USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1042 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 52 GLN :FLIP amide:sc= -1.51! C(o=-14!,f=-7.9!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.465 USER MOD Set 1.3: A 107 MET CE :methyl -167:sc= -5.96! (180deg=-6.91!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.062) USER MOD Single : A 7 THR OG1 : rot -48:sc= 0.0356 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.568 F(o=-2.5,f=-0.57) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 112:sc= 0.456 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 21:sc= 0.43 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-3.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 45 SER OG : rot 100:sc= 1.02 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-5.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 61 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.54) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : A 64 SER OG : rot 124:sc= -2.17! USER MOD Single : A 70 ASN : amide:sc= -6.89! C(o=-6.9!,f=-8.6!) USER MOD Single : A 74 LYS NZ :NH3+ 140:sc= -0.275 (180deg=-2.16!) USER MOD Single : A 83 SER OG : rot 22:sc= 0.0314 USER MOD Single : A 84 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.8) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 62:sc= -0.259! USER MOD Single : A 89 ASN :FLIP amide:sc= -2.62! C(o=-4.5!,f=-2.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00111 USER MOD Single : A 97 SER OG : rot 43:sc= 0.22 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.14) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 172:sc= 0.023 USER MOD Single : A 114 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.66) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 100:sc= -1.02 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.398 -23.449 0.064 1.00 0.00 N ATOM 2 CA SER A 1 14.558 -24.537 1.063 1.00 0.00 C ATOM 3 C SER A 1 13.555 -24.391 2.204 1.00 0.00 C ATOM 4 O SER A 1 13.491 -23.348 2.856 1.00 0.00 O ATOM 5 CB SER A 1 15.987 -24.492 1.608 1.00 0.00 C ATOM 6 OG SER A 1 16.162 -25.429 2.658 1.00 0.00 O ATOM 0 H1 SER A 1 15.093 -23.574 -0.700 1.00 0.00 H new ATOM 0 H2 SER A 1 13.437 -23.481 -0.333 1.00 0.00 H new ATOM 0 H3 SER A 1 14.552 -22.529 0.525 1.00 0.00 H new ATOM 0 HA SER A 1 14.369 -25.496 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.693 -24.705 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.210 -23.489 1.971 1.00 0.00 H new ATOM 0 HG SER A 1 17.083 -25.382 2.988 1.00 0.00 H new ATOM 14 N GLY A 2 12.775 -25.441 2.437 1.00 0.00 N ATOM 15 CA GLY A 2 11.785 -25.411 3.498 1.00 0.00 C ATOM 16 C GLY A 2 10.382 -25.670 2.989 1.00 0.00 C ATOM 17 O GLY A 2 10.169 -26.553 2.157 1.00 0.00 O ATOM 0 H GLY A 2 12.811 -26.313 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.039 -26.159 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.815 -24.440 3.992 1.00 0.00 H new ATOM 21 N PHE A 3 9.421 -24.899 3.488 1.00 0.00 N ATOM 22 CA PHE A 3 8.029 -25.049 3.079 1.00 0.00 C ATOM 23 C PHE A 3 7.822 -24.540 1.657 1.00 0.00 C ATOM 24 O PHE A 3 8.625 -23.760 1.144 1.00 0.00 O ATOM 25 CB PHE A 3 7.108 -24.297 4.042 1.00 0.00 C ATOM 26 CG PHE A 3 6.126 -25.187 4.750 1.00 0.00 C ATOM 27 CD1 PHE A 3 4.891 -25.464 4.185 1.00 0.00 C ATOM 28 CD2 PHE A 3 6.437 -25.743 5.980 1.00 0.00 C ATOM 29 CE1 PHE A 3 3.986 -26.282 4.835 1.00 0.00 C ATOM 30 CE2 PHE A 3 5.535 -26.560 6.635 1.00 0.00 C ATOM 31 CZ PHE A 3 4.308 -26.830 6.061 1.00 0.00 C ATOM 0 H PHE A 3 9.581 -24.164 4.177 1.00 0.00 H new ATOM 0 HA PHE A 3 7.781 -26.110 3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.716 -23.778 4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.561 -23.534 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.633 -25.036 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.395 -25.536 6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.027 -26.492 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.789 -26.987 7.594 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.602 -27.469 6.570 1.00 0.00 H new ATOM 41 N VAL A 4 6.742 -24.986 1.025 1.00 0.00 N ATOM 42 CA VAL A 4 6.429 -24.576 -0.338 1.00 0.00 C ATOM 43 C VAL A 4 5.660 -23.259 -0.355 1.00 0.00 C ATOM 44 O VAL A 4 4.633 -23.120 0.310 1.00 0.00 O ATOM 45 CB VAL A 4 5.601 -25.648 -1.072 1.00 0.00 C ATOM 46 CG1 VAL A 4 5.524 -25.339 -2.560 1.00 0.00 C ATOM 47 CG2 VAL A 4 6.190 -27.031 -0.838 1.00 0.00 C ATOM 0 H VAL A 4 6.068 -25.632 1.436 1.00 0.00 H new ATOM 0 HA VAL A 4 7.381 -24.445 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 4 4.588 -25.636 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.935 -26.107 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.052 -24.367 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.530 -25.321 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.592 -27.775 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.214 -27.058 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.187 -27.252 0.229 1.00 0.00 H new ATOM 57 N CYS A 5 6.166 -22.295 -1.118 1.00 0.00 N ATOM 58 CA CYS A 5 5.526 -20.988 -1.223 1.00 0.00 C ATOM 59 C CYS A 5 4.507 -20.973 -2.357 1.00 0.00 C ATOM 60 O CYS A 5 4.859 -21.144 -3.524 1.00 0.00 O ATOM 61 CB CYS A 5 6.576 -19.900 -1.452 1.00 0.00 C ATOM 62 SG CYS A 5 8.236 -20.323 -0.832 1.00 0.00 S ATOM 0 H CYS A 5 7.017 -22.394 -1.672 1.00 0.00 H new ATOM 0 HA CYS A 5 5.005 -20.789 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.641 -19.693 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.243 -18.982 -0.969 1.00 0.00 H new ATOM 67 N ASN A 6 3.242 -20.767 -2.006 1.00 0.00 N ATOM 68 CA ASN A 6 2.171 -20.730 -2.995 1.00 0.00 C ATOM 69 C ASN A 6 0.983 -19.922 -2.482 1.00 0.00 C ATOM 70 O ASN A 6 -0.161 -20.169 -2.864 1.00 0.00 O ATOM 71 CB ASN A 6 1.723 -22.150 -3.346 1.00 0.00 C ATOM 72 CG ASN A 6 1.080 -22.232 -4.716 1.00 0.00 C ATOM 73 OD1 ASN A 6 -0.144 -22.288 -4.838 1.00 0.00 O ATOM 74 ND2 ASN A 6 1.903 -22.238 -5.757 1.00 0.00 N ATOM 0 H ASN A 6 2.933 -20.623 -1.044 1.00 0.00 H new ATOM 0 HA ASN A 6 2.556 -20.245 -3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.583 -22.818 -3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.016 -22.501 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.527 -22.291 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.911 -22.190 -5.610 1.00 0.00 H new ATOM 81 N THR A 7 1.263 -18.955 -1.613 1.00 0.00 N ATOM 82 CA THR A 7 0.217 -18.111 -1.049 1.00 0.00 C ATOM 83 C THR A 7 -0.015 -16.879 -1.917 1.00 0.00 C ATOM 84 O THR A 7 -0.795 -15.995 -1.560 1.00 0.00 O ATOM 85 CB THR A 7 0.586 -17.685 0.375 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.574 -17.350 1.115 1.00 0.00 O ATOM 87 CG2 THR A 7 1.523 -16.493 0.427 1.00 0.00 C ATOM 0 H THR A 7 2.204 -18.737 -1.285 1.00 0.00 H new ATOM 0 HA THR A 7 -0.705 -18.691 -1.019 1.00 0.00 H new ATOM 0 HB THR A 7 1.098 -18.545 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.141 -16.754 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.741 -16.247 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.451 -16.737 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.051 -15.638 -0.057 1.00 0.00 H new ATOM 95 N CYS A 8 0.669 -16.822 -3.054 1.00 0.00 N ATOM 96 CA CYS A 8 0.538 -15.691 -3.963 1.00 0.00 C ATOM 97 C CYS A 8 0.063 -16.136 -5.344 1.00 0.00 C ATOM 98 O CYS A 8 0.849 -16.205 -6.289 1.00 0.00 O ATOM 99 CB CYS A 8 1.870 -14.945 -4.073 1.00 0.00 C ATOM 100 SG CYS A 8 2.777 -14.816 -2.497 1.00 0.00 S ATOM 0 H CYS A 8 1.318 -17.544 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.215 -15.018 -3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.500 -15.453 -4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.683 -13.942 -4.456 1.00 0.00 H new ATOM 105 N PRO A 9 -1.240 -16.443 -5.478 1.00 0.00 N ATOM 106 CA PRO A 9 -1.822 -16.882 -6.750 1.00 0.00 C ATOM 107 C PRO A 9 -2.016 -15.730 -7.733 1.00 0.00 C ATOM 108 O PRO A 9 -1.294 -15.620 -8.723 1.00 0.00 O ATOM 109 CB PRO A 9 -3.170 -17.469 -6.334 1.00 0.00 C ATOM 110 CG PRO A 9 -3.539 -16.735 -5.090 1.00 0.00 C ATOM 111 CD PRO A 9 -2.247 -16.389 -4.398 1.00 0.00 C ATOM 0 HA PRO A 9 -1.177 -17.588 -7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.920 -17.329 -7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.095 -18.541 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.106 -15.834 -5.325 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.170 -17.351 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.291 -15.400 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.018 -17.098 -3.602 1.00 0.00 H new ATOM 119 N GLU A 10 -2.998 -14.877 -7.456 1.00 0.00 N ATOM 120 CA GLU A 10 -3.291 -13.737 -8.318 1.00 0.00 C ATOM 121 C GLU A 10 -3.088 -12.419 -7.575 1.00 0.00 C ATOM 122 O GLU A 10 -2.059 -11.762 -7.730 1.00 0.00 O ATOM 123 CB GLU A 10 -4.724 -13.828 -8.844 1.00 0.00 C ATOM 124 CG GLU A 10 -5.129 -12.650 -9.713 1.00 0.00 C ATOM 125 CD GLU A 10 -5.664 -13.079 -11.066 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.776 -13.644 -11.113 1.00 0.00 O ATOM 127 OE2 GLU A 10 -4.968 -12.849 -12.079 1.00 0.00 O ATOM 0 H GLU A 10 -3.605 -14.954 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.599 -13.763 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.833 -14.747 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.409 -13.897 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.889 -12.066 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.268 -11.997 -9.857 1.00 0.00 H new ATOM 134 N LYS A 11 -4.080 -12.038 -6.775 1.00 0.00 N ATOM 135 CA LYS A 11 -4.019 -10.796 -6.008 1.00 0.00 C ATOM 136 C LYS A 11 -2.708 -10.698 -5.234 1.00 0.00 C ATOM 137 O LYS A 11 -2.046 -9.663 -5.242 1.00 0.00 O ATOM 138 CB LYS A 11 -5.201 -10.710 -5.041 1.00 0.00 C ATOM 139 CG LYS A 11 -6.549 -10.933 -5.708 1.00 0.00 C ATOM 140 CD LYS A 11 -7.696 -10.647 -4.754 1.00 0.00 C ATOM 141 CE LYS A 11 -8.568 -9.507 -5.257 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.016 -9.776 -5.038 1.00 0.00 N ATOM 0 H LYS A 11 -4.938 -12.573 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.070 -9.963 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.069 -11.450 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.199 -9.730 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.634 -10.290 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.616 -11.962 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.303 -11.545 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.299 -10.396 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.289 -8.585 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.385 -9.352 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.576 -8.975 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.289 -10.642 -5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.196 -9.899 -4.021 1.00 0.00 H new ATOM 156 N TRP A 12 -2.342 -11.789 -4.575 1.00 0.00 N ATOM 157 CA TRP A 12 -1.112 -11.841 -3.803 1.00 0.00 C ATOM 158 C TRP A 12 0.099 -11.873 -4.733 1.00 0.00 C ATOM 159 O TRP A 12 0.082 -12.548 -5.762 1.00 0.00 O ATOM 160 CB TRP A 12 -1.108 -13.070 -2.892 1.00 0.00 C ATOM 161 CG TRP A 12 -2.075 -12.977 -1.751 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.424 -12.778 -1.831 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.766 -13.081 -0.357 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.972 -12.753 -0.572 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.976 -12.936 0.350 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.586 -13.284 0.363 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.035 -12.988 1.740 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.646 -13.334 1.742 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.864 -13.188 2.419 1.00 0.00 C ATOM 0 H TRP A 12 -2.884 -12.653 -4.561 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.054 -10.945 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.345 -13.953 -3.486 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.103 -13.213 -2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.979 -12.658 -2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.960 -12.620 -0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.357 -13.400 -0.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.972 -12.874 2.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.261 -13.488 2.308 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.879 -13.234 3.498 1.00 0.00 H new ATOM 180 N ILE A 13 1.145 -11.136 -4.371 1.00 0.00 N ATOM 181 CA ILE A 13 2.356 -11.078 -5.185 1.00 0.00 C ATOM 182 C ILE A 13 3.611 -11.265 -4.334 1.00 0.00 C ATOM 183 O ILE A 13 3.820 -10.548 -3.360 1.00 0.00 O ATOM 184 CB ILE A 13 2.465 -9.735 -5.935 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.125 -8.980 -5.907 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.930 -9.969 -7.362 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.225 -9.256 -7.098 1.00 0.00 C ATOM 0 H ILE A 13 1.179 -10.572 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 13 2.284 -11.892 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 13 3.204 -9.114 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.591 -9.245 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.326 -7.910 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.003 -9.014 -7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.907 -10.453 -7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.214 -10.609 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.697 -8.684 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.736 -8.963 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.010 -10.320 -7.137 1.00 0.00 H new ATOM 199 N ASN A 14 4.450 -12.227 -4.717 1.00 0.00 N ATOM 200 CA ASN A 14 5.687 -12.508 -3.988 1.00 0.00 C ATOM 201 C ASN A 14 6.908 -12.016 -4.760 1.00 0.00 C ATOM 202 O ASN A 14 6.888 -11.934 -5.988 1.00 0.00 O ATOM 203 CB ASN A 14 5.815 -14.004 -3.707 1.00 0.00 C ATOM 204 CG ASN A 14 7.156 -14.369 -3.100 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.349 -14.021 -1.834 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 8.011 -14.957 -3.764 1.00 0.00 N flip ATOM 0 H ASN A 14 4.296 -12.825 -5.528 1.00 0.00 H new ATOM 0 HA ASN A 14 5.643 -11.971 -3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.018 -14.313 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.678 -14.558 -4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.821 -15.206 -4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.909 -15.195 -3.343 1.00 0.00 H new ATOM 213 N PHE A 15 7.968 -11.684 -4.027 1.00 0.00 N ATOM 214 CA PHE A 15 9.198 -11.191 -4.638 1.00 0.00 C ATOM 215 C PHE A 15 10.415 -11.946 -4.100 1.00 0.00 C ATOM 216 O PHE A 15 10.438 -13.177 -4.103 1.00 0.00 O ATOM 217 CB PHE A 15 9.346 -9.689 -4.382 1.00 0.00 C ATOM 218 CG PHE A 15 8.057 -8.931 -4.500 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.627 -8.452 -5.727 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.274 -8.700 -3.383 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.438 -7.757 -5.837 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.086 -8.005 -3.485 1.00 0.00 C ATOM 223 CZ PHE A 15 5.666 -7.532 -4.713 1.00 0.00 C ATOM 0 H PHE A 15 7.999 -11.748 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 15 9.142 -11.363 -5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.757 -9.538 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.066 -9.277 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.228 -8.624 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.596 -9.068 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.113 -7.390 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.485 -7.831 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.737 -6.988 -4.795 1.00 0.00 H new ATOM 233 N GLN A 16 11.423 -11.203 -3.643 1.00 0.00 N ATOM 234 CA GLN A 16 12.639 -11.806 -3.107 1.00 0.00 C ATOM 235 C GLN A 16 12.308 -12.867 -2.062 1.00 0.00 C ATOM 236 O GLN A 16 12.881 -13.957 -2.071 1.00 0.00 O ATOM 237 CB GLN A 16 13.540 -10.733 -2.493 1.00 0.00 C ATOM 238 CG GLN A 16 12.794 -9.745 -1.610 1.00 0.00 C ATOM 239 CD GLN A 16 13.057 -8.303 -1.999 1.00 0.00 C ATOM 240 OE1 GLN A 16 12.671 -7.859 -3.081 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.718 -7.563 -1.117 1.00 0.00 N ATOM 0 H GLN A 16 11.420 -10.183 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 16 13.167 -12.286 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.319 -11.218 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.039 -10.187 -3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.724 -9.945 