USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -1.32 K(o=-3.9,f=-8.9!) USER MOD Set 1.2: A 119 GLN : amide:sc= -2.57 K(o=-3.9,f=-5.2!) USER MOD Set 2.1: A 71 ASN : amide:sc= 0.595 X(o=1.7,f=1.6) USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 GLU N :NH3+ -113:sc= -1.14 (180deg=-2.73!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -32:sc= -2.35! USER MOD Single : A 10 TYR OH : rot 44:sc= -1.95! USER MOD Single : A 11 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.62) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.702 K(o=-0.7,f=-0.03) USER MOD Single : A 19 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.12) USER MOD Single : A 28 SER OG : rot 53:sc= 0.763 USER MOD Single : A 30 TYR OH : rot -82:sc= 1.14 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 37 SER OG : rot -119:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.195 (180deg=-1.28!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 44 SER OG : rot -80:sc= 0.672 USER MOD Single : A 45 LYS NZ :NH3+ -101:sc= 0.0731! (180deg=-0.353) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0928 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0648 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 85 GLN : amide:sc= -8.07! C(o=-8.1!,f=-15!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 97 THR OG1 : rot 140:sc= -0.055 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 170:sc= -0.0633 USER MOD Single : A 105 ASN : amide:sc= -1.78 K(o=-1.8,f=-1) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 111 GLN : amide:sc= -1.01 K(o=-1,f=-4.6!) USER MOD Single : A 113 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 115 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.28) USER MOD Single : A 117 ASN : amide:sc= -4.07! C(o=-4.1!,f=-11!) USER MOD Single : A 118 TYR OH : rot -12:sc= 0.585 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.528 12.929 1.595 1.00 0.00 N ATOM 2 CA GLU A 1 3.037 13.094 0.183 1.00 0.00 C ATOM 3 C GLU A 1 4.206 12.710 -0.749 1.00 0.00 C ATOM 4 O GLU A 1 4.028 12.086 -1.780 1.00 0.00 O ATOM 5 CB GLU A 1 2.601 14.569 -0.017 1.00 0.00 C ATOM 6 CG GLU A 1 1.688 14.669 -1.268 1.00 0.00 C ATOM 7 CD GLU A 1 1.305 16.120 -1.513 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.219 16.792 -1.959 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.155 16.432 -1.238 1.00 0.00 O ATOM 0 H1 GLU A 1 3.017 12.146 2.051 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.546 12.719 1.586 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.361 13.808 2.126 1.00 0.00 H new ATOM 0 HA GLU A 1 2.178 12.460 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.069 14.926 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.477 15.206 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.205 14.268 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.791 14.066 -1.124 1.00 0.00 H new ATOM 18 N GLN A 2 5.371 13.137 -0.322 1.00 0.00 N ATOM 19 CA GLN A 2 6.637 12.870 -1.047 1.00 0.00 C ATOM 20 C GLN A 2 7.637 12.240 -0.042 1.00 0.00 C ATOM 21 O GLN A 2 8.091 12.909 0.869 1.00 0.00 O ATOM 22 CB GLN A 2 7.123 14.225 -1.602 1.00 0.00 C ATOM 23 CG GLN A 2 5.993 14.782 -2.545 1.00 0.00 C ATOM 24 CD GLN A 2 6.480 15.947 -3.397 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.537 15.907 -4.606 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.856 17.046 -2.842 1.00 0.00 N ATOM 0 H GLN A 2 5.491 13.680 0.533 1.00 0.00 H new ATOM 0 HA GLN A 2 6.524 12.173 -1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.323 14.923 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.056 14.102 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.637 13.982 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.144 15.105 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.830 17.139 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.180 17.823 -3.418 1.00 0.00 H new ATOM 35 N ALA A 3 7.936 10.978 -0.221 1.00 0.00 N ATOM 36 CA ALA A 3 8.896 10.265 0.681 1.00 0.00 C ATOM 37 C ALA A 3 10.001 9.648 -0.209 1.00 0.00 C ATOM 38 O ALA A 3 9.721 9.021 -1.220 1.00 0.00 O ATOM 39 CB ALA A 3 8.109 9.196 1.430 1.00 0.00 C ATOM 0 H ALA A 3 7.549 10.400 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 3 9.366 10.927 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.777 8.654 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.317 9.668 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.669 8.501 0.715 1.00 0.00 H new ATOM 45 N ASN A 4 11.224 9.844 0.201 1.00 0.00 N ATOM 46 CA ASN A 4 12.397 9.319 -0.555 1.00 0.00 C ATOM 47 C ASN A 4 13.253 8.385 0.359 1.00 0.00 C ATOM 48 O ASN A 4 13.013 8.320 1.546 1.00 0.00 O ATOM 49 CB ASN A 4 13.102 10.616 -1.057 1.00 0.00 C ATOM 50 CG ASN A 4 12.079 11.554 -1.760 1.00 0.00 C ATOM 51 OD1 ASN A 4 11.092 12.006 -1.216 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.240 11.912 -2.989 1.00 0.00 N ATOM 0 H ASN A 4 11.465 10.358 1.048 1.00 0.00 H new ATOM 0 HA ASN A 4 12.162 8.674 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.563 11.135 -0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.903 10.357 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.562 12.532 -3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.045 11.575 -3.517 1.00 0.00 H new ATOM 59 N ASP A 5 14.214 7.705 -0.211 1.00 0.00 N ATOM 60 CA ASP A 5 15.124 6.747 0.518 1.00 0.00 C ATOM 61 C ASP A 5 14.422 6.017 1.704 1.00 0.00 C ATOM 62 O ASP A 5 14.850 5.990 2.846 1.00 0.00 O ATOM 63 CB ASP A 5 16.370 7.582 0.969 1.00 0.00 C ATOM 64 CG ASP A 5 17.205 7.998 -0.244 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.244 7.221 -1.188 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.767 9.073 -0.145 1.00 0.00 O ATOM 0 H ASP A 5 14.421 7.775 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 5 15.424 5.932 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.043 8.468 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.981 6.994 1.654 1.00 0.00 H new ATOM 71 N VAL A 6 13.321 5.415 1.317 1.00 0.00 N ATOM 72 CA VAL A 6 12.486 4.662 2.296 1.00 0.00 C ATOM 73 C VAL A 6 12.602 3.145 2.067 1.00 0.00 C ATOM 74 O VAL A 6 12.748 2.664 0.956 1.00 0.00 O ATOM 75 CB VAL A 6 10.990 5.052 2.135 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.170 4.714 3.411 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.766 6.532 1.841 1.00 0.00 C ATOM 0 H VAL A 6 12.967 5.415 0.360 1.00 0.00 H new ATOM 0 HA VAL A 6 12.845 4.914 3.294 1.00 0.00 H new ATOM 0 HB VAL A 6 10.654 4.466 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.129 5.001 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.227 3.643 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.578 5.261 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.698 6.726 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.169 7.130 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.271 6.799 0.912 1.00 0.00 H new ATOM 87 N ARG A 7 12.512 2.428 3.151 1.00 0.00 N ATOM 88 CA ARG A 7 12.595 0.946 3.081 1.00 0.00 C ATOM 89 C ARG A 7 11.126 0.549 2.892 1.00 0.00 C ATOM 90 O ARG A 7 10.337 0.499 3.819 1.00 0.00 O ATOM 91 CB ARG A 7 13.229 0.471 4.406 1.00 0.00 C ATOM 92 CG ARG A 7 14.744 0.801 4.294 1.00 0.00 C ATOM 93 CD ARG A 7 15.482 0.491 5.594 1.00 0.00 C ATOM 94 NE ARG A 7 14.966 1.457 6.627 1.00 0.00 N ATOM 95 CZ ARG A 7 15.544 2.579 6.828 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.672 2.569 7.426 1.00 0.00 N ATOM 97 NH2 ARG A 7 14.948 3.630 6.418 1.00 0.00 N ATOM 0 H ARG A 7 12.384 2.809 4.088 1.00 0.00 H new ATOM 0 HA ARG A 7 13.205 0.510 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.780 0.980 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.072 -0.597 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.183 0.226 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.870 1.855 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.303 -0.539 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.558 0.603 5.464 1.00 0.00 H new ATOM 0 HE ARG A 7 14.142 1.212 7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.082 1.685 7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.163 3.445 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.045 3.554 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.375 4.546 6.558 1.00 0.00 H new ATOM 111 N ALA A 8 10.828 0.291 1.652 1.00 0.00 N ATOM 112 CA ALA A 8 9.463 -0.098 1.260 1.00 0.00 C ATOM 113 C ALA A 8 9.437 -1.614 1.326 1.00 0.00 C ATOM 114 O ALA A 8 10.119 -2.321 0.607 1.00 0.00 O ATOM 115 CB ALA A 8 9.198 0.448 -0.168 1.00 0.00 C ATOM 0 H ALA A 8 11.495 0.337 0.881 1.00 0.00 H new ATOM 0 HA ALA A 8 8.683 0.306 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.191 0.172 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.293 1.534 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.923 0.022 -0.861 1.00 0.00 H new ATOM 121 N THR A 9 8.638 -2.047 2.246 1.00 0.00 N ATOM 122 CA THR A 9 8.485 -3.511 2.438 1.00 0.00 C ATOM 123 C THR A 9 7.364 -3.778 1.405 1.00 0.00 C ATOM 124 O THR A 9 7.454 -3.280 0.298 1.00 0.00 O ATOM 125 CB THR A 9 8.063 -3.767 3.928 1.00 0.00 C ATOM 126 OG1 THR A 9 6.730 -3.296 4.002 1.00 0.00 O ATOM 127 CG2 THR A 9 8.716 -2.819 4.961 1.00 0.00 C ATOM 0 H THR A 9 8.086 -1.460 2.871 1.00 0.00 H new ATOM 0 HA THR A 9 9.357 -4.148 2.289 1.00 0.00 H new ATOM 0 HB THR A 9 8.299 -4.809 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.616 -2.540 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.364 -3.073 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.800 -2.927 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.445 -1.789 4.731 1.00 0.00 H new ATOM 135 N TYR A 10 6.366 -4.537 1.734 1.00 0.00 N ATOM 136 CA TYR A 10 5.259 -4.804 0.751 1.00 0.00 C ATOM 137 C TYR A 10 4.002 -5.269 1.459 1.00 0.00 C ATOM 138 O TYR A 10 3.925 -6.433 1.804 1.00 0.00 O ATOM 139 CB TYR A 10 5.610 -5.914 -0.331 1.00 0.00 C ATOM 140 CG TYR A 10 6.968 -6.541 -0.111 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.174 -7.375 0.961 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.993 -6.261 -0.978 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.413 -7.932 1.172 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.232 -6.815 -0.772 1.00 0.00 C ATOM 145 CZ TYR A 10 9.452 -7.651 0.302 1.00 0.00 C ATOM 146 OH TYR A 10 10.698 -8.189 0.508 1.00 0.00 O ATOM 0 H TYR A 10 6.257 -4.991 2.641 1.00 0.00 H new ATOM 0 HA TYR A 10 5.112 -3.850 0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.848 -6.693 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.578 -5.468 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.362 -7.593 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.826 -5.606 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.575 -8.587 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.039 -6.595 -1.455 1.00 0.00 H new ATOM 0 HH TYR A 10 10.610 -9.135 0.747 1.00 0.00 H new ATOM 156 N HIS A 11 3.041 -4.417 1.720 1.00 0.00 N ATOM 157 CA HIS A 11 1.844 -5.053 2.408 1.00 0.00 C ATOM 158 C HIS A 11 1.067 -5.713 1.263 1.00 0.00 C ATOM 159 O HIS A 11 0.882 -5.122 0.219 1.00 0.00 O ATOM 160 CB HIS A 11 0.804 -4.094 3.088 1.00 0.00 C ATOM 161 CG HIS A 11 -0.315 -5.026 3.578 1.00 0.00 C ATOM 162 ND1 HIS A 11 -0.181 -5.986 4.440 1.00 0.00 N ATOM 163 CD2 HIS A 11 -1.645 -5.063 3.221 1.00 0.00 C ATOM 164 CE1 HIS A 11 -1.330 -6.571 4.603 1.00 0.00 C ATOM 165 NE2 HIS A 11 -2.263 -6.028 3.865 1.00 0.00 N ATOM 0 H HIS A 11 3.011 -3.417 1.520 1.00 0.00 H new ATOM 0 HA HIS A 11 2.242 -5.678 3.207 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.253 -3.544 3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.425 -3.355 2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.113 -4.395 2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.495 -7.406 5.268 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.246 -6.293 3.803 1.00 0.00 H new ATOM 173 N TYR A 12 0.666 -6.911 1.593 1.00 0.00 N ATOM 174 CA TYR A 12 -0.108 -7.813 0.693 1.00 0.00 C ATOM 175 C TYR A 12 -1.630 -7.971 0.996 1.00 0.00 C ATOM 176 O TYR A 12 -2.116 -8.935 1.566 1.00 0.00 O ATOM 177 CB TYR A 12 0.627 -9.207 0.722 1.00 0.00 C ATOM 178 CG TYR A 12 1.502 -9.407 1.976 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.819 -8.981 1.981 1.00 0.00 C ATOM 180 CD2 TYR A 12 0.991 -10.014 3.100 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.620 -9.161 3.097 1.00 0.00 C ATOM 182 CE2 TYR A 12 1.786 -10.194 4.215 1.00 0.00 C ATOM 183 CZ TYR A 12 3.096 -9.773 4.220 1.00 0.00 C ATOM 184 OH TYR A 12 3.853 -9.981 5.355 1.00 0.00 O ATOM 0 H TYR A 12 0.857 -7.323 2.506 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.120 -7.352 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.116 -10.003 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.251 -9.300 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.228 -8.502 1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.035 -10.351 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.647 -8.825 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.375 -10.670 5.093 1.00 0.00 H new ATOM 0 HH TYR A 12 3.306 -10.424 6.036 1.00 0.00 H new ATOM 194 N TYR A 13 -2.372 -6.970 0.598 1.00 0.00 N ATOM 195 CA TYR A 13 -3.857 -7.030 0.832 1.00 0.00 C ATOM 196 C TYR A 13 -4.552 -7.898 -0.258 1.00 0.00 C ATOM 197 O TYR A 13 -4.431 -7.565 -1.412 1.00 0.00 O ATOM 198 CB TYR A 13 -4.446 -5.608 0.769 1.00 0.00 C ATOM 199 CG TYR A 13 -5.514 -5.484 1.840 1.00 0.00 C ATOM 200 CD1 TYR A 13 -6.675 -6.233 1.797 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.290 -4.625 2.887 1.00 0.00 C ATOM 202 CE1 TYR A 13 -7.596 -6.117 2.814 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.206 -4.509 3.896 1.00 0.00 C ATOM 204 CZ TYR A 13 -7.356 -5.255 3.863 1.00 0.00 C ATOM 205 OH TYR A 13 -8.258 -5.160 4.889 1.00 0.00 O ATOM 0 H TYR A 13 -2.030 -6.130 0.131 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.030 -7.474 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.663 -4.866 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.873 -5.417 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.858 -6.905 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.385 -4.037 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.505 -6.700 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.024 -3.831 4.717 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.937 -4.509 5.547 1.00 0.00 H new ATOM 215 N ARG A 14 -5.227 -8.947 0.139 1.00 0.00 N ATOM 216 CA ARG A 14 -5.988 -9.928 -0.757 1.00 0.00 C ATOM 217 C ARG A 14 -5.995 -9.728 -2.320 1.00 0.00 C ATOM 