USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 990 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 107 GLN : amide:sc= 0.21 K(o=0.38,f=-3.2!) USER MOD Set 1.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 131 GLN :FLIP amide:sc= 0.17 F(o=-3.2!,f=0.38) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.282 K(o=1.2,f=0.36) USER MOD Set 2.2: A 92 SER OG : rot -90:sc= 0.377 USER MOD Set 2.3: A 114 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.482) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.457 USER MOD Single : A 19 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.027) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.062 (180deg=-0.374) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 152:sc= -2.23 (180deg=-3.18) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.12) USER MOD Single : A 36 MET CE :methyl -162:sc= -0.123 (180deg=-0.531) USER MOD Single : A 38 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.051) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 42 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.43) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 51 TYR OH : rot -140:sc= -0.329 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0189 (180deg=-0.211) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.377 K(o=-0.38,f=-7.7!) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0016 (180deg=-0.114) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00221 K(o=-0.0022,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= -0.956 (180deg=-2.95!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 101 SER OG : rot -119:sc= 0.522 USER MOD Single : A 103 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.478) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= -0.0065 (180deg=-0.0065) USER MOD Single : A 112 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.8!) USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= -0.0709 (180deg=-0.403) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 120 ASN : amide:sc= 1.1 K(o=1.1,f=-7.2!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -172:sc= -0.0923 (180deg=-0.163) USER MOD Single : A 126 LYS NZ :NH3+ -138:sc= 0.11 (180deg=-0.36) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -21.065 0.684 3.447 1.00 0.00 N ATOM 2 CA GLY A 15 -21.522 0.352 2.075 1.00 0.00 C ATOM 3 C GLY A 15 -21.075 -1.029 1.655 1.00 0.00 C ATOM 4 O GLY A 15 -21.191 -1.982 2.425 1.00 0.00 O ATOM 0 HA2 GLY A 15 -22.609 0.412 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.132 1.090 1.373 1.00 0.00 H new ATOM 10 N SER A 16 -20.561 -1.147 0.436 1.00 0.00 N ATOM 11 CA SER A 16 -20.082 -2.425 -0.066 1.00 0.00 C ATOM 12 C SER A 16 -18.816 -2.850 0.677 1.00 0.00 C ATOM 13 O SER A 16 -18.713 -3.978 1.165 1.00 0.00 O ATOM 14 CB SER A 16 -19.815 -2.329 -1.569 1.00 0.00 C ATOM 15 OG SER A 16 -20.970 -1.881 -2.262 1.00 0.00 O ATOM 0 H SER A 16 -20.466 -0.372 -0.221 1.00 0.00 H new ATOM 0 HA SER A 16 -20.849 -3.180 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.988 -1.643 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.512 -3.304 -1.951 1.00 0.00 H new ATOM 0 HG SER A 16 -20.775 -1.826 -3.221 1.00 0.00 H new ATOM 21 N SER A 17 -17.860 -1.938 0.770 1.00 0.00 N ATOM 22 CA SER A 17 -16.636 -2.199 1.504 1.00 0.00 C ATOM 23 C SER A 17 -16.734 -1.647 2.919 1.00 0.00 C ATOM 24 O SER A 17 -16.910 -0.443 3.117 1.00 0.00 O ATOM 25 CB SER A 17 -15.440 -1.585 0.779 1.00 0.00 C ATOM 26 OG SER A 17 -15.289 -2.147 -0.516 1.00 0.00 O ATOM 0 H SER A 17 -17.910 -1.012 0.346 1.00 0.00 H new ATOM 0 HA SER A 17 -16.493 -3.278 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.573 -0.506 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.533 -1.751 1.360 1.00 0.00 H new ATOM 0 HG SER A 17 -14.518 -1.738 -0.962 1.00 0.00 H new ATOM 32 N GLY A 18 -16.634 -2.543 3.894 1.00 0.00 N ATOM 33 CA GLY A 18 -16.674 -2.148 5.287 1.00 0.00 C ATOM 34 C GLY A 18 -15.502 -1.268 5.678 1.00 0.00 C ATOM 35 O GLY A 18 -14.576 -1.068 4.886 1.00 0.00 O ATOM 0 H GLY A 18 -16.525 -3.545 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.605 -1.616 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.679 -3.040 5.914 1.00 0.00 H new ATOM 39 N ASN A 19 -15.547 -0.754 6.901 1.00 0.00 N ATOM 40 CA ASN A 19 -14.528 0.163 7.407 1.00 0.00 C ATOM 41 C ASN A 19 -13.131 -0.437 7.271 1.00 0.00 C ATOM 42 O ASN A 19 -12.946 -1.649 7.391 1.00 0.00 O ATOM 43 CB ASN A 19 -14.795 0.508 8.879 1.00 0.00 C ATOM 44 CG ASN A 19 -16.168 1.111 9.110 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.359 2.317 8.979 1.00 0.00 O ATOM 46 ND2 ASN A 19 -17.129 0.279 9.482 1.00 0.00 N ATOM 0 H ASN A 19 -16.289 -0.959 7.570 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.578 1.073 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.695 -0.395 9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.035 1.208 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.066 0.634 9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.932 -0.717 9.580 1.00 0.00 H new ATOM 53 N PRO A 20 -12.125 0.424 7.038 1.00 0.00 N ATOM 54 CA PRO A 20 -10.741 -0.002 6.819 1.00 0.00 C ATOM 55 C PRO A 20 -10.129 -0.584 8.082 1.00 0.00 C ATOM 56 O PRO A 20 -9.154 -1.329 8.037 1.00 0.00 O ATOM 57 CB PRO A 20 -10.000 1.280 6.424 1.00 0.00 C ATOM 58 CG PRO A 20 -11.038 2.340 6.269 1.00 0.00 C ATOM 59 CD PRO A 20 -12.262 1.883 7.000 1.00 0.00 C ATOM 0 HA PRO A 20 -10.679 -0.783 6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.273 1.558 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.449 1.138 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.682 3.287 6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.261 2.507 5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.310 2.306 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.173 2.186 6.483 1.00 0.00 H new ATOM 67 N GLU A 21 -10.719 -0.221 9.209 1.00 0.00 N ATOM 68 CA GLU A 21 -10.281 -0.702 10.513 1.00 0.00 C ATOM 69 C GLU A 21 -10.662 -2.164 10.690 1.00 0.00 C ATOM 70 O GLU A 21 -10.084 -2.877 11.505 1.00 0.00 O ATOM 71 CB GLU A 21 -10.924 0.148 11.603 1.00 0.00 C ATOM 72 CG GLU A 21 -10.936 1.621 11.246 1.00 0.00 C ATOM 73 CD GLU A 21 -11.646 2.479 12.268 1.00 0.00 C ATOM 74 OE1 GLU A 21 -11.013 2.868 13.270 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.837 2.787 12.064 1.00 0.00 O ATOM 0 H GLU A 21 -11.515 0.415 9.248 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.196 -0.620 10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.946 -0.192 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.383 0.007 12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.909 1.970 11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.418 1.749 10.277 1.00 0.00 H new ATOM 82 N ASP A 22 -11.637 -2.600 9.906 1.00 0.00 N ATOM 83 CA ASP A 22 -12.081 -3.993 9.935 1.00 0.00 C ATOM 84 C ASP A 22 -11.167 -4.876 9.091 1.00 0.00 C ATOM 85 O ASP A 22 -11.376 -6.085 8.982 1.00 0.00 O ATOM 86 CB ASP A 22 -13.527 -4.121 9.446 1.00 0.00 C ATOM 87 CG ASP A 22 -14.535 -3.587 10.443 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.901 -4.331 11.381 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.980 -2.430 10.293 1.00 0.00 O ATOM 0 H ASP A 22 -12.138 -2.012 9.240 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.033 -4.330 10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.636 -3.584 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.745 -5.169 9.242 1.00 0.00 H new ATOM 94 N PHE A 23 -10.158 -4.267 8.489 1.00 0.00 N ATOM 95 CA PHE A 23 -9.163 -5.006 7.731 1.00 0.00 C ATOM 96 C PHE A 23 -8.016 -5.410 8.646 1.00 0.00 C ATOM 97 O PHE A 23 -7.735 -4.743 9.641 1.00 0.00 O ATOM 98 CB PHE A 23 -8.628 -4.160 6.572 1.00 0.00 C ATOM 99 CG PHE A 23 -9.585 -4.018 5.422 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.701 -3.205 5.522 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.358 -4.694 4.233 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.573 -3.066 4.458 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.227 -4.561 3.168 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.336 -3.746 3.280 1.00 0.00 C ATOM 0 H PHE A 23 -10.007 -3.259 8.511 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.633 -5.900 7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.377 -3.168 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.703 -4.606 6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.893 -2.673 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.492 -5.332 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.438 -2.426 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.039 -5.094 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.016 -3.641 2.448 1.00 0.00 H new ATOM 114 N LYS A 24 -7.354 -6.501 8.302 1.00 0.00 N ATOM 115 CA LYS A 24 -6.228 -6.989 9.078 1.00 0.00 C ATOM 116 C LYS A 24 -4.993 -6.188 8.708 1.00 0.00 C ATOM 117 O LYS A 24 -4.065 -6.032 9.502 1.00 0.00 O ATOM 118 CB LYS A 24 -5.996 -8.477 8.808 1.00 0.00 C ATOM 119 CG LYS A 24 -5.092 -9.145 9.827 1.00 0.00 C ATOM 120 CD LYS A 24 -5.760 -9.224 11.188 1.00 0.00 C ATOM 121 CE LYS A 24 -4.849 -9.855 12.226 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.484 -9.885 13.568 1.00 0.00 N ATOM 0 H LYS A 24 -7.579 -7.069 7.485 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.439 -6.868 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.958 -8.990 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.560 -8.594 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.835 -10.148 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.159 -8.588 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.043 -8.223 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.679 -9.805 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.597 -10.870 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.915 -9.296 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.833 -10.323 14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.702 -8.914 13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.363 -10.439 13.524 1.00 0.00 H new ATOM 136 N VAL A 25 -5.009 -5.662 7.492 1.00 0.00 N ATOM 137 CA VAL A 25 -3.926 -4.835 6.993 1.00 0.00 C ATOM 138 C VAL A 25 -3.886 -3.497 7.734 1.00 0.00 C ATOM 139 O VAL A 25 -2.901 -2.780 7.670 1.00 0.00 O ATOM 140 CB VAL A 25 -4.061 -4.589 5.469 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.778 -5.744 4.790 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.755 -3.271 5.165 1.00 0.00 C ATOM 0 H VAL A 25 -5.771 -5.797 6.828 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.994 -5.370 7.172 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.051 -4.527 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.859 -5.544 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.215 -6.664 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.776 -5.853 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.828 -3.139 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.755 -3.278 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.180 -2.450 5.593 1.00 0.00 H new ATOM 152 N PHE A 26 -4.965 -3.173 8.441 1.00 0.00 N ATOM 153 CA PHE A 26 -5.029 -1.939 9.220 1.00 0.00 C ATOM 154 C PHE A 26 -3.840 -1.842 10.168 1.00 0.00 C ATOM 155 O PHE A 26 -3.037 -0.912 10.091 1.00 0.00 O ATOM 156 CB PHE A 26 -6.339 -1.885 10.015 1.00 0.00 C ATOM 157 CG PHE A 26 -6.382 -0.808 11.066 1.00 0.00 C ATOM 158 CD1 PHE A 26 -5.944 -1.064 12.362 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.861 0.456 10.764 1.00 0.00 C ATOM 160 CE1 PHE A 26 -5.985 -0.078 13.328 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.904 1.444 11.728 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.467 1.177 13.011 1.00 0.00 C ATOM 0 H PHE A 26 -5.807 -3.747 8.491 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.995 -1.094 8.532 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.165 -1.732 9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.500 -2.851 10.494 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.568 -2.044 12.615 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.205 0.671 9.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.641 -0.288 14.330 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.279 2.426 11.479 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.502 1.949 13.766 1.00 0.00 H new ATOM 172 N LYS A 27 -3.733 -2.815 11.056 1.00 0.00 N ATOM 173 CA LYS A 27 -2.690 -2.835 12.052 1.00 0.00 C ATOM 174 C LYS A 27 -1.345 -3.177 11.415 1.00 0.00 C ATOM 175 O LYS A 27 -0.304 -2.668 11.828 1.00 0.00 O ATOM 176 CB LYS A 27 -3.072 -3.854 13.109 1.00 0.00 C ATOM 177 CG LYS A 27 -2.926 -3.377 14.541 1.00 0.00 C ATOM 178 CD LYS A 27 -1.505 -3.529 15.061 1.00 0.00 C ATOM 179 CE LYS A 27 -0.700 -2.253 14.907 1.00 0.00 C ATOM 180 NZ LYS A 27 -1.214 -1.154 15.768 1.00 0.00 N ATOM 0 H LYS A 27 -4.369 -3.611 11.102 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.585 -1.852 12.510 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.107 -4.154 12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.457 -4.744 12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.223 -2.330 14.604 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.606 -3.941 15.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.533 -3.814 16.113 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.008 -4.337 14.