB ALA A 87 -0.641 1.634 8.310 1.00 0.00 C ATOM 0 H ALA A 87 -2.419 -0.521 7.185 1.00 0.00 H new ATOM 0 HA ALA A 87 0.105 0.713 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.340 1.855 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.033 2.523 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.319 1.334 9.108 1.00 0.00 H new ATOM 1285 N ASN A 88 0.672 -1.675 7.089 1.00 0.00 N ATOM 1286 CA ASN A 88 1.441 -2.847 7.659 1.00 0.00 C ATOM 1287 C ASN A 88 2.819 -3.128 7.013 1.00 0.00 C ATOM 1288 O ASN A 88 3.385 -4.194 7.168 1.00 0.00 O ATOM 1289 CB ASN A 88 0.476 -4.067 7.559 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.219 -4.154 6.209 1.00 0.00 C ATOM 1291 OD1 ASN A 88 0.402 -3.900 5.109 1.00 0.00 O flip ATOM 1292 ND2 ASN A 88 -1.382 -4.467 6.128 1.00 0.00 N flip ATOM 0 H ASN A 88 0.506 -1.706 6.083 1.00 0.00 H new ATOM 0 HA ASN A 88 1.725 -2.620 8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.037 -4.985 7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.275 -3.997 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.914 -4.677 6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.833 -4.521 5.215 1.00 0.00 H new ATOM 1299 N GLY A 89 3.315 -2.150 6.297 1.00 0.00 N ATOM 1300 CA GLY A 89 4.650 -2.274 5.610 1.00 0.00 C ATOM 1301 C GLY A 89 4.368 -2.676 4.171 1.00 0.00 C ATOM 1302 O GLY A 89 3.321 -3.244 3.947 1.00 0.00 O ATOM 0 H GLY A 89 2.848 -1.254 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.194 -1.330 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.272 -3.020 6.105 1.00 0.00 H new ATOM 1306 N GLY A 90 5.257 -2.404 3.249 1.00 0.00 N ATOM 1307 CA GLY A 90 4.998 -2.798 1.815 1.00 0.00 C ATOM 1308 C GLY A 90 3.565 -2.508 1.397 1.00 0.00 C ATOM 1309 O GLY A 90 2.712 -3.345 1.230 1.00 0.00 O ATOM 0 H GLY A 90 6.145 -1.931 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.683 -2.259 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.205 -3.860 1.687 1.00 0.00 H new ATOM 1313 N LEU A 91 3.416 -1.242 1.267 1.00 0.00 N ATOM 1314 CA LEU A 91 2.164 -0.565 0.882 1.00 0.00 C ATOM 1315 C LEU A 91 1.325 -0.897 -0.360 1.00 0.00 C ATOM 1316 O LEU A 91 1.172 0.006 -1.151 1.00 0.00 O ATOM 1317 CB LEU A 91 2.568 0.989 0.915 1.00 0.00 C ATOM 1318 CG LEU A 91 3.933 1.234 0.149 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.924 2.596 -0.601 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.089 1.398 1.179 1.00 0.00 C ATOM 0 H LEU A 91 4.182 -0.588 1.427 1.00 0.00 H new ATOM 0 HA LEU A 91 1.426 -0.954 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.778 1.584 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.661 1.323 1.948 1.00 0.00 H new ATOM 0 HG LEU A 91 4.061 0.389 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.875 2.734 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.112 2.605 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.779 3.405 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.027 1.566 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.881 2.249 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.170 0.494 1.782 1.00 0.00 H new ATOM 1332 N ASP A 92 0.777 -2.080 -0.548 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.041 -2.273 -1.841 1.00 0.00 C ATOM 1334 C ASP A 92 -1.172 -3.410 -1.879 1.00 0.00 C ATOM 1335 O ASP A 92 -0.976 -4.469 -1.319 1.00 0.00 O ATOM 1336 CB ASP A 92 1.094 -2.463 -2.935 1.00 0.00 C ATOM 1337 CG ASP A 92 1.932 -3.700 -2.635 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.746 -3.593 -1.733 1.00 0.00 O ATOM 1339 OD2 ASP A 92 1.706 -4.682 -3.327 1.00 0.00 O ATOM 0 H ASP A 92 0.840 -2.883 0.078 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.698 -1.417 -1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.642 -2.555 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.734 -1.581 -2.958 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.329 -3.272 -2.514 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.291 -4.458 -2.438 1.00 0.00 C ATOM 1346 C LEU A 93 -3.401 -4.955 -3.864 1.00 0.00 C ATOM 1347 O LEU A 93 -4.464 -4.854 -4.404 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.783 -4.023 -1.804 1.00 0.00 C ATOM 1349 CG LEU A 93 -6.148 -4.018 -2.696 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -7.383 -3.913 -1.866 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.183 -2.776 -3.568 1.00 0.00 C ATOM 0 H LEU A 93 -2.640 -2.458 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.926 -5.233 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.967 -4.685 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.669 -3.016 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.133 -4.954 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.259 -3.914 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.436 -4.761 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.358 -2.987 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.096 -2.775 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.160 -1.888 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.318 -2.772 -4.231 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.223 -5.300 -4.386 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.764 -5.858 -5.697 1.00 0.00 C ATOM 1365 C ASP A 94 -1.649 -7.312 -5.925 1.00 0.00 C ATOM 1366 O ASP A 94 -2.511 -8.066 -6.277 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.453 -4.954 -6.092 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.175 -3.592 -6.202 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.758 -3.302 -7.241 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.128 -2.937 -5.180 1.00 0.00 O ATOM 0 H ASP A 94 -1.402 -5.175 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.595 -5.769 -6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.322 -4.967 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.016 -5.266 -7.025 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.378 -7.534 -5.632 1.00 0.00 N ATOM 1376 CA TRP A 95 0.439 -8.784 -5.647 1.00 0.00 C ATOM 1377 C TRP A 95 1.651 -8.699 -6.593 1.00 0.00 C ATOM 1378 O TRP A 95 2.799 -8.966 -6.282 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.314 -10.035 -6.167 1.00 0.00 C ATOM 1380 CG TRP A 95 0.718 -11.130 -6.643 1.00 0.00 C ATOM 1381 CD1 TRP A 95 0.821 -11.548 -7.933 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.671 -11.779 -5.925 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.814 -12.412 -7.917 1.00 0.00 N ATOM 1384 CE2 TRP A 95 2.387 -12.613 -6.758 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.024 -11.712 -4.603 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 3.438 -13.368 -6.301 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.080 -12.462 -4.133 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.786 -13.285 -4.981 1.00 0.00 C ATOM 0 H TRP A 95 0.202 -6.749 -5.336 1.00 0.00 H new ATOM 0 HA TRP A 95 0.714 -8.879 -4.596 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.949 -10.440 -5.379 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.969 -9.758 -6.993 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.224 -11.241 -8.779 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.120 -12.897 -8.760 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.475 -11.071 -3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.981 -14.017 -6.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.356 -12.404 -3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.615 -13.865 -4.604 1.00 0.00 H new ATOM 1399 N ASP A 96 1.282 -8.303 -7.762 1.00 0.00 N ATOM 1400 CA ASP A 96 2.255 -8.177 -8.905 1.00 0.00 C ATOM 1401 C ASP A 96 2.437 -6.876 -9.657 1.00 0.00 C ATOM 1402 O ASP A 96 3.211 -6.810 -10.595 1.00 0.00 O ATOM 1403 CB ASP A 96 1.871 -9.284 -9.949 1.00 0.00 C ATOM 1404 CG ASP A 96 0.407 -9.133 -10.441 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.447 -8.667 -9.698 1.00 0.00 O ATOM 1406 OD2 ASP A 96 0.246 -9.525 -11.582 1.00 0.00 O ATOM 0 H ASP A 96 0.323 -8.050 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 96 3.218 -8.265 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.548 -9.229 -10.802 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.003 -10.268 -9.500 1.00 0.00 H new ATOM 1411 N THR A 97 1.743 -5.876 -9.260 1.00 0.00 N ATOM 1412 CA THR A 97 1.850 -4.556 -9.975 1.00 0.00 C ATOM 1413 C THR A 97 2.931 -3.591 -9.479 1.00 0.00 C ATOM 1414 O THR A 97 3.550 -2.907 -10.268 1.00 0.00 O ATOM 1415 CB THR A 97 0.471 -3.875 -9.879 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.462 -3.520 -8.514 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.703 -4.913 -9.894 1.00 0.00 C ATOM 0 H THR A 97 1.097 -5.892 -8.471 1.00 0.00 H new ATOM 0 HA THR A 97 2.158 -4.787 -10.995 1.00 0.00 H new ATOM 0 HB THR A 97 0.349 -3.128 -10.664 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.401 -3.115 -8.287 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.655 -4.387 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.671 -5.485 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.600 -5.591 -9.047 1.00 0.00 H new ATOM 1425 N VAL A 98 3.097 -3.577 -8.182 1.00 0.00 N ATOM 1426 CA VAL A 98 4.084 -2.698 -7.513 1.00 0.00 C