218 O ARG A 14 -6.825 -8.973 -2.790 1.00 0.00 O ATOM 219 CB ARG A 14 -7.490 -9.961 -0.291 1.00 0.00 C ATOM 220 CG ARG A 14 -7.789 -10.563 1.122 1.00 0.00 C ATOM 221 CD ARG A 14 -6.961 -9.832 2.151 1.00 0.00 C ATOM 222 NE ARG A 14 -7.442 -10.100 3.548 1.00 0.00 N ATOM 223 CZ ARG A 14 -6.668 -10.719 4.388 1.00 0.00 C ATOM 224 NH1 ARG A 14 -5.417 -10.468 4.334 1.00 0.00 N ATOM 225 NH2 ARG A 14 -7.125 -11.550 5.237 1.00 0.00 N ATOM 0 H ARG A 14 -5.295 -9.195 1.126 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.419 -10.847 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.872 -8.940 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.059 -10.529 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.850 -10.468 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.554 -11.627 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.918 -10.136 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.998 -8.761 1.953 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.372 -9.797 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.060 -9.802 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.775 -10.933 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.125 -11.746 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.491 -12.020 5.883 1.00 0.00 H new ATOM 239 N PRO A 15 -5.140 -10.373 -3.096 1.00 0.00 N ATOM 240 CA PRO A 15 -5.163 -10.261 -4.592 1.00 0.00 C ATOM 241 C PRO A 15 -5.941 -11.306 -5.460 1.00 0.00 C ATOM 242 O PRO A 15 -6.743 -12.097 -4.994 1.00 0.00 O ATOM 243 CB PRO A 15 -3.703 -10.228 -4.899 1.00 0.00 C ATOM 244 CG PRO A 15 -3.141 -11.328 -3.944 1.00 0.00 C ATOM 245 CD PRO A 15 -4.019 -11.245 -2.646 1.00 0.00 C ATOM 0 HA PRO A 15 -5.760 -9.395 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.502 -10.456 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.266 -9.250 -4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.208 -12.316 -4.401 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.089 -11.152 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.367 -12.226 -2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.473 -10.810 -1.809 1.00 0.00 H new ATOM 253 N ALA A 16 -5.648 -11.223 -6.747 1.00 0.00 N ATOM 254 CA ALA A 16 -6.199 -12.058 -7.867 1.00 0.00 C ATOM 255 C ALA A 16 -6.622 -13.515 -7.496 1.00 0.00 C ATOM 256 O ALA A 16 -7.381 -14.132 -8.217 1.00 0.00 O ATOM 257 CB ALA A 16 -5.100 -11.950 -8.997 1.00 0.00 C ATOM 0 H ALA A 16 -4.978 -10.534 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.168 -11.681 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.412 -12.531 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.976 -10.906 -9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.153 -12.338 -8.622 1.00 0.00 H new ATOM 263 N GLN A 17 -6.122 -14.019 -6.391 1.00 0.00 N ATOM 264 CA GLN A 17 -6.445 -15.400 -5.891 1.00 0.00 C ATOM 265 C GLN A 17 -7.994 -15.568 -5.967 1.00 0.00 C ATOM 266 O GLN A 17 -8.499 -16.540 -6.486 1.00 0.00 O ATOM 267 CB GLN A 17 -5.897 -15.485 -4.452 1.00 0.00 C ATOM 268 CG GLN A 17 -5.892 -16.963 -3.995 1.00 0.00 C ATOM 269 CD GLN A 17 -5.515 -17.063 -2.524 1.00 0.00 C ATOM 270 OE1 GLN A 17 -4.457 -16.683 -2.082 1.00 0.00 O ATOM 271 NE2 GLN A 17 -6.359 -17.574 -1.695 1.00 0.00 N ATOM 0 H GLN A 17 -5.476 -13.508 -5.789 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.996 -16.202 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.888 -15.076 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.512 -14.886 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.876 -17.403 -4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.186 -17.534 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.264 -17.907 -2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.122 -17.646 -0.705 1.00 0.00 H new ATOM 280 N ASN A 18 -8.705 -14.598 -5.435 1.00 0.00 N ATOM 281 CA ASN A 18 -10.214 -14.593 -5.443 1.00 0.00 C ATOM 282 C ASN A 18 -10.433 -13.388 -6.420 1.00 0.00 C ATOM 283 O ASN A 18 -11.120 -12.430 -6.134 1.00 0.00 O ATOM 284 CB ASN A 18 -10.767 -14.254 -4.016 1.00 0.00 C ATOM 285 CG ASN A 18 -12.226 -14.698 -3.743 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.879 -14.175 -2.874 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.824 -15.641 -4.395 1.00 0.00 N ATOM 0 H ASN A 18 -8.292 -13.783 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.698 -15.529 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.119 -14.720 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.699 -13.177 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.783 -15.895 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.336 -16.131 -5.145 1.00 0.00 H new ATOM 294 N ASN A 19 -9.789 -13.510 -7.563 1.00 0.00 N ATOM 295 CA ASN A 19 -9.818 -12.493 -8.675 1.00 0.00 C ATOM 296 C ASN A 19 -9.867 -11.043 -8.086 1.00 0.00 C ATOM 297 O ASN A 19 -10.609 -10.182 -8.527 1.00 0.00 O ATOM 298 CB ASN A 19 -11.036 -12.935 -9.482 1.00 0.00 C ATOM 299 CG ASN A 19 -11.271 -12.089 -10.696 1.00 0.00 C ATOM 300 OD1 ASN A 19 -10.661 -12.199 -11.736 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.185 -11.191 -10.614 1.00 0.00 N ATOM 0 H ASN A 19 -9.211 -14.322 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.935 -12.451 -9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.905 -13.973 -9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.920 -12.900 -8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.383 -10.590 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.713 -11.078 -9.749 1.00 0.00 H new ATOM 308 N TRP A 20 -9.008 -10.898 -7.091 1.00 0.00 N ATOM 309 CA TRP A 20 -8.756 -9.685 -6.254 1.00 0.00 C ATOM 310 C TRP A 20 -10.031 -8.813 -6.099 1.00 0.00 C ATOM 311 O TRP A 20 -10.041 -7.596 -6.118 1.00 0.00 O ATOM 312 CB TRP A 20 -7.541 -8.830 -6.829 1.00 0.00 C ATOM 313 CG TRP A 20 -7.406 -8.317 -8.278 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.319 -8.285 -9.282 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.236 -7.778 -8.724 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.640 -7.727 -10.282 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.388 -7.392 -10.026 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.010 -7.526 -8.108 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.347 -6.786 -10.677 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -3.996 -6.904 -8.809 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.169 -6.543 -10.085 1.00 0.00 C ATOM 0 H TRP A 20 -8.410 -11.674 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.481 -10.033 -5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -7.476 -7.946 -6.195 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -6.647 -9.424 -6.641 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.343 -8.628 -9.272 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.063 -7.567 -11.196 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.854 -7.818 -7.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.480 -6.492 -11.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.053 -6.707 -8.321 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.371 -6.062 -10.631 1.00 0.00 H new ATOM 332 N ASP A 21 -11.131 -9.505 -5.943 1.00 0.00 N ATOM 333 CA ASP A 21 -12.417 -8.788 -5.781 1.00 0.00 C ATOM 334 C ASP A 21 -12.438 -7.788 -4.587 1.00 0.00 C ATOM 335 O ASP A 21 -12.691 -8.113 -3.446 1.00 0.00 O ATOM 336 CB ASP A 21 -13.507 -9.891 -5.670 1.00 0.00 C ATOM 337 CG ASP A 21 -14.872 -9.216 -5.602 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.186 -8.713 -4.543 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.519 -9.230 -6.631 1.00 0.00 O ATOM 0 H ASP A 21 -11.188 -10.523 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.598 -8.139 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.458 -10.560 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.341 -10.500 -4.781 1.00 0.00 H new ATOM 344 N LEU A 22 -12.125 -6.552 -4.885 1.00 0.00 N ATOM 345 CA LEU A 22 -12.113 -5.450 -3.878 1.00 0.00 C ATOM 346 C LEU A 22 -13.391 -5.424 -3.036 1.00 0.00 C ATOM 347 O LEU A 22 -13.384 -4.832 -1.975 1.00 0.00 O ATOM 348 CB LEU A 22 -11.993 -4.084 -4.581 1.00 0.00 C ATOM 349 CG LEU A 22 -10.701 -3.900 -5.378 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.718 -2.438 -5.844 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.506 -4.070 -4.459 1.00 0.00 C ATOM 0 H LEU A 22 -11.867 -6.252 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.257 -5.635 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.842 -3.958 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.060 -3.295 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.633 -4.616 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.819 -2.231 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.598 -2.264 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.749 -1.780 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.587 -3.938 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.550 -3.325 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.522 -5.068 -4.022 1.00 0.00 H new ATOM 363 N GLY A 23 -14.430 -6.054 -3.532 1.00 0.00 N ATOM 364 CA GLY A 23 -15.735 -6.084 -2.785 1.00 0.00 C ATOM 365 C GLY A 23 -15.966 -7.405 -2.055 1.00 0.00 C ATOM 366 O GLY A 23 -17.086 -7.730 -1.708 1.00 0.00 O ATOM 0 H GLY A 23 -14.433 -6.550 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.755 -5.267 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.553 -5.912 -3.484 1.00 0.00 H new ATOM 370 N ALA A 24 -14.904 -8.138 -1.835 1.00 0.00 N ATOM 371 CA ALA A 24 -15.032 -9.439 -1.122 1.00 0.00 C ATOM 372 C ALA A 24 -15.017 -9.123 0.400 1.00 0.00 C ATOM 373 O ALA A 24 -14.299 -8.237 0.845 1.00 0.00 O ATOM 374 CB ALA A 24 -13.826 -10.351 -1.530 1.00 0.00 C ATOM 0 H ALA A 24 -13.956 -7.890 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.952 -9.965 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.904 -11.309 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.842 -10.515 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.891 -9.865 -1.251 1.00 0.00 H new ATOM 380 N PRO A 25 -15.808 -9.852 1.162 1.00 0.00 N ATOM 381 CA PRO A 25 -15.978 -9.645 2.635 1.00 0.00 C ATOM 382 C PRO A 25 -14.691 -9.335 3.422 1.00 0.00 C ATOM 383 O PRO A 25 -14.706 -8.569 4.359 1.00 0.00 O ATOM 384 CB PRO A 25 -16.656 -10.929 3.168 1.00 0.00 C ATOM 385 CG PRO A 25 -16.857 -11.861 1.946 1.00 0.00 C ATOM 386 CD PRO A 25 -16.649 -10.992 0.684 1.00 0.00 C ATOM 0 HA PRO A 25 -16.576 -8.746 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.036 -11.410 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.611 -10.696 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.146 -12.687 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.855 -12.299 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.150 -11.551 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.599 -10.644 0.278 1.00 0.00 H new ATOM 394 N ALA A 26 -13.608 -9.948 3.020 1.00 0.00 N ATOM 395 CA ALA A 26 -12.288 -9.740 3.712 1.00 0.00 C ATOM 396 C ALA A 26 -11.442 -8.553 3.181 1.00 0.00 C ATOM 397 O ALA A 26 -10.282 -8.415 3.542 1.00 0.00 O ATOM 398 CB ALA A 26 -11.507 -11.066 3.576 1.00 0.00 C ATOM 0 H ALA A 26 -13.576 -10.594 2.231 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.490 -9.471 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.537 -10.969 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.071 -11.871 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.361 -11.296 2.521 1.00 0.00 H new ATOM 404 N VAL A 27 -12.051 -7.768 2.332 1.00 0.00 N ATOM 405 CA VAL A 27 -11.367 -6.578 1.743 1.00 0.00 C ATOM 406 C VAL A 27 -12.221 -5.319 1.831 1.00 0.00 C ATOM 407 O VAL A 27 -11.926 -4.348 2.502 1.00 0.00 O ATOM 408 CB VAL A 27 -11.066 -6.790 0.242 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.206 -5.621 -0.302 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.322 -8.084 0.037 1.00 0.00 C ATOM 0 H VAL A 27 -13.011 -7.904 2.016 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.450 -6.458 2.321 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.014 -6.826 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.001 -5.782 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.746 -4.683 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.266 -5.575 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.116 -8.221 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.382 -8.054 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.929 -8.914 0.399 1.00 0.00 H new ATOM 420 N SER A 28 -13.314 -5.478 1.116 1.00 0.00 N ATOM 421 CA SER A 28 -14.392 -4.462 0.904 1.00 0.00 C ATOM 422 C SER A 28 -13.705 -3.090 0.960 1.00 0.00 C ATOM 423 O SER A 28 -13.873 -2.299 1.865 1.00 0.00 O ATOM 424 CB SER A 28 -15.487 -4.605 2.018 1.00 0.00 C ATOM 425 OG SER A 28 -14.809 -4.362 3.247 1.00 0.00 O ATOM 0 H SER A 28 -13.511 -6.354 0.631 1.00 0.00 H new ATOM 0 HA SER A 28 -14.898 -4.595 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.296 -3.890 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.933 -5.599 2.005 1.00 0.00 H new ATOM 0 HG SER A 28 -14.333 -3.507 3.194 1.00 0.00 H new ATOM 431 N ALA A 29 -12.946 -2.885 -0.078 1.00 0.00 N ATOM 432 CA ALA A 29 -12.149 -1.633 -0.250 1.00 0.00 C ATOM 433 C ALA A 29 -12.874 -0.326 -0.611 1.00 0.00 C ATOM 434 O ALA A 29 -13.825 -0.337 -1.367 1.00 0.00 O ATOM 435 CB ALA A 29 -11.122 -1.955 -1.313 1.00 0.00 C ATOM 0 H ALA A 29 -12.840 -3.554 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.757 -1.392 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.498 -1.080 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.498 -2.783 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.629 -2.235 -2.236 1.00 0.00 H new ATOM 441 N TYR A 30 -12.377 0.756 -0.058 1.00 0.00 N ATOM 442 CA TYR A 30 -12.955 2.122 -0.307 1.00 0.00 C ATOM 443 C TYR A 30 -13.774 2.376 -1.556 1.00 0.00 C ATOM 444 O TYR A 30 -14.970 2.546 -1.483 1.00 0.00 O ATOM 445 CB TYR A 30 -11.833 3.156 -0.331 1.00 0.00 C ATOM 446 CG TYR A 30 -11.930 4.270 0.708 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.629 5.385 0.297 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.375 4.246 1.967 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.780 6.474 1.118 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.530 5.353 2.795 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.230 6.464 2.368 1.00 0.00 C ATOM 452 OH TYR A 30 -12.364 7.569 3.175 1.00 0.00 O ATOM 0 H TYR A 30 -11.575 0.751 0.572 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.663 2.199 