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.342 -2.451 15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.722 -1.936 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.456 -0.463 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.010 -0.684 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.536 -1.546 16.676 1.00 0.00 H new ATOM 194 N TYR A 28 -1.379 -4.015 10.389 1.00 0.00 N ATOM 195 CA TYR A 28 -0.166 -4.430 9.699 1.00 0.00 C ATOM 196 C TYR A 28 0.478 -3.271 8.936 1.00 0.00 C ATOM 197 O TYR A 28 1.676 -3.032 9.056 1.00 0.00 O ATOM 198 CB TYR A 28 -0.463 -5.597 8.761 1.00 0.00 C ATOM 199 CG TYR A 28 -0.384 -6.946 9.438 1.00 0.00 C ATOM 200 CD1 TYR A 28 0.844 -7.498 9.760 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.527 -7.666 9.755 1.00 0.00 C ATOM 202 CE1 TYR A 28 0.941 -8.724 10.371 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.441 -8.901 10.372 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.203 -9.425 10.678 1.00 0.00 C ATOM 205 OH TYR A 28 -0.107 -10.655 11.290 1.00 0.00 O ATOM 0 H TYR A 28 -2.236 -4.422 10.015 1.00 0.00 H new ATOM 0 HA TYR A 28 0.550 -4.758 10.453 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.459 -5.469 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.242 -5.574 7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.746 -6.952 9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.497 -7.256 9.517 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.910 -9.136 10.609 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.338 -9.452 10.613 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.005 -11.017 11.439 1.00 0.00 H new ATOM 215 N MET A 29 -0.314 -2.547 8.156 1.00 0.00 N ATOM 216 CA MET A 29 0.172 -1.367 7.452 1.00 0.00 C ATOM 217 C MET A 29 0.617 -0.295 8.439 1.00 0.00 C ATOM 218 O MET A 29 1.519 0.490 8.154 1.00 0.00 O ATOM 219 CB MET A 29 -0.911 -0.809 6.521 1.00 0.00 C ATOM 220 CG MET A 29 -1.010 -1.528 5.182 1.00 0.00 C ATOM 221 SD MET A 29 -1.071 -3.320 5.325 1.00 0.00 S ATOM 222 CE MET A 29 -1.200 -3.775 3.600 1.00 0.00 C ATOM 0 H MET A 29 -1.299 -2.757 7.994 1.00 0.00 H new ATOM 0 HA MET A 29 1.031 -1.663 6.850 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.875 -0.869 7.026 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.711 0.247 6.340 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.903 -1.184 4.660 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.154 -1.251 4.567 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.765 -4.763 3.451 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.249 -3.793 3.306 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.665 -3.047 2.991 1.00 0.00 H new ATOM 232 N LYS A 30 -0.003 -0.276 9.610 1.00 0.00 N ATOM 233 CA LYS A 30 0.361 0.686 10.637 1.00 0.00 C ATOM 234 C LYS A 30 1.713 0.362 11.262 1.00 0.00 C ATOM 235 O LYS A 30 2.464 1.268 11.624 1.00 0.00 O ATOM 236 CB LYS A 30 -0.724 0.785 11.710 1.00 0.00 C ATOM 237 CG LYS A 30 -1.754 1.865 11.415 1.00 0.00 C ATOM 238 CD LYS A 30 -1.111 3.244 11.407 1.00 0.00 C ATOM 239 CE LYS A 30 -2.060 4.316 10.904 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.389 5.639 10.812 1.00 0.00 N ATOM 0 H LYS A 30 -0.756 -0.912 9.871 1.00 0.00 H new ATOM 0 HA LYS A 30 0.449 1.658 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.229 -0.177 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.257 0.989 12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.222 1.672 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.545 1.833 12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.783 3.496 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.221 3.224 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.444 4.033 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.917 4.388 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.021 6.317 10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.165 5.982 11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.510 5.545 10.264 1.00 0.00 H new ATOM 254 N ILE A 31 2.037 -0.917 11.391 1.00 0.00 N ATOM 255 CA ILE A 31 3.359 -1.287 11.875 1.00 0.00 C ATOM 256 C ILE A 31 4.356 -1.242 10.728 1.00 0.00 C ATOM 257 O ILE A 31 5.548 -1.115 10.950 1.00 0.00 O ATOM 258 CB ILE A 31 3.394 -2.671 12.560 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.147 -3.798 11.554 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.381 -2.717 13.690 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.934 -5.152 12.197 1.00 0.00 C ATOM 0 H ILE A 31 1.419 -1.699 11.173 1.00 0.00 H new ATOM 0 HA ILE A 31 3.632 -0.560 12.639 1.00 0.00 H new ATOM 0 HB ILE A 31 4.390 -2.822 12.977 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.273 -3.550 10.952 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.996 -3.858 10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.413 -3.696 14.167 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.620 -1.948 14.424 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.382 -2.540 13.291 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.765 -5.900 11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.817 -5.422 12.777 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.067 -5.110 12.856 1.00 0.00 H new ATOM 273 N LEU A 32 3.851 -1.340 9.501 1.00 0.00 N ATOM 274 CA LEU A 32 4.664 -1.116 8.311 1.00 0.00 C ATOM 275 C LEU A 32 5.199 0.311 8.355 1.00 0.00 C ATOM 276 O LEU A 32 6.402 0.541 8.220 1.00 0.00 O ATOM 277 CB LEU A 32 3.812 -1.354 7.050 1.00 0.00 C ATOM 278 CG LEU A 32 4.566 -1.457 5.714 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.653 -2.031 4.643 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.087 -0.098 5.265 1.00 0.00 C ATOM 0 H LEU A 32 2.878 -1.574 9.305 1.00 0.00 H new ATOM 0 HA LEU A 32 5.504 -1.810 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.245 -2.274 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.089 -0.542 6.970 1.00 0.00 H new ATOM 0 HG LEU A 32 5.419 -2.119 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.196 -2.100 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.320 -3.024 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.787 -1.381 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.615 -0.206 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.250 0.589 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.769 0.297 6.018 1.00 0.00 H new ATOM 292 N GLU A 33 4.279 1.252 8.570 1.00 0.00 N ATOM 293 CA GLU A 33 4.595 2.666 8.754 1.00 0.00 C ATOM 294 C GLU A 33 5.791 2.847 9.682 1.00 0.00 C ATOM 295 O GLU A 33 6.733 3.586 9.385 1.00 0.00 O ATOM 296 CB GLU A 33 3.385 3.351 9.379 1.00 0.00 C ATOM 297 CG GLU A 33 3.190 4.784 8.943 1.00 0.00 C ATOM 298 CD GLU A 33 2.139 5.507 9.760 1.00 0.00 C ATOM 299 OE1 GLU A 33 0.949 5.471 9.380 1.00 0.00 O ATOM 300 OE2 GLU A 33 2.499 6.125 10.788 1.00 0.00 O ATOM 0 H GLU A 33 3.281 1.049 8.622 1.00 0.00 H new ATOM 0 HA GLU A 33 4.840 3.100 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.490 2.782 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.487 3.324 10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.138 5.316 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.904 4.804 7.891 1.00 0.00 H new ATOM 307 N GLU A 34 5.729 2.157 10.804 1.00 0.00 N ATOM 308 CA GLU A 34 6.745 2.244 11.836 1.00 0.00 C ATOM 309 C GLU A 34 8.007 1.467 11.457 1.00 0.00 C ATOM 310 O GLU A 34 9.103 2.018 11.452 1.00 0.00 O ATOM 311 CB GLU A 34 6.158 1.701 13.140 1.00 0.00 C ATOM 312 CG GLU A 34 7.182 1.436 14.226 1.00 0.00 C ATOM 313 CD GLU A 34 6.540 0.914 15.492 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.989 1.725 16.264 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.579 -0.310 15.721 1.00 0.00 O ATOM 0 H GLU A 34 4.968 1.516 11.027 1.00 0.00 H new ATOM 0 HA GLU A 34 7.038 3.287 11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.423 2.412 13.517 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.625 0.774 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.914 0.713 13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.724 2.356 14.446 1.00 0.00 H new ATOM 322 N ALA A 35 7.828 0.202 11.105 1.00 0.00 N ATOM 323 CA ALA A 35 8.932 -0.737 10.947 1.00 0.00 C ATOM 324 C ALA A 35 9.888 -0.334 9.829 1.00 0.00 C ATOM 325 O ALA A 35 11.090 -0.587 9.917 1.00 0.00 O ATOM 326 CB ALA A 35 8.391 -2.139 10.710 1.00 0.00 C ATOM 0 H ALA A 35 6.911 -0.204 10.920 1.00 0.00 H new ATOM 0 HA ALA A 35 9.508 -0.721 11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.222 -2.835 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.781 -2.442 11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.782 -2.146 9.806 1.00 0.00 H new ATOM 332 N MET A 36 9.360 0.291 8.784 1.00 0.00 N ATOM 333 CA MET A 36 10.181 0.713 7.658 1.00 0.00 C ATOM 334 C MET A 36 11.229 1.734 8.083 1.00 0.00 C ATOM 335 O MET A 36 12.388 1.645 7.677 1.00 0.00 O ATOM 336 CB MET A 36 9.301 1.285 6.551 1.00 0.00 C ATOM 337 CG MET A 36 8.379 0.251 5.938 1.00 0.00 C ATOM 338 SD MET A 36 9.264 -1.053 5.058 1.00 0.00 S ATOM 339 CE MET A 36 10.046 -0.124 3.740 1.00 0.00 C ATOM 0 H MET A 36 8.369 0.516 8.693 1.00 0.00 H new ATOM 0 HA MET A 36 10.707 -0.163 7.279 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.704 2.103 6.954 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.935 1.707 5.771 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.771 -0.197 6.724 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.694 0.746 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.353 -0.806 2.947 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.340 0.604 3.339 1.00 0.00 H new ATOM 0 HE3 MET A 36 10.921 0.396 4.131 1.00 0.00 H new ATOM 349 N GLU A 37 10.833 2.702 8.901 1.00 0.00 N ATOM 350 CA GLU A 37 11.782 3.704 9.377 1.00 0.00 C ATOM 351 C GLU A 37 12.421 3.262 10.693 1.00 0.00 C ATOM 352 O GLU A 37 13.454 3.792 11.104 1.00 0.00 O ATOM 353 CB GLU A 37 11.118 5.077 9.520 1.00 0.00 C ATOM 354 CG GLU A 37 12.091 6.178 9.916 1.00 0.00 C ATOM 355 CD GLU A 37 11.509 7.568 9.775 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.543 7.892 10.495 1.00 0.00 O ATOM 357 OE2 GLU A 37 12.029 8.352 8.958 1.00 0.00 O ATOM 0 H GLU A 37 9.879 2.815 9.244 1.00 0.00 H new ATOM 0 HA GLU A 37 12.572 3.798 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.643 5.343 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.327 5.014 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.402 6.025 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.986 6.102 9.299 1.00 0.00 H new ATOM 364 N ASN A 38 11.808 2.277 11.344 1.00 0.00 N ATOM 365 CA ASN A 38 12.364 1.693 12.563 1.00 0.00 C ATOM 366 C ASN A 38 13.669 0.973 12.246 1.00 0.00 C ATOM 367 O ASN A 38 14.471 0.677 13.134 1.00 0.00 O ATOM 368 CB ASN A 38 11.362 0.722 13.201 1.00 0.00 C ATOM 369 CG ASN A 38 11.850 0.150 14.521 1.00 0.00 C ATOM 370 OD1 ASN A 38 12.482 -0.906 14.559 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.555 0.840 15.613 1.00 0.00 N ATOM 0 H ASN A 38 10.923 1.865 11.047 1.00 0.00 H new ATOM 0 HA ASN A 38 12.565 2.494 13.274 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.416 1.239 13.363 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.164 -0.096 12.508 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.854 0.500 16.527 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.029 1.711 15.539 1.00 0.00 H new ATOM 378 N ASP A 39 13.865 0.687 10.963 1.00 0.00 N ATOM 379 CA ASP A 39 15.119 0.142 10.474 1.00 0.00 C ATOM 380 C ASP A 39 16.275 1.044 10.883 1.00 0.00 C ATOM 381 O ASP A 39 16.239 2.259 10.678 1.00 0.00 O ATOM 382 CB ASP A 39 15.077 0.001 8.951 1.00 0.00 C ATOM 383 CG ASP A 39 16.406 -0.441 8.376 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.869 -1.549 8.726 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.990 0.312 7.576 1.00 0.00 O ATOM 0 H ASP A 39 13.161 0.827 10.239 1.00 0.00 H new ATOM 0 HA ASP A 39 15.267 -0.844 10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.307 -0.720 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.792 0.955 8.508 1.00 0.00 H new ATOM 390 N THR A 40 17.285 0.438 11.480 1.00 0.00 N ATOM 391 CA THR A 40 18.419 1.164 12.028 1.00 0.00 C ATOM 392 C THR A 40 19.194 1.922 10.957 1.00 0.00 C ATOM 393 O THR A 40 19.838 2.930 11.248 1.00 0.00 O ATOM 394 CB THR A 40 19.362 0.202 12.763 1.00 0.00 C ATOM 395 OG1 THR A 40 19.418 -1.048 12.059 1.00 0.00 O ATOM 396 CG2 THR A 40 18.895 -0.026 14.191 1.00 0.00 C ATOM 0 H THR A 40 17.343 -0.573 11.599 1.00 0.00 H new ATOM 0 HA THR A 40 18.019 1.897 12.728 1.00 0.00 H new ATOM 0 HB THR A 40 20.357 0.646 12.796 1.00 0.00 H new ATOM 0 HG1 THR A 40 20.022 -1.661 12.528 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.579 -0.711 14.692 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.878 0.924 14.724 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.893 -0.455 14.182 1.00 0.00 H new ATOM 404 N GLU A 41 19.120 1.448 9.721 1.00 0.00 N ATOM 405 CA GLU A 41 19.839 2.078 8.626 1.00 0.00 C ATOM 406 C GLU A 41 18.914 2.970 7.806 1.00 0.00 C ATOM 407 O GLU A 41 19.341 3.611 6.843 1.00 0.00 O ATOM 408 CB GLU A 41 20.476 1.020 7.727 1.00 0.00 C ATOM 409 CG GLU A 41 21.438 0.105 8.460 1.00 0.00 C ATOM 410 CD GLU A 41 22.013 -0.968 7.565 1.00 0.00 C ATOM 411 OE1 GLU A 41 21.390 -2.045 7.445 1.00 0.00 O ATOM 412 OE2 GLU A 41 23.098 -0.750 6.987 1.00 0.00 O ATOM 0 H GLU A 41 18.570 0.631 9.453 1.00 0.00 H new ATOM 0 HA GLU A 41 20.625 2.699 9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.689 0.418 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.006 1.516 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.251 0.698 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.921 -0.364 9.298 1.00 0.00 H new ATOM 419 N ASN A 42 17.641 3.003 8.237 1.00 0.00 N ATOM 420 CA ASN A 42 16.555 3.713 7.554 1.00 0.00 C ATOM 421 C ASN A 42 16.659 3.581 6.040 1.00 0.00 C ATOM 422 O ASN A 42 16.606 4.570 5.308 1.00 0.00 O ATOM 423 CB ASN A 42 16.469 5.190 7.993 1.00 0.00 C ATOM 424 CG ASN A 42 17.766 5.968 7.827 1.00 0.00 C ATOM 425 OD1 ASN A 42 18.606 6.001 8.727 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.934 6.606 6.681 1.00 0.00 N ATOM 0 H ASN A 42 17.336 2.527 9.086 1.00 0.00 H new ATOM 0 HA ASN A 42 15.623 3.235 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.686 5.683 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.167 5.229 9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.782 7.149 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.215 6.555 5.959 1.00 0.00 H new ATOM 433 N LEU A 43 16.759 2.333 5.578 1.00 0.00 N ATOM 434 CA LEU A 43 16.960 2.024 4.160 1.00 0.00 C ATOM 435 C LEU A 43 15.819 2.533 3.274 1.00 0.00 C ATOM 436 O LEU A 43 15.893 2.427 2.048 1.00 0.00 O ATOM 437 CB LEU A 43 17.126 0.513 3.966 1.00 0.00 C ATOM 438 CG LEU A 43 18.324 -0.114 4.688 1.00 0.00 C ATOM 439 CD1 LEU A 43 18.341 -1.620 4.481 1.00 0.00 C ATOM 440 CD2 LEU A 43 19.629 0.499 4.201 1.00 0.00 C ATOM 0 H LEU A 43 16.703 1.508 6.176 1.00 0.00 H new ATOM 0 HA LEU A 43 17.867 2.543 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 16.217 0.018 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.218 0.309 2.899 1.00 0.00 H new ATOM 0 HG LEU A 43 18.224 0.091 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 19.198 -2.049 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.423 -2.052 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.415 -1.840 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 43 20.466 0.039 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.735 0.326 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.623 1.571 4.397 1.00 0.00 H new ATOM 452 N ILE A 44 14.778 3.092 3.888 1.00 0.00 N ATOM 453 CA ILE A 44 13.669 3.687 3.148 1.00 0.00 C ATOM 454 C ILE A 44 14.180 4.761 2.183 1.00 0.00 C ATOM 455 O ILE A 44 13.604 4.976 1.121 1.00 0.00 O ATOM 456 CB ILE A 44 12.621 4.320 4.097 1.00 0.00 C ATOM 457 CG1 ILE A 44 11.351 4.674 3.326 1.00 0.00 C ATOM 458 CG2 ILE A 44 13.174 5.565 4.775 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.250 3.650 3.459 1.00 0.00 C ATOM 0 H ILE A 44 14.680 3.145 4.902 1.00 0.00 H new ATOM 0 HA ILE A 44 13.192 2.883 2.588 1.00 0.00 H new ATOM 0 HB ILE A 44 12.382 3.586 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.982 5.638 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.599 4.792 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.416 5.987 5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.056 5.300 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.447 6.301 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.382 3.972 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.599 2.689 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.973 3.548 4.508 1.00 0.00 H new ATOM 471 N GLU A 45 15.283 5.413 2.556 1.00 0.00 N ATOM 472 CA GLU A 45 15.845 6.497 1.758 1.00 0.00 C ATOM 473 C GLU A 45 16.328 5.994 0.398 1.00 0.00 C ATOM 474 O GLU A 45 16.188 6.680 -0.612 1.00 0.00 O ATOM 475 CB GLU A 45 16.995 7.173 2.503 1.00 0.00 C ATOM 476 CG GLU A 45 18.094 6.214 2.906 1.00 0.00 C ATOM 477 CD GLU A 45 19.389 6.914 3.252 1.00 0.00 C ATOM 478 OE1 GLU A 45 19.533 7.380 4.400 1.00 0.00 O ATOM 479 OE2 GLU A 45 20.277 6.990 2.371 1.00 0.00 O ATOM 0 H GLU A 45 15.804 5.206 3.408 1.00 0.00 H new ATOM 0 HA GLU A 45 15.053 7.227 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.418 