ATOM 1427 C VAL A 98 5.497 -3.236 -7.294 1.00 0.00 C ATOM 1428 O VAL A 98 6.398 -2.946 -8.054 1.00 0.00 O ATOM 1429 CB VAL A 98 3.435 -2.282 -6.126 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.352 -1.328 -5.327 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.084 -1.565 -6.355 1.00 0.00 C ATOM 0 H VAL A 98 2.564 -4.165 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 98 4.266 -1.870 -8.198 1.00 0.00 H new ATOM 0 HB VAL A 98 3.291 -3.201 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.872 -1.067 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.303 -1.821 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.529 -0.422 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.652 -1.286 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.245 -0.669 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.401 -2.234 -6.879 1.00 0.00 H new ATOM 1441 N PHE A 99 5.618 -4.035 -6.268 1.00 0.00 N ATOM 1442 CA PHE A 99 6.981 -4.610 -5.916 1.00 0.00 C ATOM 1443 C PHE A 99 7.669 -5.454 -6.998 1.00 0.00 C ATOM 1444 O PHE A 99 8.444 -4.880 -7.742 1.00 0.00 O ATOM 1445 CB PHE A 99 6.863 -5.451 -4.567 1.00 0.00 C ATOM 1446 CG PHE A 99 8.293 -5.681 -3.954 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.064 -4.558 -3.658 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.858 -6.937 -3.706 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.342 -4.670 -3.143 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.139 -7.033 -3.192 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.877 -5.908 -2.912 1.00 0.00 C ATOM 0 H PHE A 99 4.853 -4.320 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 99 7.630 -3.741 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.232 -4.922 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.385 -6.410 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.652 -3.575 -3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.293 -7.833 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.917 -3.782 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.566 -8.008 -3.008 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.876 -6.001 -2.511 1.00 0.00 H new ATOM 1461 N THR A 100 7.401 -6.742 -7.089 1.00 0.00 N ATOM 1462 CA THR A 100 8.042 -7.666 -8.128 1.00 0.00 C ATOM 1463 C THR A 100 8.323 -6.997 -9.513 1.00 0.00 C ATOM 1464 O THR A 100 9.112 -7.478 -10.302 1.00 0.00 O ATOM 1465 CB THR A 100 7.142 -8.978 -8.382 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.755 -8.970 -9.749 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.725 -8.917 -7.769 1.00 0.00 C ATOM 0 H THR A 100 6.744 -7.218 -6.471 1.00 0.00 H new ATOM 0 HA THR A 100 9.004 -7.928 -7.688 1.00 0.00 H new ATOM 0 HB THR A 100 7.744 -9.799 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.205 -9.759 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.193 -9.842 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.801 -8.791 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.180 -8.074 -8.195 1.00 0.00 H new ATOM 1475 N LYS A 101 7.656 -5.902 -9.769 1.00 0.00 N ATOM 1476 CA LYS A 101 7.786 -5.128 -11.034 1.00 0.00 C ATOM 1477 C LYS A 101 9.002 -4.181 -11.002 1.00 0.00 C ATOM 1478 O LYS A 101 9.786 -4.125 -11.931 1.00 0.00 O ATOM 1479 CB LYS A 101 6.491 -4.320 -11.227 1.00 0.00 C ATOM 1480 CG LYS A 101 5.437 -5.172 -11.944 1.00 0.00 C ATOM 1481 CD LYS A 101 5.689 -5.093 -13.480 1.00 0.00 C ATOM 1482 CE LYS A 101 4.906 -6.194 -14.176 1.00 0.00 C ATOM 1483 NZ LYS A 101 5.608 -7.477 -13.862 1.00 0.00 N ATOM 0 H LYS A 101 6.990 -5.494 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 101 7.942 -5.818 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.109 -3.995 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.698 -3.421 -11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.493 -6.206 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.436 -4.813 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.384 -4.118 -13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.753 -5.199 -13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.875 -6.219 -13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.871 -6.024 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.681 -8.053 -14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.561 -7.272 -13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.070 -8.000 -13.142 1.00 0.00 H new ATOM 1497 N ILE A 102 9.114 -3.460 -9.917 1.00 0.00 N ATOM 1498 CA ILE A 102 10.247 -2.501 -9.765 1.00 0.00 C ATOM 1499 C ILE A 102 11.520 -3.228 -9.296 1.00 0.00 C ATOM 1500 O ILE A 102 