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.884 2.637 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.805 3.611 -1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.066 5.402 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.827 3.380 2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.332 7.337 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.097 5.343 3.784 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.680 8.230 2.941 1.00 0.00 H new ATOM 462 N CYS A 31 -13.097 2.386 -2.673 1.00 0.00 N ATOM 463 CA CYS A 31 -13.776 2.636 -3.967 1.00 0.00 C ATOM 464 C CYS A 31 -14.406 1.402 -4.583 1.00 0.00 C ATOM 465 O CYS A 31 -15.021 1.556 -5.610 1.00 0.00 O ATOM 466 CB CYS A 31 -12.765 3.210 -4.978 1.00 0.00 C ATOM 467 SG CYS A 31 -11.561 4.470 -4.510 1.00 0.00 S ATOM 0 H CYS A 31 -12.091 2.229 -2.740 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.581 3.338 -3.749 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.200 2.365 -5.373 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.345 3.620 -5.805 1.00 0.00 H new ATOM 472 N ALA A 32 -14.296 0.219 -4.020 1.00 0.00 N ATOM 473 CA ALA A 32 -14.923 -1.003 -4.645 1.00 0.00 C ATOM 474 C ALA A 32 -16.292 -0.655 -5.277 1.00 0.00 C ATOM 475 O ALA A 32 -16.485 -0.815 -6.465 1.00 0.00 O ATOM 476 CB ALA A 32 -15.052 -2.094 -3.531 1.00 0.00 C ATOM 0 H ALA A 32 -13.796 0.043 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.301 -1.384 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.503 -2.992 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.063 -2.334 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.680 -1.717 -2.724 1.00 0.00 H new ATOM 482 N THR A 33 -17.158 -0.189 -4.415 1.00 0.00 N ATOM 483 CA THR A 33 -18.569 0.246 -4.727 1.00 0.00 C ATOM 484 C THR A 33 -18.712 0.962 -6.086 1.00 0.00 C ATOM 485 O THR A 33 -19.748 0.946 -6.726 1.00 0.00 O ATOM 486 CB THR A 33 -18.996 1.154 -3.553 1.00 0.00 C ATOM 487 OG1 THR A 33 -19.055 0.243 -2.466 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.423 1.677 -3.605 1.00 0.00 C ATOM 0 H THR A 33 -16.928 -0.083 -3.427 1.00 0.00 H new ATOM 0 HA THR A 33 -19.215 -0.626 -4.825 1.00 0.00 H new ATOM 0 HB THR A 33 -18.318 2.007 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.320 0.721 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.613 2.302 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.562 2.267 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.118 0.838 -3.608 1.00 0.00 H new ATOM 496 N TRP A 34 -17.608 1.566 -6.450 1.00 0.00 N ATOM 497 CA TRP A 34 -17.397 2.357 -7.704 1.00 0.00 C ATOM 498 C TRP A 34 -16.421 1.734 -8.721 1.00 0.00 C ATOM 499 O TRP A 34 -16.788 1.635 -9.871 1.00 0.00 O ATOM 500 CB TRP A 34 -16.912 3.734 -7.250 1.00 0.00 C ATOM 501 CG TRP A 34 -18.035 4.349 -6.422 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.341 4.402 -6.805 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.898 4.905 -5.205 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.910 4.991 -5.776 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.124 5.331 -4.765 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.774 5.081 -4.424 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.237 5.936 -3.532 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.876 5.690 -3.179 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.118 6.116 -2.739 1.00 0.00 C ATOM 0 H TRP A 34 -16.770 1.536 -5.870 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.337 2.394 -8.255 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.000 3.647 -6.659 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.677 4.363 -8.109 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.794 4.050 -7.720 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.913 5.178 -5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.812 4.744 -4.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.203 6.271 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.999 5.829 -2.564 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.213 6.590 -1.773 1.00 0.00 H new ATOM 520 N ASP A 35 -15.249 1.306 -8.332 1.00 0.00 N ATOM 521 CA ASP A 35 -14.267 0.698 -9.304 1.00 0.00 C ATOM 522 C ASP A 35 -14.576 -0.759 -9.625 1.00 0.00 C ATOM 523 O ASP A 35 -14.482 -1.152 -10.772 1.00 0.00 O ATOM 524 CB ASP A 35 -12.863 0.736 -8.708 1.00 0.00 C ATOM 525 CG ASP A 35 -12.304 2.136 -8.608 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.000 2.979 -8.080 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.187 2.275 -9.054 1.00 0.00 O ATOM 0 H ASP A 35 -14.917 1.349 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.341 1.285 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.883 0.287 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.197 0.127 -9.320 1.00 0.00 H new ATOM 532 N ALA A 36 -14.933 -1.507 -8.609 1.00 0.00 N ATOM 533 CA ALA A 36 -15.271 -2.967 -8.773 1.00 0.00 C ATOM 534 C ALA A 36 -16.290 -3.190 -9.900 1.00 0.00 C ATOM 535 O ALA A 36 -16.342 -4.241 -10.504 1.00 0.00 O ATOM 536 CB ALA A 36 -15.841 -3.483 -7.449 1.00 0.00 C ATOM 0 H ALA A 36 -15.007 -1.165 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.365 -3.510 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.092 -4.539 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.099 -3.359 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.739 -2.919 -7.195 1.00 0.00 H new ATOM 542 N SER A 37 -17.063 -2.152 -10.101 1.00 0.00 N ATOM 543 CA SER A 37 -18.144 -2.105 -11.146 1.00 0.00 C ATOM 544 C SER A 37 -17.575 -2.235 -12.558 1.00 0.00 C ATOM 545 O SER A 37 -18.254 -2.693 -13.457 1.00 0.00 O ATOM 546 CB SER A 37 -18.911 -0.769 -11.077 1.00 0.00 C ATOM 547 OG SER A 37 -18.039 0.165 -11.714 1.00 0.00 O ATOM 0 H SER A 37 -16.987 -1.292 -9.558 1.00 0.00 H new ATOM 0 HA SER A 37 -18.808 -2.944 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.870 -0.833 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.119 -0.481 -10.046 1.00 0.00 H new ATOM 0 HG SER A 37 -17.794 0.870 -11.079 1.00 0.00 H new ATOM 553 N LYS A 38 -16.344 -1.829 -12.724 1.00 0.00 N ATOM 554 CA LYS A 38 -15.702 -1.911 -14.065 1.00 0.00 C ATOM 555 C LYS A 38 -15.098 -3.303 -14.333 1.00 0.00 C ATOM 556 O LYS A 38 -14.572 -3.946 -13.439 1.00 0.00 O ATOM 557 CB LYS A 38 -14.617 -0.829 -14.101 1.00 0.00 C ATOM 558 CG LYS A 38 -15.250 0.576 -14.102 1.00 0.00 C ATOM 559 CD LYS A 38 -15.499 0.992 -15.585 1.00 0.00 C ATOM 560 CE LYS A 38 -15.843 2.473 -15.685 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.687 3.236 -15.110 1.00 0.00 N ATOM 0 H LYS A 38 -15.755 -1.443 -11.986 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.445 -1.753 -14.846 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.960 -0.937 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.999 -0.956 -14.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.187 0.572 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.590 1.291 -13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.611 0.780 -16.180 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.312 0.397 -16.002 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.015 2.759 -16.723 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.760 2.693 -15.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.635 4.174 -15.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.820 3.346 -14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.804 2.717 -15.291 1.00 0.00 H new ATOM 575 N PRO A 39 -15.164 -3.758 -15.564 1.00 0.00 N ATOM 576 CA PRO A 39 -14.434 -4.989 -15.938 1.00 0.00 C ATOM 577 C PRO A 39 -12.951 -4.896 -15.493 1.00 0.00 C ATOM 578 O PRO A 39 -12.344 -3.841 -15.366 1.00 0.00 O ATOM 579 CB PRO A 39 -14.681 -5.087 -17.475 1.00 0.00 C ATOM 580 CG PRO A 39 -14.994 -3.619 -17.872 1.00 0.00 C ATOM 581 CD PRO A 39 -15.897 -3.166 -16.725 1.00 0.00 C ATOM 0 HA PRO A 39 -14.769 -5.903 -15.447 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.806 -5.470 -18.001 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.511 -5.754 -17.709 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.090 -3.014 -17.943 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.497 -3.556 -18.837 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.974 -2.081 -16.659 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.912 -3.552 -16.817 1.00 0.00 H new ATOM 589 N LEU A 40 -12.410 -6.060 -15.253 1.00 0.00 N ATOM 590 CA LEU A 40 -11.008 -6.224 -14.814 1.00 0.00 C ATOM 591 C LEU A 40 -10.019 -5.351 -15.608 1.00 0.00 C ATOM 592 O LEU A 40 -9.018 -4.925 -15.074 1.00 0.00 O ATOM 593 CB LEU A 40 -10.743 -7.737 -14.932 1.00 0.00 C ATOM 594 CG LEU A 40 -11.286 -8.570 -13.714 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.583 -8.186 -12.399 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.813 -8.466 -13.546 1.00 0.00 C ATOM 0 H LEU A 40 -12.915 -6.941 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.854 -5.875 -13.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.203 -8.107 -15.848 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.670 -7.903 -15.025 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.053 -9.609 -13.945 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.987 -8.784 -11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.513 -8.372 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.751 -7.129 -12.192 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.126 -9.062 -12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.091 -7.425 -13.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.304 -8.837 -14.445 1.00 0.00 H new ATOM 608 N SER A 41 -10.356 -5.118 -16.853 1.00 0.00 N ATOM 609 CA SER A 41 -9.541 -4.305 -17.794 1.00 0.00 C ATOM 610 C SER A 41 -8.897 -3.079 -17.130 1.00 0.00 C ATOM 611 O SER A 41 -7.738 -3.089 -16.784 1.00 0.00 O ATOM 612 CB SER A 41 -10.496 -3.914 -18.947 1.00 0.00 C ATOM 613 OG SER A 41 -10.972 -5.153 -19.470 1.00 0.00 O ATOM 0 H SER A 41 -11.212 -5.482 -17.271 1.00 0.00 H new ATOM 0 HA SER A 41 -8.690 -4.880 -18.159 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.318 -3.296 -18.586 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.976 -3.337 -19.712 1.00 0.00 H new ATOM 0 HG SER A 41 -11.590 -4.980 -20.211 1.00 0.00 H new ATOM 619 N TRP A 42 -9.663 -2.041 -16.929 1.00 0.00 N ATOM 620 CA TRP A 42 -9.052 -0.818 -16.290 1.00 0.00 C ATOM 621 C TRP A 42 -8.480 -1.202 -14.910 1.00 0.00 C ATOM 622 O TRP A 42 -7.347 -0.860 -14.604 1.00 0.00 O ATOM 623 CB TRP A 42 -10.147 0.250 -16.193 1.00 0.00 C ATOM 624 CG TRP A 42 -9.594 1.564 -15.626 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.886 2.501 -16.319 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.752 1.986 -14.364 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.661 3.441 -15.415 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.152 3.217 -14.198 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.403 1.359 -13.315 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.221 3.818 -12.958 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.463 1.964 -12.085 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.874 3.194 -11.906 1.00 0.00 C ATOM 0 H TRP A 42 -10.653 -1.976 -17.167 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.227 -0.418 -16.879 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.573 0.428 -17.180 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.955 -0.111 -15.557 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.582 2.481 -17.355 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.141 4.289 -15.638 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.864 0.394 -13.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.762 4.784 -12.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.969 1.478 -11.264 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.920 3.676 -10.941 1.00 0.00 H new ATOM 643 N ARG A 43 -9.293 -1.896 -14.147 1.00 0.00 N ATOM 644 CA ARG A 43 -8.892 -2.363 -12.768 1.00 0.00 C ATOM 645 C ARG A 43 -7.388 -2.798 -12.695 1.00 0.00 C ATOM 646 O ARG A 43 -6.663 -2.221 -11.907 1.00 0.00 O ATOM 647 CB ARG A 43 -9.863 -3.521 -12.395 1.00 0.00 C ATOM 648 CG ARG A 43 -11.246 -2.962 -11.885 1.00 0.00 C ATOM 649 CD ARG A 43 -12.268 -4.117 -11.733 1.00 0.00 C ATOM 650 NE ARG A 43 -11.632 -5.080 -10.781 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.269 -6.000 -10.149 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.892 -6.886 -10.806 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.260 -6.006 -8.884 1.00 0.00 N ATOM 0 H ARG A 43 -10.237 -2.166 -14.423 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.972 -1.547 -12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.024 -4.159 -13.264 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.412 -4.143 -11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.112 -2.457 -10.928 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.627 -2.220 -12.586 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.220 -3.752 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.473 -4.590 -12.693 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.627 -5.001 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.885 -6.864 -11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.401 -7.621 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.750 -5.285 -8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.763 -6.732 -8.374 1.00 0.00 H new ATOM 667 N SER A 44 -7.007 -3.760 -13.515 1.00 0.00 N ATOM 668 CA SER A 44 -5.603 -4.360 -13.646 1.00 0.00 C ATOM 669 C SER A 44 -4.709 -3.546 -14.650 1.00 0.00 C ATOM 670 O SER A 44 -3.507 -3.513 -14.499 1.00 0.00 O ATOM 671 CB SER A 44 -5.682 -5.793 -14.199 1.00 0.00 C ATOM 672 OG SER A 44 -6.278 -5.625 -15.485 1.00 0.00 O ATOM 0 H SER A 44 -7.667 -4.196 -14.159 1.00 0.00 H new ATOM 0 HA SER A 44 -5.167 -4.336 -12.647 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.695 -6.250 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.285 -6.437 -13.559 1.00 0.00 H new ATOM 0 HG SER A 44 -7.248 -5.527 -15.386 1.00 0.00 H new ATOM 678 N LYS A 45 -5.291 -2.941 -15.669 1.00 0.00 N ATOM 679 CA LYS A 45 -4.561 -2.106 -16.712 1.00 0.00 C ATOM 680 C LYS A 45 -3.530 -1.218 -16.005 1.00 0.00 C ATOM 681 O LYS A 45 -2.422 -1.042 -16.468 1.00 0.00 O ATOM 682 CB LYS A 45 -5.583 -1.212 -17.484 1.00 0.00 C ATOM 683 CG LYS A 45 -4.892 -0.436 -18.640 1.00 0.00 C ATOM 684 CD LYS A 45 -5.865 0.654 -19.261 1.00 0.00 C ATOM 685 CE LYS A 45 -5.636 2.036 -18.600 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.560 3.068 -19.188 1.00 0.00 N ATOM 0 H LYS A 45 -6.296 -2.992 -15.833 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.058 -2.763 -17.422 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.382 -1.834 -17.887 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.046 -0.506 -16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.989 0.048 -18.268 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.582 -1.135 -19.417 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.697 0.728 -20.336 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.901 0.346 -19.120 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.802 1.962 -17.525 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.600 2.345 -18.