7.954 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.603 7.661 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.762 5.629 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.273 5.512 2.092 1.00 0.00 H new ATOM 486 N LYS A 46 16.867 4.781 0.377 1.00 0.00 N ATOM 487 CA LYS A 46 17.462 4.220 -0.832 1.00 0.00 C ATOM 488 C LYS A 46 16.388 3.735 -1.798 1.00 0.00 C ATOM 489 O LYS A 46 16.654 3.503 -2.977 1.00 0.00 O ATOM 490 CB LYS A 46 18.387 3.062 -0.462 1.00 0.00 C ATOM 491 CG LYS A 46 19.606 3.496 0.336 1.00 0.00 C ATOM 492 CD LYS A 46 20.224 2.335 1.094 1.00 0.00 C ATOM 493 CE LYS A 46 20.738 1.259 0.154 1.00 0.00 C ATOM 494 NZ LYS A 46 21.963 1.688 -0.571 1.00 0.00 N ATOM 0 H LYS A 46 16.905 4.163 1.188 1.00 0.00 H new ATOM 0 HA LYS A 46 18.036 5.004 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.825 2.328 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.717 2.564 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.347 3.927 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.321 4.279 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.044 2.700 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.483 1.905 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.952 0.354 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.960 1.006 -0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.318 0.900 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.737 2.495 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.692 1.969 0.115 1.00 0.00 H new ATOM 508 N VAL A 47 15.179 3.590 -1.290 1.00 0.00 N ATOM 509 CA VAL A 47 14.080 3.053 -2.070 1.00 0.00 C ATOM 510 C VAL A 47 12.849 3.958 -1.945 1.00 0.00 C ATOM 511 O VAL A 47 11.703 3.505 -1.957 1.00 0.00 O ATOM 512 CB VAL A 47 13.773 1.596 -1.638 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.285 1.533 -0.199 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.787 0.930 -2.587 1.00 0.00 C ATOM 0 H VAL A 47 14.932 3.839 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 47 14.365 3.029 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 47 14.707 1.037 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 47 13.079 0.497 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 47 14.052 1.935 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.373 2.122 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.594 -0.090 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.853 1.492 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.207 0.911 -3.593 1.00 0.00 H new ATOM 524 N ARG A 48 13.102 5.254 -1.795 1.00 0.00 N ATOM 525 CA ARG A 48 12.031 6.231 -1.647 1.00 0.00 C ATOM 526 C ARG A 48 11.076 6.206 -2.828 1.00 0.00 C ATOM 527 O ARG A 48 11.449 6.502 -3.965 1.00 0.00 O ATOM 528 CB ARG A 48 12.587 7.637 -1.461 1.00 0.00 C ATOM 529 CG ARG A 48 13.111 7.883 -0.064 1.00 0.00 C ATOM 530 CD ARG A 48 13.484 9.342 0.139 1.00 0.00 C ATOM 531 NE ARG A 48 13.927 9.617 1.507 1.00 0.00 N ATOM 532 CZ ARG A 48 14.468 10.773 1.895 1.00 0.00 C ATOM 533 NH1 ARG A 48 14.660 11.751 1.017 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.821 10.950 3.162 1.00 0.00 N ATOM 0 H ARG A 48 14.041 5.652 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 48 11.474 5.952 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.390 7.803 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.806 8.364 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.355 7.594 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.983 7.254 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.277 9.612 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.625 9.970 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 48 13.815 8.881 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.393 11.620 0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.074 12.633 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.679 10.202 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.235 11.834 3.457 1.00 0.00 H new ATOM 548 N GLY A 49 9.838 5.863 -2.533 1.00 0.00 N ATOM 549 CA GLY A 49 8.812 5.762 -3.551 1.00 0.00 C ATOM 550 C GLY A 49 7.449 5.565 -2.934 1.00 0.00 C ATOM 551 O GLY A 49 7.334 5.417 -1.724 1.00 0.00 O ATOM 0 H GLY A 49 9.517 5.648 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.811 6.665 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.037 4.928 -4.216 1.00 0.00 H new ATOM 555 N ILE A 50 6.409 5.579 -3.741 1.00 0.00 N ATOM 556 CA ILE A 50 5.063 5.421 -3.218 1.00 0.00 C ATOM 557 C ILE A 50 4.517 4.031 -3.512 1.00 0.00 C ATOM 558 O ILE A 50 4.498 3.584 -4.660 1.00 0.00 O ATOM 559 CB ILE A 50 4.123 6.505 -3.775 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.667 7.880 -3.380 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.702 6.308 -3.263 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.810 9.045 -3.812 1.00 0.00 C ATOM 0 H ILE A 50 6.465 5.697 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 50 5.114 5.539 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 50 4.085 6.431 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.782 7.913 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.662 7.999 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.057 7.086 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.334 5.331 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.696 6.365 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.274 9.977 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.715 9.044 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.821 8.956 -3.361 1.00 0.00 H new ATOM 574 N TYR A 51 4.087 3.356 -2.459 1.00 0.00 N ATOM 575 CA TYR A 51 3.579 1.999 -2.560 1.00 0.00 C ATOM 576 C TYR A 51 2.068 1.999 -2.379 1.00 0.00 C ATOM 577 O TYR A 51 1.567 2.277 -1.291 1.00 0.00 O ATOM 578 CB TYR A 51 4.225 1.098 -1.497 1.00 0.00 C ATOM 579 CG TYR A 51 5.723 0.918 -1.638 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.590 2.003 -1.569 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.270 -0.344 -1.826 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.955 1.833 -1.691 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.633 -0.521 -1.947 1.00 0.00 C ATOM 584 CZ TYR A 51 8.469 0.570 -1.881 1.00 0.00 C ATOM 585 OH TYR A 51 9.825 0.395 -2.003 1.00 0.00 O ATOM 0 H TYR A 51 4.080 3.733 -1.511 1.00 0.00 H new ATOM 0 HA TYR A 51 3.828 1.609 -3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.015 1.515 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.751 0.117 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.189 2.994 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.617 -1.203 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.615 2.686 -1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.041 -1.510 -2.093 1.00 0.00 H new ATOM 0 HH TYR A 51 10.008 -0.274 -2.696 1.00 0.00 H new ATOM 595 N GLY A 52 1.347 1.709 -3.444 1.00 0.00 N ATOM 596 CA GLY A 52 -0.096 1.659 -3.360 1.00 0.00 C ATOM 597 C GLY A 52 -0.587 0.252 -3.125 1.00 0.00 C ATOM 598 O GLY A 52 -0.385 -0.629 -3.958 1.00 0.00 O ATOM 0 H GLY A 52 1.732 1.507 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.437 2.305 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.529 2.048 -4.282 1.00 0.00 H new ATOM 602 N PHE A 53 -1.216 0.030 -1.989 1.00 0.00 N ATOM 603 CA PHE A 53 -1.705 -1.294 -1.639 1.00 0.00 C ATOM 604 C PHE A 53 -3.198 -1.426 -1.895 1.00 0.00 C ATOM 605 O PHE A 53 -4.018 -0.831 -1.193 1.00 0.00 O ATOM 606 CB PHE A 53 -1.396 -1.617 -0.178 1.00 0.00 C ATOM 607 CG PHE A 53 -0.118 -2.383 0.018 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.112 -1.775 -0.169 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.153 -3.715 0.396 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.284 -2.484 0.018 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.013 -4.428 0.586 1.00 0.00 C ATOM 612 CZ PHE A 53 2.235 -3.811 0.397 1.00 0.00 C ATOM 0 H PHE A 53 -1.402 0.748 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.187 -2.009 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.340 -0.686 0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.222 -2.194 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.156 -0.737 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.106 -4.202 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.238 -2.000 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.971 -5.466 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.150 -4.365 0.545 1.00 0.00 H new ATOM 622 N LYS A 54 -3.534 -2.205 -2.909 1.00 0.00 N ATOM 623 CA LYS A 54 -4.916 -2.524 -3.224 1.00 0.00 C ATOM 624 C LYS A 54 -5.294 -3.840 -2.561 1.00 0.00 C ATOM 625 O LYS A 54 -4.964 -4.916 -3.061 1.00 0.00 O ATOM 626 CB LYS A 54 -5.103 -2.627 -4.737 1.00 0.00 C ATOM 627 CG LYS A 54 -5.108 -1.293 -5.456 1.00 0.00 C ATOM 628 CD LYS A 54 -5.193 -1.485 -6.960 1.00 0.00 C ATOM 629 CE LYS A 54 -5.347 -0.159 -7.685 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.657 0.482 -7.395 1.00 0.00 N ATOM 0 H LYS A 54 -2.855 -2.635 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.562 -1.730 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.306 -3.246 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.043 -3.140 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.953 -0.695 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.203 -0.739 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.295 -1.992 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.038 -2.131 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.541 0.512 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.251 -0.319 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.834 1.238 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.413 -0.229 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.641 0.886 -6.437 1.00 0.00 H new ATOM 644 N VAL A 55 -5.975 -3.752 -1.435 1.00 0.00 N ATOM 645 CA VAL A 55 -6.306 -4.929 -0.652 1.00 0.00 C ATOM 646 C VAL A 55 -7.733 -5.384 -0.935 1.00 0.00 C ATOM 647 O VAL A 55 -8.657 -4.575 -0.963 1.00 0.00 O ATOM 648 CB VAL A 55 -6.141 -4.661 0.857 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.270 -5.948 1.653 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.804 -3.991 1.140 1.00 0.00 C ATOM 0 H VAL A 55 -6.312 -2.874 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.614 -5.719 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.938 -3.986 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.150 -5.733 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.253 -6.386 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.500 -6.651 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.707 -3.810 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.994 -4.640 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.752 -3.042 0.606 1.00 0.00 H new ATOM 660 N ARG A 56 -7.901 -6.678 -1.159 1.00 0.00 N ATOM 661 CA ARG A 56 -9.210 -7.246 -1.448 1.00 0.00 C ATOM 662 C ARG A 56 -9.550 -8.329 -0.426 1.00 0.00 C ATOM 663 O ARG A 56 -8.706 -8.690 0.394 1.00 0.00 O ATOM 664 CB ARG A 56 -9.228 -7.831 -2.863 1.00 0.00 C ATOM 665 CG ARG A 56 -8.700 -6.875 -3.925 1.00 0.00 C ATOM 666 CD ARG A 56 -8.836 -7.454 -5.323 1.00 0.00 C ATOM 667 NE ARG A 56 -10.232 -7.519 -5.758 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.716 -8.447 -6.581 1.00 0.00 C ATOM 669 NH1 ARG A 56 -9.923 -9.403 -7.050 1.00 0.00 N ATOM 670 NH2 ARG A 56 -11.997 -8.424 -6.929 1.00 0.00 N ATOM 0 H ARG A 56 -7.142 -7.359 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.959 -6.456 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.631 -8.743 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.249 -8.115 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.244 -5.932 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.652 -6.652 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.266 -6.845 -6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.403 -8.454 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.875 -6.808 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.940 -9.428 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.297 -10.112 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.611 -7.695 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.367 -9.135 -7.560 1.00 0.00 H new ATOM 684 N ASN A 57 -10.781 -8.839 -0.487 1.00 0.00 N ATOM 685 CA ASN A 57 -11.255 -9.882 0.435 1.00 0.00 C ATOM 686 C ASN A 57 -11.196 -9.412 1.884 1.00 0.00 C ATOM 687 O ASN A 57 -10.658 -10.100 2.756 1.00 0.00 O ATOM 688 CB ASN A 57 -10.449 -11.177 0.285 1.00 0.00 C ATOM 689 CG ASN A 57 -10.650 -11.849 -1.060 1.00 0.00 C ATOM 690 OD1 ASN A 57 -11.691 -11.691 -1.698 1.00 0.00 O ATOM 691 ND2 ASN A 57 -9.665 -12.617 -1.495 1.00 0.00 N ATOM 0 H ASN A 57 -11.477 -8.545 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.293 -10.084 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.390 -10.957 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.734 -11.870 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.753 -13.103 -2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.817 -12.723 -0.938 1.00 0.00 H new ATOM 698 N GLY A 58 -11.742 -8.230 2.132 1.00 0.00 N ATOM 699 CA GLY A 58 -11.812 -7.707 3.485 1.00 0.00 C ATOM 700 C GLY A 58 -12.940 -8.333 4.292 1.00 0.00 C ATOM 701 O GLY A 58 -13.169 -9.537 4.195 1.00 0.00 O ATOM 0 H GLY A 58 -12.140 -7.620 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.864 -7.888 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.952 -6.627 3.447 1.00 0.00 H new ATOM 705 N PRO A 59 -13.652 -7.532 5.111 1.00 0.00 N ATOM 706 CA PRO A 59 -14.792 -7.994 5.919 1.00 0.00 C ATOM 707 C PRO A 59 -15.719 -8.971 5.191 1.00 0.00 C ATOM 708 O PRO A 59 -15.883 -10.118 5.609 1.00 0.00 O ATOM 709 CB PRO A 59 -15.537 -6.700 6.190 1.00 0.00 C ATOM 710 CG PRO A 59 -14.471 -5.664 6.283 1.00 0.00 C ATOM 711 CD PRO A 59 -13.363 -6.105 5.361 1.00 0.00 C ATOM 0 HA PRO A 59 -14.457 -8.544 6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.241 -6.473 5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.113 -6.760 7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.854 -4.686 5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.109 -5.571 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.362 -5.530 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.384 -5.971 5.821 1.00 0.00 H new ATOM 719 N ASN A 60 -16.321 -8.512 4.103 1.00 0.00 N ATOM 720 CA ASN A 60 -17.224 -9.347 3.322 1.00 0.00 C ATOM 721 C ASN A 60 -17.223 -8.896 1.870 1.00 0.00 C ATOM 722 O ASN A 60 -18.073 -8.115 1.445 1.00 0.00 O ATOM 723 CB ASN A 60 -18.643 -9.291 3.895 1.00 0.00 C ATOM 724 CG ASN A 60 -19.587 -10.264 3.211 1.00 0.00 C ATOM 725 OD1 ASN A 60 -20.254 -9.923 2.234 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.650 -11.487 3.719 1.00 0.00 N ATOM 0 H ASN A 60 -16.201 -7.566 3.741 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.876 -10.379 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.609 -9.512 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.033 -8.278 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.267 -12.183 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.082 -11.732 4.530 1.00 0.00 H new ATOM 733 N GLY A 61 -16.227 -9.356 1.129 1.00 0.00 N ATOM 734 CA GLY A 61 -16.095 -8.984 -0.269 1.00 0.00 C ATOM 735 C GLY A 61 -15.627 -7.554 -0.413 1.00 0.00 C ATOM 736 O GLY A 