12.567 -2.604 -9.206 1.00 0.00 O ATOM 1501 CB ILE A 102 9.848 -1.403 -8.741 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.542 -2.039 -7.364 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.604 -0.617 -9.271 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.609 -0.954 -6.296 1.00 0.00 C ATOM 0 H ILE A 102 8.468 -3.494 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 102 10.459 -2.043 -10.731 1.00 0.00 H new ATOM 0 HB ILE A 102 10.679 -0.708 -8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.554 -2.500 -7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.260 -2.829 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.326 0.153 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.848 -0.150 -10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.770 -1.305 -9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.395 -1.390 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.606 -0.514 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.874 -0.180 -6.517 1.00 0.00 H new ATOM 1516 N ASP A 103 11.366 -4.507 -9.017 1.00 0.00 N ATOM 1517 CA ASP A 103 12.520 -5.355 -8.560 1.00 0.00 C ATOM 1518 C ASP A 103 13.318 -5.865 -9.785 1.00 0.00 C ATOM 1519 O ASP A 103 13.314 -7.019 -10.169 1.00 0.00 O ATOM 1520 CB ASP A 103 11.967 -6.536 -7.762 1.00 0.00 C ATOM 1521 CG ASP A 103 11.493 -6.129 -6.390 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.392 -5.890 -5.591 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.283 -6.096 -6.254 1.00 0.00 O ATOM 0 H ASP A 103 10.478 -5.004 -9.088 1.00 0.00 H new ATOM 0 HA ASP A 103 13.191 -4.767 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.140 -6.987 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.739 -7.299 -7.665 1.00 0.00 H new ATOM 1528 N THR A 104 14.023 -4.955 -10.390 1.00 0.00 N ATOM 1529 CA THR A 104 14.843 -5.310 -11.598 1.00 0.00 C ATOM 1530 C THR A 104 16.144 -6.031 -11.258 1.00 0.00 C ATOM 1531 O THR A 104 16.651 -6.787 -12.060 1.00 0.00 O ATOM 1532 CB THR A 104 15.174 -4.029 -12.384 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.720 -3.156 -11.406 1.00 0.00 O ATOM 1534 CG2 THR A 104 13.932 -3.235 -12.716 1.00 0.00 C ATOM 0 H THR A 104 14.073 -3.976 -10.107 1.00 0.00 H new ATOM 0 HA THR A 104 14.241 -5.997 -12.193 1.00 0.00 H new ATOM 0 HB THR A 104 15.759 -4.305 -13.262 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.245 -2.457 -11.848 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.210 -2.339 -13.271 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.262 -3.844 -13.323 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.426 -2.948 -11.794 1.00 0.00 H new ATOM 1542 N ASN A 105 16.662 -5.791 -10.087 1.00 0.00 N ATOM 1543 CA ASN A 105 17.951 -6.451 -9.647 1.00 0.00 C ATOM 1544 C ASN A 105 17.790 -7.820 -8.938 1.00 0.00 C ATOM 1545 O ASN A 105 18.536 -8.737 -9.218 1.00 0.00 O ATOM 1546 CB ASN A 105 18.689 -5.468 -8.707 1.00 0.00 C ATOM 1547 CG ASN A 105 17.685 -4.995 -7.669 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.819 -4.198 -7.955 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.719 -5.439 -6.459 1.00 0.00 N ATOM 0 H ASN A 105 16.252 -5.160 -9.398 1.00 0.00 H new ATOM 0 HA ASN A 105 18.512 -6.672 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.536 -5.958 -8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.087 -4.623 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.030 -5.118 -5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.434 -6.111 -6.182 1.00 0.00 H new ATOM 1556 N GLY A 106 16.849 -7.934 -8.038 1.00 0.00 N ATOM 1557 CA GLY A 106 16.645 -9.242 -7.318 1.00 0.00 C ATOM 1558 C GLY A 106 16.952 -9.207 -5.827 1.00 0.00 C ATOM 1559 O GLY A 106 16.174 -9.708 -5.042 1.00 0.00 O ATOM 0 H GLY A 106 16.211 -7.186 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.611 -9.558 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.273 -10.000 -7.786 1.00 0.00 H new ATOM 1563 N ILE A 107 18.070 -8.640 -5.446 1.00 0.00 N ATOM 1564 CA ILE A 107 18.457 -8.566 -3.997 1.00 0.00 C ATOM 1565 C ILE A 107 17.262 -8.322 -3.045 1.00 0.00 C ATOM 1566 O ILE A 107 17.116 -9.058 -2.098 1.00 0.00 O ATOM 1567 CB ILE A 107 19.515 -7.450 -3.824 1.00 0.00 C ATOM 1568 CG1 ILE A 107 20.709 -7.582 -4.841 1.00 0.00 C ATOM 1569 CG2 ILE A 107 20.096 -7.553 -2.376 1.00 0.00 C ATOM 1570 CD1 ILE A 107 21.327 -9.011 -4.875 1.00 0.00 C ATOM 0 H ILE A 107 18.743 -8.218 -6.086 1.00 0.00 H new ATOM 0 HA ILE A 107 18.863 -9.538 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 107 19.025 -6.494 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 