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.088 -9.897 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.019 -7.972 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.925 -6.586 -1.324 1.00 0.00 H new ATOM 250 N ARG A 17 11.381 -12.545 -1.165 1.00 0.00 N ATOM 251 CA ARG A 17 10.979 -13.480 -0.121 1.00 0.00 C ATOM 252 C ARG A 17 9.684 -13.041 0.553 1.00 0.00 C ATOM 253 O ARG A 17 9.165 -13.736 1.426 1.00 0.00 O ATOM 254 CB ARG A 17 12.088 -13.623 0.923 1.00 0.00 C ATOM 255 CG ARG A 17 12.665 -12.294 1.381 1.00 0.00 C ATOM 256 CD ARG A 17 12.939 -12.292 2.877 1.00 0.00 C ATOM 257 NE ARG A 17 13.428 -10.996 3.342 1.00 0.00 N ATOM 258 CZ ARG A 17 14.705 -10.629 3.292 1.00 0.00 C ATOM 259 NH1 ARG A 17 15.618 -11.455 2.799 1.00 0.00 N ATOM 260 NH2 ARG A 17 15.070 -9.434 3.735 1.00 0.00 N ATOM 0 H ARG A 17 10.896 -11.648 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 17 10.804 -14.447 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.695 -14.157 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.890 -14.234 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.590 -12.092 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.970 -11.491 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.025 -12.548 3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.673 -13.062 3.112 1.00 0.00 H new ATOM 0 HE ARG A 17 12.752 -10.336 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.341 -12.375 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.597 -11.170 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.371 -8.795 4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.050 -9.153 3.696 1.00 0.00 H new ATOM 274 N LYS A 18 9.160 -11.892 0.141 1.00 0.00 N ATOM 275 CA LYS A 18 7.925 -11.378 0.704 1.00 0.00 C ATOM 276 C LYS A 18 6.821 -11.372 -0.329 1.00 0.00 C ATOM 277 O LYS A 18 7.067 -11.364 -1.531 1.00 0.00 O ATOM 278 CB LYS A 18 8.102 -9.965 1.242 1.00 0.00 C ATOM 279 CG LYS A 18 8.352 -8.934 0.160 1.00 0.00 C ATOM 280 CD LYS A 18 9.689 -8.242 0.355 1.00 0.00 C ATOM 281 CE LYS A 18 9.511 -6.829 0.885 1.00 0.00 C ATOM 282 NZ LYS A 18 10.811 -6.211 1.266 1.00 0.00 N ATOM 0 H LYS A 18 9.574 -11.302 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 18 7.653 -12.040 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.210 -9.684 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.936 -9.954 1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.329 -9.416 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.552 -8.193 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.301 -8.818 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.226 -8.211 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.026 -6.215 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.850 -6.847 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.646 -5.248 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.263 -6.782 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.433 -6.170 0.434 1.00 0.00 H new ATOM 296 N CYS A 19 5.605 -11.360 0.162 1.00 0.00 N ATOM 297 CA CYS A 19 4.431 -11.340 -0.686 1.00 0.00 C ATOM 298 C CYS A 19 3.550 -10.155 -0.326 1.00 0.00 C ATOM 299 O CYS A 19 3.735 -9.528 0.716 1.00 0.00 O ATOM 300 CB CYS A 19 3.648 -12.649 -0.557 1.00 0.00 C ATOM 301 SG CYS A 19 2.413 -12.918 -1.871 1.00 0.00 S ATOM 0 H CYS A 19 5.398 -11.364 1.161 1.00 0.00 H new ATOM 0 HA CYS A 19 4.752 -11.238 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.352 -13.481 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.143 -12.663 0.409 1.00 0.00 H new ATOM 306 N TYR A 20 2.599 -9.850 -1.191 1.00 0.00 N ATOM 307 CA TYR A 20 1.691 -8.737 -0.967 1.00 0.00 C ATOM 308 C TYR A 20 0.254 -9.220 -1.020 1.00 0.00 C ATOM 309 O TYR A 20 -0.123 -9.960 -1.921 1.00 0.00 O ATOM 310 CB TYR A 20 1.876 -7.654 -2.040 1.00 0.00 C ATOM 311 CG TYR A 20 3.034 -6.702 -1.814 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.061 -6.996 -0.925 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.089 -5.498 -2.503 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.107 -6.112 -0.730 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.129 -4.612 -2.315 1.00 0.00 C ATOM 316 CZ TYR A 20 5.136 -4.922 -1.428 1.00 0.00 C ATOM 317 OH TYR A 20 6.176 -4.041 -1.236 1.00 0.00 O ATOM 0 H TYR A 20 2.434 -10.360 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 20 1.915 -8.318 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.013 -8.143 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.957 -7.071 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.042 -7.928 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.302 -5.250 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.898 -6.352 -0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.154 -3.680 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 20 6.723 -3.999 -2.048 1.00 0.00 H new ATOM 327 N TYR A 21 -0.548 -8.781 -0.067 1.00 0.00 N ATOM 328 CA TYR A 21 -1.946 -9.155 -0.031 1.00 0.00 C ATOM 329 C TYR A 21 -2.761 -8.031 -0.651 1.00 0.00 C ATOM 330 O TYR A 21 -2.872 -6.942 -0.091 1.00 0.00 O ATOM 331 CB TYR A 21 -2.380 -9.420 1.414 1.00 0.00 C ATOM 332 CG TYR A 21 -3.876 -9.399 1.632 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.745 -9.978 0.715 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.417 -8.801 2.761 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.110 -9.961 0.917 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.780 -8.778 2.973 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.625 -9.360 2.048 1.00 0.00 C ATOM 338 OH TYR A 21 -7.984 -9.340 2.255 1.00 0.00 O ATOM 0 H TYR A 21 -0.253 -8.165 0.691 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.109 -10.071 -0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.994 -10.391 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.921 -8.673 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.345 -10.449 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.760 -8.345 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.772 -10.415 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.184 -8.308 3.857 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.180 -8.880 3.098 1.00 0.00 H new ATOM 348 N PHE A 22 -3.296 -8.300 -1.831 1.00 0.00 N ATOM 349 CA PHE A 22 -4.067 -7.318 -2.566 1.00 0.00 C ATOM 350 C PHE A 22 -5.566 -7.579 -2.440 1.00 0.00 C ATOM 351 O PHE A 22 -6.037 -8.685 -2.704 1.00 0.00 O ATOM 352 CB PHE A 22 -3.640 -7.356 -4.037 1.00 0.00 C ATOM 353 CG PHE A 22 -2.292 -6.730 -4.313 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.511 -6.231 -3.280 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.804 -6.647 -5.609 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.278 -5.662 -3.534 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.569 -6.078 -5.869 1.00 0.00 C ATOM 358 CZ PHE A 22 0.196 -5.585 -4.827 1.00 0.00 C ATOM 0 H PHE A 22 -3.207 -9.201 -2.302 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.874 -6.330 -2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.620 -8.394 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.394 -6.844 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.872 -6.288 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.396 -7.032 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.316 -5.277 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.203 -6.019 -6.884 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.161 -5.142 -5.025 1.00 0.00 H new ATOM 368 N GLY A 23 -6.308 -6.552 -2.034 1.00 0.00 N ATOM 369 CA GLY A 23 -7.745 -6.686 -1.879 1.00 0.00 C ATOM 370 C GLY A 23 -8.492 -5.425 -2.265 1.00 0.00 C ATOM 371 O GLY A 23 -7.886 -4.445 -2.701 1.00 0.00 O ATOM 0 H GLY A 23 -5.938 -5.628 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.097 -7.515 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.973 -6.937 -0.843 1.00 0.00 H new ATOM 375 N LYS A 24 -9.813 -5.448 -2.107 1.00 0.00 N ATOM 376 CA LYS A 24 -10.646 -4.299 -2.442 1.00 0.00 C ATOM 377 C LYS A 24 -11.349 -3.755 -1.203 1.00 0.00 C ATOM 378 O LYS A 24 -11.449 -4.438 -0.183 1.00 0.00 O ATOM 379 CB LYS A 24 -11.682 -4.684 -3.500 1.00 0.00 C ATOM 380 CG LYS A 24 -11.093 -4.869 -4.889 1.00 0.00 C ATOM 381 CD LYS A 24 -11.718 -6.058 -5.603 1.00 0.00 C ATOM 382 CE LYS A 24 -12.272 -5.664 -6.962 1.00 0.00 C ATOM 383 NZ LYS A 24 -13.357 -6.581 -7.407 1.00 0.00 N ATOM 0 H LYS A 24 -10.329 -6.251 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.998 -3.519 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.173 -5.609 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.452 -3.913 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.252 -3.965 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.015 -5.014 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.972 -6.843 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.518 -6.473 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.655 -4.644 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.468 -5.670 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.708 -6.278 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.986 -7.550 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.136 -6.557 -6.719 1.00 0.00 H new ATOM 397 N GLY A 25 -11.839 -2.522 -1.298 1.00 0.00 N ATOM 398 CA GLY A 25 -12.530 -1.907 -0.178 1.00 0.00 C ATOM 399 C GLY A 25 -12.296 -0.411 -0.098 1.00 0.00 C ATOM 400 O GLY A 25 -11.154 0.048 -0.134 1.00 0.00 O ATOM 0 H GLY A 25 -11.770 -1.938 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.599 -2.099 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.197 -2.373 0.749 1.00 0.00 H new ATOM 404 N THR A 26 -13.381 0.352 0.012 1.00 0.00 N ATOM 405 CA THR A 26 -13.290 1.805 0.098 1.00 0.00 C ATOM 406 C THR A 26 -13.320 2.268 1.552 1.00 0.00 C ATOM 407 O THR A 26 -14.215 1.899 2.312 1.00 0.00 O ATOM 408 CB THR A 26 -14.435 2.455 -0.680 1.00 0.00 C ATOM 409 OG1 THR A 26 -15.684 2.146 -0.087 1.00 0.00 O ATOM 410 CG2 THR A 26 -14.496 2.023 -2.129 1.00 0.00 C ATOM 0 H THR A 26 -14.333 -0.013 0.044 1.00 0.00 H new ATOM 0 HA THR A 26 -12.341 2.111 -0.342 1.00 0.00 H new ATOM 0 HB THR A 26 -14.235 3.526 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.546 1.882 0.847 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.331 2.521 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.566 2.293 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.636 0.943 -2.181 1.00 0.00 H new ATOM 418 N LYS A 27 -12.335 3.080 1.928 1.00 0.00 N ATOM 419 CA LYS A 27 -12.243 3.597 3.290 1.00 0.00 C ATOM 420 C LYS A 27 -11.127 4.636 3.400 1.00 0.00 C ATOM 421 O LYS A 27 -10.899 5.412 2.471 1.00 0.00 O ATOM 422 CB LYS A 27 -11.998 2.451 4.275 1.00 0.00 C ATOM 423 CG LYS A 27 -13.054 2.351 5.364 1.00 0.00 C ATOM 424 CD LYS A 27 -13.436 0.906 5.638 1.00 0.00 C ATOM 425 CE LYS A 27 -14.923 0.767 5.921 1.00 0.00 C ATOM 426 NZ LYS A 27 -15.416 -0.610 5.641 1.00 0.00 N ATOM 0 H LYS A 27 -11.589 3.394 1.308 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.188 4.080 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.965 1.511 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.021 2.584 4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.679 2.809 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.940 2.912 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.169 0.289 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.866 0.533 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.119 1.018 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.477 1.482 5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.434 -0.663 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.253 -0.840 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.906 -1.290 6.240 1.00 0.00 H new ATOM 440 N GLN A 28 -10.432 4.645 4.535 1.00 0.00 N ATOM 441 CA GLN A 28 -9.341 5.587 4.756 1.00 0.00 C ATOM 442 C GLN A 28 -8.012 4.850 4.899 1.00 0.00 C ATOM 443 O GLN A 28 -7.981 3.622 4.982 1.00 0.00 O ATOM 444 CB GLN A 28 -9.609 6.428 6.006 1.00 0.00 C ATOM 445 CG GLN A 28 -10.886 7.249 5.924 1.00 0.00 C ATOM 446 CD GLN A 28 -10.627 8.740 6.008 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.818 9.357 7.057 1.00 0.00 O ATOM 448 NE2 GLN A 28 -10.190 9.329 4.901 1.00 0.00 N ATOM 0 H GLN A 28 -10.606 4.011 5.315 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.281 6.247 3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.666 5.769 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.766 7.099 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.398 7.025 4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.556 6.954 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.045 8.779 4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.999 10.331 4.898 1.00 0.00 H new ATOM 457 N TRP A 29 -6.918 5.605 4.928 1.00 0.00 N ATOM 458 CA TRP A 29 -5.590 5.018 5.062 1.00 0.00 C ATOM 459 C TRP A 29 -5.457 4.270 6.382 1.00 0.00 C ATOM 460 O TRP A 29 -4.992 3.131 6.420 1.00 0.00 O ATOM 461 CB TRP A 29 -4.511 6.099 4.966 1.00 0.00 C ATOM 462 CG TRP A 29 -3.132 5.577 5.233 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.263 5.054 4.320 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.465 5.523 6.499 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.098 4.677 4.941 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.196 4.956 6.277 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.815 5.899 7.799 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.279 4.756 7.305 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -1.904 5.700 8.820 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.648 5.133 8.567 1.00 0.00 C ATOM 0 H TRP A 29 -6.925 6.623 4.861 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.454 4.309 4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.538 6.544 3.971 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.737 6.894 5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.462 4.952 3.264 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.290 4.257 4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.781 6.338 8.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.690 4.319 7.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.165 5.986 9.828 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.043 4.991 9.385 1.00 0.00 H new ATOM 481 N VAL A 30 -5.867 4.922 7.462 1.00 0.00 N ATOM 482 CA VAL A 30 -5.798 4.326 8.790 1.00 0.00 C ATOM 483 C VAL A 30 -6.521 2.988 8.823 1.00 0.00 C ATOM 484 O VAL A 30 -6.150 2.087 9.574 1.00 0.00 O ATOM 485 CB VAL A 30 -6.403 5.255 9.859 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.466 6.418 10.147 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.768 5.759 9.418 1.00 0.00 C ATOM 0 H VAL A 30 -6.252 5.866 7.444 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.743 4.173 9.015 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.532 4.685 10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.910 7.064 10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.512 6.035 10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.304 6.989 9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.180 6.414 10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.667 6.313 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.437 4.912 9.267 1.00 0.00 H new ATOM 497 N HIS A 31 -7.557 2.864 8.004 1.00 0.00 N ATOM 498 CA HIS A 31 -8.329 1.634 7.940 1.00 0.00 C ATOM 499 C HIS A 31 -7.527 0.526 7.270 1.00 0.00 C ATOM 500 O HIS A 31 -7.674 -0.648 7.610 1.00 0.00 O ATOM 501 CB HIS A 31 -9.640 1.864 7.186 1.00 0.00 C ATOM 502 CG HIS A 31 -10.732 2.426 8.043 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.113 3.751 8.005 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.528 1.834 8.966 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.094 3.950 8.868 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.364 2.803 9.463 1.00 0.00 N ATOM 0 H HIS A 31 -7.880 3.600 7.376 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.559 1.325 8.960 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.457 2.543 6.353 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.975 0.919 6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.508 0.794 9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.590 4.891 9.055 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.078 2.660 10.177 1.00 0.00 H new ATOM 515 N ALA A 32 -6.675 0.902 6.318 1.00 0.00 N ATOM 516 CA ALA A 32 -5.854 -0.074 5.615 1.00 0.00 C ATOM 517 C ALA A 32 -4.771 -0.629 6.530 1.00 0.00 C ATOM 518 O ALA A 32 -4.595 -1.840 6.633 1.00 0.00 O ATOM 519 CB ALA A 32 -5.229 0.552 4.378 1.00 0.00 C ATOM 0 H ALA A 32 -6.538 1.868 6.020 