61 -15.658 -6.977 -1.499 1.00 0.00 O ATOM 0 H GLY A 61 -15.501 -9.985 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.388 -9.652 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.053 -9.108 -0.773 1.00 0.00 H new ATOM 740 N ALA A 62 -15.179 -6.996 0.701 1.00 0.00 N ATOM 741 CA ALA A 62 -14.787 -5.600 0.766 1.00 0.00 C ATOM 742 C ALA A 62 -13.379 -5.400 0.262 1.00 0.00 C ATOM 743 O ALA A 62 -12.561 -6.323 0.265 1.00 0.00 O ATOM 744 CB ALA A 62 -14.906 -5.098 2.190 1.00 0.00 C ATOM 0 H ALA A 62 -15.078 -7.498 1.583 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.457 -5.030 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.610 -4.050 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.938 -5.198 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.255 -5.685 2.838 1.00 0.00 H new ATOM 750 N GLU A 63 -13.110 -4.183 -0.157 1.00 0.00 N ATOM 751 CA GLU A 63 -11.830 -3.833 -0.718 1.00 0.00 C ATOM 752 C GLU A 63 -11.315 -2.541 -0.112 1.00 0.00 C ATOM 753 O GLU A 63 -12.080 -1.620 0.173 1.00 0.00 O ATOM 754 CB GLU A 63 -11.966 -3.706 -2.226 1.00 0.00 C ATOM 755 CG GLU A 63 -12.048 -5.048 -2.920 1.00 0.00 C ATOM 756 CD GLU A 63 -12.414 -4.931 -4.380 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.542 -4.499 -4.684 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.573 -5.271 -5.234 1.00 0.00 O ATOM 0 H GLU A 63 -13.775 -3.410 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.108 -4.616 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.859 -3.126 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.114 -3.150 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.088 -5.557 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.787 -5.669 -2.414 1.00 0.00 H new ATOM 765 N GLY A 64 -10.018 -2.495 0.087 1.00 0.00 N ATOM 766 CA GLY A 64 -9.392 -1.342 0.692 1.00 0.00 C ATOM 767 C GLY A 64 -8.173 -0.906 -0.083 1.00 0.00 C ATOM 768 O GLY A 64 -7.639 -1.672 -0.884 1.00 0.00 O ATOM 0 H GLY A 64 -9.374 -3.246 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.107 -0.521 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.108 -1.577 1.718 1.00 0.00 H new ATOM 772 N TYR A 65 -7.725 0.314 0.149 1.00 0.00 N ATOM 773 CA TYR A 65 -6.601 0.858 -0.588 1.00 0.00 C ATOM 774 C TYR A 65 -5.802 1.829 0.277 1.00 0.00 C ATOM 775 O TYR A 65 -6.317 2.861 0.707 1.00 0.00 O ATOM 776 CB TYR A 65 -7.111 1.551 -1.853 1.00 0.00 C ATOM 777 CG TYR A 65 -6.028 2.173 -2.693 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.942 1.426 -3.124 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.091 3.510 -3.055 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.948 1.993 -3.890 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.103 4.086 -3.824 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.033 3.324 -4.238 1.00 0.00 C ATOM 783 OH TYR A 65 -3.049 3.896 -5.007 1.00 0.00 O ATOM 0 H TYR A 65 -8.123 0.947 0.843 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.934 0.044 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.653 0.825 -2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.824 2.325 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.875 0.382 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.928 4.110 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.107 1.399 -4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.167 5.128 -4.100 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.262 4.840 -5.162 1.00 0.00 H new ATOM 793 N TRP A 66 -4.543 1.496 0.527 1.00 0.00 N ATOM 794 CA TRP A 66 -3.676 2.337 1.344 1.00 0.00 C ATOM 795 C TRP A 66 -2.462 2.764 0.540 1.00 0.00 C ATOM 796 O TRP A 66 -1.901 1.979 -0.222 1.00 0.00 O ATOM 797 CB TRP A 66 -3.215 1.629 2.632 1.00 0.00 C ATOM 798 CG TRP A 66 -4.301 1.401 3.643 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.507 2.115 4.790 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.315 0.389 3.615 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.589 1.616 5.470 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.103 0.556 4.770 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.638 -0.638 2.725 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.189 -0.267 5.056 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.716 -1.452 3.011 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.481 -1.262 4.166 1.00 0.00 C ATOM 0 H TRP A 66 -4.098 0.648 0.176 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.259 3.210 1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.777 0.667 2.365 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.425 2.222 3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.905 2.951 5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.952 1.975 6.353 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -5.055 -0.793 1.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.779 -0.124 5.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.973 -2.250 2.330 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.320 -1.915 4.359 1.00 0.00 H new ATOM 817 N VAL A 67 -2.077 4.011 0.703 1.00 0.00 N ATOM 818 CA VAL A 67 -0.923 4.556 0.020 1.00 0.00 C ATOM 819 C VAL A 67 0.227 4.758 0.997 1.00 0.00 C ATOM 820 O VAL A 67 0.140 5.584 1.904 1.00 0.00 O ATOM 821 CB VAL A 67 -1.266 5.899 -0.658 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.010 6.597 -1.143 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.233 5.687 -1.810 1.00 0.00 C ATOM 0 H VAL A 67 -2.554 4.676 1.312 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.622 3.843 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.746 6.537 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.278 7.541 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.649 6.790 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.504 5.962 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.462 6.646 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.780 5.025 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.152 5.237 -1.435 1.00 0.00 H new ATOM 833 N ILE A 68 1.286 3.986 0.826 1.00 0.00 N ATOM 834 CA ILE A 68 2.482 4.154 1.631 1.00 0.00 C ATOM 835 C ILE A 68 3.423 5.126 0.933 1.00 0.00 C ATOM 836 O ILE A 68 4.115 4.764 -0.024 1.00 0.00 O ATOM 837 CB ILE A 68 3.224 2.817 1.894 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.346 1.824 2.668 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.518 3.065 2.656 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.296 1.126 1.830 1.00 0.00 C ATOM 0 H ILE A 68 1.342 3.236 0.136 1.00 0.00 H new ATOM 0 HA ILE A 68 2.169 4.543 2.600 1.00 0.00 H new ATOM 0 HB ILE A 68 3.456 2.378 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.988 1.070 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.850 2.355 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.025 2.116 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.165 3.719 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.292 3.538 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.723 0.444 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.626 1.867 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.782 0.563 1.033 1.00 0.00 H new ATOM 852 N ASN A 69 3.425 6.366 1.392 1.00 0.00 N ATOM 853 CA ASN A 69 4.260 7.388 0.790 1.00 0.00 C ATOM 854 C ASN A 69 5.651 7.346 1.402 1.00 0.00 C ATOM 855 O ASN A 69 5.900 7.907 2.473 1.00 0.00 O ATOM 856 CB ASN A 69 3.639 8.780 0.974 1.00 0.00 C ATOM 857 CG ASN A 69 4.369 9.869 0.195 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.582 9.802 -0.026 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.632 10.886 -0.226 1.00 0.00 N ATOM 0 H ASN A 69 2.859 6.687 2.177 1.00 0.00 H new ATOM 0 HA ASN A 69 4.334 7.189 -0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.597 8.751 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.642 9.035 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.064 11.646 -0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.632 10.909 -0.025 1.00 0.00 H new ATOM 866 N ALA A 70 6.553 6.679 0.710 1.00 0.00 N ATOM 867 CA ALA A 70 7.947 6.643 1.099 1.00 0.00 C ATOM 868 C ALA A 70 8.743 7.595 0.217 1.00 0.00 C ATOM 869 O ALA A 70 9.948 7.742 0.378 1.00 0.00 O ATOM 870 CB ALA A 70 8.491 5.228 0.994 1.00 0.00 C ATOM 0 H ALA A 70 6.341 6.149 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 70 8.040 6.961 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.540 5.219 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.923 4.570 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.401 4.879 -0.035 1.00 0.00 H new ATOM 876 N LYS A 71 8.043 8.249 -0.714 1.00 0.00 N ATOM 877 CA LYS A 71 8.664 9.195 -1.635 1.00 0.00 C ATOM 878 C LYS A 71 9.242 10.375 -0.865 1.00 0.00 C ATOM 879 O LYS A 71 10.374 10.791 -1.096 1.00 0.00 O ATOM 880 CB LYS A 71 7.631 9.681 -2.655 1.00 0.00 C ATOM 881 CG LYS A 71 8.172 10.669 -3.677 1.00 0.00 C ATOM 882 CD LYS A 71 9.196 10.031 -4.605 1.00 0.00 C ATOM 883 CE LYS A 71 8.555 9.033 -5.554 1.00 0.00 C ATOM 884 NZ LYS A 71 7.684 9.692 -6.564 1.00 0.00 N ATOM 0 H LYS A 71 7.038 8.137 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 71 9.475 8.695 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.225 8.818 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.803 10.147 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.347 11.067 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.629 11.512 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.699 10.808 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.960 9.529 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.335 8.468 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.965 8.317 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.433 9.007 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.817 10.036 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.192 10.494 -6.990 1.00 0.00 H new ATOM 898 N GLU A 72 8.455 10.893 0.069 1.00 0.00 N ATOM 899 CA GLU A 72 8.904 11.969 0.942 1.00 0.00 C ATOM 900 C GLU A 72 9.904 11.447 1.966 1.00 0.00 C ATOM 901 O GLU A 72 10.516 12.213 2.706 1.00 0.00 O ATOM 902 CB GLU A 72 7.708 12.588 1.661 1.00 0.00 C ATOM 903 CG GLU A 72 6.755 13.307 0.732 1.00 0.00 C ATOM 904 CD GLU A 72 7.403 14.497 0.062 1.00 0.00 C ATOM 905 OE1 GLU A 72 7.898 15.387 0.784 1.00 0.00 O ATOM 906 OE2 GLU A 72 7.441 14.543 -1.184 1.00 0.00 O ATOM 0 H GLU A 72 7.499 10.584 0.242 1.00 0.00 H new ATOM 0 HA GLU A 72 9.393 12.728 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.166 11.804 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.069 13.289 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.398 12.613 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.882 13.639 1.295 1.00 0.00 H new ATOM 913 N GLY A 73 10.047 10.130 2.010 1.00 0.00 N ATOM 914 CA GLY A 73 10.944 9.509 2.959 1.00 0.00 C ATOM 915 C GLY A 73 10.275 9.266 4.290 1.00 0.00 C ATOM 916 O GLY A 73 10.866 8.679 5.193 1.00 0.00 O ATOM 0 H GLY A 73 9.553 9.478 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.302 8.562 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.818 10.145 3.103 1.00 0.00 H new ATOM 920 N LYS A 74 9.039 9.725 4.403 1.00 0.00 N ATOM 921 CA LYS A 74 8.286 9.618 5.642 1.00 0.00 C ATOM 922 C LYS A 74 7.866 8.180 5.915 1.00 0.00 C ATOM 923 O LYS A 74 7.905 7.716 7.054 1.00 0.00 O ATOM 924 CB LYS A 74 7.068 10.534 5.598 1.00 0.00 C ATOM 925 CG LYS A 74 7.445 11.989 5.406 1.00 0.00 C ATOM 926 CD LYS A 74 6.294 12.914 5.739 1.00 0.00 C ATOM 927 CE LYS A 74 5.154 12.794 4.742 1.00 0.00 C ATOM 928 NZ LYS A 74 4.081 13.791 4.999 1.00 0.00 N ATOM 0 H LYS A 74 8.532 10.180 3.644 1.00 0.00 H new ATOM 0 HA LYS A 74 8.935 9.932 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.411 10.222 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.503 10.427 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.300 12.230 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.756 12.151 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.925 12.687 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.651 13.944 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.540 12.930 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.734 11.789 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.323 13.674 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.694 13.646 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.475 14.751 4.927 1.00 0.00 H new ATOM 942 N GLY A 75 7.464 7.482 4.856 1.00 0.00 N ATOM 943 CA GLY A 75 7.110 6.081 4.973 1.00 0.00 C ATOM 944 C GLY A 75 5.767 5.875 5.641 1.00 0.00 C ATOM 945 O GLY A 75 5.569 4.896 6.353 1.00 0.00 O ATOM 0 H GLY A 75 7.377 7.866 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.091 5.630 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.880 5.562 5.544 1.00 0.00 H new ATOM 949 N LYS A 76 4.840 6.794 5.401 1.00 0.00 N ATOM 950 CA LYS A 76 3.545 6.745 6.062 1.00 0.00 C ATOM 951 C LYS A 76 2.511 6.107 5.147 1.00 0.00 C ATOM 952 O LYS A 76 2.599 6.228 3.927 1.00 0.00 O ATOM 953 CB LYS A 76 3.076 8.151 6.452 1.00 0.00 C ATOM 954 CG LYS A 76 2.610 8.995 5.270 1.00 0.00 C ATOM 955 CD LYS A 76 2.029 10.330 5.713 1.00 0.00 C ATOM 956 CE LYS A 76 0.896 10.151 6.714 1.00 0.00 C ATOM 957 NZ LYS A 76 0.328 11.450 7.160 1.00 0.00 N ATOM 0 H LYS A 76 4.961 7.577 4.758 1.00 0.00 H new ATOM 0 HA LYS A 76 3.653 6.145 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.260 8.066 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.891 8.669 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.450 9.171 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.859 8.443 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.816 10.938 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.662 10.873 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.108 9.548 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.263 9.601 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.440 11.278 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.072 12.017 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.047 11.965 6.338 1.00 0.00 H new ATOM 971 N VAL A 77 1.532 5.432 5.730 1.00 0.00 N ATOM 972 CA VAL A 77 0.472 4.831 4.945 1.00 0.00 C ATOM 973 C VAL A 77 -0.824 5.599 5.181 1.00 0.00 C ATOM 974 O VAL A 77 -1.167 5.929 6.318 1.00 0.00 O ATOM 975 CB VAL A 77 0.293 3.312 5.251 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.543 2.733 5.896 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.930 3.024 6.109 1.00 0.00 C ATOM 0 H VAL A 77 1.452 5.289 6.737 1.00 0.00 H new ATOM 0 HA VAL A 77 0.747 4.897 3.892 1.00 0.00 H new ATOM 0 HB VAL A 77 0.132 2.822 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.390 1.673 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.390 2.855 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.745 3.255 6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.004 1.952 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.838 3.547 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.826 3.367 5.592 1.00 0.00 H new ATOM 987 N THR A 78 -1.506 5.931 4.105 1.00 0.00 N ATOM 988 CA THR A 78 -2.746 6.674 4.195 1.00 0.00 C ATOM 989 C THR A 78 -3.810 6.043 3.301 1.00 0.00 C ATOM 990 O THR A 78 -3.564 5.748 2.130 1.00 0.00 O ATOM 991 CB THR A 78 -2.526 8.163 3.827 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.772 8.873 3.823 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.843 8.306 2.472 