107 20.359 -7.320 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 107 21.485 -6.863 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.846 -6.776 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.292 -7.424 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.556 -8.531 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 107 22.145 -9.037 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 107 21.706 -9.267 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 107 20.563 -9.731 -5.168 1.00 0.00 H new ATOM 1582 N GLY A 108 16.448 -7.311 -3.293 1.00 0.00 N ATOM 1583 CA GLY A 108 15.254 -7.019 -2.409 1.00 0.00 C ATOM 1584 C GLY A 108 14.513 -8.325 -2.102 1.00 0.00 C ATOM 1585 O GLY A 108 14.327 -8.683 -0.959 1.00 0.00 O ATOM 0 H GLY A 108 16.560 -6.668 -4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.581 -6.548 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.584 -6.316 -2.905 1.00 0.00 H new ATOM 1589 N TYR A 109 14.123 -9.008 -3.150 1.00 0.00 N ATOM 1590 CA TYR A 109 13.386 -10.307 -2.956 1.00 0.00 C ATOM 1591 C TYR A 109 14.289 -11.250 -2.141 1.00 0.00 C ATOM 1592 O TYR A 109 13.849 -11.885 -1.204 1.00 0.00 O ATOM 1593 CB TYR A 109 13.060 -10.911 -4.351 1.00 0.00 C ATOM 1594 CG TYR A 109 12.180 -12.179 -4.215 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.862 -12.088 -3.795 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.686 -13.432 -4.515 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.072 -13.221 -3.679 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.887 -14.560 -4.397 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.579 -14.458 -3.979 1.00 0.00 C ATOM 1600 OH TYR A 109 9.783 -15.575 -3.857 1.00 0.00 O ATOM 0 H TYR A 109 14.277 -8.732 -4.120 1.00 0.00 H new ATOM 0 HA TYR A 109 12.449 -10.157 -2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.544 -10.169 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.986 -11.161 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.445 -11.121 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.710 -13.532 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.048 -13.128 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.296 -15.530 -4.636 1.00 0.00 H new ATOM 0 HH TYR A 109 10.296 -16.371 -4.110 1.00 0.00 H new ATOM 1610 N GLN A 110 15.545 -11.304 -2.507 1.00 0.00 N ATOM 1611 CA GLN A 110 16.494 -12.199 -1.766 1.00 0.00 C ATOM 1612 C GLN A 110 17.029 -11.498 -0.477 1.00 0.00 C ATOM 1613 O GLN A 110 18.087 -11.821 0.024 1.00 0.00 O ATOM 1614 CB GLN A 110 17.632 -12.548 -2.762 1.00 0.00 C ATOM 1615 CG GLN A 110 18.417 -13.832 -2.317 1.00 0.00 C ATOM 1616 CD GLN A 110 17.593 -15.112 -2.529 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.646 -15.148 -3.278 1.00 0.00 O ATOM 1618 NE2 GLN A 110 17.896 -16.208 -1.911 1.00 0.00 N ATOM 0 H GLN A 110 15.954 -10.775 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 110 16.002 -13.109 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.211 -12.704 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.321 -11.707 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 110 19.347 -13.902 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.688 -13.745 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.687 -16.229 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.343 -17.051 -2.067 1.00 0.00 H new ATOM 1627 N GLN A 111 16.270 -10.554 0.020 1.00 0.00 N ATOM 1628 CA GLN A 111 16.643 -9.797 1.260 1.00 0.00 C ATOM 1629 C GLN A 111 15.458 -9.712 2.242 1.00 0.00 C ATOM 1630 O GLN A 111 15.585 -9.995 3.414 1.00 0.00 O ATOM 1631 CB GLN A 111 17.097 -8.384 0.851 1.00 0.00 C ATOM 1632 CG GLN A 111 17.399 -7.523 2.135 1.00 0.00 C ATOM 1633 CD GLN A 111 17.888 -6.126 1.780 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.055 -5.266 2.612 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.146 -5.820 0.555 1.00 0.00 N ATOM 0 H GLN A 111 15.382 -10.267 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 111 17.452 -10.321 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.988 -8.446 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.322 -7.903 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.497 -7.448 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.151 -8.028 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.020 -6.514 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.477 -4.884 0.322 1.00 0.00 H new ATOM 1644 N GLY A 112 14.333 -9.311 1.713 1.00 0.00 N ATOM 1645 CA GLY A 112 13.067 -9.158 2.504 1.00 0.00 C ATOM 1646 C GLY A 112 12.453 -7.778 2.247 1.00 0.00 C ATOM 