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.040 3.646 -19.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.354 2.593 -19.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.925 3.679 -18.430 1.00 0.00 H new ATOM 700 N TYR A 46 -3.962 -0.669 -14.902 1.00 0.00 N ATOM 701 CA TYR A 46 -3.058 0.217 -14.087 1.00 0.00 C ATOM 702 C TYR A 46 -2.560 -0.554 -12.837 1.00 0.00 C ATOM 703 O TYR A 46 -2.398 -1.756 -12.832 1.00 0.00 O ATOM 704 CB TYR A 46 -3.870 1.522 -13.723 1.00 0.00 C ATOM 705 CG TYR A 46 -3.199 2.823 -14.274 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.856 3.115 -14.062 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.946 3.750 -14.984 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.287 4.285 -14.543 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.363 4.919 -15.461 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.032 5.197 -15.247 1.00 0.00 C ATOM 711 OH TYR A 46 -1.495 6.377 -15.730 1.00 0.00 O ATOM 0 H TYR A 46 -4.901 -0.791 -14.524 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.167 0.508 -14.643 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.880 1.441 -14.125 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.963 1.597 -12.640 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.243 2.416 -13.511 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.993 3.562 -15.169 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.241 4.481 -14.360 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.968 5.624 -16.011 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.189 6.883 -16.202 1.00 0.00 H new ATOM 721 N GLY A 47 -2.295 0.189 -11.802 1.00 0.00 N ATOM 722 CA GLY A 47 -1.813 -0.473 -10.536 1.00 0.00 C ATOM 723 C GLY A 47 -2.911 -0.987 -9.585 1.00 0.00 C ATOM 724 O GLY A 47 -2.899 -2.166 -9.307 1.00 0.00 O ATOM 0 H GLY A 47 -2.385 1.204 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.174 -1.312 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.191 0.238 -9.991 1.00 0.00 H new ATOM 728 N TRP A 48 -3.762 -0.062 -9.174 1.00 0.00 N ATOM 729 CA TRP A 48 -4.960 -0.218 -8.218 1.00 0.00 C ATOM 730 C TRP A 48 -4.428 -0.700 -6.900 1.00 0.00 C ATOM 731 O TRP A 48 -4.966 -1.493 -6.165 1.00 0.00 O ATOM 732 CB TRP A 48 -5.992 -1.212 -8.849 1.00 0.00 C ATOM 733 CG TRP A 48 -5.992 -2.616 -8.305 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.905 -3.247 -7.815 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.075 -3.401 -8.238 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.392 -4.412 -7.474 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.688 -4.580 -7.692 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.404 -3.215 -8.596 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.616 -5.539 -7.509 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.339 -4.212 -8.404 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.929 -5.404 -7.849 1.00 0.00 C ATOM 0 H TRP A 48 -3.670 0.902 -9.494 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.482 0.725 -8.058 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.991 -0.795 -8.718 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.806 -1.262 -9.922 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.892 -2.883 -7.727 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.811 -5.145 -7.066 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.711 -2.275 -9.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.300 -6.472 -7.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.371 -4.060 -8.683 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.629 -6.210 -7.688 1.00 0.00 H new ATOM 752 N THR A 49 -3.369 -0.101 -6.541 1.00 0.00 N ATOM 753 CA THR A 49 -2.809 -0.577 -5.290 1.00 0.00 C ATOM 754 C THR A 49 -3.556 0.024 -4.122 1.00 0.00 C ATOM 755 O THR A 49 -4.205 1.066 -4.126 1.00 0.00 O ATOM 756 CB THR A 49 -1.297 -0.180 -5.346 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.211 1.150 -5.865 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.590 -0.971 -6.458 1.00 0.00 C ATOM 0 H THR A 49 -2.885 0.656 -7.024 1.00 0.00 H new ATOM 0 HA THR A 49 -2.904 -1.654 -5.152 1.00 0.00 H new ATOM 0 HB THR A 49 -0.875 -0.333 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.271 1.424 -5.909 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.463 -0.690 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.674 -2.039 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.056 -0.746 -7.417 1.00 0.00 H new ATOM 766 N ALA A 50 -3.473 -0.817 -3.136 1.00 0.00 N ATOM 767 CA ALA A 50 -4.128 -0.393 -1.827 1.00 0.00 C ATOM 768 C ALA A 50 -2.987 0.360 -1.184 1.00 0.00 C ATOM 769 O ALA A 50 -1.885 0.131 -1.634 1.00 0.00 O ATOM 770 CB ALA A 50 -4.461 -1.510 -0.784 1.00 0.00 C ATOM 0 H ALA A 50 -3.016 -1.729 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.078 0.090 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.922 -1.061 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.150 -2.229 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.543 -2.020 -0.492 1.00 0.00 H new ATOM 776 N PHE A 51 -3.183 1.220 -0.220 1.00 0.00 N ATOM 777 CA PHE A 51 -1.951 1.878 0.345 1.00 0.00 C ATOM 778 C PHE A 51 -1.939 2.247 1.846 1.00 0.00 C ATOM 779 O PHE A 51 -2.898 2.825 2.337 1.00 0.00 O ATOM 780 CB PHE A 51 -1.648 3.177 -0.460 1.00 0.00 C ATOM 781 CG PHE A 51 -0.402 3.924 0.101 1.00 0.00 C ATOM 782 CD1 PHE A 51 -0.520 4.683 1.247 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.831 3.859 -0.518 1.00 0.00 C ATOM 784 CE1 PHE A 51 0.555 5.371 1.777 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.918 4.547 0.007 1.00 0.00 C ATOM 786 CZ PHE A 51 1.778 5.303 1.151 1.00 0.00 C ATOM 0 H PHE A 51 -4.079 1.489 0.186 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.196 1.098 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.481 2.926 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.515 3.837 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.478 4.741 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.951 3.270 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.436 5.958 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.878 4.489 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.624 5.839 1.554 1.00 0.00 H new ATOM 796 N CYS A 52 -0.851 1.894 2.490 1.00 0.00 N ATOM 797 CA CYS A 52 -0.651 2.189 3.948 1.00 0.00 C ATOM 798 C CYS A 52 0.828 2.159 4.450 1.00 0.00 C ATOM 799 O CYS A 52 1.175 1.484 5.400 1.00 0.00 O ATOM 800 CB CYS A 52 -1.557 1.197 4.759 1.00 0.00 C ATOM 801 SG CYS A 52 -2.027 -0.417 4.097 1.00 0.00 S ATOM 0 H CYS A 52 -0.072 1.400 2.054 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.940 3.227 4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.054 1.014 5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.482 1.727 4.985 1.00 0.00 H new ATOM 806 N GLY A 53 1.657 2.911 3.773 1.00 0.00 N ATOM 807 CA GLY A 53 3.124 3.007 4.132 1.00 0.00 C ATOM 808 C GLY A 53 3.334 4.305 4.958 1.00 0.00 C ATOM 809 O GLY A 53 2.370 4.940 5.336 1.00 0.00 O ATOM 0 H GLY A 53 1.384 3.477 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.433 2.135 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.736 3.026 3.230 1.00 0.00 H new ATOM 813 N PRO A 54 4.551 4.710 5.234 1.00 0.00 N ATOM 814 CA PRO A 54 4.819 5.597 6.403 1.00 0.00 C ATOM 815 C PRO A 54 4.407 7.085 6.280 1.00 0.00 C ATOM 816 O PRO A 54 3.879 7.645 7.220 1.00 0.00 O ATOM 817 CB PRO A 54 6.338 5.414 6.668 1.00 0.00 C ATOM 818 CG PRO A 54 6.939 4.661 5.426 1.00 0.00 C ATOM 819 CD PRO A 54 5.768 4.349 4.461 1.00 0.00 C ATOM 0 HA PRO A 54 4.180 5.299 7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.824 6.380 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.503 4.842 7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.690 5.276 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.435 3.742 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.843 4.931 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.759 3.298 4.173 1.00 0.00 H new ATOM 827 N ALA A 55 4.646 7.702 5.152 1.00 0.00 N ATOM 828 CA ALA A 55 4.283 9.147 4.958 1.00 0.00 C ATOM 829 C ALA A 55 3.431 9.360 3.683 1.00 0.00 C ATOM 830 O ALA A 55 3.956 9.341 2.585 1.00 0.00 O ATOM 831 CB ALA A 55 5.603 9.949 4.885 1.00 0.00 C ATOM 0 H ALA A 55 5.084 7.263 4.342 1.00 0.00 H new ATOM 0 HA ALA A 55 3.670 9.490 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.379 11.006 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.161 9.817 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.201 9.590 4.047 1.00 0.00 H new ATOM 837 N GLY A 56 2.149 9.544 3.877 1.00 0.00 N ATOM 838 CA GLY A 56 1.192 9.764 2.735 1.00 0.00 C ATOM 839 C GLY A 56 -0.184 10.324 3.153 1.00 0.00 C ATOM 840 O GLY A 56 -1.102 9.538 3.346 1.00 0.00 O ATOM 0 H GLY A 56 1.711 9.552 4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.648 10.451 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.043 8.818 2.215 1.00 0.00 H new ATOM 844 N PRO A 57 -0.328 11.626 3.289 1.00 0.00 N ATOM 845 CA PRO A 57 -1.645 12.205 3.652 1.00 0.00 C ATOM 846 C PRO A 57 -2.709 11.960 2.568 1.00 0.00 C ATOM 847 O PRO A 57 -2.772 12.596 1.534 1.00 0.00 O ATOM 848 CB PRO A 57 -1.357 13.709 3.947 1.00 0.00 C ATOM 849 CG PRO A 57 0.161 13.937 3.734 1.00 0.00 C ATOM 850 CD PRO A 57 0.732 12.650 3.103 1.00 0.00 C ATOM 0 HA PRO A 57 -2.084 11.727 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.939 14.349 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.644 13.963 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.334 14.794 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.654 14.152 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.959 12.796 2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.660 12.350 3.590 1.00 0.00 H new ATOM 858 N ARG A 58 -3.509 10.989 2.873 1.00 0.00 N ATOM 859 CA ARG A 58 -4.646 10.515 2.034 1.00 0.00 C ATOM 860 C ARG A 58 -5.863 10.270 2.974 1.00 0.00 C ATOM 861 O ARG A 58 -5.795 10.518 4.164 1.00 0.00 O ATOM 862 CB ARG A 58 -4.071 9.251 1.281 1.00 0.00 C ATOM 863 CG ARG A 58 -4.863 7.932 1.562 1.00 0.00 C ATOM 864 CD ARG A 58 -4.012 6.718 1.085 1.00 0.00 C ATOM 865 NE ARG A 58 -2.909 6.469 2.096 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.157 6.253 3.345 1.00 0.00 C ATOM 867 NH1 ARG A 58 -3.626 5.103 3.684 1.00 0.00 N ATOM 868 NH2 ARG A 58 -2.910 7.207 4.158 1.00 0.00 N ATOM 0 H ARG A 58 -3.414 10.461 3.741 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.022 11.211 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.077 9.445 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.031 9.108 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.082 7.844 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.820 7.949 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.640 5.833 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.585 6.919 0.102 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.940 6.472 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.792 4.390 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.831 4.904 4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.534 8.089 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.089 7.087 5.155 1.00 0.00 H new ATOM 882 N GLY A 59 -6.932 9.785 2.401 1.00 0.00 N ATOM 883 CA GLY A 59 -8.204 9.481 3.149 1.00 0.00 C ATOM 884 C GLY A 59 -9.455 9.831 2.324 1.00 0.00 C ATOM 885 O GLY A 59 -10.275 8.972 2.078 1.00 0.00 O ATOM 0 H GLY A 59 -6.984 9.576 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.227 8.423 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.218 10.041 4.084 1.00 0.00 H new ATOM 889 N GLN A 60 -9.565 11.087 1.967 1.00 0.00 N ATOM 890 CA GLN A 60 -10.730 11.582 1.147 1.00 0.00 C ATOM 891 C GLN A 60 -10.530 11.519 -0.400 1.00 0.00 C ATOM 892 O GLN A 60 -10.880 10.571 -1.080 1.00 0.00 O ATOM 893 CB GLN A 60 -11.045 13.052 1.587 1.00 0.00 C ATOM 894 CG GLN A 60 -11.447 13.126 3.096 1.00 0.00 C ATOM 895 CD GLN A 60 -12.050 14.500 3.415 1.00 0.00 C ATOM 896 OE1 GLN A 60 -13.048 14.895 2.860 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.520 15.296 4.289 1.00 0.00 N ATOM 0 H GLN A 60 -8.887 11.808 2.211 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.561 10.905 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.172 13.680 1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.853 13.451 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.168 12.342 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.572 12.950 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.676 15.015 4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.946 16.203 4.477 1.00 0.00 H new ATOM 906 N ALA A 61 -9.922 12.554 -0.935 1.00 0.00 N ATOM 907 CA ALA A 61 -9.662 12.654 -2.407 1.00 0.00 C ATOM 908 C ALA A 61 -8.455 11.817 -2.850 1.00 0.00 C ATOM 909 O ALA A 61 -7.618 12.229 -3.624 1.00 0.00 O ATOM 910 CB ALA A 61 -9.461 14.153 -2.718 1.00 0.00 C ATOM 0 H ALA A 61 -9.587 13.353 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.505 12.247 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.267 14.281 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.360 14.705 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.614 14.533 -2.147 1.00 0.00 H new ATOM 916 N ALA A 62 -8.419 10.632 -2.330 1.00 0.00 N ATOM 917 CA ALA A 62 -7.337 9.658 -2.633 1.00 0.00 C ATOM 918 C ALA A 62 -8.023 8.635 -3.546 1.00 0.00 C ATOM 919 O ALA A 62 -7.400 8.123 -4.451 1.00 0.00 O ATOM 920 CB ALA A 62 -6.858 9.058 -1.311 1.00 0.00 C ATOM 0 H ALA A 62 -9.123 10.281 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.453 10.073 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.062 8.339 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.480 9.852 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.689 8.555 -0.817 1.00 0.00 H new ATOM 926 N CYS A 63 -9.293 8.385 -3.307 1.00 0.00 N ATOM 927 CA CYS A 63 -10.036 7.405 -4.155 