1.00 0.00 C ATOM 0 H THR A 78 -1.221 5.697 3.154 1.00 0.00 H new ATOM 0 HA THR A 78 -3.097 6.634 5.226 1.00 0.00 H new ATOM 0 HB THR A 78 -1.873 8.595 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.613 9.812 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.704 9.363 2.244 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.873 7.810 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.463 7.848 1.702 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.979 5.795 3.877 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.078 5.172 3.152 1.00 0.00 C ATOM 1003 C TYR A 79 -6.585 6.102 2.055 1.00 0.00 C ATOM 1004 O TYR A 79 -6.990 7.232 2.332 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.217 4.808 4.112 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.383 4.111 3.442 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.342 2.748 3.175 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.521 4.816 3.073 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.400 2.110 2.558 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.582 4.185 2.455 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.517 2.833 2.200 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.571 2.202 1.577 1.00 0.00 O ATOM 0 H TYR A 79 -5.191 6.017 4.850 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.711 4.256 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.824 4.164 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.577 5.717 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.468 2.178 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.577 5.876 3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.352 1.050 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.459 4.749 2.173 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.280 2.853 1.393 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.557 5.608 0.818 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.945 6.391 -0.356 1.00 0.00 C ATOM 1024 C ASN A 80 -6.134 7.687 -0.406 1.00 0.00 C ATOM 1025 O ASN A 80 -6.677 8.783 -0.265 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.449 6.695 -0.333 1.00 0.00 C ATOM 1027 CG ASN A 80 -9.008 7.039 -1.703 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.291 7.508 -2.591 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -10.300 6.815 -1.883 1.00 0.00 N ATOM 0 H ASN A 80 -6.265 4.655 0.601 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.734 5.808 -1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.982 5.831 0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.635 7.525 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.735 7.031 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.861 6.426 -1.125 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.827 7.539 -0.601 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.919 8.672 -0.538 1.00 0.00 C ATOM 1038 C GLY A 81 -4.103 9.664 -1.669 1.00 0.00 C ATOM 1039 O GLY A 81 -4.027 10.875 -1.458 1.00 0.00 O ATOM 0 H GLY A 81 -4.377 6.646 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.061 9.187 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.893 8.305 -0.552 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.330 9.159 -2.871 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.505 10.028 -4.022 1.00 0.00 C ATOM 1045 C GLY A 82 -3.202 10.264 -4.760 1.00 0.00 C ATOM 1046 O GLY A 82 -3.199 10.617 -5.937 1.00 0.00 O ATOM 0 H GLY A 82 -4.397 8.162 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.232 9.585 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.915 10.984 -3.695 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.093 10.053 -4.065 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.775 10.152 -4.675 1.00 0.00 C ATOM 1052 C GLU A 83 -0.570 8.973 -5.608 1.00 0.00 C ATOM 1053 O GLU A 83 -1.030 7.869 -5.314 1.00 0.00 O ATOM 1054 CB GLU A 83 0.311 10.140 -3.598 1.00 0.00 C ATOM 1055 CG GLU A 83 0.137 11.212 -2.539 1.00 0.00 C ATOM 1056 CD GLU A 83 0.274 12.614 -3.092 1.00 0.00 C ATOM 1057 OE1 GLU A 83 -0.718 13.155 -3.621 1.00 0.00 O ATOM 1058 OE2 GLU A 83 1.369 13.199 -2.977 1.00 0.00 O ATOM 0 H GLU A 83 -2.080 9.811 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.709 11.087 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.319 9.163 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.283 10.268 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.844 11.103 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.877 11.063 -1.753 1.00 0.00 H new ATOM 1065 N LYS A 84 0.097 9.198 -6.730 1.00 0.00 N ATOM 1066 CA LYS A 84 0.363 8.138 -7.665 1.00 0.00 C ATOM 1067 C LYS A 84 1.497 7.256 -7.173 1.00 0.00 C ATOM 1068 O LYS A 84 2.638 7.698 -7.030 1.00 0.00 O ATOM 1069 CB LYS A 84 0.661 8.706 -9.042 1.00 0.00 C ATOM 1070 CG LYS A 84 1.501 7.793 -9.902 1.00 0.00 C ATOM 1071 CD LYS A 84 1.455 8.186 -11.371 1.00 0.00 C ATOM 1072 CE LYS A 84 2.333 9.381 -11.693 1.00 0.00 C ATOM 1073 NZ LYS A 84 1.855 10.640 -11.064 1.00 0.00 N ATOM 0 H LYS A 84 0.461 10.110 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.528 7.515 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.280 8.910 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.175 9.660 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.533 7.816 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.150 6.767 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.769 7.337 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.426 8.413 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.350 9.178 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.373 9.514 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.075 11.444 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.827 10.586 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.328 10.772 -10.147 1.00 0.00 H new ATOM 1087 N PRO A 85 1.169 6.003 -6.875 1.00 0.00 N ATOM 1088 CA PRO A 85 2.139 5.006 -6.444 1.00 0.00 C ATOM 1089 C PRO A 85 3.088 4.608 -7.563 1.00 0.00 C ATOM 1090 O PRO A 85 2.652 4.227 -8.654 1.00 0.00 O ATOM 1091 CB PRO A 85 1.280 3.803 -6.042 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.123 4.298 -5.987 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.191 5.466 -6.922 1.00 0.00 C ATOM 0 HA PRO A 85 2.769 5.385 -5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.380 2.994 -6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.592 3.407 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.823 3.518 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.392 4.595 -4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.470 5.160 -7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.927 6.201 -6.597 1.00 0.00 H new ATOM 1101 N ASP A 86 4.383 4.707 -7.283 1.00 0.00 N ATOM 1102 CA ASP A 86 5.413 4.241 -8.205 1.00 0.00 C ATOM 1103 C ASP A 86 5.240 2.747 -8.439 1.00 0.00 C ATOM 1104 O ASP A 86 5.515 2.234 -9.523 1.00 0.00 O ATOM 1105 CB ASP A 86 6.810 4.511 -7.637 1.00 0.00 C ATOM 1106 CG ASP A 86 7.077 5.977 -7.367 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.610 6.486 -6.324 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.758 6.629 -8.188 1.00 0.00 O ATOM 0 H ASP A 86 4.746 5.109 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 86 5.311 4.780 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.932 3.951 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.557 4.136 -8.337 1.00 0.00 H new ATOM 1113 N VAL A 87 4.787 2.057 -7.396 1.00 0.00 N ATOM 1114 CA VAL A 87 4.447 0.646 -7.485 1.00 0.00 C ATOM 1115 C VAL A 87 3.137 0.369 -6.752 1.00 0.00 C ATOM 1116 O VAL A 87 2.855 0.967 -5.712 1.00 0.00 O ATOM 1117 CB VAL A 87 5.560 -0.271 -6.923 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.756 -0.301 -7.854 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.997 0.152 -5.534 1.00 0.00 C ATOM 0 H VAL A 87 4.647 2.461 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 87 4.336 0.416 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 87 5.138 -1.274 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.525 -0.952 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.449 -0.680 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.155 0.707 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.779 -0.519 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.381 1.171 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.145 0.108 -4.855 1.00 0.00 H new ATOM 1129 N THR A 88 2.329 -0.514 -7.310 1.00 0.00 N ATOM 1130 CA THR A 88 1.043 -0.856 -6.722 1.00 0.00 C ATOM 1131 C THR A 88 0.925 -2.368 -6.563 1.00 0.00 C ATOM 1132 O THR A 88 1.345 -3.118 -7.442 1.00 0.00 O ATOM 1133 CB THR A 88 -0.112 -0.327 -7.596 1.00 0.00 C ATOM 1134 OG1 THR A 88 0.112 1.059 -7.887 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.457 -0.488 -6.894 1.00 0.00 C ATOM 0 H THR A 88 2.541 -1.011 -8.175 1.00 0.00 H new ATOM 0 HA THR A 88 0.978 -0.388 -5.740 1.00 0.00 H new ATOM 0 HB THR A 88 -0.139 -0.907 -8.518 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.619 1.399 -8.444 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.251 -0.106 -7.536 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.635 -1.543 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.448 0.070 -5.958 1.00 0.00 H new ATOM 1143 N PHE A 89 0.378 -2.805 -5.436 1.00 0.00 N ATOM 1144 CA PHE A 89 0.249 -4.227 -5.142 1.00 0.00 C ATOM 1145 C PHE A 89 -1.206 -4.584 -4.889 1.00 0.00 C ATOM 1146 O PHE A 89 -1.833 -4.030 -3.989 1.00 0.00 O ATOM 1147 CB PHE A 89 1.060 -4.607 -3.896 1.00 0.00 C ATOM 1148 CG PHE A 89 2.473 -4.103 -3.894 1.00 0.00 C ATOM 1149 CD1 PHE A 89 2.751 -2.792 -3.544 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.522 -4.937 -4.238 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.045 -2.322 -3.538 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.821 -4.473 -4.233 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.083 -3.163 -3.883 1.00 0.00 C ATOM 0 H PHE A 89 0.015 -2.192 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 89 0.627 -4.775 -6.005 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.549 -4.221 -3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.075 -5.693 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.942 -2.130 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.322 -5.962 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.247 -1.297 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.632 -5.133 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.099 -2.797 -3.879 1.00 0.00 H new ATOM 1163 N THR A 90 -1.745 -5.493 -5.680 1.00 0.00 N ATOM 1164 CA THR A 90 -3.064 -6.030 -5.403 1.00 0.00 C ATOM 1165 C THR A 90 -2.928 -7.310 -4.585 1.00 0.00 C ATOM 1166 O THR A 90 -2.391 -8.311 -5.063 1.00 0.00 O ATOM 1167 CB THR A 90 -3.851 -6.319 -6.693 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.734 -5.209 -7.593 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.321 -6.556 -6.380 1.00 0.00 C ATOM 0 H THR A 90 -1.294 -5.872 -6.513 1.00 0.00 H new ATOM 0 HA THR A 90 -3.620 -5.280 -4.840 1.00 0.00 H new ATOM 0 HB THR A 90 -3.437 -7.215 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.235 -5.399 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.862 -6.759 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.417 -7.409 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.739 -5.670 -5.902 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.388 -7.254 -3.344 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.250 -8.352 -2.401 1.00 0.00 C ATOM 1179 C ILE A 91 -4.558 -8.525 -1.635 1.00 0.00 C ATOM 1180 O ILE A 91 -5.352 -7.598 -1.544 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.101 -8.054 -1.402 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.760 -7.965 -2.128 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.033 -9.111 -0.315 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.337 -7.323 -1.304 1.00 0.00 C ATOM 0 H ILE A 91 -3.870 -6.441 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.018 -9.267 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.312 -7.092 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.446 -8.968 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.892 -7.395 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.219 -8.876 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.975 -9.130 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.857 -10.087 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.259 -7.295 -1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.045 -6.307 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.498 -7.904 -0.396 1.00 0.00 H new ATOM 1196 N SER A 92 -4.789 -9.708 -1.103 1.00 0.00 N ATOM 1197 CA SER A 92 -5.977 -9.960 -0.312 1.00 0.00 C ATOM 1198 C SER A 92 -5.644 -9.905 1.178 1.00 0.00 C ATOM 1199 O SER A 92 -4.564 -10.311 1.605 1.00 0.00 O ATOM 1200 CB SER A 92 -6.551 -11.319 -0.680 1.00 0.00 C ATOM 1201 OG SER A 92 -6.748 -11.421 -2.081 1.00 0.00 O ATOM 0 H SER A 92 -4.169 -10.511 -1.204 1.00 0.00 H new ATOM 0 HA SER A 92 -6.720 -9.191 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.876 -12.106 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.499 -11.470 -0.163 1.00 0.00 H new ATOM 0 HG SER A 92 -7.649 -11.111 -2.308 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.608 -9.392 1.944 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.477 -9.153 3.387 1.00 0.00 C ATOM 1209 C ASP A 93 -5.992 -10.387 4.135 1.00 0.00 C ATOM 1210 O ASP A 93 -5.245 -10.284 5.107 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.838 -8.719 3.945 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.824 -8.451 5.438 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.342 -7.381 5.849 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.323 -9.305 6.206 1.00 0.00 O ATOM 0 H ASP A 93 -7.520 -9.125 1.574 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.732 -8.371 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.164 -7.818 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.573 -9.494 3.730 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.421 -11.551 3.669 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.095 -12.813 4.316 1.00 0.00 C ATOM 1221 C GLU A 94 -4.623 -13.166 4.122 1.00 0.00 C ATOM 1222 O GLU A 94 -3.977 -13.715 5.014 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.968 -13.931 3.742 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.380 -13.487 3.384 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.260 -14.644 2.957 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.983 -15.246 1.897 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.232 -14.956 3.675 1.00 0.00 O ATOM 0 H GLU A 94 -7.002 -11.647 2.836 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.287 -12.706 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.487 -14.333 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.025 -14.743 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.830 -12.990 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.334 -12.753 2.579 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.098 -12.836 2.951 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.740 -13.218 2.587 1.00 0.00 C ATOM 1236 C ASP A 95 -1.739 -12.143 2.990 1.00 0.00 C ATOM 1237 O ASP A 95 -0.541 -12.410 3.098 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.643 -13.474 1.081 