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.496 -0.898 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.618 -0.190 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.016 0.901 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.604 1.395 4.673 1.00 0.00 H new ATOM 525 N ARG A 33 -4.058 0.266 7.204 1.00 0.00 N ATOM 526 CA ARG A 33 -3.001 -0.139 8.119 1.00 0.00 C ATOM 527 C ARG A 33 -3.559 -0.989 9.254 1.00 0.00 C ATOM 528 O ARG A 33 -2.920 -1.942 9.699 1.00 0.00 O ATOM 529 CB ARG A 33 -2.280 1.086 8.690 1.00 0.00 C ATOM 530 CG ARG A 33 -3.217 2.149 9.233 1.00 0.00 C ATOM 531 CD ARG A 33 -3.132 2.246 10.748 1.00 0.00 C ATOM 532 NE ARG A 33 -3.028 3.630 11.202 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.185 4.034 12.149 1.00 0.00 C ATOM 534 NH1 ARG A 33 -1.378 3.163 12.739 1.00 0.00 N ATOM 535 NH2 ARG A 33 -2.149 5.311 12.506 1.00 0.00 N ATOM 0 H ARG A 33 -4.193 1.275 7.133 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.285 -0.738 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.610 0.763 9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.658 1.526 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.969 3.114 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.241 1.918 8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.014 1.784 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.267 1.683 11.100 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.635 4.326 10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.402 2.180 12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.733 3.476 13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.768 5.984 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.502 5.620 13.232 1.00 0.00 H new ATOM 549 N TYR A 34 -4.755 -0.639 9.717 1.00 0.00 N ATOM 550 CA TYR A 34 -5.397 -1.373 10.800 1.00 0.00 C ATOM 551 C TYR A 34 -5.890 -2.734 10.323 1.00 0.00 C ATOM 552 O TYR A 34 -5.850 -3.715 11.067 1.00 0.00 O ATOM 553 CB TYR A 34 -6.564 -0.564 11.370 1.00 0.00 C ATOM 554 CG TYR A 34 -6.854 -0.863 12.823 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.726 -1.883 13.181 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.256 -0.125 13.836 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.996 -2.158 14.508 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.520 -0.395 15.166 1.00 0.00 C ATOM 559 CZ TYR A 34 -7.389 -1.412 15.496 1.00 0.00 C ATOM 560 OH TYR A 34 -7.654 -1.683 16.819 1.00 0.00 O ATOM 0 H TYR A 34 -5.298 0.147 9.359 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.657 -1.533 11.584 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.345 0.498 11.263 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.458 -0.767 10.780 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.201 -2.471 12.410 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.574 0.673 13.581 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.679 -2.953 14.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.047 0.188 15.942 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.145 -1.068 17.387 1.00 0.00 H new ATOM 570 N ALA A 35 -6.359 -2.786 9.082 1.00 0.00 N ATOM 571 CA ALA A 35 -6.864 -4.027 8.508 1.00 0.00 C ATOM 572 C ALA A 35 -5.746 -5.041 8.307 1.00 0.00 C ATOM 573 O ALA A 35 -5.923 -6.232 8.562 1.00 0.00 O ATOM 574 CB ALA A 35 -7.575 -3.751 7.192 1.00 0.00 C ATOM 0 H ALA A 35 -6.400 -1.983 8.454 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.579 -4.455 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.946 -4.687 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.411 -3.074 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.877 -3.294 6.490 1.00 0.00 H new ATOM 580 N CYS A 36 -4.596 -4.561 7.854 1.00 0.00 N ATOM 581 CA CYS A 36 -3.449 -5.428 7.626 1.00 0.00 C ATOM 582 C CYS A 36 -2.788 -5.795 8.949 1.00 0.00 C ATOM 583 O CYS A 36 -2.154 -6.843 9.071 1.00 0.00 O ATOM 584 CB CYS A 36 -2.438 -4.746 6.704 1.00 0.00 C ATOM 585 SG CYS A 36 -3.188 -3.879 5.287 1.00 0.00 S ATOM 0 H CYS A 36 -4.433 -3.578 7.638 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.799 -6.341 7.145 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.856 -4.032 7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.741 -5.496 6.330 1.00 0.00 H new ATOM 590 N ASP A 37 -2.947 -4.922 9.939 1.00 0.00 N ATOM 591 CA ASP A 37 -2.373 -5.148 11.261 1.00 0.00 C ATOM 592 C ASP A 37 -3.164 -6.204 12.026 1.00 0.00 C ATOM 593 O ASP A 37 -2.651 -6.823 12.957 1.00 0.00 O ATOM 594 CB ASP A 37 -2.342 -3.843 12.057 1.00 0.00 C ATOM 595 CG ASP A 37 -0.944 -3.483 12.522 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.041 -3.380 11.667 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.753 -3.305 13.744 1.00 0.00 O ATOM 0 H ASP A 37 -3.469 -4.050 9.850 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.353 -5.509 11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.736 -3.035 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.998 -3.933 12.923 1.00 0.00 H new ATOM 602 N ASP A 38 -4.420 -6.395 11.631 1.00 0.00 N ATOM 603 CA ASP A 38 -5.290 -7.367 12.283 1.00 0.00 C ATOM 604 C ASP A 38 -4.696 -8.771 12.228 1.00 0.00 C ATOM 605 O ASP A 38 -4.785 -9.528 13.195 1.00 0.00 O ATOM 606 CB ASP A 38 -6.673 -7.362 11.629 1.00 0.00 C ATOM 607 CG ASP A 38 -7.707 -6.638 12.469 1.00 0.00 C ATOM 608 OD1 ASP A 38 -8.044 -7.143 13.560 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.180 -5.567 12.035 1.00 0.00 O ATOM 0 H ASP A 38 -4.858 -5.888 10.861 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.384 -7.079 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.607 -6.887 10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.998 -8.389 11.464 1.00 0.00 H new ATOM 614 N MET A 39 -4.090 -9.112 11.094 1.00 0.00 N ATOM 615 CA MET A 39 -3.483 -10.430 10.917 1.00 0.00 C ATOM 616 C MET A 39 -2.819 -10.563 9.548 1.00 0.00 C ATOM 617 O MET A 39 -1.885 -11.348 9.383 1.00 0.00 O ATOM 618 CB MET A 39 -4.537 -11.528 11.084 1.00 0.00 C ATOM 619 CG MET A 39 -5.757 -11.341 10.196 1.00 0.00 C ATOM 620 SD MET A 39 -7.289 -11.832 11.010 1.00 0.00 S ATOM 621 CE MET A 39 -8.129 -12.674 9.671 1.00 0.00 C ATOM 0 H MET A 39 -4.006 -8.496 10.285 1.00 0.00 H new ATOM 0 HA MET A 39 -2.715 -10.542 11.682 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.082 -12.493 10.863 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.857 -11.557 12.126 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.828 -10.295 9.898 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.631 -11.925 9.284 1.00 0.00 H new ATOM 0 HE1 MET A 39 -9.096 -13.037 10.019 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.278 -11.982 8.843 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.525 -13.517 9.335 1.00 0.00 H new ATOM 631 N GLU A 40 -3.313 -9.805 8.571 1.00 0.00 N ATOM 632 CA GLU A 40 -2.774 -9.846 7.214 1.00 0.00 C ATOM 633 C GLU A 40 -1.246 -9.798 7.217 1.00 0.00 C ATOM 634 O GLU A 40 -0.588 -10.840 7.229 1.00 0.00 O ATOM 635 CB GLU A 40 -3.341 -8.692 6.384 1.00 0.00 C ATOM 636 CG GLU A 40 -4.861 -8.668 6.331 1.00 0.00 C ATOM 637 CD GLU A 40 -5.462 -10.042 6.105 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.967 -10.769 5.219 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.429 -10.390 6.815 1.00 0.00 O ATOM 0 H GLU A 40 -4.088 -9.153 8.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.076 -10.791 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.986 -7.749 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.952 -8.761 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.246 -8.257 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.182 -8.000 5.532 1.00 0.00 H new ATOM 646 N GLY A 41 -0.683 -8.593 7.202 1.00 0.00 N ATOM 647 CA GLY A 41 0.766 -8.461 7.204 1.00 0.00 C ATOM 648 C GLY A 41 1.247 -7.122 7.728 1.00 0.00 C ATOM 649 O GLY A 41 1.409 -6.936 8.934 1.00 0.00 O ATOM 0 H GLY A 41 -1.197 -7.712 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.195 -9.257 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.138 -8.601 6.189 1.00 0.00 H new ATOM 653 N GLN A 42 1.498 -6.203 6.810 1.00 0.00 N ATOM 654 CA GLN A 42 1.992 -4.877 7.136 1.00 0.00 C ATOM 655 C GLN A 42 1.547 -3.929 6.052 1.00 0.00 C ATOM 656 O GLN A 42 1.191 -4.371 4.967 1.00 0.00 O ATOM 657 CB GLN A 42 3.520 -4.879 7.216 1.00 0.00 C ATOM 658 CG GLN A 42 4.130 -3.487 7.258 1.00 0.00 C ATOM 659 CD GLN A 42 5.642 -3.506 7.163 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.312 -4.264 7.865 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.189 -2.668 6.290 1.00 0.00 N ATOM 0 H GLN A 42 1.363 -6.358 5.811 1.00 0.00 H new ATOM 0 HA GLN A 42 1.598 -4.567 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.828 -5.428 8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.920 -5.416 6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.726 -2.893 6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.835 -2.994 8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.596 -2.057 5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.203 -2.635 6.181 1.00 0.00 H new ATOM 670 N LEU A 43 1.564 -2.636 6.299 1.00 0.00 N ATOM 671 CA LEU A 43 1.157 -1.750 5.248 1.00 0.00 C ATOM 672 C LEU A 43 2.288 -1.728 4.235 1.00 0.00 C ATOM 673 O LEU A 43 3.401 -1.280 4.514 1.00 0.00 O ATOM 674 CB LEU A 43 0.876 -0.352 5.803 1.00 0.00 C ATOM 675 CG LEU A 43 -0.268 0.413 5.132 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.550 -0.399 5.146 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.482 1.748 5.822 1.00 0.00 C ATOM 0 H LEU A 43 1.842 -2.197 7.177 1.00 0.00 H new ATOM 0 HA LEU A 43 0.233 -2.089 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.654 -0.442 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.786 0.242 5.716 1.00 0.00 H new ATOM 0 HG LEU A 43 0.007 0.592 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.345 0.169 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.394 -1.334 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.833 -0.615 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.298 2.282 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.732 1.580 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.430 2.341 5.757 1.00 0.00 H new ATOM 689 N VAL A 44 1.966 -2.279 3.075 1.00 0.00 N ATOM 690 CA VAL A 44 2.883 -2.436 1.954 1.00 0.00 C ATOM 691 C VAL A 44 4.078 -1.494 1.987 1.00 0.00 C ATOM 692 O VAL A 44 5.209 -1.923 2.216 1.00 0.00 O ATOM 693 CB VAL A 44 2.128 -2.268 0.630 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.852 -3.626 0.018 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.831 -1.505 0.854 1.00 0.00 C ATOM 0 H VAL A 44 1.032 -2.640 2.881 1.00 0.00 H new ATOM 0 HA VAL A 44 3.289 -3.444 2.041 1.00 0.00 H new ATOM 0 HB VAL A 44 2.745 -1.694 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.315 -3.499 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.795 -4.139 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.246 -4.218 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.306 -1.393 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.202 -2.054 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.055 -0.520 1.263 1.00 0.00 H new ATOM 705 N SER A 45 3.824 -0.226 1.730 1.00 0.00 N ATOM 706 CA SER A 45 4.885 0.779 1.701 1.00 0.00 C ATOM 707 C SER A 45 5.816 0.513 0.524 1.00 0.00 C ATOM 708 O SER A 45 7.032 0.405 0.684 1.00 0.00 O ATOM 709 CB SER A 45 5.676 0.770 3.008 1.00 0.00 C ATOM 710 OG SER A 45 6.254 2.039 3.264 1.00 0.00 O ATOM 0 H SER A 45 2.892 0.140 1.537 1.00 0.00 H new ATOM 0 HA SER A 45 4.429 1.762 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.019 0.493 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.459 0.014 2.957 1.00 0.00 H new ATOM 0 HG SER A 45 5.706 2.523 3.917 1.00 0.00 H new ATOM 716 N ILE A 46 5.215 0.392 -0.654 1.00 0.00 N ATOM 717 CA ILE A 46 5.948 0.118 -1.889 1.00 0.00 C ATOM 718 C ILE A 46 7.215 0.961 -1.998 1.00 0.00 C ATOM 719 O ILE A 46 7.248 2.115 -1.571 1.00 0.00 O ATOM 720 CB ILE A 46 5.072 0.369 -3.135 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.687 0.879 -2.734 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.946 -0.904 -3.958 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.776 1.147 -3.908 1.00 0.00 C ATOM 0 H ILE A 46 4.207 0.481 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 46 6.226 -0.935 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 46 5.556 1.134 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.215 0.146 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.800 1.796 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.326 -0.711 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.936 -1.229 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.486 -1.685 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.812 1.506 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.226 1.902 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.631 0.227 -4.474 1.00 0.00 H new ATOM 735 N HIS A 47 8.257 0.368 -2.576 1.00 0.00 N ATOM 736 CA HIS A 47 9.536 1.050 -2.748 1.00 0.00 C ATOM 737 C HIS A 47 10.100 0.807 -4.145 1.00 0.00 C ATOM 738 O HIS A 47 11.170 1.311 -4.487 1.00 0.00 O ATOM 739 CB HIS A 47 10.536 0.572 -1.697 1.00 0.00 C ATOM 740 CG HIS A 47 10.624 -0.919 -1.590 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.484 -1.679 -2.355 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.955 -1.792 -0.799 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.338 -2.955 -2.042 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.417 -3.050 -1.101 1.00 0.00 N ATOM 0 H HIS A 47 8.240 -0.587 -2.934 1.00 0.00 H new ATOM 0 HA HIS A 47 9.367 2.120 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.522 0.970 -1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.255 0.982 -0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.200 -1.545 -0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.880 -3.779 -2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.100 -3.917 -0.668 1.00 0.00 H new ATOM 753 N SER A 48 9.375 0.034 -4.950 1.00 0.00 N ATOM 754 CA SER A 48 9.804 -0.269 -6.305 1.00 0.00 C ATOM 755 C SER A 48 8.742 0.161 -7.304 1.00 0.00 C ATOM 756 O SER A 48 7.592 -0.269 -7.217 1.00 0.00 O ATOM 757 CB SER A 48 10.088 -1.765 -6.454 1.00 0.00 C ATOM 758 OG SER A 48 11.168 -1.994 -7.341 1.00 0.00 O ATOM 0 H SER A 48 8.488 -0.392 -4.683 1.00 0.00 H new ATOM 0 HA SER A 48 10.722 0.283 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.318 -2.193 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.197 -2.272 -6.823 1.00 0.00 H new ATOM 0 HG SER A 48 11.330 -2.958 -7.417 1.00 0.00 H new ATOM 764 N PRO A 49 9.109 1.020 -8.270 1.00 0.00 N ATOM 765 CA PRO A 49 8.173 1.502 -9.287 1.00 0.00 C ATOM 766 C PRO A 49 7.361 0.361 -9.887 1.00 0.00 C ATOM 767 O PRO A 49 6.224 0.554 -10.320 1.00 0.00 O ATOM 768 CB PRO A 49 9.092 2.135 -10.330 1.00 0.00 C ATOM 769 CG PRO A 49 10.272 2.598 -9.547 1.00 0.00 C ATOM 770 CD PRO A 49 10.460 1.586 -8.451 1.00 0.00 C ATOM 0 HA PRO A 49 7.433 2.196 -8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.380 1.415 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.603 2.965 -10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.159 2.661 -10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.102 3.593 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.182 0.819 -8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.827 2.049 -7.535 1.00 0.00 H new ATOM 778 N GLU A 50 7.948 -0.832 -9.894 1.00 0.00 N ATOM 779 CA GLU A 50 7.277 -2.010 -10.419 1.00 0.00 C ATOM 780 C GLU A 50 6.190 -2.478 -9.467 1.00 0.00 C ATOM 781 O GLU A 50 5.073 -2.780 -9.882 1.00 0.00 O ATOM 782 CB GLU A 50 8.274 -3.143 -10.647 1.00 0.00 C ATOM 783 CG GLU A 50 7.618 -4.449 -11.055 1.00 0.00 C ATOM 784 CD GLU A 50 8.507 -5.651 -10.807 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.803 -5.938 -9.628 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.906 -6.307 -11.792 1.00 0.00 O ATOM 0 H GLU A 50 8.889 -1.006 -9.541 1.00 0.00 H new ATOM 0 HA GLU A 50 6.824 -1.737 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.982 -2.844 -11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.847 -3.302 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.686 -4.571 -10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.359 -4.406 -12.113 1.00 0.00 H new ATOM 793 N GLU A 51 6.531 -2.545 -8.185 1.00 0.00 N ATOM 794 CA GLU A 51 5.589 -2.985 -7.171 1.00 0.00 C ATOM 795 C GLU A 51 4.421 -2.012 -7.071 1.00 0.00 C ATOM 796 O GLU A 51 3.265 -2.426 -6.992 1.00 0.00 O ATOM 797 CB GLU A 51 6.289 -3.124 -5.819 1.00 0.00 C ATOM 798 CG GLU A 51 7.194 -4.342 -5.726 1.00 0.00 C ATOM 799 CD GLU A 51 8.307 -4.167 -4.711 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.015 -3.718 -3.582 1.00 0.00 O ATOM 801 OE2 GLU A 51 9.469 -4.480 -5.044 1.00 0.00 O ATOM 0 H GLU A 51 7.454 -2.299 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 51 5.199 -3.961 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.880 -2.227 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.536 -3.180 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.597 -5.214 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.629 -4.542 -6.705 1.00 0.00 H new ATOM 808 N GLN A 52 4.728 -0.719 -7.094 1.00 0.00 N ATOM 809 CA GLN A 52 3.694 0.307 -7.026 1.00 0.00 C ATOM 810 C GLN A 52 2.770 0.190 -8.229 1.00 0.00 C ATOM 811 O GLN A 52 1.552 0.270 -8.101 1.00 0.00 O ATOM 812 CB GLN A 52 4.322 1.706 -6.955 1.00 0.00 C ATOM 813 CG GLN A 52 4.688 2.301 -8.312 1.00 0.00 C ATOM 814 CD GLN A 52 3.515 2.929 -9.058 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.387 3.130 -8.382 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 3.626 3.232 -10.246 1.00 0.00 N flip ATOM 0 H GLN A 52 5.680 -0.358 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 52 3.108 0.157 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.627 2.378 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.220 1.657 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.459 3.058 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.122 1.518 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.505 3.064 -10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.839 3.651 -10.741 1.00 0.00 H new ATOM 825 N ASP A 53 3.366 -0.022 -9.393 1.00 0.00 N ATOM 826 CA ASP A 53 2.613 -0.178 -10.623 1.00 0.00 C ATOM 827 C ASP A 53 1.801 -1.460 -10.567 1.00 0.00 C ATOM 828 O ASP A 53 0.697 -1.538 -11.101 1.00 0.00 O ATOM 829 CB ASP A 53 3.557 -0.207 -11.827 1.00 0.00 C ATOM 830 CG ASP A 53 2.827 -0.003 -13.140 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.557 1.165 -13.493 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.527 -1.009 -13.815 1.00 0.00 O ATOM 0 H ASP A 53 4.377 -0.090 -9.509 1.00 0.00 H new ATOM 0 HA ASP A 53 1.938 0.671 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.313 0.569 -11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.082 -1.162 -11.851 1.00 0.00 H new ATOM 837 N PHE A 54 2.379 -2.470 -9.928 1.00 0.00 N ATOM 838 CA PHE A 54 1.751 -3.769 -9.802 1.00 0.00 C ATOM 839 C PHE A 54 0.422 -3.689 -9.058 1.00 0.00 C ATOM 840 O PHE A 54 -0.598 -4.181 -9.540 1.00 0.00 O ATOM 841 CB PHE A 54 2.702 -4.698 -9.051 1.00 0.00 C ATOM 842 CG PHE A 54 3.185 -5.860 -9.862 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.422 -7.008 -9.972 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.407 -5.802 -10.510 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.868 -8.082 -10.715 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.862 -6.872 -11.255 1.00 0.00 C ATOM 847 CZ PHE A 54 4.091 -8.015 -11.358 1.00 0.00 C ATOM 0 H PHE A 54 3.295 -2.406 -9.485 1.00 0.00 H new ATOM 0 HA PHE A 54 1.544 -4.151 -10.802 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.563 -4.122 -8.711 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.198 -5.074 -8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.467 -7.065 -9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.011 -4.910 -10.432 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.263 -8.973 -10.794 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.817 -6.816 -11.756 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.443 -8.854 -11.940 1.00 0.00 H new ATOM 857 N LEU A 55 0.436 -3.057 -7.892 1.00 0.00 N ATOM 858 CA LEU A 55 -0.777 -2.908 -7.097 1.00 0.00 C ATOM 859 C LEU A 55 -1.695 -1.863 -7.705 1.00 0.00 C ATOM 860 O LEU A 55 -2.912 -2.033 -7.731 1.00 0.00 O ATOM 861 CB LEU A 55 -0.447 -2.537 -5.658 1.00 0.00 C ATOM 862 CG LEU A 55 0.752 -1.623 -5.490 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.300 -0.180 -5.509 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.486 -1.950 -4.202 1.00 0.00 C ATOM 0 H LEU A 55 1.269 -2.641 -7.477 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.291 -3.869 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.318 -2.054 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.269 -3.453 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 55 1.444 -1.779 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.164 0.474 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.188 0.036 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.402 -0.008 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.344 -1.287 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.813 -1.814 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.828 -2.984 -4.231 1.00 0.00 H new ATOM 876 N THR A 56 -1.101 -0.777 -8.191 1.00 0.00 N ATOM 877 CA THR A 56 -1.864 0.295 -8.798 1.00 0.00 C ATOM 878 C THR A 56 -2.634 -0.247 -9.994 1.00 0.00 C ATOM 879 O THR A 56 -3.788 0.115 -10.223 1.00 0.00 O ATOM 880 CB THR A 56 -0.932 1.440 -9.214 1.00 0.00 C ATOM 881 OG1 THR A 56 -1.247 2.626 -8.506 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.982 1.762 -10.688 1.00 0.00 C ATOM 0 H THR A 56 -0.093 -0.621 -8.174 1.00 0.00 H new ATOM 0 HA THR A 56 -2.577 0.691 -8.074 1.00 0.00 H new ATOM 0 HB THR A 56 0.071 1.087 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.641 3.344 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.297 2.581 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.690 0.883 -11.263 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.996 2.055 -10.962 1.00 0.00 H new ATOM 890 N LYS A 57 -1.991 -1.144 -10.735 1.00 0.00 N ATOM 891 CA LYS A 57 -2.617 -1.770 -11.885 1.00 0.00 C ATOM 892 C LYS A 57 -3.636 -2.790 -11.403 1.00 0.00 C ATOM 893 O LYS A 57 -4.690 -2.974 -12.013 1.00 0.00 O ATOM 894 CB LYS A 57 -1.571 -2.448 -12.772 1.00 0.00 C ATOM 895 CG LYS A 57 -1.880 -2.356 -14.258 1.00 0.00 C ATOM 896 CD LYS A 57 -0.760 -1.664 -15.018 1.00 0.00 C ATOM 897 CE LYS A 57 -0.951 -0.157 -15.043 1.00 0.00 C ATOM 898 NZ LYS A 57 -0.022 0.506 -15.998 1.00 0.00 N ATOM 0 H LYS A 57 -1.035 -1.451 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.116 -1.004 -12.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.598 -1.995 -12.583 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.493 -3.498 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.031 -3.357 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.812 -1.810 -14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.197 -1.903 -14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.723 -2.044 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.980 0.074 -15.319 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.791 0.246 -14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.185 1.533 -15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.961 0.308 -15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.191 0.141 -16.957 1.00 0.00 H new ATOM 912 N HIS A 58 -3.315 -3.437 -10.284 1.00 0.00 N ATOM 913 CA HIS A 58 -4.201 -4.428 -9.695 1.00 0.00 C ATOM 914 C HIS A 58 -5.476 -3.758 -9.196 1.00 0.00 C ATOM 915 O HIS A 58 -6.548 -4.363 -9.192 1.00 0.00 O ATOM 916 CB HIS A 58 -3.506 -5.147 -8.539 1.00 0.00 C ATOM 917 CG HIS A 58 -4.174 -6.430 -8.156 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.105 -6.522 -7.143 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.047 -7.681 -8.662 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.522 -7.772 -7.043 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.896 -8.494 -7.953 1.00 0.00 N ATOM 0 H HIS A 58 -2.446 -3.290 -9.770 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.457 -5.161 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.472 -5.352 -8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.479 -4.486 -7.673 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.422 -5.746 -6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.399 -7.982 -9.472 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.251 -8.140 -6.337 1.00 0.00 H new ATOM 930 N ALA A 59 -5.348 -2.499 -8.779 1.00 0.00 N ATOM 931 CA ALA A 59 -6.490 -1.741 -8.281 1.00 0.00 C ATOM 932 C ALA A 59 -7.489 -1.459 -9.398 1.00 0.00 C ATOM 933 O ALA A 59 -7.188 -0.731 -10.344 1.00 0.00 O ATOM 934 CB ALA A 59 -6.023 -0.439 -7.648 1.00 0.00 C ATOM 0 H ALA A 59 -4.467 -1.985 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.992 -2.342 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.886 0.117 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.352 -0.658 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.496 0.159 -8.392 1.00 0.00 H new ATOM 940 N SER A 60 -8.677 -2.043 -9.285 1.00 0.00 N ATOM 941 CA SER A 60 -9.721 -1.856 -10.287 1.00 0.00 C ATOM 942 C SER A 60 -10.783 -0.878 -9.794 1.00 0.00 C ATOM 943 O SER A 60 -11.798 -0.665 -10.458 1.00 0.00 O ATOM 944 CB SER A 60 -10.370 -3.199 -10.633 1.00 0.00 C ATOM 945 OG SER A 60 -10.063 -4.180 -9.659 1.00 0.00 O ATOM 0 H SER A 60 -8.941 -2.650 -8.509 1.00 0.00 H new ATOM 0 HA SER A 60 -9.259 -1.440 -11.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.451 -3.077 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.024 -3.532 -11.611 1.00 0.00 H new ATOM 0 HG SER A 60 -10.491 -5.028 -9.902 1.00 0.00 H new ATOM 951 N HIS A 61 -10.542 -0.285 -8.629 1.00 0.00 N ATOM 952 CA HIS A 61 -11.480 0.672 -8.051 1.00 0.00 C ATOM 953 C HIS A 61 -10.996 2.103 -8.263 1.00 0.00 C ATOM 954 O HIS A 61 -11.516 2.824 -9.115 1.00 0.00 O ATOM 955 CB HIS A 61 -11.664 0.397 -6.558 1.00 0.00 C ATOM 956 CG HIS A 61 -12.994 -0.201 -6.219 1.00 0.00 C ATOM 957 ND1 HIS A 61 -13.777 -0.865 -7.140 1.00 0.00 N ATOM 958 CD2 HIS A 61 -13.679 -0.234 -5.052 1.00 0.00 C ATOM 959 CE1 HIS A 61 -14.887 -1.279 -6.553 1.00 0.00 C ATOM 960 NE2 HIS A 61 -14.852 -0.910 -5.287 1.00 0.00 N ATOM 0 H HIS A 61 -9.707 -0.450 -8.067 1.00 0.00 H new ATOM 0 HA HIS A 61 -12.439 0.555 -8.555 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -10.876 -0.276 -6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -11.543 1.330 -6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -13.363 0.192 -4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.687 -1.827 -7.029 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -15.578 -1.096 -4.595 1.00 0.00 H new ATOM 969 N THR A 62 -9.998 2.508 -7.483 1.00 0.00 N ATOM 970 CA THR A 62 -9.446 3.853 -7.586 1.00 0.00 C ATOM 971 C THR A 62 -7.954 3.853 -7.269 1.00 0.00 C ATOM 972 O THR A 62 -7.169 4.536 -7.929 1.00 0.00 O ATOM 973 CB THR A 62 -10.180 4.804 -6.637 1.00 0.00 C ATOM 974 OG1 THR A 62 -11.583 4.657 -6.769 1.00 0.00 O ATOM 975 CG2 THR A 62 -9.847 6.261 -6.873 1.00 0.00 C ATOM 0 H THR A 62 -9.556 1.924 -6.773 1.00 0.00 H new ATOM 0 HA THR A 62 -9.583 4.197 -8.611 1.00 0.00 H new ATOM 0 HB THR A 62 -9.845 4.530 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.036 5.271 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.401 6.880 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.778 6.417 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.122 6.537 -7.891 1.00 0.00 H new ATOM 983 N GLY A 63 -7.568 3.084 -6.255 1.00 0.00 N ATOM 984 CA GLY A 63 -6.172 3.008 -5.869 1.00 0.00 C ATOM 985 C GLY A 63 -5.939 2.044 -4.722 1.00 0.00 C ATOM 986 O GLY A 63 -6.867 1.383 -4.261 1.00 0.00 O ATOM 0 H GLY A 63 -8.199 2.512 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.577 2.697 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.823 4.000 -5.582 1.00 0.00 H new ATOM 990 N SER A 64 -4.695 1.972 -4.260 1.00 0.00 N ATOM 991 CA SER A 64 -4.331 1.086 -3.156 1.00 0.00 C ATOM 992 C SER A 64 -3.706 1.882 -2.017 1.00 0.00 C ATOM 993 O SER A 64 -3.281 3.021 -2.210 1.00 0.00 O ATOM 994 CB SER A 64 -3.359 0.007 -3.637 1.00 0.00 C ATOM 995 OG SER A 64 -2.014 0.430 -3.488 1.00 0.00 O ATOM 0 H SER A 64 -3.918 2.518 -4.633 1.00 0.00 H new ATOM 0 HA SER A 64 -5.237 0.604 -2.789 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.520 -0.911 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.557 -0.225 -4.683 1.00 0.00 H new ATOM 0 HG SER A 64 -1.525 -0.221 -2.943 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.643 1.287 -0.829 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.057 1.972 0.318 1.00 0.00 C ATOM 1003 C TRP A 65 -1.680 1.414 0.621 1.00 0.00 C ATOM 1004 O TRP A 65 -1.487 0.200 0.664 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.960 1.861 1.550 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.067 2.871 1.555 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -4.941 4.222 1.696 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.467 2.612 1.406 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.177 4.820 1.645 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.129 3.851 1.467 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.224 1.453 1.226 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.512 3.962 1.353 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.597 1.564 1.115 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.228 2.811 1.178 1.00 0.00 C ATOM 0 H TRP A 65 -3.985 0.346 -0.637 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.960 3.028 0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.389 0.860 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.357 1.986 2.449 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.006 4.745 1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.356 5.821 1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.745 0.486 1.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.002 4.923 1.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.193 0.674 0.977 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.303 2.865 1.086 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.723 2.311 0.813 1.00 0.00 N ATOM 1026 CA ILE A 66 0.646 1.915 1.092 1.00 0.00 C ATOM 1027 C ILE A 66 1.055 2.262 2.514 1.00 0.00 C ATOM 1028 O ILE A 66 0.376 3.021 3.204 1.00 0.00 O ATOM 1029 CB ILE A 66 1.626 2.571 0.104 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.905 4.022 0.511 1.00 0.00 C ATOM 1031 CG2 ILE A 66 1.061 2.499 -1.307 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.382 4.897 -0.628 1.00 0.00 C ATOM 0 H ILE A 66 -0.872 3.320 0.780 1.00 0.00 H new ATOM 0 HA ILE A 66 0.689 0.832 0.974 1.00 0.00 H new ATOM 0 HB ILE A 66 2.572 2.030 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.996 4.453 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.656 4.030 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.759 2.965 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.912 1.456 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.107 3.024 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.558 5.908 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.309 4.492 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.623 4.922 -1.410 1.00 0.00 H new ATOM 1044 N GLY A 67 2.173 1.692 2.936 1.00 0.00 N ATOM 1045 CA GLY A 67 2.685 1.929 4.268 1.00 0.00 C ATOM 1046 C GLY A 67 3.364 3.273 4.400 1.00 0.00 C ATOM 1047 O GLY A 67 4.498 3.361 4.870 1.00 0.00 O ATOM 0 H GLY A 67 2.741 1.061 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.866 1.868 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.393 1.142 4.526 1.00 0.00 H new ATOM 1051 N LEU A 68 2.669 4.323 3.986 1.00 0.00 N ATOM 1052 CA LEU A 68 3.208 5.668 4.061 1.00 0.00 C ATOM 1053 C LEU A 68 2.257 6.609 4.791 1.00 0.00 C ATOM 1054 O LEU A 68 1.085 6.729 4.436 1.00 0.00 O ATOM 1055 CB LEU A 68 3.494 6.206 2.657 1.00 0.00 C ATOM 1056 CG LEU A 68 4.781 7.011 2.527 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.915 7.581 1.126 1.00 0.00 C ATOM 1058 CD2 LEU A 68 4.811 8.118 3.563 1.00 0.00 C ATOM 0 H LEU A 68 1.729 4.266 3.594 1.00 0.00 H new ATOM 0 HA LEU A 68 4.139 5.620 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.537 5.366 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.658 6.833 2.347 1.00 0.00 H new ATOM 0 HG LEU A 68 5.628 6.348 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.840 8.153 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.933 6.766 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.068 8.234 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.735 8.687 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.959 8.780 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.761 7.683 4.561 1.00 0.00 H new ATOM 1070 N ARG A 69 2.785 7.291 5.798 1.00 0.00 N ATOM 1071 CA ARG A 69 2.011 8.248 6.575 1.00 0.00 C ATOM 1072 C ARG A 69 2.836 9.502 6.853 1.00 0.00 C ATOM 1073 O ARG A 69 3.899 9.431 7.469 1.00 0.00 O ATOM 1074 CB ARG A 69 1.550 7.615 7.890 1.00 0.00 C ATOM 1075 CG ARG A 69 1.106 8.624 