1647 O GLY A 112 11.262 -7.652 2.056 1.00 0.00 O ATOM 0 H GLY A 112 14.232 -9.073 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.358 -9.938 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.275 -9.280 3.567 1.00 0.00 H new ATOM 1651 N HIS A 113 13.295 -6.776 2.257 1.00 0.00 N ATOM 1652 CA HIS A 113 12.825 -5.361 2.018 1.00 0.00 C ATOM 1653 C HIS A 113 13.791 -4.471 1.197 1.00 0.00 C ATOM 1654 O HIS A 113 14.951 -4.808 1.055 1.00 0.00 O ATOM 1655 CB HIS A 113 12.586 -4.715 3.386 1.00 0.00 C ATOM 1656 CG HIS A 113 13.871 -4.754 4.232 1.00 0.00 C ATOM 1657 ND1 HIS A 113 15.081 -4.631 3.786 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.031 -4.910 5.598 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.919 -4.701 4.772 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.309 -4.875 5.917 1.00 0.00 N ATOM 0 H HIS A 113 14.297 -6.870 2.421 1.00 0.00 H new ATOM 0 HA HIS A 113 11.921 -5.430 1.413 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.261 -3.683 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.784 -5.239 3.907 1.00 0.00 H new ATOM 0 HD1 HIS A 113 15.336 -4.499 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.223 -5.042 6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.991 -4.625 4.662 1.00 0.00 H new ATOM 1668 N LEU A 114 13.288 -3.366 0.711 1.00 0.00 N ATOM 1669 CA LEU A 114 14.111 -2.394 -0.108 1.00 0.00 C ATOM 1670 C LEU A 114 13.859 -0.908 0.295 1.00 0.00 C ATOM 1671 O LEU A 114 13.012 -0.631 1.124 1.00 0.00 O ATOM 1672 CB LEU A 114 13.752 -2.669 -1.599 1.00 0.00 C ATOM 1673 CG LEU A 114 14.545 -1.814 -2.632 1.00 0.00 C ATOM 1674 CD1 LEU A 114 16.059 -1.964 -2.437 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.210 -2.362 -4.018 1.00 0.00 C ATOM 0 H LEU A 114 12.318 -3.080 0.845 1.00 0.00 H new ATOM 0 HA LEU A 114 15.175 -2.547 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.927 -3.724 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.687 -2.488 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 114 14.275 -0.765 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.583 -1.355 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.331 -1.635 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.340 -3.009 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.746 -1.790 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.507 -3.409 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.137 -2.279 -4.193 1.00 0.00 H new ATOM 1687 N ASN A 115 14.581 0.022 -0.286 1.00 0.00 N ATOM 1688 CA ASN A 115 14.377 1.456 0.061 1.00 0.00 C ATOM 1689 C ASN A 115 13.870 2.079 -1.248 1.00 0.00 C ATOM 1690 O ASN A 115 14.499 1.983 -2.288 1.00 0.00 O ATOM 1691 CB ASN A 115 15.738 1.999 0.535 1.00 0.00 C ATOM 1692 CG ASN A 115 15.546 3.189 1.480 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.564 4.013 1.353 1.00 0.00 O flip ATOM 1694 ND2 ASN A 115 16.319 3.391 2.385 1.00 0.00 N flip ATOM 0 H ASN A 115 15.302 -0.155 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 115 13.667 1.666 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.293 1.210 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.333 2.304 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.113 2.766 2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.178 4.186 3.008 1.00 0.00 H new ATOM 1701 N VAL A 116 12.725 2.686 -1.133 1.00 0.00 N ATOM 1702 CA VAL A 116 12.079 3.343 -2.318 1.00 0.00 C ATOM 1703 C VAL A 116 11.676 4.819 -2.055 1.00 0.00 C ATOM 1704 O VAL A 116 11.750 5.309 -0.937 1.00 0.00 O ATOM 1705 CB VAL A 116 10.805 2.482 -2.711 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.154 0.971 -2.944 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.772 2.531 -1.549 1.00 0.00 C ATOM 0 H VAL A 116 12.198 2.760 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 116 12.803 3.377 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 116 10.411 2.907 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.249 0.425 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.880 0.886 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.576 0.550 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.896 1.940 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.223 2.123 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.473 3.564 -1.371 1.00 0.00 H new ATOM 1717 N ASN A 117 11.268 5.458 -3.130 1.00 0.00 N ATOM 1718 CA ASN A 117 10.812 6.892 -3.110 1.00 0.00 C ATOM 1719 C ASN A 117 9.427 6.968 -3.780 1.00 0.00 C ATOM 1720 O ASN A 117 9.208 6.262 -4.752 1.00 0.00 O ATOM 1721 CB ASN A 117 11.812 7.756 -3.898 1.00 0.00 C