1.00 0.00 C ATOM 928 C CYS A 63 -10.062 7.869 -5.640 1.00 0.00 C ATOM 929 O CYS A 63 -10.643 7.255 -6.512 1.00 0.00 O ATOM 930 CB CYS A 63 -11.466 7.271 -3.569 1.00 0.00 C ATOM 931 SG CYS A 63 -12.527 6.242 -4.603 1.00 0.00 S ATOM 0 H CYS A 63 -9.841 8.818 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.542 6.433 -4.145 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.409 6.842 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.910 8.261 -3.467 1.00 0.00 H new ATOM 936 N GLY A 64 -9.417 8.978 -5.900 1.00 0.00 N ATOM 937 CA GLY A 64 -9.347 9.541 -7.281 1.00 0.00 C ATOM 938 C GLY A 64 -7.891 9.775 -7.698 1.00 0.00 C ATOM 939 O GLY A 64 -7.671 10.490 -8.654 1.00 0.00 O ATOM 0 H GLY A 64 -8.925 9.528 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.826 8.858 -7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.898 10.480 -7.324 1.00 0.00 H new ATOM 943 N LYS A 65 -6.939 9.186 -7.004 1.00 0.00 N ATOM 944 CA LYS A 65 -5.509 9.394 -7.383 1.00 0.00 C ATOM 945 C LYS A 65 -4.662 8.106 -7.490 1.00 0.00 C ATOM 946 O LYS A 65 -5.087 6.987 -7.258 1.00 0.00 O ATOM 947 CB LYS A 65 -4.917 10.400 -6.337 1.00 0.00 C ATOM 948 CG LYS A 65 -5.666 11.761 -6.544 1.00 0.00 C ATOM 949 CD LYS A 65 -4.837 12.965 -6.043 1.00 0.00 C ATOM 950 CE LYS A 65 -4.721 13.009 -4.533 1.00 0.00 C ATOM 951 NZ LYS A 65 -3.907 14.212 -4.188 1.00 0.00 N ATOM 0 H LYS A 65 -7.093 8.577 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.472 9.788 -8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.060 10.031 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.844 10.523 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.892 11.892 -7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.619 11.733 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.839 12.920 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.297 13.889 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.707 13.067 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.247 12.103 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.804 14.277 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.967 14.132 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.382 15.066 -4.543 1.00 0.00 H new ATOM 965 N CYS A 66 -3.438 8.353 -7.864 1.00 0.00 N ATOM 966 CA CYS A 66 -2.381 7.321 -8.061 1.00 0.00 C ATOM 967 C CYS A 66 -1.053 7.606 -7.287 1.00 0.00 C ATOM 968 O CYS A 66 -0.888 8.556 -6.538 1.00 0.00 O ATOM 969 CB CYS A 66 -2.164 7.265 -9.570 1.00 0.00 C ATOM 970 SG CYS A 66 -3.423 6.414 -10.544 1.00 0.00 S ATOM 0 H CYS A 66 -3.108 9.299 -8.054 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.703 6.365 -7.648 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.083 8.287 -9.939 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.205 6.781 -9.757 1.00 0.00 H new ATOM 975 N LEU A 67 -0.111 6.730 -7.504 1.00 0.00 N ATOM 976 CA LEU A 67 1.234 6.864 -6.845 1.00 0.00 C ATOM 977 C LEU A 67 2.311 6.622 -7.930 1.00 0.00 C ATOM 978 O LEU A 67 2.154 5.723 -8.743 1.00 0.00 O ATOM 979 CB LEU A 67 1.290 5.814 -5.699 1.00 0.00 C ATOM 980 CG LEU A 67 1.984 6.393 -4.446 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.785 5.376 -3.316 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.504 6.574 -4.657 1.00 0.00 C ATOM 0 H LEU A 67 -0.209 5.918 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 67 1.408 7.850 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.279 5.496 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.827 4.928 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 67 1.555 7.370 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.261 5.744 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.719 5.236 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.234 4.424 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.951 6.983 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.958 5.609 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.677 7.258 -5.488 1.00 0.00 H new ATOM 994 N ARG A 68 3.365 7.407 -7.916 1.00 0.00 N ATOM 995 CA ARG A 68 4.435 7.222 -8.938 1.00 0.00 C ATOM 996 C ARG A 68 5.581 6.645 -8.120 1.00 0.00 C ATOM 997 O ARG A 68 5.863 7.101 -7.021 1.00 0.00 O ATOM 998 CB ARG A 68 4.885 8.568 -9.562 1.00 0.00 C ATOM 999 CG ARG A 68 5.847 8.223 -10.747 1.00 0.00 C ATOM 1000 CD ARG A 68 6.703 9.408 -11.181 1.00 0.00 C ATOM 1001 NE ARG A 68 5.791 10.504 -11.654 1.00 0.00 N ATOM 1002 CZ ARG A 68 5.963 11.707 -11.265 1.00 0.00 C ATOM 1003 NH1 ARG A 68 5.623 12.012 -10.078 1.00 0.00 N ATOM 1004 NH2 ARG A 68 6.458 12.547 -12.076 1.00 0.00 N ATOM 0 H ARG A 68 3.525 8.159 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 68 4.105 6.600 -9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.025 9.136 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.392 9.186 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.498 7.400 -10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.259 7.876 -11.596 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.316 9.757 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.385 9.112 -11.978 1.00 0.00 H new ATOM 0 HE ARG A 68 5.027 10.284 -12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.224 11.302 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.749 12.966 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.711 12.256 -13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.603 13.513 -11.784 1.00 0.00 H new ATOM 1018 N VAL A 69 6.218 5.664 -8.686 1.00 0.00 N ATOM 1019 CA VAL A 69 7.353 5.016 -7.975 1.00 0.00 C ATOM 1020 C VAL A 69 8.547 4.907 -8.898 1.00 0.00 C ATOM 1021 O VAL A 69 8.385 4.565 -10.052 1.00 0.00 O ATOM 1022 CB VAL A 69 6.936 3.613 -7.528 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.068 3.003 -6.670 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.627 3.679 -6.734 1.00 0.00 C ATOM 0 H VAL A 69 6.004 5.282 -9.607 1.00 0.00 H new ATOM 0 HA VAL A 69 7.621 5.619 -7.108 1.00 0.00 H new ATOM 0 HB VAL A 69 6.768 2.982 -8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.780 2.003 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.982 2.944 -7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.241 3.631 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.340 2.675 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.766 4.307 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.842 4.102 -7.361 1.00 0.00 H new ATOM 1034 N THR A 70 9.684 5.201 -8.315 1.00 0.00 N ATOM 1035 CA THR A 70 11.005 5.152 -9.032 1.00 0.00 C ATOM 1036 C THR A 70 12.075 4.479 -8.141 1.00 0.00 C ATOM 1037 O THR A 70 12.105 4.640 -6.927 1.00 0.00 O ATOM 1038 CB THR A 70 11.464 6.590 -9.392 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.625 6.996 -10.469 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.897 6.581 -10.002 1.00 0.00 C ATOM 0 H THR A 70 9.756 5.483 -7.337 1.00 0.00 H new ATOM 0 HA THR A 70 10.884 4.569 -9.945 1.00 0.00 H new ATOM 0 HB THR A 70 11.430 7.219 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.864 7.905 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.195 7.601 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.597 6.161 -9.280 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.903 5.975 -10.908 1.00 0.00 H new ATOM 1048 N ASN A 71 12.919 3.740 -8.807 1.00 0.00 N ATOM 1049 CA ASN A 71 14.039 2.994 -8.165 1.00 0.00 C ATOM 1050 C ASN A 71 15.376 3.679 -8.566 1.00 0.00 C ATOM 1051 O ASN A 71 15.706 3.669 -9.737 1.00 0.00 O ATOM 1052 CB ASN A 71 13.987 1.543 -8.680 1.00 0.00 C ATOM 1053 CG ASN A 71 14.906 0.696 -7.820 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.777 0.719 -6.622 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.834 -0.061 -8.297 1.00 0.00 N ATOM 0 H ASN A 71 12.874 3.618 -9.819 1.00 0.00 H new ATOM 0 HA ASN A 71 13.959 2.995 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.967 1.161 -8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.298 1.500 -9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.421 -0.607 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.981 -0.114 -9.305 1.00 0.00 H new ATOM 1062 N PRO A 72 16.123 4.256 -7.647 1.00 0.00 N ATOM 1063 CA PRO A 72 17.434 4.890 -7.984 1.00 0.00 C ATOM 1064 C PRO A 72 18.381 3.818 -8.541 1.00 0.00 C ATOM 1065 O PRO A 72 18.615 3.762 -9.729 1.00 0.00 O ATOM 1066 CB PRO A 72 17.875 5.529 -6.642 1.00 0.00 C ATOM 1067 CG PRO A 72 16.534 5.711 -5.900 1.00 0.00 C ATOM 1068 CD PRO A 72 15.802 4.397 -6.205 1.00 0.00 C ATOM 0 HA PRO A 72 17.408 5.651 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.559 4.884 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.387 6.479 -6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.679 5.855 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.982 6.577 -6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.176 3.563 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.730 4.464 -6.021 1.00 0.00 H new ATOM 1076 N ALA A 73 18.876 3.012 -7.637 1.00 0.00 N ATOM 1077 CA ALA A 73 19.815 1.879 -7.923 1.00 0.00 C ATOM 1078 C ALA A 73 19.873 1.379 -9.393 1.00 0.00 C ATOM 1079 O ALA A 73 20.935 1.158 -9.942 1.00 0.00 O ATOM 1080 CB ALA A 73 19.394 0.765 -6.941 1.00 0.00 C ATOM 0 H ALA A 73 18.651 3.101 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 73 20.840 2.221 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.033 -0.106 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.494 1.125 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.357 0.488 -7.128 1.00 0.00 H new ATOM 1086 N THR A 74 18.703 1.233 -9.959 1.00 0.00 N ATOM 1087 CA THR A 74 18.547 0.753 -11.378 1.00 0.00 C ATOM 1088 C THR A 74 17.956 1.795 -12.331 1.00 0.00 C ATOM 1089 O THR A 74 18.218 1.760 -13.516 1.00 0.00 O ATOM 1090 CB THR A 74 17.637 -0.508 -11.417 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.312 -0.140 -11.035 1.00 0.00 O ATOM 1092 CG2 THR A 74 18.014 -1.484 -10.300 1.00 0.00 C ATOM 0 H THR A 74 17.820 1.431 -9.488 1.00 0.00 H new ATOM 0 HA THR A 74 19.558 0.533 -11.721 1.00 0.00 H new ATOM 0 HB THR A 74 17.732 -0.930 -12.418 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.733 -0.930 -11.059 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.365 -2.358 -10.346 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.051 -1.795 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.895 -0.994 -9.333 1.00 0.00 H new ATOM 1100 N GLY A 75 17.169 2.703 -11.823 1.00 0.00 N ATOM 1101 CA GLY A 75 16.549 3.754 -12.705 1.00 0.00 C ATOM 1102 C GLY A 75 15.157 3.319 -13.159 1.00 0.00 C ATOM 1103 O GLY A 75 14.497 4.038 -13.887 1.00 0.00 O ATOM 0 H GLY A 75 16.923 2.769 -10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.483 4.698 -12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.183 3.928 -13.574 1.00 0.00 H new ATOM 1107 N ALA A 76 14.732 2.159 -12.726 1.00 0.00 N ATOM 1108 CA ALA A 76 13.380 1.663 -13.134 1.00 0.00 C ATOM 1109 C ALA A 76 12.285 2.515 -12.451 1.00 0.00 C ATOM 1110 O ALA A 76 12.359 2.824 -11.279 1.00 0.00 O ATOM 1111 CB ALA A 76 13.291 0.157 -12.725 1.00 0.00 C ATOM 0 H ALA A 76 15.258 1.537 -12.112 1.00 0.00 H new ATOM 0 HA ALA A 76 13.228 1.752 -14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.316 -0.240 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.073 -0.405 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.422 0.064 -11.647 1.00 0.00 H new ATOM 1117 N GLN A 77 11.297 2.893 -13.212 1.00 0.00 N ATOM 1118 CA GLN A 77 10.176 3.719 -12.660 1.00 0.00 C ATOM 1119 C GLN A 77 8.825 3.322 -13.294 1.00 0.00 C ATOM 1120 O GLN A 77 8.752 2.927 -14.442 1.00 0.00 O ATOM 1121 CB GLN A 77 10.575 5.192 -12.920 1.00 0.00 C ATOM 1122 CG GLN A 77 10.802 5.434 -14.436 1.00 0.00 C ATOM 1123 CD GLN A 77 11.317 6.842 -14.696 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.660 7.823 -14.428 1.00 0.00 O ATOM 1125 NE2 GLN A 77 12.493 6.999 -15.218 1.00 0.00 N ATOM 0 H GLN A 77 11.213 2.665 -14.203 1.00 0.00 H new ATOM 0 HA GLN A 77 10.028 3.558 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.793 5.857 -12.553 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.483 5.432 -12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.516 4.706 -14.821 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.868 5.280 -14.976 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.061 6.184 -15.450 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.851 7.937 -15.396 1.00 0.00 H new ATOM 1134 N ILE A 78 7.787 3.441 -12.509 1.00 0.00 N ATOM 1135 CA ILE A 78 6.391 3.097 -12.949 1.00 0.00 C ATOM 1136 C ILE A 78 5.289 3.985 -12.278 1.00 0.00 C ATOM 1137 O ILE A 78 5.577 4.880 -11.500 1.00 0.00 O ATOM 1138 CB ILE A 78 6.255 1.603 -12.602 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.487 0.824 -13.686 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.568 1.415 -11.243 1.00 0.00 C ATOM 1141 CD1 ILE A 78 6.462 0.470 -14.836 1.00 0.00 C ATOM 0 H ILE A 78 7.846 3.774 -11.547 1.00 0.00 H new ATOM 0 HA ILE A 78 6.238 3.293 -14.010 1.00 0.00 H new ATOM 0 HB ILE A 78 7.266 1.200 -12.551 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.057 -0.084 -13.264 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.659 1.423 -14.065 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.484 0.351 -11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.158 1.902 -10.467 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.573 1.859 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.928 -0.082 -15.609 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.871 1.386 -15.261 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.275 -0.144 -14.448 1.00 0.00 H new ATOM 1153 N THR A 79 4.041 3.705 -12.593 1.00 0.00 N ATOM 1154 CA THR A 79 2.875 4.477 -12.012 1.00 0.00 C ATOM 1155 C THR A 79 1.738 3.503 -11.562 1.00 0.00 C ATOM 1156 O THR A 79 1.292 2.700 -12.358 1.00 0.00 O ATOM 1157 CB THR A 79 2.411 5.422 -13.105 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.574 6.156 -13.459 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.538 6.536 -12.566 1.00 0.00 C ATOM 0 H THR A 79 3.772 2.963 -13.239 1.00 0.00 H new ATOM 0 HA THR A 79 3.162 5.034 -11.120 1.00 0.00 H new ATOM 0 HB THR A 79 1.902 4.838 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.354 6.794 -14.169 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.231 7.186 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.655 6.109 -12.091 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.099 7.116 -11.833 1.00 0.00 H new ATOM 1167 N ALA A 80 1.289 3.601 -10.331 1.00 0.00 N ATOM 1168 CA ALA A 80 0.192 2.704 -9.765 1.00 0.00 C ATOM 1169 C