8.938 1.00 0.00 C ATOM 1076 CD ARG A 69 1.849 8.429 10.250 1.00 0.00 C ATOM 1077 NE ARG A 69 0.953 8.490 11.401 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.161 9.266 12.459 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.233 10.046 12.512 1.00 0.00 N ATOM 1080 NH2 ARG A 69 0.298 9.265 13.465 1.00 0.00 N ATOM 0 H ARG A 69 3.755 7.197 6.098 1.00 0.00 H new ATOM 0 HA ARG A 69 1.132 8.533 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.725 6.933 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.364 7.016 8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.279 9.635 8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.034 8.526 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.359 7.466 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.618 9.195 10.348 1.00 0.00 H new ATOM 0 HE ARG A 69 0.119 7.903 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.899 10.051 11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.391 10.641 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.528 8.668 13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.460 9.862 14.276 1.00 0.00 H new ATOM 1094 N ASN A 70 2.338 10.650 6.411 1.00 0.00 N ATOM 1095 CA ASN A 70 3.031 11.913 6.627 1.00 0.00 C ATOM 1096 C ASN A 70 2.598 12.530 7.953 1.00 0.00 C ATOM 1097 O ASN A 70 1.463 12.340 8.392 1.00 0.00 O ATOM 1098 CB ASN A 70 2.756 12.872 5.465 1.00 0.00 C ATOM 1099 CG ASN A 70 3.626 14.113 5.499 1.00 0.00 C ATOM 1100 OD1 ASN A 70 3.654 14.840 6.492 1.00 0.00 O ATOM 1101 ND2 ASN A 70 4.336 14.365 4.406 1.00 0.00 N ATOM 0 H ASN A 70 1.458 10.732 5.902 1.00 0.00 H new ATOM 0 HA ASN A 70 4.104 11.726 6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.918 12.348 4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.708 13.170 5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.936 15.189 4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.282 13.734 3.606 1.00 0.00 H new ATOM 1108 N LEU A 71 3.508 13.259 8.593 1.00 0.00 N ATOM 1109 CA LEU A 71 3.219 13.894 9.876 1.00 0.00 C ATOM 1110 C LEU A 71 1.975 14.770 9.787 1.00 0.00 C ATOM 1111 O LEU A 71 1.389 14.923 8.715 1.00 0.00 O ATOM 1112 CB LEU A 71 4.416 14.730 10.335 1.00 0.00 C ATOM 1113 CG LEU A 71 5.720 13.951 10.509 1.00 0.00 C ATOM 1114 CD1 LEU A 71 6.919 14.864 10.298 1.00 0.00 C ATOM 1115 CD2 LEU A 71 5.776 13.306 11.885 1.00 0.00 C ATOM 0 H LEU A 71 4.452 13.425 8.244 1.00 0.00 H new ATOM 0 HA LEU A 71 3.031 13.107 10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.581 15.528 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.165 15.206 11.283 1.00 0.00 H new ATOM 0 HG LEU A 71 5.752 13.162 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.838 14.293 10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.887 15.280 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.892 15.675 11.026 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.711 12.756 11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.721 14.079 12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.936 12.620 12.000 1.00 0.00 H new ATOM 1127 N ASP A 72 1.574 15.341 10.920 1.00 0.00 N ATOM 1128 CA ASP A 72 0.394 16.200 10.972 1.00 0.00 C ATOM 1129 C ASP A 72 0.560 17.411 10.059 1.00 0.00 C ATOM 1130 O ASP A 72 0.902 18.502 10.514 1.00 0.00 O ATOM 1131 CB ASP A 72 0.138 16.660 12.409 1.00 0.00 C ATOM 1132 CG ASP A 72 -0.308 15.525 13.308 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -1.494 15.142 13.238 1.00 0.00 O ATOM 1134 OD2 ASP A 72 0.529 15.021 14.086 1.00 0.00 O ATOM 0 H ASP A 72 2.049 15.224 11.815 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.462 15.622 10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.048 17.104 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.624 17.440 12.408 1.00 0.00 H new ATOM 1139 N LEU A 73 0.314 17.206 8.766 1.00 0.00 N ATOM 1140 CA LEU A 73 0.434 18.273 7.778 1.00 0.00 C ATOM 1141 C LEU A 73 1.777 18.991 7.908 1.00 0.00 C ATOM 1142 O LEU A 73 1.903 20.161 7.542 1.00 0.00 O ATOM 1143 CB LEU A 73 -0.711 19.275 7.941 1.00 0.00 C ATOM 1144 CG LEU A 73 -2.109 18.657 7.996 1.00 0.00 C ATOM 1145 CD1 LEU A 73 -2.571 18.507 9.438 1.00 0.00 C ATOM 1146 CD2 LEU A 73 -3.095 19.501 7.204 1.00 0.00 C ATOM 0 H LEU A 73 0.029 16.306 8.379 1.00 0.00 H new ATOM 0 HA LEU A 73 0.379 17.824 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.547 19.846 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.675 19.982 7.112 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.065 17.665 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.568 18.066 9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.878 17.861 9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.599 19.487 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.085 19.047 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.135 20.505 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.773 19.557 6.164 1.00 0.00 H new ATOM 1158 N LYS A 74 2.776 18.288 8.438 1.00 0.00 N ATOM 1159 CA LYS A 74 4.105 18.866 8.621 1.00 0.00 C ATOM 1160 C LYS A 74 4.865 18.933 7.300 1.00 0.00 C ATOM 1161 O LYS A 74 5.829 19.688 7.167 1.00 0.00 O ATOM 1162 CB LYS A 74 4.903 18.052 9.641 1.00 0.00 C ATOM 1163 CG LYS A 74 4.464 18.280 11.078 1.00 0.00 C ATOM 1164 CD LYS A 74 5.473 17.718 12.066 1.00 0.00 C ATOM 1165 CE LYS A 74 4.839 17.450 13.421 1.00 0.00 C ATOM 1166 NZ LYS A 74 5.346 16.191 14.033 1.00 0.00 N ATOM 0 H LYS A 74 2.691 17.320 8.747 1.00 0.00 H new ATOM 0 HA LYS A 74 3.978 19.882 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.806 16.993 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.959 18.304 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.336 19.348 11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.494 17.811 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.894 16.793 11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.299 18.420 12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.044 18.286 14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.756 17.389 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.486 16.333 15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.655 15.429 13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.251 15.931 13.592 1.00 0.00 H new ATOM 1180 N GLY A 75 4.421 18.150 6.323 1.00 0.00 N ATOM 1181 CA GLY A 75 5.066 18.149 5.023 1.00 0.00 C ATOM 1182 C GLY A 75 6.113 17.060 4.871 1.00 0.00 C ATOM 1183 O GLY A 75 6.687 16.900 3.794 1.00 0.00 O ATOM 0 H GLY A 75 3.626 17.516 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.308 18.025 4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.535 19.119 4.857 1.00 0.00 H new ATOM 1187 N GLU A 76 6.368 16.307 5.940 1.00 0.00 N ATOM 1188 CA GLU A 76 7.357 15.234 5.886 1.00 0.00 C ATOM 1189 C GLU A 76 6.684 13.870 5.990 1.00 0.00 C ATOM 1190 O GLU A 76 5.965 13.593 6.949 1.00 0.00 O ATOM 1191 CB GLU A 76 8.383 15.395 7.009 1.00 0.00 C ATOM 1192 CG GLU A 76 8.547 16.830 7.488 1.00 0.00 C ATOM 1193 CD GLU A 76 9.266 17.702 6.477 1.00 0.00 C ATOM 1194 OE1 GLU A 76 10.396 17.346 6.084 1.00 0.00 O ATOM 1195 OE2 GLU A 76 8.699 18.740 6.081 1.00 0.00 O ATOM 0 H GLU A 76 5.909 16.419 6.844 1.00 0.00 H new ATOM 0 HA GLU A 76 7.869 15.296 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.086 14.772 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.348 15.024 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.565 17.255 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.101 16.835 8.427 1.00 0.00 H new ATOM 1202 N PHE A 77 6.916 13.026 4.990 1.00 0.00 N ATOM 1203 CA PHE A 77 6.327 11.697 4.955 1.00 0.00 C ATOM 1204 C PHE A 77 7.209 10.647 5.630 1.00 0.00 C ATOM 1205 O PHE A 77 8.436 10.675 5.525 1.00 0.00 O ATOM 1206 CB PHE A 77 6.007 11.282 3.511 1.00 0.00 C ATOM 1207 CG PHE A 77 7.150 11.366 2.522 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.419 11.793 2.896 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.937 11.010 1.198 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.445 11.863 1.973 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.962 11.079 0.272 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.216 11.507 0.660 1.00 0.00 C ATOM 0 H PHE A 77 7.511 13.243 4.190 1.00 0.00 H new ATOM 0 HA PHE A 77 5.399 11.749 5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.639 10.256 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.193 11.908 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.606 12.074 3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.959 10.675 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.426 12.196 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.781 10.798 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 77 10.016 11.563 -0.063 1.00 0.00 H new ATOM 1222 N ILE A 78 6.555 9.723 6.326 1.00 0.00 N ATOM 1223 CA ILE A 78 7.230 8.644 7.032 1.00 0.00 C ATOM 1224 C ILE A 78 6.442 7.346 6.892 1.00 0.00 C ATOM 1225 O ILE A 78 5.217 7.357 6.924 1.00 0.00 O ATOM 1226 CB ILE A 78 7.414 8.985 8.523 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.759 9.695 8.720 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.296 7.731 9.388 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.677 9.046 9.739 1.00 0.00 C ATOM 0 H ILE A 78 5.539 9.703 6.416 1.00 0.00 H new ATOM 0 HA ILE A 78 8.216 8.516 6.584 1.00 0.00 H new ATOM 0 HB ILE A 78 6.620 9.661 8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.276 9.737 7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.570 10.724 9.026 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.430 7.998 10.436 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.311 7.285 9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.063 7.014 9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.603 9.617 9.810 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.186 9.028 10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.903 8.026 9.428 1.00 0.00 H new ATOM 1241 N TRP A 79 7.144 6.233 6.729 1.00 0.00 N ATOM 1242 CA TRP A 79 6.485 4.939 6.569 1.00 0.00 C ATOM 1243 C TRP A 79 5.918 4.433 7.892 1.00 0.00 C ATOM 1244 O TRP A 79 6.429 4.753 8.964 1.00 0.00 O ATOM 1245 CB TRP A 79 7.465 3.906 6.007 1.00 0.00 C ATOM 1246 CG TRP A 79 7.915 4.195 4.605 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.318 5.029 3.703 1.00 0.00 C ATOM 1248 CD2 TRP A 79 9.059 3.643 3.944 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.023 5.030 2.524 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.097 4.188 2.646 1.00 0.00 C ATOM 1251 CE3 TRP A 79 10.059 2.742 4.324 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 10.092 3.860 1.729 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 11.046 2.419 3.413 1.00 0.00 C ATOM 1254 CH2 TRP A 79 11.056 2.976 2.129 1.00 0.00 C ATOM 0 H TRP A 79 8.163 6.197 6.704 1.00 0.00 H new ATOM 0 HA TRP A 79 5.660 5.077 5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.339 3.858 6.656 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.995 2.923 6.032 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.423 5.604 3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.785 5.570 1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 79 10.060 2.306 5.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.102 4.288 0.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.823 1.725 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.841 2.702 1.440 1.00 0.00 H new ATOM 1265 N VAL A 80 4.853 3.637 7.798 1.00 0.00 N ATOM 1266 CA VAL A 80 4.200 3.068 8.975 1.00 0.00 C ATOM 1267 C VAL A 80 5.182 2.215 9.774 1.00 0.00 C ATOM 1268 O VAL A 80 5.032 2.041 10.984 1.00 0.00 O ATOM 1269 CB VAL A 80 2.984 2.203 8.571 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.309 1.378 7.341 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.538 1.309 9.721 1.00 0.00 C ATOM 0 H VAL A 80 4.423 3.371 6.912 1.00 0.00 H new ATOM 0 HA VAL A 80 3.855 3.897 9.593 1.00 0.00 H new ATOM 0 HB VAL A 80 2.156 2.871 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.443 0.774 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.563 2.042 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.155 0.724 7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.681 0.713 9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.356 0.647 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.257 1.927 10.574 1.00 0.00 H new ATOM 1281 N ASP A 81 6.190 1.692 9.086 1.00 0.00 N ATOM 1282 CA ASP A 81 7.202 0.860 9.721 1.00 0.00 C ATOM 1283 C ASP A 81 8.190 1.722 10.497 1.00 0.00 C ATOM 1284 O ASP A 81 9.157 1.217 11.069 1.00 0.00 O ATOM 1285 CB ASP A 81 7.943 0.033 8.671 1.00 0.00 C ATOM 1286 CG ASP A 81 8.644 -1.170 9.270 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.980 -1.949 9.987 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.857 -1.334 9.022 1.00 0.00 O ATOM 0 H ASP A 81 6.327 1.831 8.085 1.00 0.00 H new ATOM 0 HA ASP A 81 6.705 0.184 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.236 -0.303 7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.676 0.663 8.167 1.00 0.00 H new ATOM 1293 N GLY A 82 7.932 3.024 10.514 1.00 0.00 N ATOM 1294 CA GLY A 82 8.797 3.943 11.224 1.00 0.00 C ATOM 1295 C GLY A 82 10.082 4.236 10.475 1.00 0.00 C ATOM 1296 O GLY A 82 11.159 4.273 11.071 1.00 0.00 O ATOM 0 H GLY A 82 7.137 3.459 10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.262 4.877 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.038 3.526 12.202 1.00 0.00 H new ATOM 1300 N SER A 83 9.971 4.444 9.167 1.00 0.00 N ATOM 1301 CA SER A 83 11.138 4.735 8.343 1.00 0.00 C ATOM 1302 C SER A 83 10.805 5.757 7.261 1.00 0.00 C ATOM 1303 O SER A 83 9.956 5.512 6.406 1.00 0.00 O ATOM 1304 CB SER A 83 11.669 3.451 7.701 1.00 0.00 C ATOM 1305 OG SER A 83 12.503 2.739 8.599 1.00 0.00 O ATOM 0 H SER A 83 9.088 4.417 8.657 1.00 0.00 H new ATOM 0 HA SER A 83 11.908 5.157 8.989 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.834 2.820 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.228 3.696 6.798 1.00 0.00 H new ATOM 0 HG SER A 83 12.297 3.007 9.519 1.00 0.00 H new ATOM 1311 N HIS A 84 11.482 6.903 7.305 1.00 0.00 N ATOM 1312 CA HIS A 84 11.264 7.963 6.331 1.00 0.00 C ATOM 1313 C HIS A 84 11.271 7.410 4.910 1.00 0.00 C ATOM 1314 O HIS A 84 12.011 6.476 4.599 1.00 0.00 O ATOM 1315 CB HIS A 84 12.340 9.038 6.482 1.00 0.00 C ATOM 1316 CG HIS A 84 13.723 8.548 6.183 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.239 7.382 6.708 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.700 9.074 5.406 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.473 7.212 6.268 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.775 8.224 5.475 1.00 0.00 N ATOM 0 H HIS A 84 12.188 7.119 8.009 1.00 0.00 H new ATOM 0 HA HIS A 84 10.285 8.405 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.107 9.870 5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.313 9.426 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.643 9.991 4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.124 6.386 6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.664 8.353 4.992 1.00 0.00 H new ATOM 1329 N VAL A 85 10.438 7.991 4.055 1.00 0.00 N ATOM 1330 CA VAL A 85 10.338 7.559 2.666 1.00 0.00 C ATOM 1331 C VAL A 85 11.681 7.669 1.952 1.00 0.00 C ATOM 1332 O VAL A 85 12.523 8.493 2.312 1.00 0.00 O ATOM 1333 CB VAL A 85 9.283 8.388 1.918 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.141 7.931 0.477 1.00 0.00 C ATOM 1335 CG2 VAL A 85 7.952 8.302 2.642 1.00 0.00 C ATOM 0 H VAL A 85 9.820 8.765 4.300 1.00 0.00 H new ATOM 0 HA VAL A 85 10.035 6.512 2.669 1.00 0.00 H new ATOM 0 HB VAL A 85 9.612 9.427 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.387 8.538 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.096 8.043 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.838 6.884 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.208 8.892 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.628 7.262 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.063 8.690 3.655 1.00 0.00 H new ATOM 1345 N ASP A 86 11.881 6.822 0.945 1.00 0.00 N ATOM 1346 CA ASP A 86 13.126 6.813 0.189 1.00 0.00 C ATOM 1347 C ASP A 86 12.910 7.227 -1.265 1.00 0.00 C ATOM 1348 O ASP A 86 13.221 8.354 -1.651 1.00 0.00 O ATOM 1349 CB ASP A 86 13.761 5.421 0.239 1.00 0.00 C ATOM 1350 CG ASP A 86 14.110 4.995 1.652 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.379 5.881 2.490 1.00 0.00 O ATOM 1352 OD2 ASP A 86 14.115 3.776 1.921 1.00 0.00 O ATOM 0 H ASP A 86 11.195 6.134 0.635 1.00 0.00 H new ATOM 0 HA ASP A 86 13.795 7.540 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.074 4.696 