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.696 -14.444 0.581 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.449 -15.666 0.599 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.778 -13.985 0.152 1.00 0.00 O ATOM 0 H ASP A 95 -4.592 -12.304 2.235 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.498 -14.135 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.745 -12.528 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.653 -13.866 0.847 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.234 -10.926 3.214 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.375 -9.801 3.574 1.00 0.00 C ATOM 1248 C VAL A 96 -0.566 -10.120 4.825 1.00 0.00 C ATOM 1249 O VAL A 96 0.579 -9.712 4.953 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.190 -8.491 3.799 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.169 -8.052 5.264 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.676 -7.368 2.907 1.00 0.00 C ATOM 0 H VAL A 96 -3.226 -10.695 3.152 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.698 -9.638 2.735 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.223 -8.709 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.748 -7.136 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.604 -8.835 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.140 -7.872 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.262 -6.466 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.629 -7.171 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.769 -7.662 1.862 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.163 -10.890 5.725 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.571 -11.150 7.027 1.00 0.00 C ATOM 1264 C VAL A 97 0.742 -11.917 6.898 1.00 0.00 C ATOM 1265 O VAL A 97 1.619 -11.807 7.753 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.546 -11.915 7.946 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.920 -11.272 7.894 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.629 -13.384 7.568 1.00 0.00 C ATOM 0 H VAL A 97 -2.062 -11.347 5.574 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.360 -10.182 7.481 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.165 -11.860 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.602 -11.818 8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.850 -10.237 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.296 -11.299 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.324 -13.893 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.980 -13.476 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.642 -13.839 7.657 1.00 0.00 H new ATOM 1278 N ASP A 98 0.873 -12.692 5.827 1.00 0.00 N ATOM 1279 CA ASP A 98 2.099 -13.422 5.570 1.00 0.00 C ATOM 1280 C ASP A 98 3.068 -12.535 4.807 1.00 0.00 C ATOM 1281 O ASP A 98 4.278 -12.667 4.935 1.00 0.00 O ATOM 1282 CB ASP A 98 1.832 -14.695 4.763 1.00 0.00 C ATOM 1283 CG ASP A 98 0.824 -15.623 5.407 1.00 0.00 C ATOM 1284 OD1 ASP A 98 -0.385 -15.471 5.145 1.00 0.00 O ATOM 1285 OD2 ASP A 98 1.239 -16.535 6.153 1.00 0.00 O ATOM 0 H ASP A 98 0.144 -12.828 5.127 1.00 0.00 H new ATOM 0 HA ASP A 98 2.529 -13.710 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.476 -14.418 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.771 -15.231 4.626 1.00 0.00 H new ATOM 1290 N LEU A 99 2.525 -11.621 4.021 1.00 0.00 N ATOM 1291 CA LEU A 99 3.346 -10.725 3.214 1.00 0.00 C ATOM 1292 C LEU A 99 3.965 -9.629 4.076 1.00 0.00 C ATOM 1293 O LEU A 99 5.127 -9.275 3.899 1.00 0.00 O ATOM 1294 CB LEU A 99 2.511 -10.121 2.083 1.00 0.00 C ATOM 1295 CG LEU A 99 2.094 -11.115 0.995 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.063 -10.505 0.064 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.304 -11.572 0.200 1.00 0.00 C ATOM 0 H LEU A 99 1.520 -11.477 3.922 1.00 0.00 H new ATOM 0 HA LEU A 99 4.160 -11.303 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.614 -9.674 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.080 -9.314 1.621 1.00 0.00 H new ATOM 0 HG LEU A 99 1.645 -11.978 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.785 -11.233 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.179 -10.223 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.483 -9.621 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.989 -12.278 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.777 -10.710 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.016 -12.057 0.868 1.00 0.00 H new ATOM 1309 N ILE A 100 3.187 -9.112 5.021 1.00 0.00 N ATOM 1310 CA ILE A 100 3.673 -8.089 5.940 1.00 0.00 C ATOM 1311 C ILE A 100 4.739 -8.672 6.871 1.00 0.00 C ATOM 1312 O ILE A 100 5.713 -8.006 7.224 1.00 0.00 O ATOM 1313 CB ILE A 100 2.534 -7.511 6.814 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.335 -7.064 5.968 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.065 -6.355 7.658 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.398 -5.635 5.500 1.00 0.00 C ATOM 0 H ILE A 100 2.216 -9.385 5.171 1.00 0.00 H new ATOM 0 HA ILE A 100 4.093 -7.290 5.328 1.00 0.00 H new ATOM 0 HB ILE A 100 2.180 -8.302 7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.258 -7.715 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.424 -7.202 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.259 -5.952 8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.867 -6.714 8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.449 -5.573 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.511 -5.406 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.441 -4.971 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.288 -5.492 4.887 1.00 0.00 H new ATOM 1328 N SER A 101 4.545 -9.927 7.258 1.00 0.00 N ATOM 1329 CA SER A 101 5.433 -10.588 8.205 1.00 0.00 C ATOM 1330 C SER A 101 6.707 -11.084 7.520 1.00 0.00 C ATOM 1331 O SER A 101 7.732 -11.300 8.170 1.00 0.00 O ATOM 1332 CB SER A 101 4.700 -11.759 8.863 1.00 0.00 C ATOM 1333 OG SER A 101 4.154 -12.622 7.883 1.00 0.00 O ATOM 0 H SER A 101 3.776 -10.510 6.928 1.00 0.00 H new ATOM 0 HA SER A 101 5.724 -9.864 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.389 -12.314 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.905 -11.382 9.506 1.00 0.00 H new ATOM 0 HG SER A 101 3.179 -12.654 7.982 1.00 0.00 H new ATOM 1339 N GLY A 102 6.634 -11.257 6.207 1.00 0.00 N ATOM 1340 CA GLY A 102 7.762 -11.780 5.463 1.00 0.00 C ATOM 1341 C GLY A 102 7.699 -13.287 5.341 1.00 0.00 C ATOM 1342 O GLY A 102 8.665 -13.935 4.933 1.00 0.00 O ATOM 0 H GLY A 102 5.811 -11.044 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.781 -11.334 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.690 -11.493 5.958 1.00 0.00 H new ATOM 1346 N LYS A 103 6.551 -13.843 5.706 1.00 0.00 N ATOM 1347 CA LYS A 103 6.328 -15.280 5.652 1.00 0.00 C ATOM 1348 C LYS A 103 5.997 -15.725 4.241 1.00 0.00 C ATOM 1349 O LYS A 103 6.509 -16.735 3.757 1.00 0.00 O ATOM 1350 CB LYS A 103 5.179 -15.655 6.583 1.00 0.00 C ATOM 1351 CG LYS A 103 5.564 -15.673 8.052 1.00 0.00 C ATOM 1352 CD LYS A 103 4.368 -15.963 8.941 1.00 0.00 C ATOM 1353 CE LYS A 103 4.781 -16.122 10.395 1.00 0.00 C ATOM 1354 NZ LYS A 103 5.760 -17.228 10.573 1.00 0.00 N ATOM 0 H LYS A 103 5.750 -13.311 6.047 1.00 0.00 H new ATOM 0 HA LYS A 103 7.243 -15.781 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.362 -14.948 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.803 -16.639 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.333 -16.428 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.997 -14.711 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.644 -15.153 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.872 -16.872 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.217 -15.189 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.898 -16.316 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.763 -17.532 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.492 -18.030 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.710 -16.897 10.309 1.00 0.00 H new ATOM 1368 N LEU A 104 5.159 -14.960 3.576 1.00 0.00 N ATOM 1369 CA LEU A 104 4.789 -15.262 2.213 1.00 0.00 C ATOM 1370 C LEU A 104 5.644 -14.444 1.261 1.00 0.00 C ATOM 1371 O LEU A 104 5.664 -13.218 1.327 1.00 0.00 O ATOM 1372 CB LEU A 104 3.300 -14.984 2.010 1.00 0.00 C ATOM 1373 CG LEU A 104 2.766 -15.139 0.583 1.00 0.00 C ATOM 1374 CD1 LEU A 104 3.056 -16.528 0.040 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.269 -14.856 0.541 1.00 0.00 C ATOM 0 H LEU A 104 4.721 -14.123 3.959 1.00 0.00 H new ATOM 0 HA LEU A 104 4.965 -16.317 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.736 -15.653 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.094 -13.967 2.343 1.00 0.00 H new ATOM 0 HG LEU A 104 3.278 -14.414 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.666 -16.611 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.133 -16.697 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.577 -17.274 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.906 -14.971 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.748 -15.557 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.082 -13.837 0.881 1.00 0.00 H new ATOM 1387 N ASN A 105 6.380 -15.140 0.414 1.00 0.00 N ATOM 1388 CA ASN A 105 7.227 -14.498 -0.577 1.00 0.00 C ATOM 1389 C ASN A 105 6.364 -13.827 -1.634 1.00 0.00 C ATOM 1390 O ASN A 105 5.605 -14.497 -2.340 1.00 0.00 O ATOM 1391 CB ASN A 105 8.154 -15.530 -1.235 1.00 0.00 C ATOM 1392 CG ASN A 105 9.220 -16.053 -0.290 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.021 -17.056 0.398 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.360 -15.386 -0.253 1.00 0.00 N ATOM 0 H ASN A 105 6.409 -16.159 0.392 1.00 0.00 H new ATOM 0 HA ASN A 105 7.839 -13.744 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.558 -16.366 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.635 -15.078 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.113 -15.697 0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.487 -14.560 -0.838 1.00 0.00 H new ATOM 1401 N PRO A 106 6.454 -12.493 -1.761 1.00 0.00 N ATOM 1402 CA PRO A 106 5.674 -11.757 -2.746 1.00 0.00 C ATOM 1403 C PRO A 106 6.035 -12.192 -4.156 1.00 0.00 C ATOM 1404 O PRO A 106 5.249 -12.040 -5.087 1.00 0.00 O ATOM 1405 CB PRO A 106 6.023 -10.283 -2.526 1.00 0.00 C ATOM 1406 CG PRO A 106 6.887 -10.219 -1.309 1.00 0.00 C ATOM 1407 CD PRO A 106 7.323 -11.619 -0.960 1.00 0.00 C ATOM 0 HA PRO A 106 4.606 -11.940 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.545 -9.876 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.120 -9.688 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.755 -9.586 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.339 -9.774 -0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.374 -11.778 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.207 -11.815 0.106 1.00 0.00 H new ATOM 1415 N GLN A 107 7.234 -12.744 -4.292 1.00 0.00 N ATOM 1416 CA GLN A 107 7.681 -13.332 -5.536 1.00 0.00 C ATOM 1417 C GLN A 107 6.802 -14.506 -5.936 1.00 0.00 C ATOM 1418 O GLN A 107 6.236 -14.525 -7.032 1.00 0.00 O ATOM 1419 CB GLN A 107 9.113 -13.811 -5.398 1.00 0.00 C ATOM 1420 CG GLN A 107 10.137 -12.688 -5.435 1.00 0.00 C ATOM 1421 CD GLN A 107 11.558 -13.193 -5.303 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.813 -14.201 -4.649 1.00 0.00 O ATOM 1423 NE2 GLN A 107 12.494 -12.496 -5.927 1.00 0.00 N ATOM 0 H GLN A 107 7.920 -12.794 -3.539 1.00 0.00 H new ATOM 0 HA GLN A 107 7.617 -12.566 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.216 -14.355 -4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.330 -14.516 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.036 -12.139 -6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.929 -11.984 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.240 -11.664 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.469 -12.791 -5.875 1.00 0.00 H new ATOM 1432 N LYS A 108 6.684 -15.482 -5.046 1.00 0.00 N ATOM 1433 CA LYS A 108 5.906 -16.673 -5.337 1.00 0.00 C ATOM 1434 C LYS A 108 4.436 -16.314 -5.449 1.00 0.00 C ATOM 1435 O LYS A 108 3.709 -16.883 -6.253 1.00 0.00 O ATOM 1436 CB LYS A 108 6.120 -17.750 -4.264 1.00 0.00 C ATOM 1437 CG LYS A 108 5.364 -17.510 -2.962 1.00 0.00 C ATOM 1438 CD LYS A 108 4.562 -18.731 -2.534 1.00 0.00 C ATOM 1439 CE LYS A 108 3.199 -18.780 -3.208 1.00 0.00 C ATOM 1440 NZ LYS A 108 2.462 -20.024 -2.866 1.00 0.00 N ATOM 0 H LYS A 108 7.116 -15.471 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 108 6.245 -17.083 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.818 -18.715 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.185 -17.817 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.071 -17.247 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.693 -16.660 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.120 -19.635 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.432 -18.718 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.611 -17.914 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.325 -18.717 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.538 -20.022 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.011 -20.850 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.320 -20.072 -1.837 1.00 0.00 H new ATOM 1454 N ALA A 109 4.011 -15.341 -4.658 1.00 0.00 N ATOM 1455 CA ALA A 109 2.626 -14.901 -4.687 1.00 0.00 C ATOM 1456 C ALA A 109 2.336 -14.182 -5.995 1.00 0.00 C ATOM 1457 O ALA A 109 1.223 -14.241 -6.515 1.00 0.00 O ATOM 1458 CB ALA A 109 2.318 -14.008 -3.500 1.00 0.00 C ATOM 0 H ALA A 109 4.602 -14.844 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 109 1.981 -15.777 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.276 -13.691 -3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.492 -14.559 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.965 -13.131 -3.527 1.00 0.00 H new ATOM 1464 N PHE A 110 3.350 -13.509 -6.522 1.00 0.00 N ATOM 1465 CA PHE A 110 3.252 -12.863 -7.820 1.00 0.00 C ATOM 1466 C PHE A 110 2.995 -13.914 -8.892 1.00 0.00 C ATOM 1467 O PHE A 110 2.061 -13.803 -9.686 1.00 0.00 O ATOM 1468 CB PHE A 110 4.552 -12.108 -8.133 1.00 0.00 C ATOM 1469 CG PHE A 110 4.541 -11.338 -9.428 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.827 -11.963 -10.633 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.259 -9.984 -9.434 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.829 -11.248 -11.816 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.259 -9.264 -10.612 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.544 -9.897 -11.805 1.00 0.00 C ATOM 0 H PHE A 110 4.255 -13.397 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 110 2.427 -12.151 -7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.759 -11.416 -7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.374 -12.824 -8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.050 -13.020 -10.647 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.036 -9.483 -8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.053 -11.746 -12.748 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.036 -8.207 -10.600 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.544 -9.337 -12.728 1.00 0.00 H new ATOM 1484 N PHE A 111 3.829 -14.948 -8.880 1.00 0.00 N ATOM 1485 CA PHE A 111 3.756 -16.028 -9.854 1.00 0.00 C ATOM 1486 C PHE A 111 