ALA A 80 -1.132 3.449 -9.358 1.00 0.00 C ATOM 1170 O ALA A 80 -1.090 4.654 -9.251 1.00 0.00 O ATOM 1171 CB ALA A 80 0.838 1.993 -8.551 1.00 0.00 C ATOM 0 H ALA A 80 1.642 4.286 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.146 2.012 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.109 1.328 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.698 1.413 -8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.162 2.737 -7.824 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.252 2.772 -9.112 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.538 3.487 -8.727 1.00 0.00 C ATOM 1179 C ARG A 81 -3.934 3.377 -7.215 1.00 0.00 C ATOM 1180 O ARG A 81 -3.840 2.293 -6.697 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.611 2.870 -9.632 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.893 3.757 -9.606 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.748 3.645 -10.904 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.296 2.476 -11.745 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.704 1.262 -11.585 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.874 0.806 -10.423 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.926 0.507 -12.577 1.00 0.00 N ATOM 0 H ARG A 81 -2.330 1.756 -9.162 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.416 4.561 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.236 2.786 -10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.848 1.861 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.506 3.473 -8.750 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.603 4.797 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.800 3.526 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.665 4.567 -11.480 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.623 2.658 -12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.689 1.396 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.196 -0.153 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.783 0.855 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.248 -0.449 -12.428 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.338 4.421 -6.538 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.724 4.321 -5.080 1.00 0.00 C ATOM 1203 C ILE A 82 -6.237 4.001 -4.910 1.00 0.00 C ATOM 1204 O ILE A 82 -6.978 4.842 -4.428 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.332 5.680 -4.384 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.828 5.964 -4.692 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.476 5.497 -2.844 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.350 7.315 -4.119 1.00 0.00 C ATOM 0 H ILE A 82 -4.421 5.358 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.190 3.497 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.966 6.492 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.218 5.161 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.674 5.956 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.209 6.426 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.507 5.237 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.813 4.700 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.298 7.461 -4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.939 8.123 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.476 7.316 -3.036 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.681 2.822 -5.290 1.00 0.00 N ATOM 1221 CA VAL A 83 -8.129 2.478 -5.149 1.00 0.00 C ATOM 1222 C VAL A 83 -8.500 2.063 -3.736 1.00 0.00 C ATOM 1223 O VAL A 83 -9.614 2.309 -3.317 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.499 1.325 -6.085 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.362 1.725 -7.556 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.722 0.033 -5.756 1.00 0.00 C ATOM 0 H VAL A 83 -6.100 2.086 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.678 3.384 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.552 1.101 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.633 0.880 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.024 2.565 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.331 2.015 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.019 -0.756 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.652 0.217 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.945 -0.276 -4.735 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.562 1.453 -3.054 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.848 1.011 -1.647 1.00 0.00 C ATOM 1238 C ASP A 84 -6.884 1.792 -0.741 1.00 0.00 C ATOM 1239 O ASP A 84 -5.687 1.882 -0.934 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.629 -0.533 -1.588 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.857 -1.181 -0.210 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.390 -0.576 0.732 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.464 -2.233 -0.178 1.00 0.00 O ATOM 0 H ASP A 84 -6.626 1.243 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.868 1.210 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.298 -1.005 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.610 -0.751 -1.909 1.00 0.00 H new ATOM 1248 N GLN A 85 -7.471 2.371 0.253 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.743 3.174 1.257 1.00 0.00 C ATOM 1250 C GLN A 85 -6.878 2.345 2.541 1.00 0.00 C ATOM 1251 O GLN A 85 -7.983 2.020 2.931 1.00 0.00 O ATOM 1252 CB GLN A 85 -7.456 4.554 1.350 1.00 0.00 C ATOM 1253 CG GLN A 85 -7.532 5.288 -0.059 1.00 0.00 C ATOM 1254 CD GLN A 85 -8.457 4.549 -1.039 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -9.306 3.790 -0.648 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -8.386 4.699 -2.318 1.00 0.00 N ATOM 0 H GLN A 85 -8.476 2.317 0.418 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.694 3.373 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.464 4.414 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.925 5.188 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.891 6.307 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.532 5.359 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.690 5.327 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.026 4.190 -2.928 1.00 0.00 H new ATOM 1265 N CYS A 86 -5.774 2.025 3.156 1.00 0.00 N ATOM 1266 CA CYS A 86 -5.805 1.221 4.416 1.00 0.00 C ATOM 1267 C CYS A 86 -5.183 2.026 5.585 1.00 0.00 C ATOM 1268 O CYS A 86 -4.803 3.173 5.386 1.00 0.00 O ATOM 1269 CB CYS A 86 -5.075 -0.102 4.013 1.00 0.00 C ATOM 1270 SG CYS A 86 -3.625 -0.006 2.931 1.00 0.00 S ATOM 0 H CYS A 86 -4.841 2.287 2.839 1.00 0.00 H new ATOM 0 HA CYS A 86 -6.797 0.985 4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.768 -0.602 4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.807 -0.748 3.527 1.00 0.00 H new ATOM 1275 N ALA A 87 -5.098 1.430 6.755 1.00 0.00 N ATOM 1276 CA ALA A 87 -4.511 2.167 7.926 1.00 0.00 C ATOM 1277 C ALA A 87 -2.987 2.000 8.129 1.00 0.00 C ATOM 1278 O ALA A 87 -2.266 2.948 7.895 1.00 0.00 O ATOM 1279 CB ALA A 87 -5.298 1.696 9.171 1.00 0.00 C ATOM 0 H ALA A 87 -5.405 0.477 6.949 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.613 3.236 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.913 2.201 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.354 1.936 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.182 0.619 9.288 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.516 0.851 8.541 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.031 0.667 8.750 1.00 0.00 C ATOM 1287 C ASN A 88 -0.375 -0.527 8.002 1.00 0.00 C ATOM 1288 O ASN A 88 -1.003 -1.527 7.723 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.802 0.553 10.304 1.00 0.00 C ATOM 1290 CG ASN A 88 -1.675 -0.513 10.973 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -2.841 -0.334 11.244 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.163 -1.661 11.269 1.00 0.00 N ATOM 0 H ASN A 88 -3.086 0.030 8.744 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.532 1.530 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.247 0.324 10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.005 1.520 10.765 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.738 -2.376 11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.184 -1.853 11.057 1.00 0.00 H new ATOM 1299 N GLY A 89 0.895 -0.380 7.691 1.00 0.00 N ATOM 1300 CA GLY A 89 1.658 -1.468 6.963 1.00 0.00 C ATOM 1301 C GLY A 89 2.584 -1.615 5.740 1.00 0.00 C ATOM 1302 O GLY A 89 2.982 -0.664 5.104 1.00 0.00 O ATOM 0 H GLY A 89 1.445 0.451 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.265 -1.894 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.871 -2.189 6.741 1.00 0.00 H new ATOM 1306 N GLY A 90 2.904 -2.853 5.473 1.00 0.00 N ATOM 1307 CA GLY A 90 3.799 -3.247 4.322 1.00 0.00 C ATOM 1308 C GLY A 90 3.867 -2.296 3.098 1.00 0.00 C ATOM 1309 O GLY A 90 4.932 -1.918 2.667 1.00 0.00 O ATOM 0 H GLY A 90 2.572 -3.645 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.811 -3.366 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.477 -4.226 3.968 1.00 0.00 H new ATOM 1313 N LEU A 91 2.696 -1.976 2.593 1.00 0.00 N ATOM 1314 CA LEU A 91 2.461 -1.072 1.416 1.00 0.00 C ATOM 1315 C LEU A 91 1.156 -0.968 0.674 1.00 0.00 C ATOM 1316 O LEU A 91 0.550 0.080 0.757 1.00 0.00 O ATOM 1317 CB LEU A 91 3.581 -1.292 0.297 1.00 0.00 C ATOM 1318 CG LEU A 91 4.287 0.085 0.009 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.574 -0.115 -0.809 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.395 0.977 -0.876 1.00 0.00 C ATOM 0 H LEU A 91 1.826 -2.337 2.985 1.00 0.00 H new ATOM 0 HA LEU A 91 2.475 -0.142 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.312 -2.028 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.131 -1.684 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 91 4.488 0.534 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.042 0.852 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.263 -0.751 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.331 -0.588 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.900 1.924 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.203 0.474 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.449 1.165 -0.367 1.00 0.00 H new ATOM 1332 N ASP A 92 0.807 -2.018 0.050 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.462 -2.103 -0.796 1.00 0.00 C ATOM 1334 C ASP A 92 -1.480 -3.306 -0.994 1.00 0.00 C ATOM 1335 O ASP A 92 -1.518 -4.320 -0.314 1.00 0.00 O ATOM 1336 CB ASP A 92 0.080 -1.584 -2.189 1.00 0.00 C ATOM 1337 CG ASP A 92 1.266 -2.397 -2.673 1.00 0.00 C ATOM 1338 OD1 ASP A 92 0.907 -3.487 -3.038 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.373 -1.886 -2.637 1.00 0.00 O ATOM 0 H ASP A 92 1.347 -2.883 0.067 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.195 -1.588 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.719 -1.631 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.370 -0.537 -2.099 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.344 -3.106 -1.989 1.00 0.00 N ATOM 1345 CA LEU A 93 -3.373 -4.092 -2.387 1.00 0.00 C ATOM 1346 C LEU A 93 -2.357 -4.734 -3.291 1.00 0.00 C ATOM 1347 O LEU A 93 -2.006 -4.091 -4.274 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.413 -3.782 -3.469 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.820 -3.675 -2.980 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.221 -2.397 -3.694 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.632 -4.843 -3.510 1.00 0.00 C ATOM 0 H LEU A 93 -2.358 -2.254 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.943 -4.456 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.141 -2.845 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.367 -4.561 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.955 -3.676 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.254 -2.152 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.570 -1.583 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.127 -2.537 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.659 -4.764 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.625 -4.826 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.196 -5.778 -3.159 1.00 0.00 H new ATOM 1363 N ASP A 94 -2.044 -5.868 -2.767 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.114 -6.942 -3.206 1.00 0.00 C ATOM 1365 C ASP A 94 -0.993 -7.200 -4.733 1.00 0.00 C ATOM 1366 O ASP A 94 -1.770 -6.712 -5.537 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.611 -8.189 -2.413 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.597 -9.310 -2.231 1.00 0.00 C ATOM 1369 OD1 ASP A 94 0.552 -9.118 -2.579 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.076 -10.308 -1.730 1.00 0.00 O ATOM 0 H ASP A 94 -2.482 -6.137 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.085 -6.653 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.941 -7.861 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.485 -8.595 -2.923 1.00 0.00 H new ATOM 1375 N TRP A 95 0.026 -7.985 -5.026 1.00 0.00 N ATOM 1376 CA TRP A 95 0.481 -8.473 -6.388 1.00 0.00 C ATOM 1377 C TRP A 95 1.469 -7.436 -6.963 1.00 0.00 C ATOM 1378 O TRP A 95 2.025 -7.574 -8.036 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.775 -8.706 -7.340 1.00 0.00 C ATOM 1380 CG TRP A 95 -0.326 -8.920 -8.801 1.00 0.00 C ATOM 1381 CD1 TRP A 95 -0.577 -8.012 -9.781 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.357 -9.970 -9.330 1.00 0.00 C ATOM 1383 NE1 TRP A 95 -0.035 -8.564 -10.849 1.00 0.00 N ATOM 1384 CE2 TRP A 95 0.548 -9.735 -10.676 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.860 -11.137 -8.779 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.222 -10.632 -11.472 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.540 -12.043 -9.573 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.723 -11.791 -10.921 1.00 0.00 C ATOM 0 H TRP A 95 0.628 -8.347 -4.286 1.00 0.00 H new ATOM 0 HA TRP A 95 0.989 -9.434 -6.306 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.340 -9.573 -6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.444 -7.847 -7.283 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.095 -7.067 -9.704 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.065 -8.109 -11.762 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.721 -11.340 -7.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.358 -10.429 -12.