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.663 5.414 -0.373 1.00 0.00 H new ATOM 1357 N TYR A 87 12.396 6.301 -2.069 1.00 0.00 N ATOM 1358 CA TYR A 87 12.162 6.561 -3.486 1.00 0.00 C ATOM 1359 C TYR A 87 10.940 7.443 -3.715 1.00 0.00 C ATOM 1360 O TYR A 87 10.996 8.402 -4.485 1.00 0.00 O ATOM 1361 CB TYR A 87 11.994 5.243 -4.250 1.00 0.00 C ATOM 1362 CG TYR A 87 13.095 4.241 -3.984 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.004 3.341 -2.930 1.00 0.00 C ATOM 1364 CD2 TYR A 87 14.224 4.194 -4.792 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.008 2.424 -2.686 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.232 3.279 -4.554 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.120 2.397 -3.501 1.00 0.00 C ATOM 1368 OH TYR A 87 16.121 1.484 -3.262 1.00 0.00 O ATOM 0 H TYR A 87 12.134 5.364 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 87 13.035 7.095 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.036 4.797 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.958 5.455 -5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.134 3.358 -2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.315 4.883 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.922 1.732 -1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.104 3.255 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 87 16.832 1.596 -3.927 1.00 0.00 H new ATOM 1378 N SER A 88 9.832 7.101 -3.060 1.00 0.00 N ATOM 1379 CA SER A 88 8.581 7.844 -3.210 1.00 0.00 C ATOM 1380 C SER A 88 8.166 7.885 -4.678 1.00 0.00 C ATOM 1381 O SER A 88 8.941 7.517 -5.561 1.00 0.00 O ATOM 1382 CB SER A 88 8.703 9.265 -2.643 1.00 0.00 C ATOM 1383 OG SER A 88 10.055 9.617 -2.404 1.00 0.00 O ATOM 0 H SER A 88 9.775 6.311 -2.418 1.00 0.00 H new ATOM 0 HA SER A 88 7.810 7.326 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.259 9.975 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.138 9.336 -1.714 1.00 0.00 H new ATOM 0 HG SER A 88 10.550 9.607 -3.250 1.00 0.00 H new ATOM 1389 N ASN A 89 6.939 8.311 -4.942 1.00 0.00 N ATOM 1390 CA ASN A 89 6.447 8.364 -6.311 1.00 0.00 C ATOM 1391 C ASN A 89 5.863 9.734 -6.650 1.00 0.00 C ATOM 1392 O ASN A 89 5.846 10.119 -7.816 1.00 0.00 O ATOM 1393 CB ASN A 89 5.416 7.254 -6.531 1.00 0.00 C ATOM 1394 CG ASN A 89 6.070 5.899 -6.715 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.257 4.875 -6.933 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 7.294 5.774 -6.661 1.00 0.00 N flip ATOM 0 H ASN A 89 6.272 8.622 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 89 7.289 8.205 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.737 7.216 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.813 7.488 -7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.883 6.589 -6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.719 4.855 -6.786 1.00 0.00 H new ATOM 1403 N TRP A 90 5.409 10.463 -5.619 1.00 0.00 N ATOM 1404 CA TRP A 90 4.834 11.811 -5.783 1.00 0.00 C ATOM 1405 C TRP A 90 4.447 12.115 -7.231 1.00 0.00 C ATOM 1406 O TRP A 90 5.302 12.445 -8.053 1.00 0.00 O ATOM 1407 CB TRP A 90 5.830 12.869 -5.302 1.00 0.00 C ATOM 1408 CG TRP A 90 6.061 12.866 -3.823 1.00 0.00 C ATOM 1409 CD1 TRP A 90 5.744 11.875 -2.940 1.00 0.00 C ATOM 1410 CD2 TRP A 90 6.664 13.912 -3.053 1.00 0.00 C ATOM 1411 NE1 TRP A 90 6.119 12.237 -1.674 1.00 0.00 N ATOM 1412 CE2 TRP A 90 6.684 13.484 -1.713 1.00 0.00 C ATOM 1413 CE3 TRP A 90 7.191 15.168 -3.367 1.00 0.00 C ATOM 1414 CZ2 TRP A 90 7.210 14.267 -0.689 1.00 0.00 C ATOM 1415 CZ3 TRP A 90 7.713 15.944 -2.350 1.00 0.00 C ATOM 1416 CH2 TRP A 90 7.720 15.491 -1.024 1.00 0.00 C ATOM 0 H TRP A 90 5.429 10.139 -4.652 1.00 0.00 H new ATOM 0 HA TRP A 90 3.925 11.839 -5.182 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.783 12.712 -5.808 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.470 13.854 -5.600 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.267 10.942 -3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.997 11.669 -0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 90 7.190 15.525 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 7.215 13.920 0.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 8.123 16.916 -2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.136 16.121 -0.252 1.00 0.00 H new ATOM 1427 N ALA A 91 3.155 12.016 -7.532 1.00 0.00 N ATOM 1428 CA ALA A 91 2.655 12.287 -8.877 1.00 0.00 C ATOM 1429 C ALA A 91 3.183 13.618 -9.409 1.00 0.00 C ATOM 1430 O ALA A 91 2.778 14.684 -8.946 1.00 0.00 O ATOM 1431 CB ALA A 91 1.135 12.283 -8.886 1.00 0.00 C ATOM 0 H ALA A 91 2.434 11.750 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 91 3.016 11.496 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.777 12.486 -9.895 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.772 11.308 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.765 13.052 -8.208 1.00 0.00 H new ATOM 1437 N PRO A 92 4.100 13.574 -10.393 1.00 0.00 N ATOM 1438 CA PRO A 92 4.685 14.781 -10.988 1.00 0.00 C ATOM 1439 C PRO A 92 3.662 15.588 -11.780 1.00 0.00 C ATOM 1440 O PRO A 92 2.992 15.059 -12.667 1.00 0.00 O ATOM 1441 CB PRO A 92 5.777 14.241 -11.925 1.00 0.00 C ATOM 1442 CG PRO A 92 5.966 12.812 -11.537 1.00 0.00 C ATOM 1443 CD PRO A 92 4.642 12.351 -11.003 1.00 0.00 C ATOM 0 HA PRO A 92 5.064 15.461 -10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.476 14.327 -12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.704 14.804 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.272 12.212 -12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.747 12.712 -10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.995 11.972 -11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.756 11.550 -10.273 1.00 0.00 H new ATOM 1451 N GLY A 93 3.549 16.873 -11.454 1.00 0.00 N ATOM 1452 CA GLY A 93 2.608 17.735 -12.146 1.00 0.00 C ATOM 1453 C GLY A 93 1.173 17.267 -11.997 1.00 0.00 C ATOM 1454 O GLY A 93 0.329 17.553 -12.847 1.00 0.00 O ATOM 0 H GLY A 93 4.092 17.332 -10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.698 18.750 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.866 17.774 -13.204 1.00 0.00 H new ATOM 1458 N GLU A 94 0.896 16.548 -10.913 1.00 0.00 N ATOM 1459 CA GLU A 94 -0.447 16.040 -10.656 1.00 0.00 C ATOM 1460 C GLU A 94 -0.830 16.237 -9.190 1.00 0.00 C ATOM 1461 O GLU A 94 -0.864 15.280 -8.415 1.00 0.00 O ATOM 1462 CB GLU A 94 -0.533 14.558 -11.026 1.00 0.00 C ATOM 1463 CG GLU A 94 -0.858 14.314 -12.490 1.00 0.00 C ATOM 1464 CD GLU A 94 -1.673 13.055 -12.704 1.00 0.00 C ATOM 1465 OE1 GLU A 94 -1.329 12.015 -12.106 1.00 0.00 O ATOM 1466 OE2 GLU A 94 -2.658 13.107 -13.471 1.00 0.00 O ATOM 0 H GLU A 94 1.583 16.304 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.148 16.601 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.416 14.077 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.295 14.082 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.407 15.169 -12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.070 14.242 -13.057 1.00 0.00 H new ATOM 1473 N PRO A 95 -1.128 17.486 -8.790 1.00 0.00 N ATOM 1474 CA PRO A 95 -1.511 17.802 -7.409 1.00 0.00 C ATOM 1475 C PRO A 95 -2.838 17.159 -7.014 1.00 0.00 C ATOM 1476 O PRO A 95 -2.863 16.166 -6.288 1.00 0.00 O ATOM 1477 CB PRO A 95 -1.632 19.330 -7.407 1.00 0.00 C ATOM 1478 CG PRO A 95 -1.859 19.702 -8.831 1.00 0.00 C ATOM 1479 CD PRO A 95 -1.114 18.684 -9.648 1.00 0.00 C ATOM 0 HA PRO A 95 -0.785 17.422 -6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.458 19.659 -6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.728 19.797 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.922 19.694 -9.072 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.494 20.709 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.603 18.500 -10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.097 19.010 -9.867 1.00 0.00 H new ATOM 1487 N THR A 96 -3.936 17.732 -7.500 1.00 0.00 N ATOM 1488 CA THR A 96 -5.269 17.216 -7.200 1.00 0.00 C ATOM 1489 C THR A 96 -5.489 17.113 -5.693 1.00 0.00 C ATOM 1490 O THR A 96 -6.179 16.210 -5.217 1.00 0.00 O ATOM 1491 CB THR A 96 -5.469 15.849 -7.853 1.00 0.00 C ATOM 1492 OG1 THR A 96 -4.649 15.716 -9.001 1.00 0.00 O ATOM 1493 CG2 THR A 96 -6.899 15.591 -8.279 1.00 0.00 C ATOM 0 H THR A 96 -3.929 18.554 -8.104 1.00 0.00 H new ATOM 0 HA THR A 96 -6.000 17.914 -7.607 1.00 0.00 H new ATOM 0 HB THR A 96 -5.198 15.122 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.790 14.834 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.970 14.603 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.552 15.636 -7.408 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.205 16.347 -9.002 1.00 0.00 H new ATOM 1501 N SER A 97 -4.898 18.041 -4.948 1.00 0.00 N ATOM 1502 CA SER A 97 -5.030 18.054 -3.495 1.00 0.00 C ATOM 1503 C SER A 97 -5.134 19.483 -2.971 1.00 0.00 C ATOM 1504 O SER A 97 -4.180 20.256 -3.051 1.00 0.00 O ATOM 1505 CB SER A 97 -3.838 17.348 -2.849 1.00 0.00 C ATOM 1506 OG SER A 97 -2.612 17.841 -3.359 1.00 0.00 O ATOM 0 H SER A 97 -4.323 18.794 -5.326 1.00 0.00 H new ATOM 0 HA SER A 97 -5.945 17.523 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.869 17.491 -1.769 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.905 16.275 -3.031 1.00 0.00 H new ATOM 0 HG SER A 97 -2.653 18.818 -3.421 1.00 0.00 H new ATOM 1512 N ARG A 98 -6.302 19.826 -2.435 1.00 0.00 N ATOM 1513 CA ARG A 98 -6.533 21.162 -1.897 1.00 0.00 C ATOM 1514 C ARG A 98 -5.789 21.353 -0.579 1.00 0.00 C ATOM 1515 O ARG A 98 -5.404 22.469 -0.229 1.00 0.00 O ATOM 1516 CB ARG A 98 -8.030 21.399 -1.690 1.00 0.00 C ATOM 1517 CG ARG A 98 -8.719 20.297 -0.902 1.00 0.00 C ATOM 1518 CD ARG A 98 -9.747 20.863 0.064 1.00 0.00 C ATOM 1519 NE ARG A 98 -11.104 20.442 -0.273 1.00 0.00 N ATOM 1520 CZ ARG A 98 -11.920 19.831 0.581 1.00 0.00 C ATOM 1521 NH1 ARG A 98 -11.518 19.570 1.818 1.00 0.00 N ATOM 1522 NH2 ARG A 98 -13.141 19.481 0.198 1.00 0.00 N ATOM 0 H ARG A 98 -7.102 19.198 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.154 21.888 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.171 22.347 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.512 21.494 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.206 19.606 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.975 19.724 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.508 20.540 1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.692 21.952 0.055 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.445 20.627 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.580 19.838 2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.147 19.101 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.454 19.681 -0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.766 19.012 0.853 1.00 0.00 H new ATOM 1536 N SER A 99 -5.593 20.258 0.148 1.00 0.00 N ATOM 1537 CA SER A 99 -4.895 20.304 1.428 1.00 0.00 C ATOM 1538 C SER A 99 -3.386 20.194 1.229 1.00 0.00 C ATOM 1539 O SER A 99 -2.873 19.133 0.872 1.00 0.00 O ATOM 1540 CB SER A 99 -5.384 19.177 2.340 1.00 0.00 C ATOM 1541 OG SER A 99 -6.700 19.428 2.798 1.00 0.00 O ATOM 0 H SER A 99 -5.908 19.328 -0.127 1.00 0.00 H new ATOM 0 HA SER A 99 -5.113 21.263 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.358 18.230 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.712 19.077 3.192 1.00 0.00 H new ATOM 0 HG SER A 99 -6.990 18.693 3.377 1.00 0.00 H new ATOM 1547 N GLN A 100 -2.681 21.297 1.463 1.00 0.00 N ATOM 1548 CA GLN A 100 -1.231 21.325 1.312 1.00 0.00 C ATOM 1549 C GLN A 100 -0.567 20.318 2.244 1.00 0.00 C ATOM 1550 O GLN A 100 0.377 19.628 1.859 1.00 0.00 O ATOM 1551 CB GLN A 100 -0.695 22.730 1.593 1.00 0.00 C ATOM 1552 CG GLN A 100 -0.717 23.645 0.379 1.00 0.00 C ATOM 1553 CD GLN A 100 0.226 23.184 -0.715 1.00 0.00 C ATOM 1554 OE1 GLN A 100 1.444 23.316 -0.598 1.00 0.00 O ATOM 1555 NE2 GLN A 100 -0.335 22.638 -1.787 1.00 0.00 N ATOM 0 H GLN A 100 -3.091 22.183 1.758 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.993 21.052 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.286 23.183 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.328 22.652 1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.731 23.693 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.446 24.655 0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.350 22.548 -1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.248 22.308 -2.556 1.00 0.00 H new ATOM 1564 N GLY A 101 -1.070 20.239 3.473 1.00 0.00 N ATOM 1565 CA GLY A 101 -0.515 19.313 4.442 1.00 0.00 C ATOM 1566 C GLY A 101 -0.831 17.870 4.108 1.00 0.00 C ATOM 1567 O GLY A 101 -1.970 17.538 3.777 1.00 0.00 O ATOM 0 H GLY A 101 -1.851 20.799 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.566 19.444 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.907 19.548 5.431 1.00 0.00 H new ATOM 1571 N GLU A 102 0.178 17.009 4.191 1.00 0.00 N ATOM 1572 CA GLU A 102 0.002 15.593 3.891 1.00 0.00 C ATOM 1573 C GLU A 102 0.009 14.760 5.169 1.00 0.00 C ATOM 1574 O GLU A 102 0.663 15.116 6.149 1.00 0.00 O ATOM 1575 CB GLU A 102 1.107 15.108 2.950 1.00 0.00 C ATOM 1576 CG GLU A 102 1.568 16.161 1.955 1.00 0.00 C ATOM 1577 CD GLU A 102 2.835 16.865 2.398 1.00 0.00 C ATOM 1578 OE1 GLU A 102 3.914 16.237 2.343 1.00 0.00 O ATOM 1579 OE2 GLU A 102 2.750 18.045 2.800 1.00 0.00 O ATOM 0 H GLU A 102 1.126 17.267 4.464 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.964 15.470 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.961 14.783 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.749 14.236 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.737 15.691 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.776 16.898 1.818 1.00 0.00 H new ATOM 1586 N ASP A 103 -0.719 13.649 5.148 1.00 0.00 N ATOM 1587 CA ASP A 103 -0.797 12.761 6.302 1.00 0.00 C ATOM 1588 C ASP A 103 -0.682 11.302 5.868 1.00 0.00 C ATOM 1589 O ASP A 103 -0.280 10.441 6.650 1.00 0.00 O ATOM 1590 CB ASP A 103 -2.106 12.984 7.060 1.00 0.00 C ATOM 1591 CG ASP A 103 -1.978 14.045 8.135 1.00 0.00 C ATOM 1592 OD1 ASP A 103 -1.552 15.172 7.808 1.00 0.00 O ATOM 1593 OD2 ASP A 103 -2.304 13.747 9.304 1.00 0.00 O ATOM 0 H ASP A 103 -1.265 13.342 4.343 1.00 0.00 H new ATOM 0 HA ASP A 103 0.036 12.991 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.885 13.276 6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.423 12.046 7.515 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.029 11.038 4.611 1.00 0.00 N ATOM 1599 CA CYS A 104 -0.959 9.693 4.050 1.00 0.00 C ATOM 1600 C CYS A 104 -0.804 9.765 2.536 1.00 0.00 C ATOM 1601 O CYS A 104 -1.132 10.776 1.914 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.210 8.880 4.404 1.00 0.00 C ATOM 1603 SG CYS A 104 -2.675 8.929 6.167 1.00 0.00 S ATOM 0 H CYS A 104 -1.364 11.745 3.957 1.00 0.00 H new ATOM 0 HA CYS A 104 -0.091 9.193 4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.047 9.249 3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.047 7.842 4.114 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.296 8.694 1.946 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.097 8.648 0.507 1.00 0.00 C ATOM 1610 C VAL A 105 -1.045 7.661 -0.162 1.00 0.00 C ATOM 1611 O VAL A 105 -1.235 6.539 0.309 1.00 0.00 O ATOM 1612 CB VAL A 105 1.355 8.289 0.149 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.498 8.039 -1.343 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.288 9.400 0.593 1.00 0.00 C ATOM 0 H VAL A 105 -0.015 7.847 2.440 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.315 9.648 0.133 1.00 0.00 H new ATOM 0 HB VAL A 105 1.624 7.371 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.533 7.787 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.850 7.214 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.213 8.937 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.314 9.138 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.014 10.328 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.207 9.534 1.672 1.00 0.00 H new ATOM 1624 N MET A 106 -1.636 8.101 -1.264 1.00 0.00 N ATOM 1625 CA MET A 106 -2.573 7.290 -2.027 1.00 0.00 C ATOM 1626 C MET A 106 -2.122 7.185 -3.478 1.00 0.00 C ATOM 1627 O MET A 106 -1.212 7.890 -3.901 1.00 0.00 O ATOM 1628 CB MET A 106 -3.977 7.894 -1.958 1.00 0.00 C ATOM 1629 CG MET A 106 -4.025 9.366 -2.336 1.00 0.00 C ATOM 1630 SD MET A 106 -5.684 9.917 -2.777 1.00 0.00 S ATOM 1631 CE MET A 106 -5.427 10.442 -4.469 1.00 0.00 C ATOM 0 H MET A 106 -1.479 9.030 -1.654 1.00 0.00 H new ATOM 0 HA MET A 106 -2.598 6.290 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.637 7.335 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.366 