ATOM 1722 CG ASN A 117 13.041 7.948 -3.058 1.00 0.00 C ATOM 1723 OD1 ASN A 117 12.984 8.493 -1.989 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.199 7.543 -3.442 1.00 0.00 N ATOM 0 H ASN A 117 11.231 5.029 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 117 10.755 7.257 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.069 7.273 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.367 8.720 -4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.014 7.691 -2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.303 7.074 -4.342 1.00 0.00 H new ATOM 1731 N TYR A 118 8.515 7.780 -3.310 1.00 0.00 N ATOM 1732 CA TYR A 118 7.190 7.815 -4.004 1.00 0.00 C ATOM 1733 C TYR A 118 6.614 9.225 -3.954 1.00 0.00 C ATOM 1734 O TYR A 118 6.728 9.912 -2.952 1.00 0.00 O ATOM 1735 CB TYR A 118 6.261 6.766 -3.318 1.00 0.00 C ATOM 1736 CG TYR A 118 6.073 6.975 -1.808 1.00 0.00 C ATOM 1737 CD1 TYR A 118 6.954 6.390 -0.921 1.00 0.00 C ATOM 1738 CD2 TYR A 118 5.026 7.735 -1.315 1.00 0.00 C ATOM 1739 CE1 TYR A 118 6.796 6.554 0.436 1.00 0.00 C ATOM 1740 CE2 TYR A 118 4.872 7.895 0.049 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.758 7.305 0.918 1.00 0.00 C ATOM 1742 OH TYR A 118 5.594 7.491 2.268 1.00 0.00 O ATOM 0 H TYR A 118 8.621 8.399 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 118 7.289 7.557 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.284 6.794 -3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.672 5.770 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.776 5.798 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 118 4.330 8.202 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 118 7.491 6.090 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.053 8.485 0.433 1.00 0.00 H new ATOM 0 HH TYR A 118 4.638 7.557 2.475 1.00 0.00 H new ATOM 1752 N GLN A 119 6.006 9.622 -5.037 1.00 0.00 N ATOM 1753 CA GLN A 119 5.411 10.997 -5.089 1.00 0.00 C ATOM 1754 C GLN A 119 3.994 10.937 -5.707 1.00 0.00 C ATOM 1755 O GLN A 119 3.830 10.342 -6.763 1.00 0.00 O ATOM 1756 CB GLN A 119 6.390 11.874 -5.925 1.00 0.00 C ATOM 1757 CG GLN A 119 7.787 11.995 -5.183 1.00 0.00 C ATOM 1758 CD GLN A 119 7.644 12.725 -3.845 1.00 0.00 C ATOM 1759 OE1 GLN A 119 7.245 13.865 -3.797 1.00 0.00 O ATOM 1760 NE2 GLN A 119 7.933 12.159 -2.720 1.00 0.00 N ATOM 0 H GLN A 119 5.893 9.064 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 119 5.290 11.430 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.531 11.434 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.963 12.865 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.199 11.000 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.493 12.530 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.274 11.198 -2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 119 7.820 12.673 -1.846 1.00 0.00 H new ATOM 1769 N PHE A 120 3.011 11.511 -5.047 1.00 0.00 N ATOM 1770 CA PHE A 120 1.628 11.475 -5.631 1.00 0.00 C ATOM 1771 C PHE A 120 1.567 11.985 -7.095 1.00 0.00 C ATOM 1772 O PHE A 120 2.208 12.948 -7.475 1.00 0.00 O ATOM 1773 CB PHE A 120 0.754 12.303 -4.705 1.00 0.00 C ATOM 1774 CG PHE A 120 0.013 11.379 -3.720 1.00 0.00 C ATOM 1775 CD1 PHE A 120 0.688 10.508 -2.881 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.365 11.425 -3.662 1.00 0.00 C ATOM 1777 CE1 PHE A 120 -0.006 9.700 -1.999 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -2.061 10.621 -2.785 1.00 0.00 C ATOM 1779 CZ PHE A 120 -1.381 9.761 -1.954 1.00 0.00 C ATOM 0 H PHE A 120 3.102 11.991 -4.152 1.00 0.00 H new ATOM 0 HA PHE A 120 1.277 10.445 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.366 13.018 -4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.035 12.879 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 120 1.766 10.459 -2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.904 12.099 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.528 9.024 -1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.139 10.666 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.926 9.133 -1.265 1.00 0.00 H new ATOM 1789 N VAL A 121 0.768 11.294 -7.865 1.00 0.00 N ATOM 1790 CA VAL A 121 0.589 11.624 -9.306 1.00 0.00 C ATOM 1791 C VAL A 121 -0.894 11.487 -9.790 1.00 0.00 C ATOM 1792 O VAL A 121 -1.780 10.979 -9.123 1.00 0.00 O ATOM 1793 CB VAL A 121 1.627 10.660 -10.023 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.022 9.663 -11.029 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.709 11.477 -10.749 1.00 0.00 C ATOM 0 H VAL A 121 0.220 10.496 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 