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.930 -12.952 -9.138 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.256 -12.499 -11.538 1.00 0.00 H new ATOM 1399 N ASP A 96 1.643 -6.416 -6.165 1.00 0.00 N ATOM 1400 CA ASP A 96 2.513 -5.236 -6.365 1.00 0.00 C ATOM 1401 C ASP A 96 3.043 -5.064 -7.785 1.00 0.00 C ATOM 1402 O ASP A 96 4.217 -5.209 -8.096 1.00 0.00 O ATOM 1403 CB ASP A 96 3.624 -5.399 -5.336 1.00 0.00 C ATOM 1404 CG ASP A 96 3.127 -5.415 -3.884 1.00 0.00 C ATOM 1405 OD1 ASP A 96 2.101 -6.045 -3.671 1.00 0.00 O ATOM 1406 OD2 ASP A 96 3.835 -4.799 -3.102 1.00 0.00 O ATOM 0 H ASP A 96 1.147 -6.363 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 96 1.945 -4.316 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.159 -6.327 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.340 -4.586 -5.456 1.00 0.00 H new ATOM 1411 N THR A 97 2.079 -4.754 -8.613 1.00 0.00 N ATOM 1412 CA THR A 97 2.340 -4.515 -10.085 1.00 0.00 C ATOM 1413 C THR A 97 3.657 -3.744 -10.248 1.00 0.00 C ATOM 1414 O THR A 97 4.399 -3.956 -11.184 1.00 0.00 O ATOM 1415 CB THR A 97 1.219 -3.664 -10.774 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.243 -2.355 -10.208 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.190 -4.166 -10.447 1.00 0.00 C ATOM 0 H THR A 97 1.102 -4.652 -8.337 1.00 0.00 H new ATOM 0 HA THR A 97 2.373 -5.497 -10.557 1.00 0.00 H new ATOM 0 HB THR A 97 1.411 -3.712 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.100 -1.691 -10.914 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.926 -3.539 -10.951 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.297 -5.196 -10.787 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.352 -4.121 -9.370 1.00 0.00 H new ATOM 1425 N VAL A 98 3.896 -2.868 -9.306 1.00 0.00 N ATOM 1426 CA VAL A 98 5.122 -2.019 -9.279 1.00 0.00 C ATOM 1427 C VAL A 98 6.370 -2.875 -8.999 1.00 0.00 C ATOM 1428 O VAL A 98 7.275 -2.894 -9.801 1.00 0.00 O ATOM 1429 CB VAL A 98 4.980 -0.934 -8.159 1.00 0.00 C ATOM 1430 CG1 VAL A 98 6.272 -0.091 -8.068 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.810 0.035 -8.419 1.00 0.00 C ATOM 0 H VAL A 98 3.263 -2.702 -8.523 1.00 0.00 H new ATOM 0 HA VAL A 98 5.235 -1.540 -10.252 1.00 0.00 H new ATOM 0 HB VAL A 98 4.792 -1.475 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.162 0.660 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.114 -0.741 -7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.452 0.403 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.757 0.766 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.968 0.550 -9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.876 -0.525 -8.462 1.00 0.00 H new ATOM 1441 N PHE A 99 6.370 -3.569 -7.888 1.00 0.00 N ATOM 1442 CA PHE A 99 7.548 -4.429 -7.510 1.00 0.00 C ATOM 1443 C PHE A 99 7.979 -5.437 -8.594 1.00 0.00 C ATOM 1444 O PHE A 99 9.118 -5.413 -9.018 1.00 0.00 O ATOM 1445 CB PHE A 99 7.196 -5.168 -6.177 1.00 0.00 C ATOM 1446 CG PHE A 99 8.515 -5.518 -5.454 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.301 -6.600 -5.815 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.939 -4.712 -4.418 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.491 -6.858 -5.146 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.117 -4.965 -3.755 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.896 -6.034 -4.111 1.00 0.00 C ATOM 0 H PHE A 99 5.601 -3.580 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 99 8.409 -3.771 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.573 -4.535 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.625 -6.073 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.987 -7.247 -6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.335 -3.867 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.100 -7.702 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.430 -4.317 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.820 -6.232 -3.588 1.00 0.00 H new ATOM 1461 N THR A 100 7.045 -6.268 -9.002 1.00 0.00 N ATOM 1462 CA THR A 100 7.315 -7.324 -10.063 1.00 0.00 C ATOM 1463 C THR A 100 7.965 -6.732 -11.297 1.00 0.00 C ATOM 1464 O THR A 100 8.753 -7.374 -11.965 1.00 0.00 O ATOM 1465 CB THR A 100 5.990 -8.073 -10.563 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.730 -7.761 -11.934 1.00 0.00 O ATOM 1467 CG2 THR A 100 4.718 -7.519 -9.949 1.00 0.00 C ATOM 0 H THR A 100 6.089 -6.267 -8.645 1.00 0.00 H new ATOM 0 HA THR A 100 7.978 -8.035 -9.569 1.00 0.00 H new ATOM 0 HB THR A 100 6.182 -9.119 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.919 -8.226 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.859 -8.071 -10.331 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.763 -7.622 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.617 -6.466 -10.210 1.00 0.00 H new ATOM 1475 N LYS A 101 7.604 -5.502 -11.543 1.00 0.00 N ATOM 1476 CA LYS A 101 8.135 -4.776 -12.717 1.00 0.00 C ATOM 1477 C LYS A 101 9.403 -3.935 -12.452 1.00 0.00 C ATOM 1478 O LYS A 101 10.283 -3.922 -13.285 1.00 0.00 O ATOM 1479 CB LYS A 101 6.999 -3.873 -13.259 1.00 0.00 C ATOM 1480 CG LYS A 101 5.808 -4.744 -13.738 1.00 0.00 C ATOM 1481 CD LYS A 101 4.720 -3.799 -14.322 1.00 0.00 C ATOM 1482 CE LYS A 101 3.548 -4.610 -14.876 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.646 -3.676 -15.631 1.00 0.00 N ATOM 0 H LYS A 101 6.953 -4.967 -10.968 1.00 0.00 H new ATOM 0 HA LYS A 101 8.454 -5.525 -13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.667 -3.186 -12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.370 -3.265 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.138 -5.457 -14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.403 -5.324 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.366 -3.120 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.150 -3.184 -15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.910 -5.402 -15.532 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.003 -5.092 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.840 -4.208 -16.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.297 -2.936 -14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.176 -3.236 -16.410 1.00 0.00 H new ATOM 1497 N ILE A 102 9.502 -3.255 -11.339 1.00 0.00 N ATOM 1498 CA ILE A 102 10.715 -2.409 -11.025 1.00 0.00 C ATOM 1499 C ILE A 102 11.901 -3.118 -10.330 1.00 0.00 C ATOM 1500 O ILE A 102 13.020 -2.657 -10.494 1.00 0.00 O ATOM 1501 CB ILE A 102 10.263 -1.178 -10.142 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.777 -1.554 -8.707 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.138 -0.384 -10.860 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.969 -1.666 -7.701 1.00 0.00 C ATOM 0 H ILE A 102 8.784 -3.244 -10.615 1.00 0.00 H new ATOM 0 HA ILE A 102 11.107 -2.118 -12.000 1.00 0.00 H new ATOM 0 HB ILE A 102 11.160 -0.570 -10.020 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.072 -0.802 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.240 -2.502 -8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.837 0.461 -10.241 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.506 -0.018 -11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.281 -1.037 -11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.589 -1.929 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.661 -2.437 -8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.490 -0.710 -7.646 1.00 0.00 H new ATOM 1516 N ASP A 103 11.677 -4.180 -9.587 1.00 0.00 N ATOM 1517 CA ASP A 103 12.840 -4.849 -8.934 1.00 0.00 C ATOM 1518 C ASP A 103 13.375 -5.840 -10.006 1.00 0.00 C ATOM 1519 O ASP A 103 12.783 -6.823 -10.408 1.00 0.00 O ATOM 1520 CB ASP A 103 12.354 -5.576 -7.605 1.00 0.00 C ATOM 1521 CG ASP A 103 13.551 -6.214 -6.857 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.498 -6.508 -7.565 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.474 -6.381 -5.648 1.00 0.00 O ATOM 0 H ASP A 103 10.764 -4.599 -9.410 1.00 0.00 H new ATOM 0 HA ASP A 103 13.628 -4.162 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.854 -4.858 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.623 -6.345 -7.853 1.00 0.00 H new ATOM 1528 N THR A 104 14.548 -5.493 -10.447 1.00 0.00 N ATOM 1529 CA THR A 104 15.289 -6.267 -11.496 1.00 0.00 C ATOM 1530 C THR A 104 16.186 -7.371 -10.968 1.00 0.00 C ATOM 1531 O THR A 104 16.782 -8.084 -11.754 1.00 0.00 O ATOM 1532 CB THR A 104 16.133 -5.276 -12.303 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.891 -4.565 -11.332 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.244 -4.183 -12.889 1.00 0.00 C ATOM 0 H THR A 104 15.050 -4.670 -10.113 1.00 0.00 H new ATOM 0 HA THR A 104 14.536 -6.773 -12.101 1.00 0.00 H new ATOM 0 HB THR A 104 16.693 -5.807 -13.073 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.573 -4.024 -11.782 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.855 -3.484 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.498 -4.633 -13.544 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.743 -3.650 -12.081 1.00 0.00 H new ATOM 1542 N ASN A 105 16.261 -7.494 -9.671 1.00 0.00 N ATOM 1543 CA ASN A 105 17.125 -8.561 -9.053 1.00 0.00 C ATOM 1544 C ASN A 105 16.297 -9.657 -8.348 1.00 0.00 C ATOM 1545 O ASN A 105 16.635 -10.827 -8.371 1.00 0.00 O ATOM 1546 CB ASN A 105 18.087 -7.865 -8.054 1.00 0.00 C ATOM 1547 CG ASN A 105 17.308 -6.914 -7.168 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.206 -5.741 -7.431 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.727 -7.364 -6.107 1.00 0.00 N ATOM 0 H ASN A 105 15.763 -6.904 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 105 17.683 -9.070 -9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.594 -8.612 -7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.859 -7.320 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.195 -6.731 -5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.800 -8.352 -5.866 1.00 0.00 H new ATOM 1556 N GLY A 106 15.239 -9.239 -7.713 1.00 0.00 N ATOM 1557 CA GLY A 106 14.336 -10.189 -6.987 1.00 0.00 C ATOM 1558 C GLY A 106 14.694 -10.221 -5.517 1.00 0.00 C ATOM 1559 O GLY A 106 13.875 -9.938 -4.670 1.00 0.00 O ATOM 0 H GLY A 106 14.952 -8.261 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.297 -9.883 -7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.426 -11.188 -7.414 1.00 0.00 H new ATOM 1563 N ILE A 107 15.932 -10.574 -5.273 1.00 0.00 N ATOM 1564 CA ILE A 107 16.549 -10.690 -3.902 1.00 0.00 C ATOM 1565 C ILE A 107 15.875 -9.842 -2.798 1.00 0.00 C ATOM 1566 O ILE A 107 15.584 -10.305 -1.710 1.00 0.00 O ATOM 1567 CB ILE A 107 18.041 -10.310 -4.047 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.778 -11.140 -5.164 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.754 -10.512 -2.685 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.411 -12.647 -5.111 1.00 0.00 C ATOM 0 H ILE A 107 16.587 -10.803 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 107 16.408 -11.716 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 107 18.084 -9.264 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.519 -10.739 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.856 -11.026 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.806 -10.245 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.287 -9.877 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.671 -11.556 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 107 18.943 -13.179 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 107 18.695 -13.057 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 107 17.337 -12.765 -5.254 1.00 0.00 H new ATOM 1582 N GLY A 108 15.660 -8.589 -3.115 1.00 0.00 N ATOM 1583 CA GLY A 108 15.003 -7.641 -2.146 1.00 0.00 C ATOM 1584 C GLY A 108 13.845 -8.357 -1.456 1.00 0.00 C ATOM 1585 O GLY A 108 13.776 -8.451 -0.248 1.00 0.00 O ATOM 0 H GLY A 108 15.912 -8.173 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.727 -7.297 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.640 -6.758 -2.671 1.00 0.00 H new ATOM 1589 N TYR A 109 12.980 -8.870 -2.291 1.00 0.00 N ATOM 1590 CA TYR A 109 11.776 -9.602 -1.801 1.00 0.00 C ATOM 1591 C TYR A 109 12.092 -10.587 -0.643 1.00 0.00 C ATOM 1592 O TYR A 109 11.337 -10.697 0.306 1.00 0.00 O ATOM 1593 CB TYR A 109 11.165 -10.343 -2.985 1.00 0.00 C ATOM 1594 CG TYR A 109 9.782 -10.851 -2.536 1.00 0.00 C ATOM 1595 CD1 TYR A 109 8.684 -10.018 -2.634 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.606 -12.121 -2.023 1.00 0.00 C ATOM 1597 CE1 TYR A 109 7.439 -10.454 -2.228 1.00 0.00 C ATOM 1598 CE2 TYR A 109 8.353 -12.551 -1.619 1.00 0.00 C ATOM 1599 CZ TYR A 109 7.265 -11.716 -1.722 1.00 0.00 C ATOM 1600 OH TYR A 109 6.013 -12.136 -1.335 1.00 0.00 O ATOM 0 H TYR A 109 13.059 -8.812 -3.306 1.00 0.00 H new ATOM 0 HA TYR A 109 11.074 -8.877 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.071 -9.682 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 109 11.801 -11.175 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.801 -9.020 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.453 -12.785 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.590 -9.792 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.230 -13.547 -1.221 1.00 0.00 H new ATOM 0 HH TYR A 109 6.065 -13.056 -1.000 1.00 0.00 H new ATOM 1610 N GLN A 110 13.214 -11.257 -0.778 1.00 0.00 N ATOM 1611 CA GLN A 110 13.693 -12.258 0.233 1.00 0.00 C ATOM 1612 C GLN A 110 14.307 -11.494 1.418 1.00 0.00 C ATOM 1613 O GLN A 110 14.047 -11.817 2.561 1.00 0.00 O ATOM 1614 CB GLN A 110 14.778 -13.204 -0.425 1.00 0.00 C ATOM 1615 CG GLN A 110 14.131 -14.208 -1.469 1.00 0.00 C ATOM 1616 CD GLN A 110 15.143 -15.145 -2.178 1.00 0.00 C ATOM 1617 OE1 GLN A 110 14.796 -16.163 -2.738 1.00 0.00 O ATOM 1618 NE2 GLN A 110 16.410 -14.870 -2.208 1.00 0.00 N ATOM 0 H GLN A 110 13.839 -11.147 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 110 12.862 -12.872 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.534 -12.598 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.288 -13.770 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.390 -14.819 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.599 -13.631 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.760 -14.026 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.057 -15.497 -2.686 1.00 0.00 H new ATOM 1627 N GLN A 111 15.107 -10.505 1.100 1.00 0.00 N ATOM 1628 CA GLN A 111 15.769 -9.678 2.171 1.00 0.00 C ATOM 1629 C GLN A 111 14.672 -9.129 3.111 1.00 0.00 C ATOM 1630 O GLN A 111 14.862 -8.997 4.303 1.00 0.00 O ATOM 1631 CB GLN A 111 16.560 -8.523 1.491 1.00 0.00 C ATOM 1632 CG GLN A 111 17.631 -7.953 2.493 1.00 0.00 C ATOM 1633 CD GLN A 111 18.805 -8.917 2.728 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.663 -10.072 3.059 1.00 0.00 O ATOM 1635 NE2 GLN