2.442 -16.793 -9.722 1.00 0.00 C ATOM 1487 O PHE A 111 1.824 -17.168 -10.718 1.00 0.00 O ATOM 1488 CB PHE A 111 4.942 -16.979 -9.652 1.00 0.00 C ATOM 1489 CG PHE A 111 5.077 -18.033 -10.716 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.699 -17.742 -11.919 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.583 -19.312 -10.512 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.827 -18.708 -12.899 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.708 -20.280 -11.490 1.00 0.00 C ATOM 1494 CZ PHE A 111 5.330 -19.978 -12.684 1.00 0.00 C ATOM 0 H PHE A 111 4.575 -15.060 -8.194 1.00 0.00 H new ATOM 0 HA PHE A 111 3.798 -15.599 -10.855 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.861 -16.393 -9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.840 -17.468 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.088 -16.750 -12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.096 -19.554 -9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.315 -18.470 -13.832 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.319 -21.273 -11.320 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.428 -20.734 -13.449 1.00 0.00 H new ATOM 1504 N GLN A 112 2.015 -17.006 -8.483 1.00 0.00 N ATOM 1505 CA GLN A 112 0.805 -17.762 -8.200 1.00 0.00 C ATOM 1506 C GLN A 112 -0.461 -16.942 -8.463 1.00 0.00 C ATOM 1507 O GLN A 112 -1.568 -17.473 -8.424 1.00 0.00 O ATOM 1508 CB GLN A 112 0.850 -18.260 -6.754 1.00 0.00 C ATOM 1509 CG GLN A 112 1.930 -19.304 -6.521 1.00 0.00 C ATOM 1510 CD GLN A 112 1.730 -20.547 -7.366 1.00 0.00 C ATOM 1511 OE1 GLN A 112 2.223 -20.636 -8.490 1.00 0.00 O ATOM 1512 NE2 GLN A 112 1.008 -21.516 -6.831 1.00 0.00 N ATOM 0 H GLN A 112 2.496 -16.661 -7.652 1.00 0.00 H new ATOM 0 HA GLN A 112 0.765 -18.615 -8.877 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.020 -17.414 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.120 -18.682 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.904 -18.870 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.940 -19.583 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.616 -21.403 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.842 -22.376 -7.353 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.297 -15.651 -8.729 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.428 -14.825 -9.121 1.00 0.00 C ATOM 1523 C GLY A 113 -2.056 -14.076 -7.961 1.00 0.00 C ATOM 1524 O GLY A 113 -2.987 -13.293 -8.153 1.00 0.00 O ATOM 0 H GLY A 113 0.596 -15.161 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.101 -14.107 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.184 -15.455 -9.589 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.563 -14.331 -6.758 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.028 -13.650 -5.565 1.00 0.00 C ATOM 1530 C LYS A 114 -1.662 -12.174 -5.599 1.00 0.00 C ATOM 1531 O LYS A 114 -2.442 -11.317 -5.191 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.391 -14.293 -4.339 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.383 -14.616 -3.247 1.00 0.00 C ATOM 1534 CD LYS A 114 -2.742 -13.388 -2.426 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.098 -12.818 -2.809 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.197 -13.798 -2.590 1.00 0.00 N ATOM 0 H LYS A 114 -0.829 -15.017 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.114 -13.737 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.883 -15.209 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.629 -13.623 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.287 -15.034 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.966 -15.381 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.745 -13.649 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.977 -12.624 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.292 -11.919 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.083 -12.519 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.105 -13.294 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.225 -14.471 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.030 -14.314 -1.703 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.465 -11.897 -6.084 1.00 0.00 N ATOM 1551 CA ILE A 115 0.080 -10.556 -6.068 1.00 0.00 C ATOM 1552 C ILE A 115 0.098 -9.948 -7.468 1.00 0.00 C ATOM 1553 O ILE A 115 0.513 -10.589 -8.441 1.00 0.00 O ATOM 1554 CB ILE A 115 1.501 -10.567 -5.448 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.487 -9.949 -4.062 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.487 -9.808 -6.301 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.634 -10.400 -3.202 1.00 0.00 C ATOM 0 H ILE A 115 0.153 -12.595 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.565 -9.931 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 115 1.811 -11.610 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.516 -8.863 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.549 -10.202 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.471 -9.838 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.540 -10.265 -7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.163 -8.772 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.566 -9.922 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.594 -11.482 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.575 -10.123 -3.676 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.390 -8.721 -7.563 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.321 -7.959 -8.799 1.00 0.00 C ATOM 1571 C LYS A 116 0.454 -6.669 -8.546 1.00 0.00 C ATOM 1572 O LYS A 116 -0.094 -5.716 -7.997 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.727 -7.617 -9.302 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.698 -8.790 -9.324 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.279 -9.855 -10.319 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.333 -10.944 -10.443 1.00 0.00 C ATOM 1577 NZ LYS A 116 -4.623 -10.409 -10.955 1.00 0.00 N ATOM 0 H LYS A 116 -0.841 -8.229 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 116 0.183 -8.559 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.142 -6.831 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.648 -7.209 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.760 -9.228 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.696 -8.430 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.110 -9.398 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.333 -10.296 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.972 -11.725 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.493 -11.408 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.200 -11.190 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.135 -9.939 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.437 -9.723 -11.714 1.00 0.00 H new ATOM 1591 N ILE A 117 1.729 -6.649 -8.908 1.00 0.00 N ATOM 1592 CA ILE A 117 2.564 -5.484 -8.685 1.00 0.00 C ATOM 1593 C ILE A 117 3.260 -5.040 -9.968 1.00 0.00 C ATOM 1594 O ILE A 117 3.859 -5.850 -10.678 1.00 0.00 O ATOM 1595 CB ILE A 117 3.610 -5.765 -7.574 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.872 -4.933 -7.751 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.980 -7.230 -7.536 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.706 -3.468 -7.421 1.00 0.00 C ATOM 0 H ILE A 117 2.206 -7.430 -9.358 1.00 0.00 H new ATOM 0 HA ILE A 117 1.914 -4.672 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 117 3.143 -5.483 -6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.658 -5.348 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.211 -5.024 -8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.714 -7.399 -6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.089 -7.825 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.404 -7.523 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.653 -2.951 -7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.946 -3.033 -8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.399 -3.362 -6.380 1.00 0.00 H new ATOM 1610 N GLN A 118 3.160 -3.750 -10.262 1.00 0.00 N ATOM 1611 CA GLN A 118 3.883 -3.159 -11.372 1.00 0.00 C ATOM 1612 C GLN A 118 5.305 -2.847 -10.922 1.00 0.00 C ATOM 1613 O GLN A 118 5.545 -1.845 -10.251 1.00 0.00 O ATOM 1614 CB GLN A 118 3.183 -1.886 -11.852 1.00 0.00 C ATOM 1615 CG GLN A 118 3.956 -1.140 -12.929 1.00 0.00 C ATOM 1616 CD GLN A 118 3.304 0.169 -13.317 1.00 0.00 C ATOM 1617 OE1 GLN A 118 2.082 0.310 -13.279 1.00 0.00 O ATOM 1618 NE2 GLN A 118 4.119 1.139 -13.690 1.00 0.00 N ATOM 0 H GLN A 118 2.580 -3.092 -9.741 1.00 0.00 H new ATOM 0 HA GLN A 118 3.908 -3.861 -12.205 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.197 -2.146 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.028 -1.223 -11.001 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.968 -0.946 -12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.043 -1.773 -13.812 1.00 0.00 H new ATOM 0 HE21 GLN A 118 5.126 0.980 -13.707 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.741 2.047 -13.961 1.00 0.00 H new ATOM 1627 N GLY A 119 6.233 -3.723 -11.269 1.00 0.00 N ATOM 1628 CA GLY A 119 7.584 -3.613 -10.760 1.00 0.00 C ATOM 1629 C GLY A 119 8.371 -2.474 -11.375 1.00 0.00 C ATOM 1630 O GLY A 119 8.826 -2.571 -12.517 1.00 0.00 O ATOM 0 H GLY A 119 6.075 -4.512 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.547 -3.476 -9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.111 -4.549 -10.945 1.00 0.00 H new ATOM 1634 N ASN A 120 8.518 -1.385 -10.627 1.00 0.00 N ATOM 1635 CA ASN A 120 9.408 -0.303 -11.029 1.00 0.00 C ATOM 1636 C ASN A 120 10.845 -0.797 -10.952 1.00 0.00 C ATOM 1637 O ASN A 120 11.289 -1.251 -9.897 1.00 0.00 O ATOM 1638 CB ASN A 120 9.233 0.935 -10.135 1.00 0.00 C ATOM 1639 CG ASN A 120 10.145 2.074 -10.550 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.290 2.156 -10.105 1.00 0.00 O ATOM 1641 ND2 ASN A 120 9.645 2.964 -11.392 1.00 0.00 N ATOM 0 H ASN A 120 8.034 -1.229 -9.743 1.00 0.00 H new ATOM 0 HA ASN A 120 9.161 -0.009 -12.049 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.196 1.268 -10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.439 0.665 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.214 3.755 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.691 2.859 -11.737 1.00 0.00 H new ATOM 1648 N MET A 121 11.553 -0.700 -12.077 1.00 0.00 N ATOM 1649 CA MET A 121 12.889 -1.285 -12.228 1.00 0.00 C ATOM 1650 C MET A 121 13.857 -0.823 -11.146 1.00 0.00 C ATOM 1651 O MET A 121 14.792 -1.540 -10.805 1.00 0.00 O ATOM 1652 CB MET A 121 13.472 -0.957 -13.605 1.00 0.00 C ATOM 1653 CG MET A 121 12.787 -1.672 -14.757 1.00 0.00 C ATOM 1654 SD MET A 121 13.518 -1.256 -16.353 1.00 0.00 S ATOM 1655 CE MET A 121 12.547 -2.287 -17.449 1.00 0.00 C ATOM 0 H MET A 121 11.219 -0.215 -12.910 1.00 0.00 H new ATOM 0 HA MET A 121 12.765 -2.363 -12.126 1.00 0.00 H new ATOM 0 HB2 MET A 121 13.406 0.119 -13.769 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.531 -1.215 -13.610 1.00 0.00 H new ATOM 0 HG2 MET A 121 12.849 -2.749 -14.601 1.00 0.00 H new ATOM 0 HG3 MET A 121 11.729 -1.411 -14.766 1.00 0.00 H new ATOM 0 HE1 MET A 121 12.881 -2.141 -18.476 1.00 0.00 H new ATOM 0 HE2 MET A 121 12.673 -3.333 -17.171 1.00 0.00 H new ATOM 0 HE3 MET A 121 11.495 -2.015 -17.367 1.00 0.00 H new ATOM 1665 N GLY A 122 13.661 0.380 -10.637 1.00 0.00 N ATOM 1666 CA GLY A 122 14.503 0.864 -9.569 1.00 0.00 C ATOM 1667 C GLY A 122 13.929 0.563 -8.205 1.00 0.00 C ATOM 1668 O GLY A 122 14.604 0.003 -7.340 1.00 0.00 O ATOM 0 H GLY A 122 12.936 1.029 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 122 15.490 0.410 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.637 1.941 -9.675 1.00 0.00 H new ATOM 1672 N LEU A 123 12.669 0.932 -8.032 1.00 0.00 N ATOM 1673 CA LEU A 123 12.005 0.882 -6.737 1.00 0.00 C ATOM 1674 C LEU A 123 11.782 -0.543 -6.260 1.00 0.00 C ATOM 1675 O LEU A 123 12.376 -0.986 -5.279 1.00 0.00 O ATOM 1676 CB LEU A 123 10.653 1.571 -6.830 1.00 0.00 C ATOM 1677 CG LEU A 123 10.266 2.383 -5.606 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.840 3.776 -5.735 1.00 0.00 C ATOM 1679 CD2 LEU A 123 8.758 2.423 -5.445 1.00 0.00 C ATOM 0 H LEU A 123 12.076 1.276 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 123 12.656 1.387 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.655 2.229 -7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.887 0.815 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 123 10.676 1.913 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.566 4.365 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.926 3.717 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.442 4.252 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.502 3.009 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.310 2.880 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.377 1.408 -5.329 1.00 0.00 H new ATOM 1691 N ALA A 124 10.920 -1.258 -6.968 1.00 0.00 N ATOM 1692 CA ALA A 124 10.496 -2.586 -6.551 1.00 0.00 C ATOM 1693 C ALA A 124 11.663 -3.556 -6.558 1.00 0.00 C ATOM 1694 O ALA A 124 11.658 -4.550 -5.837 1.00 0.00 O ATOM 1695 CB ALA A 124 9.385 -3.087 -7.455 1.00 0.00 C ATOM 0 H ALA A 124 10.498 -0.938 -7.840 1.00 0.00 H new ATOM 0 HA ALA A 124 10.118 -2.521 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.075 -4.082 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.535 -2.407 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.745 -3.133 -8.483 1.00 0.00 H new ATOM 1701 N MET A 125 12.669 -3.261 -7.364 1.00 0.00 N ATOM 1702 CA MET A 125 13.852 -4.092 -7.422 1.00 0.00 C ATOM 1703 C MET A 125 14.677 -3.945 -6.150 1.00 0.00 C ATOM 1704 O MET A 125 15.335 -4.887 -5.717 1.00 0.00 O ATOM 1705 CB MET A 125 14.661 -3.761 -8.660 1.00 0.00 C ATOM 1706 CG MET A 125 14.117 -4.441 -9.906 1.00 0.00 C ATOM 1707 SD MET A 125 12.351 -4.168 -10.169 1.00 0.00 S ATOM 1708 CE MET A 125 12.103 -5.025 -11.720 1.00 0.00 C ATOM 0 H MET A 125 12.687 -2.452 -7.985 1.00 0.00 H new ATOM 0 HA MET A 125 13.549 -5.137 -7.490 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.665 -2.681 -8.811 1.00 0.00 H new ATOM 0 HB3 MET A 125 15.696 -4.065 -8.506 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.665 -4.079 -10.776 1.00 0.00 H new ATOM 0 HG3 MET A 125 14.304 -5.513 -9.835 1.00 0.00 H new ATOM 0 HE1 MET A 125 11.096 -4.828 -12.088 1.00 0.00 H new ATOM 0 HE2 MET A 125 12.831 -4.673 -12.451 1.00 0.00 H new ATOM 0 HE3 MET A 125 12.231 -6.097 -11.568 1.00 0.00 H new ATOM 1718 N LYS A 126 14.630 -2.762 -5.547 1.00 0.00 N ATOM 1719 CA LYS A 126 15.195 -2.566 -4.217 1.00 0.00 C ATOM 1720 C LYS A 126 14.323 -3.276 -3.192 1.00 0.00 C ATOM 1721 O LYS A 126 14.808 -4.011 -2.337 1.00 0.00 O ATOM 1722 CB LYS A 126 15.266 -1.081 -3.865 1.00 0.00 C ATOM 1723 CG LYS A 126 16.300 -0.283 -4.630 1.00 0.00 C ATOM 1724 CD LYS A 126 17.329 -1.171 -5.280 1.00 0.00 C ATOM 1725 CE LYS A 126 18.361 -0.358 -6.045 1.00 0.00 C ATOM 1726 NZ LYS A 126 17.733 0.486 -7.097 1.00 0.00 N ATOM 0 H LYS A 126 14.209 -1.928 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 126 16.205 -2.976 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 126 14.286 -0.636 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.474 -0.987 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.804 0.316 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 