7.774 -0.947 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.658 9.963 -1.501 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.352 9.544 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.366 10.811 -4.882 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.682 11.238 -4.494 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.076 9.598 -5.063 1.00 0.00 H new ATOM 1641 N MET A 107 -2.758 6.308 -4.241 1.00 0.00 N ATOM 1642 CA MET A 107 -2.406 6.133 -5.645 1.00 0.00 C ATOM 1643 C MET A 107 -3.608 6.411 -6.532 1.00 0.00 C ATOM 1644 O MET A 107 -4.702 5.895 -6.301 1.00 0.00 O ATOM 1645 CB MET A 107 -1.898 4.719 -5.925 1.00 0.00 C ATOM 1646 CG MET A 107 -1.885 3.807 -4.715 1.00 0.00 C ATOM 1647 SD MET A 107 -0.217 3.312 -4.244 1.00 0.00 S ATOM 1648 CE MET A 107 0.509 2.984 -5.849 1.00 0.00 C ATOM 0 H MET A 107 -3.517 5.709 -3.915 1.00 0.00 H new ATOM 0 HA MET A 107 -1.609 6.842 -5.868 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.521 4.269 -6.697 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.887 4.782 -6.328 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.361 4.315 -3.876 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.478 2.918 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.452 2.453 -5.720 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.174 2.373 -6.439 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.691 3.926 -6.365 1.00 0.00 H new ATOM 1658 N ARG A 108 -3.395 7.240 -7.544 1.00 0.00 N ATOM 1659 CA ARG A 108 -4.457 7.608 -8.473 1.00 0.00 C ATOM 1660 C ARG A 108 -4.532 6.630 -9.640 1.00 0.00 C ATOM 1661 O ARG A 108 -3.620 5.830 -9.853 1.00 0.00 O ATOM 1662 CB ARG A 108 -4.234 9.027 -8.998 1.00 0.00 C ATOM 1663 CG ARG A 108 -5.112 10.070 -8.326 1.00 0.00 C ATOM 1664 CD ARG A 108 -5.422 11.224 -9.265 1.00 0.00 C ATOM 1665 NE ARG A 108 -6.467 10.883 -10.227 1.00 0.00 N ATOM 1666 CZ ARG A 108 -6.772 11.632 -11.282 1.00 0.00 C ATOM 1667 NH1 ARG A 108 -6.115 12.762 -11.510 1.00 0.00 N ATOM 1668 NH2 ARG A 108 -7.736 11.252 -12.109 1.00 0.00 N ATOM 0 H ARG A 108 -2.493 7.673 -7.744 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.403 7.569 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.188 9.298 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.423 9.042 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.042 9.607 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.612 10.449 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.735 12.091 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.516 11.509 -9.800 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.993 10.021 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.374 13.058 -10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.351 13.335 -12.320 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.244 10.385 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.970 11.827 -12.918 1.00 0.00 H new ATOM 1682 N GLY A 109 -5.624 6.704 -10.395 1.00 0.00 N ATOM 1683 CA GLY A 109 -5.801 5.824 -11.535 1.00 0.00 C ATOM 1684 C GLY A 109 -4.721 6.013 -12.581 1.00 0.00 C ATOM 1685 O GLY A 109 -4.461 5.116 -13.383 1.00 0.00 O ATOM 0 H GLY A 109 -6.390 7.359 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.797 4.788 -11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.776 6.008 -11.986 1.00 0.00 H new ATOM 1689 N SER A 110 -4.091 7.185 -12.570 1.00 0.00 N ATOM 1690 CA SER A 110 -3.030 7.492 -13.521 1.00 0.00 C ATOM 1691 C SER A 110 -1.937 6.431 -13.469 1.00 0.00 C ATOM 1692 O SER A 110 -1.370 6.058 -14.496 1.00 0.00 O ATOM 1693 CB SER A 110 -2.436 8.872 -13.227 1.00 0.00 C ATOM 1694 OG SER A 110 -3.432 9.878 -13.279 1.00 0.00 O ATOM 0 H SER A 110 -4.298 7.937 -11.912 1.00 0.00 H new ATOM 0 HA SER A 110 -3.460 7.498 -14.523 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.970 8.868 -12.242 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.651 9.095 -13.950 1.00 0.00 H new ATOM 0 HG SER A 110 -3.055 10.728 -12.968 1.00 0.00 H new ATOM 1700 N GLY A 111 -1.655 5.943 -12.265 1.00 0.00 N ATOM 1701 CA GLY A 111 -0.640 4.920 -12.098 1.00 0.00 C ATOM 1702 C GLY A 111 0.539 5.387 -11.267 1.00 0.00 C ATOM 1703 O GLY A 111 1.678 4.998 -11.526 1.00 0.00 O ATOM 0 H GLY A 111 -2.112 6.238 -11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.087 4.046 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.284 4.605 -13.079 1.00 0.00 H new ATOM 1707 N ARG A 112 0.273 6.222 -10.265 1.00 0.00 N ATOM 1708 CA ARG A 112 1.331 6.729 -9.403 1.00 0.00 C ATOM 1709 C ARG A 112 0.814 7.017 -7.997 1.00 0.00 C ATOM 1710 O ARG A 112 -0.255 6.552 -7.606 1.00 0.00 O ATOM 1711 CB ARG A 112 1.939 7.996 -10.002 1.00 0.00 C ATOM 1712 CG ARG A 112 0.914 9.061 -10.349 1.00 0.00 C ATOM 1713 CD ARG A 112 0.764 9.217 -11.851 1.00 0.00 C ATOM 1714 NE ARG A 112 1.116 10.560 -12.301 1.00 0.00 N ATOM 1715 CZ ARG A 112 1.861 10.807 -13.376 1.00 0.00 C ATOM 1716 NH1 ARG A 112 2.329 9.805 -14.107 1.00 0.00 N ATOM 1717 NH2 ARG A 112 2.137 12.057 -13.719 1.00 0.00 N ATOM 0 H ARG A 112 -0.661 6.559 -10.033 1.00 0.00 H new ATOM 0 HA ARG A 112 2.099 5.959 -9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.657 8.412 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.494 7.731 -10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.049 8.798 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.214 10.013 -9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.398 8.488 -12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.265 8.997 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 112 0.772 11.354 -11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.118 8.842 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.900 9.997 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.778 12.831 -13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.708 12.246 -14.543 1.00 0.00 H new ATOM 1731 N TRP A 113 1.595 7.782 -7.243 1.00 0.00 N ATOM 1732 CA TRP A 113 1.256 8.143 -5.872 1.00 0.00 C ATOM 1733 C TRP A 113 0.870 9.598 -5.746 1.00 0.00 C ATOM 1734 O TRP A 113 1.223 10.433 -6.575 1.00 0.00 O ATOM 1735 CB TRP A 113 2.437 7.960 -4.926 1.00 0.00 C ATOM 1736 CG TRP A 113 2.890 6.563 -4.710 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.572 5.460 -5.436 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.790 6.138 -3.690 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.223 4.365 -4.928 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.977 4.756 -3.849 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.453 6.803 -2.655 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.808 4.019 -3.007 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.277 6.072 -1.821 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.450 4.692 -2.001 1.00 0.00 C ATOM 0 H TRP A 113 2.482 8.170 -7.565 1.00 0.00 H new ATOM 0 HA TRP A 113 0.426 7.486 -5.611 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.277 8.538 -5.311 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.172 8.388 -3.959 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.906 5.447 -6.286 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.158 3.415 -5.292 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.324 7.865 -2.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.941 2.956 -3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.797 6.572 -1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.102 4.149 -1.333 1.00 0.00 H new ATOM 1755 N ASN A 114 0.218 9.888 -4.641 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.148 11.239 -4.298 1.00 0.00 C ATOM 1757 C ASN A 114 0.043 11.404 -2.798 1.00 0.00 C ATOM 1758 O ASN A 114 -0.571 10.696 -2.001 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.600 11.527 -4.688 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.766 11.736 -6.180 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.251 10.856 -6.891 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.362 12.905 -6.663 1.00 0.00 N ATOM 0 H ASN A 114 -0.072 9.190 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 114 0.479 11.945 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.231 10.698 -4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -1.947 12.415 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.448 13.102 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.966 13.606 -6.037 1.00 0.00 H new ATOM 1769 N ASP A 115 0.905 12.332 -2.421 1.00 0.00 N ATOM 1770 CA ASP A 115 1.192 12.582 -1.018 1.00 0.00 C ATOM 1771 C ASP A 115 0.369 13.761 -0.508 1.00 0.00 C ATOM 1772 O ASP A 115 0.715 14.919 -0.743 1.00 0.00 O ATOM 1773 CB ASP A 115 2.688 12.850 -0.836 1.00 0.00 C ATOM 1774 CG ASP A 115 3.152 12.611 0.589 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.289 12.386 1.464 1.00 0.00 O ATOM 1776 OD2 ASP A 115 4.376 12.652 0.829 1.00 0.00 O ATOM 0 H ASP A 115 1.421 12.927 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 115 0.919 11.701 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.254 12.208 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.906 13.880 -1.118 1.00 0.00 H new ATOM 1781 N ALA A 116 -0.728 13.457 0.181 1.00 0.00 N ATOM 1782 CA ALA A 116 -1.605 14.487 0.712 1.00 0.00 C ATOM 1783 C ALA A 116 -2.424 13.961 1.883 1.00 0.00 C ATOM 1784 O ALA A 116 -2.573 12.753 2.052 1.00 0.00 O ATOM 1785 CB ALA A 116 -2.521 15.005 -0.384 1.00 0.00 C ATOM 0 H ALA A 116 -1.028 12.503 0.383 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.987 15.307 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.175 15.777 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.921 15.426 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.125 14.185 -0.771 1.00 0.00 H new ATOM 1791 N PHE A 117 -2.960 14.879 2.683 1.00 0.00 N ATOM 1792 CA PHE A 117 -3.777 14.513 3.838 1.00 0.00 C ATOM 1793 C PHE A 117 -4.719 13.363 3.488 1.00 0.00 C ATOM 1794 O PHE A 117 -5.337 13.362 2.424 1.00 0.00 O ATOM 1795 CB PHE A 117 -4.587 15.719 4.316 1.00 0.00 C ATOM 1796 CG PHE A 117 -5.073 15.595 5.732 1.00 0.00 C ATOM 1797 CD1 PHE A 117 -6.256 14.933 6.018 1.00 0.00 C ATOM 1798 CD2 PHE A 117 -4.345 16.141 6.776 1.00 0.00 C ATOM 1799 CE1 PHE A 117 -6.705 14.818 7.320 1.00 0.00 C ATOM 1800 CE2 PHE A 117 -4.788 16.029 8.080 1.00 0.00 C ATOM 1801 CZ PHE A 117 -5.971 15.367 8.353 1.00 0.00 C ATOM 0 H PHE A 117 -2.843 15.884 2.553 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.112 14.189 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.973 16.616 4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.445 15.854 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.834 14.502 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.421 16.660 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.629 14.299 7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.211 16.458 8.886 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.320 15.280 9.371 1.00 0.00 H new ATOM 1811 N CYS A 118 -4.821 12.383 4.382 1.00 0.00 N ATOM 1812 CA CYS A 118 -5.687 11.231 4.150 1.00 0.00 C ATOM 1813 C CYS A 118 -7.147 11.575 4.430 1.00 0.00 C ATOM 1814 O CYS A 118 -7.750 11.055 5.371 1.00 0.00 O ATOM 1815 CB CYS A 118 -5.254 10.043 5.014 1.00 0.00 C ATOM 1816 SG CYS A 118 -4.011 10.452 6.282 1.00 0.00 S ATOM 0 H CYS A 118 -4.318 12.363 5.269 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.593 10.954 3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -6.133 9.626 5.505 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.852 9.265 4.366 1.00 0.00 H new ATOM 1821 N ASP A 119 -7.713 12.450 3.604 1.00 0.00 N ATOM 1822 CA ASP A 119 -9.103 12.860 3.755 1.00 0.00 C ATOM 1823 C ASP A 119 -9.951 12.325 2.606 1.00 0.00 C ATOM 1824 O ASP A 119 -11.161 12.548 2.557 1.00 0.00 O ATOM 1825 CB ASP A 119 -9.205 14.385 3.815 1.00 0.00 C ATOM 1826 CG ASP A 119 -10.249 14.855 4.810 1.00 0.00 C ATOM 1827 OD1 ASP A 119 -11.452 14.656 4.546 1.00 0.00 O ATOM 1828 OD2 ASP A 119 -9.861 15.421 5.853 1.00 0.00 O ATOM 0 H ASP A 119 -7.228 12.889 2.822 1.00 0.00 H new ATOM 0 HA ASP A 119 -9.481 12.444 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -8.235 14.801 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -9.451 14.769 2.825 1.00 0.00 H new ATOM 1833 N ARG A 120 -9.306 11.618 1.682 1.00 0.00 N ATOM 1834 CA ARG A 120 -9.996 11.050 0.531 1.00 0.00 C ATOM 1835 C ARG A 120 -10.444 9.620 0.819 1.00 0.00 C ATOM 1836 O ARG A 120 -10.523 9.207 1.975 1.00 0.00 O ATOM 1837 CB ARG A 120 -9.085 11.075 -0.699 1.00 0.00 C ATOM 1838 CG ARG A 120 -8.278 12.356 -0.834 1.00 0.00 C ATOM 1839 CD ARG A 120 -8.913 13.313 -1.830 1.00 0.00 C ATOM 1840 NE ARG A 120 -8.457 14.687 -1.636 1.00 0.00 N ATOM 1841 CZ ARG A 120 -8.626 15.654 -2.533 1.00 0.00 C ATOM 1842 NH1 ARG A 120 -9.237 15.399 -3.682 1.00 0.00 N ATOM 1843 NH2 ARG A 120 -8.183 16.878 -2.281 1.00 0.00 N ATOM 0 H ARG A 120 -8.305 11.425 1.709 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.880 11.656 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.401 10.228 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.693 10.943 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.199 12.841 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.264 12.116 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.675 12.992 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.998 13.273 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.982 14.918 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.579 14.459 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.365 16.143 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.712 17.078 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.313 17.619 -2.970 1.00 0.00 H new ATOM 1857 N LYS A 121 -10.737 8.868 -0.240 1.00 0.00 N ATOM 1858 CA LYS A 121 -11.177 7.485 -0.095 1.00 0.00 C ATOM 1859 C LYS A 121 -10.851 6.673 -1.345 1.00 0.00 C ATOM 1860 O LYS A 121 -11.376 6.941 -2.427 1.00 0.00 O ATOM 1861 CB LYS A 121 -12.682 7.436 0.179 1.00 0.00 C ATOM 1862 CG LYS A 121 -13.206 6.034 0.448 1.00 0.00 C ATOM 1863 CD LYS A 121 -14.607 6.067 1.036 1.00 0.00 C ATOM 1864 CE LYS A 121 -14.573 6.271 2.543 1.00 0.00 C ATOM 1865 NZ LYS A 121 -15.882 6.746 3.069 1.00 0.00 N ATOM 0 H LYS A 121 -10.677 9.193 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 121 -10.643 7.047 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.908 8.070 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -13.212 7.855 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -13.213 5.463 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.534 5.519 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -15.179 6.870 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.122 5.134 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -14.305 5.334 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.797 6.994 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -15.817 6.873 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.127 7.653 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -16.618 6.044 2.852 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.983 5.676 -1.188 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.590 4.821 -2.302 1.00 0.00 C ATOM 1881 C LEU A 122 -10.586 3.677 -2.477 1.00 0.00 C ATOM 1882 O LEU A 122 -11.795 3.879 -2.353 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.179 4.275 -2.079 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.054 5.271 -2.357 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.838 6.182 -1.159 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.769 4.541 -2.708 1.00 0.00 C ATOM 0 H LEU A 122 -9.539 5.442 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.591 5.418 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.096 3.933 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.038 3.402 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.344 5.886 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.033 6.884 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.755 6.734 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.571 5.582 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.980 5.267 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.476 3.900 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.928 3.931 -3.597 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.085 2.477 -2.765 1.00 0.00 N ATOM 1899 CA GLY A 123 -10.970 1.343 -2.948 1.00 0.00 C ATOM 1900 C GLY A 123 -10.242 0.013 -3.009 1.00 0.00 C ATOM 1901 O GLY A 123 -10.762 -0.952 -3.570 1.00 0.00 O ATOM 0 H GLY A 123 -9.092 2.273 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.690 1.318 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.538 1.480 -3.868 