121 0.786 12.670 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 121 2.042 10.066 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.816 9.054 -11.460 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.308 9.018 -10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.513 10.210 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.412 10.800 -11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.241 12.114 -11.500 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.242 12.097 -10.028 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.113 11.992 -10.976 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.480 11.918 -11.571 1.00 0.00 C ATOM 1807 C ASP A 122 -2.561 10.596 -12.364 1.00 0.00 C ATOM 1808 O ASP A 122 -1.559 10.002 -12.730 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.685 13.124 -12.500 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.141 13.179 -12.968 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.933 13.504 -12.105 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.386 12.894 -14.127 1.00 0.00 O ATOM 0 H ASP A 122 -0.409 12.450 -11.555 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.256 11.941 -10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.427 14.045 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.020 13.049 -13.360 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.753 10.152 -12.620 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.865 8.879 -13.387 1.00 0.00 C ATOM 1819 C CYS A 123 -3.921 9.149 -14.885 1.00 0.00 C ATOM 1820 O CYS A 123 -3.507 8.308 -15.659 1.00 0.00 O ATOM 1821 CB CYS A 123 -5.111 8.145 -12.924 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.237 7.840 -11.147 1.00 0.00 S ATOM 0 H CYS A 123 -4.630 10.594 -12.345 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.985 8.263 -13.203 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.984 8.718 -13.237 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.157 7.187 -13.441 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.412 10.317 -15.191 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.579 10.797 -16.596 1.00 0.00 C ATOM 1829 C ARG A 124 -4.869 9.670 -17.635 1.00 0.00 C ATOM 1830 O ARG A 124 -4.231 9.609 -18.665 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.277 11.588 -16.913 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.560 12.600 -18.047 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.297 13.460 -18.286 1.00 0.00 C ATOM 1834 NE ARG A 124 -2.508 14.445 -19.427 1.00 0.00 N ATOM 1835 CZ ARG A 124 -3.572 14.465 -20.145 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -4.650 14.831 -19.578 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.490 14.123 -21.369 1.00 0.00 N ATOM 0 H ARG A 124 -4.719 10.992 -14.490 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.469 11.421 -16.678 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.929 12.110 -16.022 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.484 10.902 -17.211 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.834 12.073 -18.961 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.403 13.237 -17.781 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.046 14.003 -17.375 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.451 12.812 -18.514 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.771 15.120 -19.630 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.644 15.093 -18.592 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.520 14.862 -20.109 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.591 13.841 -21.761 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.323 14.132 -21.958 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.811 8.800 -17.324 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.178 7.686 -18.257 1.00 0.00 C ATOM 1853 C ASP A 125 -7.288 8.284 -19.166 1.00 0.00 C ATOM 1854 O ASP A 125 -6.943 8.637 -20.284 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.691 6.445 -17.395 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.707 5.117 -18.132 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.456 4.982 -19.321 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.988 4.194 -17.387 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.418 8.371 -18.695 1.00 0.00 O ATOM 0 H ASP A 125 -6.343 8.819 -16.454 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.349 7.319 -18.863 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.057 6.347 -16.513 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.699 6.659 -17.041 1.00 0.00 H new