A 111 20.019 -8.498 2.574 1.00 0.00 N ATOM 0 H GLN A 111 15.334 -10.230 0.144 1.00 0.00 H new ATOM 0 HA GLN A 111 16.467 -10.275 2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.050 -8.887 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.876 -7.731 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.015 -7.008 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.149 -7.736 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 111 20.194 -7.532 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 111 20.802 -9.133 2.731 1.00 0.00 H new ATOM 1644 N GLY A 112 13.552 -8.805 2.518 1.00 0.00 N ATOM 1645 CA GLY A 112 12.382 -8.271 3.296 1.00 0.00 C ATOM 1646 C GLY A 112 11.821 -6.957 2.785 1.00 0.00 C ATOM 1647 O GLY A 112 10.627 -6.739 2.857 1.00 0.00 O ATOM 0 H GLY A 112 13.392 -8.887 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.587 -9.017 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.684 -8.141 4.335 1.00 0.00 H new ATOM 1651 N HIS A 113 12.695 -6.109 2.314 1.00 0.00 N ATOM 1652 CA HIS A 113 12.251 -4.780 1.785 1.00 0.00 C ATOM 1653 C HIS A 113 13.227 -4.199 0.744 1.00 0.00 C ATOM 1654 O HIS A 113 14.361 -4.621 0.624 1.00 0.00 O ATOM 1655 CB HIS A 113 12.121 -3.836 3.002 1.00 0.00 C ATOM 1656 CG HIS A 113 13.522 -3.658 3.595 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.457 -2.966 3.037 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.101 -4.147 4.754 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.523 -3.009 3.769 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.347 -3.732 4.845 1.00 0.00 N ATOM 0 H HIS A 113 13.700 -6.277 2.271 1.00 0.00 H new ATOM 0 HA HIS A 113 11.301 -4.893 1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.707 -2.874 2.699 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.441 -4.256 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.603 -4.776 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.447 -2.508 3.521 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.021 -3.929 5.585 1.00 0.00 H new ATOM 1668 N LEU A 114 12.765 -3.224 0.018 1.00 0.00 N ATOM 1669 CA LEU A 114 13.627 -2.577 -1.018 1.00 0.00 C ATOM 1670 C LEU A 114 13.757 -1.075 -0.693 1.00 0.00 C ATOM 1671 O LEU A 114 12.893 -0.511 -0.046 1.00 0.00 O ATOM 1672 CB LEU A 114 12.930 -2.874 -2.357 1.00 0.00 C ATOM 1673 CG LEU A 114 13.727 -2.384 -3.606 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.167 -2.931 -3.601 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.030 -2.949 -4.857 1.00 0.00 C ATOM 0 H LEU A 114 11.822 -2.842 0.094 1.00 0.00 H new ATOM 0 HA LEU A 114 14.649 -2.953 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.767 -3.949 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.948 -2.402 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 114 13.757 -1.294 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.696 -2.572 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.683 -2.588 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.142 -4.021 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.564 -2.624 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.028 -4.038 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.003 -2.586 -4.897 1.00 0.00 H new ATOM 1687 N ASN A 115 14.819 -0.452 -1.132 1.00 0.00 N ATOM 1688 CA ASN A 115 14.982 0.999 -0.840 1.00 0.00 C ATOM 1689 C ASN A 115 14.663 1.717 -2.149 1.00 0.00 C ATOM 1690 O ASN A 115 15.433 1.750 -3.091 1.00 0.00 O ATOM 1691 CB ASN A 115 16.425 1.247 -0.374 1.00 0.00 C ATOM 1692 CG ASN A 115 16.488 2.572 0.386 1.00 0.00 C ATOM 1693 OD1 ASN A 115 17.263 2.735 1.295 1.00 0.00 O ATOM 1694 ND2 ASN A 115 15.721 3.567 0.090 1.00 0.00 N ATOM 0 H ASN A 115 15.571 -0.880 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 115 14.327 1.361 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.758 0.431 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.097 1.274 -1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.789 4.438 0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.047 3.483 -0.671 1.00 0.00 H new ATOM 1701 N VAL A 116 13.481 2.273 -2.118 1.00 0.00 N ATOM 1702 CA VAL A 116 12.941 3.028 -3.295 1.00 0.00 C ATOM 1703 C VAL A 116 12.397 4.400 -2.849 1.00 0.00 C ATOM 1704 O VAL A 116 12.426 4.776 -1.686 1.00 0.00 O ATOM 1705 CB VAL A 116 11.783 2.167 -4.011 1.00 0.00 C ATOM 1706 CG1 VAL A 116 12.041 0.652 -3.905 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.352 2.423 -3.492 1.00 0.00 C ATOM 0 H VAL A 116 12.854 2.237 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 116 13.747 3.196 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 116 11.833 2.511 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.236 0.110 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.990 0.410 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.080 0.362 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.649 1.795 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.302 2.184 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.093 3.471 -3.640 1.00 0.00 H new ATOM 1717 N ASN A 117 11.907 5.119 -3.826 1.00 0.00 N ATOM 1718 CA ASN A 117 11.321 6.488 -3.604 1.00 0.00 C ATOM 1719 C ASN A 117 9.854 6.496 -4.065 1.00 0.00 C ATOM 1720 O ASN A 117 9.570 5.946 -5.118 1.00 0.00 O ATOM 1721 CB ASN A 117 12.171 7.468 -4.418 1.00 0.00 C ATOM 1722 CG ASN A 117 13.549 7.375 -3.829 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.878 8.028 -2.874 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.415 6.572 -4.324 1.00 0.00 N ATOM 0 H ASN A 117 11.886 4.810 -4.798 1.00 0.00 H new ATOM 0 HA ASN A 117 11.332 6.772 -2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.176 7.202 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.780 8.483 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.344 6.504 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.176 6.000 -5.134 1.00 0.00 H new ATOM 1731 N TYR A 118 8.983 7.113 -3.296 1.00 0.00 N ATOM 1732 CA TYR A 118 7.547 7.152 -3.692 1.00 0.00 C ATOM 1733 C TYR A 118 6.999 8.569 -3.441 1.00 0.00 C ATOM 1734 O TYR A 118 7.187 9.211 -2.417 1.00 0.00 O ATOM 1735 CB TYR A 118 6.765 6.029 -2.875 1.00 0.00 C ATOM 1736 CG TYR A 118 6.484 6.286 -1.368 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.640 7.306 -0.968 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.055 5.490 -0.384 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.375 7.524 0.365 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.786 5.717 0.960 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.944 6.733 1.334 1.00 0.00 C ATOM 1742 OH TYR A 118 5.644 6.993 2.652 1.00 0.00 O ATOM 0 H TYR A 118 9.208 7.585 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 118 7.415 6.939 -4.753 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.808 5.862 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.332 5.102 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.182 7.941 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.716 4.684 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.712 8.326 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.242 5.091 1.713 1.00 0.00 H new ATOM 0 HH TYR A 118 5.191 7.859 2.720 1.00 0.00 H new ATOM 1752 N GLN A 119 6.315 9.020 -4.461 1.00 0.00 N ATOM 1753 CA GLN A 119 5.693 10.377 -4.445 1.00 0.00 C ATOM 1754 C GLN A 119 4.238 10.195 -4.958 1.00 0.00 C ATOM 1755 O GLN A 119 4.006 9.462 -5.913 1.00 0.00 O ATOM 1756 CB GLN A 119 6.532 11.312 -5.394 1.00 0.00 C ATOM 1757 CG GLN A 119 8.094 11.248 -5.106 1.00 0.00 C ATOM 1758 CD GLN A 119 8.613 12.049 -3.911 1.00 0.00 C ATOM 1759 OE1 GLN A 119 8.850 13.230 -3.983 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.824 11.476 -2.773 1.00 0.00 N ATOM 0 H GLN A 119 6.159 8.494 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 119 5.679 10.831 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.347 11.029 -6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.189 12.340 -5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.369 10.204 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.617 11.593 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.639 10.479 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.176 12.020 -1.985 1.00 0.00 H new ATOM 1769 N PHE A 120 3.305 10.851 -4.314 1.00 0.00 N ATOM 1770 CA PHE A 120 1.873 10.725 -4.767 1.00 0.00 C ATOM 1771 C PHE A 120 1.720 11.349 -6.182 1.00 0.00 C ATOM 1772 O PHE A 120 2.417 12.274 -6.548 1.00 0.00 O ATOM 1773 CB PHE A 120 0.952 11.456 -3.726 1.00 0.00 C ATOM 1774 CG PHE A 120 0.643 10.566 -2.493 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.659 9.991 -1.750 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.670 10.327 -2.099 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.362 9.206 -0.653 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.961 9.547 -1.009 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.050 8.984 -0.284 1.00 0.00 C ATOM 0 H PHE A 120 3.461 11.458 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 120 1.581 9.677 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.437 12.375 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.018 11.743 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.689 10.157 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.479 10.766 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.162 8.762 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.989 9.378 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.175 8.368 0.574 1.00 0.00 H new ATOM 1789 N VAL A 121 0.821 10.808 -6.967 1.00 0.00 N ATOM 1790 CA VAL A 121 0.598 11.342 -8.351 1.00 0.00 C ATOM 1791 C VAL A 121 -0.811 11.070 -8.929 1.00 0.00 C ATOM 1792 O VAL A 121 -1.371 10.024 -8.687 1.00 0.00 O ATOM 1793 CB VAL A 121 1.718 10.699 -9.237 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.115 9.860 -10.376 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.571 11.780 -9.886 1.00 0.00 C ATOM 0 H VAL A 121 0.230 10.018 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 121 0.652 12.430 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 121 2.317 10.069 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.918 9.427 -10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.504 9.061 -9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.495 10.496 -11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.344 11.315 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.942 12.412 -10.514 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.038 12.389 -9.112 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.378 11.987 -9.658 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.721 11.690 -10.225 1.00 0.00 C ATOM 1807 C ASP A 122 -2.562 11.020 -11.645 1.00 0.00 C ATOM 1808 O ASP A 122 -1.776 11.477 -12.459 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.479 13.027 -10.294 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.975 12.774 -10.474 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -5.313 11.763 -11.076 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.672 13.646 -9.983 1.00 0.00 O ATOM 0 H ASP A 122 -0.986 12.902 -9.881 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.280 10.986 -9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.306 13.599 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.101 13.626 -11.123 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.306 9.978 -11.915 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.212 9.284 -13.266 1.00 0.00 C ATOM 1819 C CYS A 123 -4.196 9.897 -14.282 1.00 0.00 C ATOM 1820 O CYS A 123 -4.035 9.766 -15.480 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.618 7.793 -13.222 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.662 6.493 -12.411 1.00 0.00 S ATOM 0 H CYS A 123 -3.979 9.567 -11.268 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.165 9.404 -13.546 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.610 7.764 -12.771 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.731 7.481 -14.260 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.178 10.551 -13.732 1.00 0.00 N ATOM 1828 CA ARG A 124 -6.252 11.210 -14.528 1.00 0.00 C ATOM 1829 C ARG A 124 -6.764 10.403 -15.753 1.00 0.00 C ATOM 1830 O ARG A 124 -7.073 11.009 -16.760 1.00 0.00 O ATOM 1831 CB ARG A 124 -5.682 12.595 -14.951 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.416 13.444 -13.681 1.00 0.00 C ATOM 1833 CD ARG A 124 -5.007 14.867 -14.054 1.00 0.00 C ATOM 1834 NE ARG A 124 -6.097 15.450 -14.917 1.00 0.00 N ATOM 1835 CZ ARG A 124 -7.244 15.740 -14.434 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -7.304 16.629 -13.536 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -8.263 15.125 -14.879 1.00 0.00 N ATOM 0 H ARG A 124 -5.285 10.660 -12.724 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.144 11.294 -13.908 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.759 12.465 -15.516 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.387 13.108 -15.605 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.312 13.469 -13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.630 12.979 -13.086 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -4.866 15.471 -13.158 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.057 14.863 -14.589 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.915 15.616 -15.907 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -6.452 17.091 -13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -8.204 16.884 -13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.155 14.418 -15.606 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.189 15.339 -14.509 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.835 9.099 -15.590 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.311 8.124 -16.661 1.00 0.00 C ATOM 1853 C ASP A 125 -8.822 8.368 -16.964 1.00 0.00 C ATOM 1854 O ASP A 125 -9.101 8.594 -18.131 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.085 6.634 -16.134 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.222 5.464 -17.147 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.956 5.433 -18.117 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.512 4.508 -16.876 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.617 8.315 -16.030 1.00 0.00 O ATOM 0 H ASP A 125 -6.571 8.639 -14.718 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.746 8.275 -17.581 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.086 6.583 -15.701 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.793 6.457 -15.324 1.00 0.00 H new TER 1864 ASP A 125