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.044 -0.053 -2.431 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.279 -1.296 -2.437 1.00 0.00 C ATOM 1907 C ALA A 124 -7.390 -1.425 -1.208 1.00 0.00 C ATOM 1908 O ALA A 124 -6.640 -0.511 -0.867 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.444 -1.406 -3.701 1.00 0.00 C ATOM 0 H ALA A 124 -8.588 0.728 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.998 -2.115 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.882 -2.340 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.099 -1.391 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.751 -0.566 -3.754 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.475 -2.581 -0.557 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.678 -2.858 0.630 1.00 0.00 C ATOM 1917 C TRP A 125 -5.438 -3.661 0.260 1.00 0.00 C ATOM 1918 O TRP A 125 -5.524 -4.860 -0.007 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.500 -3.634 1.664 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.775 -2.953 2.064 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.053 -1.619 1.991 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.943 -3.578 2.607 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.324 -1.376 2.452 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.891 -2.561 2.836 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -10.282 -4.897 2.920 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -12.152 -2.825 3.363 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -11.535 -5.157 3.444 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -12.457 -4.125 3.660 1.00 0.00 C ATOM 0 H TRP A 125 -8.092 -3.344 -0.835 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.373 -1.905 1.063 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.737 -4.618 1.260 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.890 -3.793 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.373 -0.864 1.624 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.772 -0.461 2.500 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -9.578 -5.699 2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.865 -2.031 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -11.807 -6.173 3.691 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -13.428 -4.360 4.069 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.284 -3.003 0.249 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.041 -3.668 -0.087 1.00 0.00 C ATOM 1941 C VAL A 126 -2.121 -3.730 1.135 1.00 0.00 C ATOM 1942 O VAL A 126 -1.901 -2.730 1.818 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.336 -2.964 -1.264 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.866 -3.286 -1.284 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.964 -3.370 -2.580 1.00 0.00 C ATOM 0 H VAL A 126 -4.189 -2.012 0.469 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.274 -4.686 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.456 -1.889 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.393 -2.777 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.408 -2.952 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.731 -4.362 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.453 -2.863 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.874 -4.449 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.018 -3.091 -2.582 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.618 -4.926 1.407 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.747 -5.181 2.551 1.00 0.00 C ATOM 1957 C CYS A 127 0.415 -6.072 2.143 1.00 0.00 C ATOM 1958 O CYS A 127 0.403 -6.651 1.065 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.528 -5.841 3.690 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.256 -5.288 3.829 1.00 0.00 S ATOM 0 H CYS A 127 -1.802 -5.753 0.839 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.358 -4.224 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.515 -6.921 3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.017 -5.638 4.631 1.00 0.00 H new ATOM 1965 N ASP A 128 1.425 -6.171 2.996 1.00 0.00 N ATOM 1966 CA ASP A 128 2.576 -7.000 2.700 1.00 0.00 C ATOM 1967 C ASP A 128 2.828 -7.982 3.836 1.00 0.00 C ATOM 1968 O ASP A 128 2.644 -7.658 5.008 1.00 0.00 O ATOM 1969 CB ASP A 128 3.804 -6.124 2.475 1.00 0.00 C ATOM 1970 CG ASP A 128 5.105 -6.859 2.737 1.00 0.00 C ATOM 1971 OD1 ASP A 128 5.439 -7.771 1.952 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.789 -6.524 3.726 1.00 0.00 O ATOM 0 H ASP A 128 1.467 -5.688 3.894 1.00 0.00 H new ATOM 0 HA ASP A 128 2.376 -7.568 1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 128 3.800 -5.756 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.747 -5.252 3.126 1.00 0.00 H new ATOM 1977 N ARG A 129 3.254 -9.180 3.474 1.00 0.00 N ATOM 1978 CA ARG A 129 3.539 -10.226 4.443 1.00 0.00 C ATOM 1979 C ARG A 129 4.500 -11.241 3.846 1.00 0.00 C ATOM 1980 O ARG A 129 4.530 -11.431 2.634 1.00 0.00 O ATOM 1981 CB ARG A 129 2.246 -10.919 4.879 1.00 0.00 C ATOM 1982 CG ARG A 129 2.357 -11.625 6.221 1.00 0.00 C ATOM 1983 CD ARG A 129 2.141 -13.124 6.081 1.00 0.00 C ATOM 1984 NE ARG A 129 1.880 -13.761 7.369 1.00 0.00 N ATOM 1985 CZ ARG A 129 2.833 -14.083 8.240 1.00 0.00 C ATOM 1986 NH1 ARG A 129 4.104 -13.828 7.961 1.00 0.00 N ATOM 1987 NH2 ARG A 129 2.514 -14.661 9.389 1.00 0.00 N ATOM 0 H ARG A 129 3.412 -9.455 2.505 1.00 0.00 H new ATOM 0 HA ARG A 129 4.001 -9.772 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.447 -10.179 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.958 -11.645 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.340 -11.437 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.621 -11.213 6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.303 -13.308 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.021 -13.576 5.624 1.00 0.00 H new ATOM 0 HE ARG A 129 0.913 -13.971 7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.353 -13.384 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.833 -14.076 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.537 -14.859 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.245 -14.908 10.056 1.00 0.00 H new ATOM 2001 N LEU A 130 5.276 -11.897 4.693 1.00 0.00 N ATOM 2002 CA LEU A 130 6.228 -12.893 4.222 1.00 0.00 C ATOM 2003 C LEU A 130 5.504 -14.098 3.629 1.00 0.00 C ATOM 2004 O LEU A 130 4.436 -14.488 4.101 1.00 0.00 O ATOM 2005 CB LEU A 130 7.155 -13.322 5.360 1.00 0.00 C ATOM 2006 CG LEU A 130 8.394 -12.438 5.565 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.637 -13.136 5.038 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.219 -11.079 4.890 1.00 0.00 C ATOM 0 H LEU A 130 5.267 -11.760 5.704 1.00 0.00 H new ATOM 0 HA LEU A 130 6.834 -12.445 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.582 -13.337 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.485 -14.344 5.172 1.00 0.00 H new ATOM 0 HG LEU A 130 8.514 -12.270 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.506 -12.496 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.780 -14.076 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.518 -13.337 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.112 -10.475 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.066 -11.221 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.354 -10.570 5.316 1.00 0.00 H new ATOM 2020 N ALA A 131 6.089 -14.673 2.580 1.00 0.00 N ATOM 2021 CA ALA A 131 5.501 -15.824 1.903 1.00 0.00 C ATOM 2022 C ALA A 131 5.347 -17.016 2.843 1.00 0.00 C ATOM 2023 O ALA A 131 5.464 -16.884 4.061 1.00 0.00 O ATOM 2024 CB ALA A 131 6.344 -16.209 0.696 1.00 0.00 C ATOM 0 H ALA A 131 6.973 -14.358 2.180 1.00 0.00 H new ATOM 0 HA ALA A 131 4.504 -15.538 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.896 -17.069 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.389 -15.370 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.352 -16.464 1.023 1.00 0.00 H new ATOM 2030 N THR A 132 5.080 -18.183 2.262 1.00 0.00 N ATOM 2031 CA THR A 132 4.903 -19.401 3.039 1.00 0.00 C ATOM 2032 C THR A 132 6.211 -20.180 3.138 1.00 0.00 C ATOM 2033 O THR A 132 6.216 -21.411 3.119 1.00 0.00 O ATOM 2034 CB THR A 132 3.821 -20.277 2.408 1.00 0.00 C ATOM 2035 OG1 THR A 132 2.949 -19.499 1.606 1.00 0.00 O ATOM 2036 CG2 THR A 132 2.975 -21.011 3.426 1.00 0.00 C ATOM 0 H THR A 132 4.982 -18.308 1.254 1.00 0.00 H new ATOM 0 HA THR A 132 4.594 -19.119 4.045 1.00 0.00 H new ATOM 0 HB THR A 132 4.359 -21.012 1.809 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.201 -19.592 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.227 -21.614 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 132 3.611 -21.659 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 132 2.476 -20.289 4.073 1.00 0.00 H new ATOM 2044 N CYS A 133 7.319 -19.453 3.248 1.00 0.00 N ATOM 2045 CA CYS A 133 8.635 -20.074 3.353 1.00 0.00 C ATOM 2046 C CYS A 133 9.501 -19.343 4.373 1.00 0.00 C ATOM 2047 O CYS A 133 10.528 -18.758 4.027 1.00 0.00 O ATOM 2048 CB CYS A 133 9.329 -20.084 1.987 1.00 0.00 C ATOM 2049 SG CYS A 133 8.508 -19.055 0.728 1.00 0.00 S ATOM 0 H CYS A 133 7.332 -18.433 3.267 1.00 0.00 H new ATOM 0 HA CYS A 133 8.499 -21.102 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 133 10.355 -19.738 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 133 9.380 -21.111 1.625 1.00 0.00 H new ATOM 2054 N THR A 134 9.078 -19.378 5.633 1.00 0.00 N ATOM 2055 CA THR A 134 9.814 -18.719 6.706 1.00 0.00 C ATOM 2056 C THR A 134 10.500 -19.746 7.607 1.00 0.00 C ATOM 2057 O THR A 134 9.940 -20.804 7.892 1.00 0.00 O ATOM 2058 CB THR A 134 8.873 -17.845 7.536 1.00 0.00 C ATOM 2059 OG1 THR A 134 9.528 -17.361 8.694 1.00 0.00 O ATOM 2060 CG2 THR A 134 7.623 -18.569 7.985 1.00 0.00 C ATOM 0 H THR A 134 8.229 -19.856 5.936 1.00 0.00 H new ATOM 0 HA THR A 134 10.580 -18.089 6.254 1.00 0.00 H new ATOM 0 HB THR A 134 8.583 -17.028 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 134 8.910 -16.803 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 134 7.000 -17.891 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 134 7.067 -18.911 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 134 7.900 -19.427 8.598 1.00 0.00 H new ATOM 2068 N PRO A 135 11.727 -19.444 8.068 1.00 0.00 N ATOM 2069 CA PRO A 135 12.488 -20.347 8.940 1.00 0.00 C ATOM 2070 C PRO A 135 11.719 -20.713 10.207 1.00 0.00 C ATOM 2071 O PRO A 135 11.355 -19.840 10.994 1.00 0.00 O ATOM 2072 CB PRO A 135 13.741 -19.539 9.292 1.00 0.00 C ATOM 2073 CG PRO A 135 13.871 -18.537 8.199 1.00 0.00 C ATOM 2074 CD PRO A 135 12.470 -18.204 7.775 1.00 0.00 C ATOM 0 HA PRO A 135 12.703 -21.297 8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.638 -19.054 10.263 1.00 0.00 H new ATOM 0 HB3 PRO A 135 14.621 -20.179 9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.396 -17.647 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 135 14.445 -18.941 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.072 -17.355 8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 135 12.420 -17.945 6.717 1.00 0.00 H new ATOM 2082 N PRO A 136 11.459 -22.017 10.421 1.00 0.00 N ATOM 2083 CA PRO A 136 10.727 -22.493 11.601 1.00 0.00 C ATOM 2084 C PRO A 136 11.361 -22.019 12.905 1.00 0.00 C ATOM 2085 O PRO A 136 12.391 -22.542 13.332 1.00 0.00 O ATOM 2086 CB PRO A 136 10.815 -24.018 11.488 1.00 0.00 C ATOM 2087 CG PRO A 136 11.039 -24.282 10.039 1.00 0.00 C ATOM 2088 CD PRO A 136 11.855 -23.125 9.533 1.00 0.00 C ATOM 0 HA PRO A 136 9.705 -22.114 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 136 11.632 -24.413 12.092 1.00 0.00 H new ATOM 0 HB3 PRO A 136 9.900 -24.494 11.840 1.00 0.00 H new ATOM 0 HG2 PRO A 136 11.564 -25.226 9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 136 10.092 -24.356 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 136 12.924 -23.329 9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 136 11.634 -22.903 8.489 1.00 0.00 H new ATOM 2096 N ALA A 137 10.738 -21.027 13.532 1.00 0.00 N ATOM 2097 CA ALA A 137 11.241 -20.481 14.788 1.00 0.00 C ATOM 2098 C ALA A 137 10.803 -21.336 15.972 1.00 0.00 C ATOM 2099 O ALA A 137 11.630 -21.950 16.647 1.00 0.00 O ATOM 2100 CB ALA A 137 10.766 -19.047 14.966 1.00 0.00 C ATOM 0 H ALA A 137 9.884 -20.585 13.192 1.00 0.00 H new ATOM 0 HA ALA A 137 12.330 -20.490 14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 137 11.148 -18.651 15.907 1.00 0.00 H new ATOM 0 HB2 ALA A 137 11.133 -18.437 14.140 1.00 0.00 H new ATOM 0 HB3 ALA A 137 9.676 -19.024 14.978 1.00 0.00 H new ATOM 2106 N SER A 138 9.497 -21.372 16.219 1.00 0.00 N ATOM 2107 CA SER A 138 8.949 -22.153 17.322 1.00 0.00 C ATOM 2108 C SER A 138 8.136 -23.334 16.803 1.00 0.00 C ATOM 2109 O SER A 138 7.600 -23.292 15.695 1.00 0.00 O ATOM 2110 CB SER A 138 8.074 -21.269 18.214 1.00 0.00 C ATOM 2111 OG SER A 138 8.661 -21.092 19.491 1.00 0.00 O ATOM 0 H SER A 138 8.799 -20.870 15.670 1.00 0.00 H new ATOM 0 HA SER A 138 9.782 -22.540 17.909 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.929 -20.298 17.739 1.00 0.00 H new ATOM 0 HB3 SER A 138 7.088 -21.721 18.323 1.00 0.00 H new ATOM 0 HG SER A 138 8.083 -20.522 20.041 1.00 0.00 H new ATOM 2117 N GLU A 139 8.047 -24.387 17.610 1.00 0.00 N ATOM 2118 CA GLU A 139 7.300 -25.580 17.232 1.00 0.00 C ATOM 2119 C GLU A 139 5.800 -25.301 17.218 1.00 0.00 C ATOM 2120 O GLU A 139 5.230 -24.862 18.218 1.00 0.00 O ATOM 2121 CB GLU A 139 7.609 -26.729 18.195 1.00 0.00 C ATOM 2122 CG GLU A 139 7.551 -26.328 19.661 1.00 0.00 C ATOM 2123 CD GLU A 139 7.927 -27.464 20.591 1.00 0.00 C ATOM 2124 OE1 GLU A 139 7.323 -28.552 20.474 1.00 0.00 O ATOM 2125 OE2 GLU A 139 8.826 -27.268 21.435 1.00 0.00 O ATOM 0 H GLU A 139 8.484 -24.437 18.530 1.00 0.00 H new ATOM 0 HA GLU A 139 7.607 -25.867 16.226 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.901 -27.539 18.020 1.00 0.00 H new ATOM 0 HB3 GLU A 139 8.602 -27.121 17.973 1.00 0.00 H new ATOM 0 HG2 GLU A 139 8.223 -25.487 19.831 1.00 0.00 H new ATOM 0 HG3 GLU A 139 6.544 -25.985 19.901 1.00 0.00 H new ATOM 2132 N GLY A 140 5.167 -25.557 16.078 1.00 0.00 N ATOM 2133 CA GLY A 140 3.739 -25.327 15.954 1.00 0.00 C ATOM 2134 C GLY A 140 2.949 -26.618 15.874 1.00 0.00 C ATOM 2135 O GLY A 140 1.783 -26.667 16.267 1.00 0.00 O ATOM 0 H GLY A 140 5.617 -25.920 15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.392 -24.745 16.808 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.546 -24.731 15.062 1.00 0.00 H new ATOM 2139 N SER A 141 3.587 -27.669 15.363 1.00 0.00 N ATOM 2140 CA SER A 141 2.938 -28.968 15.231 1.00 0.00 C ATOM 2141 C SER A 141 3.972 -30.086 15.151 1.00 0.00 C ATOM 2142 O SER A 141 3.817 -31.134 15.780 1.00 0.00 O ATOM 2143 CB SER A 141 2.045 -28.992 13.989 1.00 0.00 C ATOM 2144 OG SER A 141 2.686 -28.372 12.888 1.00 0.00 O ATOM 0 H SER A 141 4.552 -27.645 15.034 1.00 0.00 H new ATOM 0 HA SER A 141 2.322 -29.130 16.115 1.00 0.00 H new ATOM 0 HB2 SER A 141 1.796 -30.023 13.736 1.00 0.00 H new ATOM 0 HB3 SER A 141 1.106 -28.481 14.202 1.00 0.00 H new ATOM 0 HG SER A 141 2.096 -28.402 12.106 1.00 0.00 H new ATOM 2150 N ALA A 142 5.026 -29.855 14.373 1.00 0.00 N ATOM 2151 CA ALA A 142 6.089 -30.840 14.206 1.00 0.00 C ATOM 2152 C ALA A 142 5.538 -32.166 13.694 1.00 0.00 C ATOM 2153 O ALA A 142 4.406 -32.236 13.215 1.00 0.00 O ATOM 2154 CB ALA A 142 6.832 -31.043 15.518 1.00 0.00 C ATOM 0 H ALA A 142 5.166 -28.992 13.847 1.00 0.00 H new ATOM 0 HA ALA A 142 6.788 -30.459 13.461 1.00 0.00 H new ATOM 0 HB1 ALA A 142 7.622 -31.781 15.378 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.270 -30.098 15.838 1.00 0.00 H new ATOM 0 HB3 ALA A 142 6.136 -31.396 16.279 1.00 0.00 H new ATOM 2160 N GLU A 143 6.345 -33.218 13.796 1.00 0.00 N ATOM 2161 CA GLU A 143 5.938 -34.542 13.342 1.00 0.00 C ATOM 2162 C GLU A 143 6.528 -35.628 14.236 1.00 0.00 C ATOM 2163 O GLU A 143 7.273 -35.281 15.176 1.00 0.00 O ATOM 2164 CB GLU A 143 6.374 -34.765 11.893 1.00 0.00 C ATOM 2165 CG GLU A 143 7.858 -34.533 11.661 1.00 0.00 C ATOM 2166 CD GLU A 143 8.580 -35.786 11.203 1.00 0.00 C ATOM 2167 OE1 GLU A 143 8.148 -36.383 10.195 1.00 0.00 O ATOM 2168 OE2 GLU A 143 9.576 -36.168 11.852 1.00 0.00 O ATOM 2169 OXT GLU A 143 6.240 -36.819 13.988 1.00 0.00 O ATOM 0 H GLU A 143 7.285 -33.178 14.190 1.00 0.00 H new ATOM 0 HA GLU A 143 4.851 -34.600 13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 143 6.124 -35.785 11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 143 5.805 -34.099 11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 143 7.987 -33.750 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 143 8.314 -34.172 12.583 1.00 0.00 H new TER 2176 GLU A 143