126 16.796 0.412 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 126 17.828 -1.770 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 126 16.835 -1.866 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.911 0.277 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 126 19.086 -1.031 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.308 0.447 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.777 0.132 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.674 1.469 -6.764 1.00 0.00 H new ATOM 1740 N LEU A 127 13.019 -3.069 -3.332 1.00 0.00 N ATOM 1741 CA LEU A 127 12.028 -3.586 -2.407 1.00 0.00 C ATOM 1742 C LEU A 127 12.085 -5.116 -2.328 1.00 0.00 C ATOM 1743 O LEU A 127 12.031 -5.693 -1.241 1.00 0.00 O ATOM 1744 CB LEU A 127 10.644 -3.079 -2.860 1.00 0.00 C ATOM 1745 CG LEU A 127 9.584 -4.146 -3.120 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.987 -4.627 -1.818 1.00 0.00 C ATOM 1747 CD2 LEU A 127 8.488 -3.627 -4.032 1.00 0.00 C ATOM 0 H LEU A 127 12.620 -2.531 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 127 12.231 -3.227 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.264 -2.397 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.775 -2.497 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 127 10.073 -4.982 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.233 -5.387 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 127 9.772 -5.053 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.524 -3.788 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.750 -4.412 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.006 -2.767 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.920 -3.329 -4.987 1.00 0.00 H new ATOM 1759 N THR A 128 12.213 -5.768 -3.475 1.00 0.00 N ATOM 1760 CA THR A 128 12.242 -7.221 -3.524 1.00 0.00 C ATOM 1761 C THR A 128 13.602 -7.752 -3.072 1.00 0.00 C ATOM 1762 O THR A 128 13.723 -8.890 -2.627 1.00 0.00 O ATOM 1763 CB THR A 128 11.911 -7.740 -4.942 1.00 0.00 C ATOM 1764 OG1 THR A 128 11.615 -9.143 -4.906 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.061 -7.492 -5.908 1.00 0.00 C ATOM 0 H THR A 128 12.298 -5.313 -4.384 1.00 0.00 H new ATOM 0 HA THR A 128 11.478 -7.589 -2.839 1.00 0.00 H new ATOM 0 HB THR A 128 11.038 -7.191 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.406 -9.457 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 128 12.795 -7.869 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 128 13.260 -6.422 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 128 13.953 -8.007 -5.552 1.00 0.00 H new ATOM 1773 N ASP A 129 14.617 -6.910 -3.160 1.00 0.00 N ATOM 1774 CA ASP A 129 15.975 -7.301 -2.791 1.00 0.00 C ATOM 1775 C ASP A 129 16.124 -7.357 -1.276 1.00 0.00 C ATOM 1776 O ASP A 129 16.968 -8.075 -0.741 1.00 0.00 O ATOM 1777 CB ASP A 129 16.978 -6.315 -3.376 1.00 0.00 C ATOM 1778 CG ASP A 129 18.409 -6.799 -3.264 1.00 0.00 C ATOM 1779 OD1 ASP A 129 18.757 -7.801 -3.929 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.192 -6.178 -2.517 1.00 0.00 O ATOM 0 H ASP A 129 14.530 -5.947 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 129 16.171 -8.294 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.739 -6.140 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.882 -5.358 -2.863 1.00 0.00 H new ATOM 1785 N LEU A 130 15.287 -6.588 -0.600 1.00 0.00 N ATOM 1786 CA LEU A 130 15.258 -6.542 0.865 1.00 0.00 C ATOM 1787 C LEU A 130 14.805 -7.871 1.483 1.00 0.00 C ATOM 1788 O LEU A 130 14.950 -8.079 2.691 1.00 0.00 O ATOM 1789 CB LEU A 130 14.345 -5.410 1.350 1.00 0.00 C ATOM 1790 CG LEU A 130 15.048 -4.094 1.713 1.00 0.00 C ATOM 1791 CD1 LEU A 130 15.971 -4.288 2.906 1.00 0.00 C ATOM 1792 CD2 LEU A 130 15.827 -3.545 0.529 1.00 0.00 C ATOM 0 H LEU A 130 14.605 -5.975 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 130 16.280 -6.355 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 130 13.609 -5.204 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 130 13.797 -5.760 2.224 1.00 0.00 H new ATOM 0 HG LEU A 130 14.279 -3.370 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.459 -3.343 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 130 15.390 -4.625 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 130 16.727 -5.035 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.314 -2.613 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.581 -4.270 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.145 -3.358 -0.300 1.00 0.00 H new ATOM 1804 N GLN A 131 14.250 -8.761 0.663 1.00 0.00 N ATOM 1805 CA GLN A 131 13.683 -10.020 1.157 1.00 0.00 C ATOM 1806 C GLN A 131 14.728 -10.892 1.860 1.00 0.00 C ATOM 1807 O GLN A 131 14.371 -11.784 2.632 1.00 0.00 O ATOM 1808 CB GLN A 131 13.052 -10.815 0.014 1.00 0.00 C ATOM 1809 CG GLN A 131 14.069 -11.434 -0.929 1.00 0.00 C ATOM 1810 CD GLN A 131 13.430 -12.200 -2.067 1.00 0.00 C ATOM 1811 OE1 GLN A 131 13.193 -11.520 -3.172 1.00 0.00 O flip ATOM 1812 NE2 GLN A 131 13.152 -13.393 -1.953 1.00 0.00 N flip ATOM 0 H GLN A 131 14.179 -8.636 -0.347 1.00 0.00 H new ATOM 0 HA GLN A 131 12.919 -9.751 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 131 12.429 -11.605 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 131 12.394 -10.158 -0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.703 -10.647 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.718 -12.105 -0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 131 13.352 -13.882 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.722 -13.893 -2.731 1.00 0.00 H new ATOM 1821 N ARG A 132 16.010 -10.636 1.595 1.00 0.00 N ATOM 1822 CA ARG A 132 17.087 -11.432 2.184 1.00 0.00 C ATOM 1823 C ARG A 132 17.052 -11.323 3.702 1.00 0.00 C ATOM 1824 O ARG A 132 16.874 -12.319 4.407 1.00 0.00 O ATOM 1825 CB ARG A 132 18.457 -10.963 1.694 1.00 0.00 C ATOM 1826 CG ARG A 132 18.548 -10.722 0.204 1.00 0.00 C ATOM 1827 CD ARG A 132 19.950 -10.296 -0.187 1.00 0.00 C ATOM 1828 NE ARG A 132 20.011 -9.720 -1.525 1.00 0.00 N ATOM 1829 CZ ARG A 132 21.145 -9.543 -2.200 1.00 0.00 C ATOM 1830 NH1 ARG A 132 22.296 -9.978 -1.699 1.00 0.00 N ATOM 1831 NH2 ARG A 132 21.124 -8.930 -3.372 1.00 0.00 N ATOM 0 H ARG A 132 16.327 -9.887 0.979 1.00 0.00 H new ATOM 0 HA ARG A 132 16.933 -12.466 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 132 18.717 -10.041 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 132 19.202 -11.708 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 132 18.276 -11.630 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.834 -9.952 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 132 20.318 -9.567 0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 132 20.615 -11.158 -0.137 1.00 0.00 H new ATOM 0 HE ARG A 132 19.137 -9.437 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 132 22.313 -10.449 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 132 23.163 -9.841 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 132 20.241 -8.594 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.991 -8.793 -3.891 1.00 0.00 H new ATOM 1845 N GLN A 133 17.206 -10.100 4.199 1.00 0.00 N ATOM 1846 CA GLN A 133 17.220 -9.860 5.634 1.00 0.00 C ATOM 1847 C GLN A 133 15.814 -9.954 6.209 1.00 0.00 C ATOM 1848 O GLN A 133 15.641 -10.174 7.406 1.00 0.00 O ATOM 1849 CB GLN A 133 17.842 -8.501 5.955 1.00 0.00 C ATOM 1850 CG GLN A 133 17.090 -7.328 5.361 1.00 0.00 C ATOM 1851 CD GLN A 133 17.697 -5.998 5.752 1.00 0.00 C ATOM 1852 OE1 GLN A 133 18.583 -5.485 5.072 1.00 0.00 O ATOM 1853 NE2 GLN A 133 17.230 -5.431 6.851 1.00 0.00 N ATOM 0 H GLN A 133 17.323 -9.262 3.629 1.00 0.00 H new ATOM 0 HA GLN A 133 17.834 -10.632 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.889 -8.380 7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.868 -8.486 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 133 17.083 -7.416 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 133 16.051 -7.361 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 133 16.494 -5.889 7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 133 17.606 -4.535 7.162 1.00 0.00 H new ATOM 1862 N ALA A 134 14.812 -9.803 5.348 1.00 0.00 N ATOM 1863 CA ALA A 134 13.424 -9.974 5.759 1.00 0.00 C ATOM 1864 C ALA A 134 13.168 -11.419 6.168 1.00 0.00 C ATOM 1865 O ALA A 134 12.361 -11.697 7.053 1.00 0.00 O ATOM 1866 CB ALA A 134 12.480 -9.559 4.641 1.00 0.00 C ATOM 0 H ALA A 134 14.935 -9.563 4.364 1.00 0.00 H new ATOM 0 HA ALA A 134 13.236 -9.332 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 134 11.449 -9.694 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 134 12.648 -8.511 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 134 12.666 -10.174 3.761 1.00 0.00 H new ATOM 1872 N ALA A 135 13.870 -12.339 5.513 1.00 0.00 N ATOM 1873 CA ALA A 135 13.792 -13.750 5.858 1.00 0.00 C ATOM 1874 C ALA A 135 14.892 -14.119 6.846 1.00 0.00 C ATOM 1875 O ALA A 135 14.916 -15.224 7.388 1.00 0.00 O ATOM 1876 CB ALA A 135 13.896 -14.607 4.609 1.00 0.00 C ATOM 0 H ALA A 135 14.500 -12.129 4.739 1.00 0.00 H new ATOM 0 HA ALA A 135 12.827 -13.937 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 135 13.836 -15.660 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.079 -14.362 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.848 -14.415 4.114 1.00 0.00 H new ATOM 1882 N GLY A 136 15.802 -13.180 7.068 1.00 0.00 N ATOM 1883 CA GLY A 136 16.887 -13.388 8.003 1.00 0.00 C ATOM 1884 C GLY A 136 17.961 -14.302 7.453 1.00 0.00 C ATOM 1885 O GLY A 136 18.618 -15.019 8.209 1.00 0.00 O ATOM 0 H GLY A 136 15.806 -12.268 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 136 17.330 -12.426 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 136 16.491 -13.813 8.925 1.00 0.00 H new ATOM 1889 N ARG A 137 18.146 -14.281 6.140 1.00 0.00 N ATOM 1890 CA ARG A 137 19.137 -15.133 5.500 1.00 0.00 C ATOM 1891 C ARG A 137 20.159 -14.299 4.738 1.00 0.00 C ATOM 1892 O ARG A 137 19.854 -13.738 3.683 1.00 0.00 O ATOM 1893 CB ARG A 137 18.470 -16.121 4.540 1.00 0.00 C ATOM 1894 CG ARG A 137 17.466 -17.048 5.206 1.00 0.00 C ATOM 1895 CD ARG A 137 16.911 -18.063 4.220 1.00 0.00 C ATOM 1896 NE ARG A 137 16.296 -17.425 3.056 1.00 0.00 N ATOM 1897 CZ ARG A 137 15.461 -18.039 2.217 1.00 0.00 C ATOM 1898 NH1 ARG A 137 15.137 -19.316 2.402 1.00 0.00 N ATOM 1899 NH2 ARG A 137 14.947 -17.371 1.194 1.00 0.00 N ATOM 0 H ARG A 137 17.623 -13.684 5.499 1.00 0.00 H new ATOM 0 HA ARG A 137 19.647 -15.690 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 137 17.966 -15.562 3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 137 19.242 -16.723 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 137 17.944 -17.568 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 137 16.649 -16.461 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 137 17.714 -18.722 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 137 16.172 -18.688 4.722 1.00 0.00 H new ATOM 0 HE ARG A 137 16.521 -16.447 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 137 15.528 -19.832 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 137 14.498 -19.779 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 137 15.191 -16.391 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 137 14.308 -17.837 0.550 1.00 0.00 H new ATOM 1913 N ILE A 138 21.365 -14.208 5.280 1.00 0.00 N ATOM 1914 CA ILE A 138 22.452 -13.520 4.597 1.00 0.00 C ATOM 1915 C ILE A 138 23.131 -14.479 3.627 1.00 0.00 C ATOM 1916 O ILE A 138 23.652 -14.080 2.580 1.00 0.00 O ATOM 1917 CB ILE A 138 23.502 -12.965 5.595 1.00 0.00 C ATOM 1918 CG1 ILE A 138 24.527 -12.096 4.869 1.00 0.00 C ATOM 1919 CG2 ILE A 138 24.208 -14.094 6.329 1.00 0.00 C ATOM 1920 CD1 ILE A 138 25.539 -11.444 5.787 1.00 0.00 C ATOM 0 H ILE A 138 21.615 -14.600 6.188 1.00 0.00 H new ATOM 0 HA ILE A 138 22.025 -12.675 4.057 1.00 0.00 H new ATOM 0 HB ILE A 138 22.974 -12.353 6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 138 25.055 -12.708 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.002 -11.319 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 138 24.939 -13.677 7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 138 23.476 -14.681 6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 138 24.716 -14.735 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 138 26.232 -10.844 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 138 25.022 -10.804 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 138 26.092 -12.214 6.324 1.00 0.00 H new ATOM 1932 N GLU A 139 23.088 -15.753 3.974 1.00 0.00 N ATOM 1933 CA GLU A 139 23.766 -16.777 3.213 1.00 0.00 C ATOM 1934 C GLU A 139 22.790 -17.513 2.299 1.00 0.00 C ATOM 1935 O GLU A 139 21.692 -17.896 2.715 1.00 0.00 O ATOM 1936 CB GLU A 139 24.462 -17.745 4.171 1.00 0.00 C ATOM 1937 CG GLU A 139 23.521 -18.415 5.160 1.00 0.00 C ATOM 1938 CD GLU A 139 24.181 -19.544 5.920 1.00 0.00 C ATOM 1939 OE1 GLU A 139 25.072 -19.272 6.754 1.00 0.00 O ATOM 1940 OE2 GLU A 139 23.802 -20.714 5.696 1.00 0.00 O ATOM 0 H GLU A 139 22.583 -16.102 4.789 1.00 0.00 H new ATOM 0 HA GLU A 139 24.517 -16.310 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 139 24.970 -18.514 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 139 25.230 -17.204 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 139 23.155 -17.671 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.653 -18.801 4.625 1.00 0.00 H new ATOM 1947 N SER A 140 23.183 -17.682 1.049 1.00 0.00 N ATOM 1948 CA SER A 140 22.355 -18.373 0.076 1.00 0.00 C ATOM 1949 C SER A 140 22.956 -19.732 -0.264 1.00 0.00 C ATOM 1950 O SER A 140 22.235 -20.685 -0.557 1.00 0.00 O ATOM 1951 CB SER A 140 22.214 -17.522 -1.185 1.00 0.00 C ATOM 1952 OG SER A 140 23.487 -17.141 -1.684 1.00 0.00 O ATOM 0 H SER A 140 24.075 -17.349 0.682 1.00 0.00 H new ATOM 0 HA SER A 140 21.366 -18.533 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 140 21.673 -18.082 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 140 21.624 -16.632 -0.964 1.00 0.00 H new ATOM 0 HG SER A 140 23.373 -16.599 -2.492 1.00 0.00 H new ATOM 1958 N ILE A 141 24.279 -19.817 -0.213 1.00 0.00 N ATOM 1959 CA ILE A 141 24.980 -21.054 -0.518 1.00 0.00 C ATOM 1960 C ILE A 141 24.778 -22.061 0.606 1.00 0.00 C ATOM 1961 O ILE A 141 25.381 -21.883 1.686 1.00 0.00 O ATOM 1962 CB ILE A 141 26.491 -20.812 -0.736 1.00 0.00 C ATOM 1963 CG1 ILE A 141 26.708 -19.771 -1.839 1.00 0.00 C ATOM 1964 CG2 ILE A 141 27.194 -22.115 -1.087 1.00 0.00 C ATOM 1965 CD1 ILE A 141 28.160 -19.413 -2.063 1.00 0.00 C ATOM 1966 OXT ILE A 141 24.005 -23.020 0.414 1.00 0.00 O ATOM 0 H ILE A 141 24.889 -19.039 0.038 1.00 0.00 H new ATOM 0 HA ILE A 141 24.564 -21.451 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 141 26.919 -20.430 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 141 26.289 -20.150 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 141 26.155 -18.866 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 141 28.257 -21.926 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 141 27.064 -22.829 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 141 26.766 -22.525 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 141 28.233 -18.671 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 141 28.580 -19.003 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 141 28.715 -20.307 -2.348 1.00 0.00 H new TER 1978 ILE A 141