USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1045 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 146 GLN : amide:sc= -0.399 X(o=-5.2,f=-4.9) USER MOD Set 1.2: A 147 ASN : amide:sc= -4.76! C(o=-5.2!,f=-15!) USER MOD Set 2.1: A 106 THR OG1 : rot -50:sc= 0.211 USER MOD Set 2.2: A 111 SER OG : rot -173:sc= 0.0684 USER MOD Set 3.1: A 47 TYR OH : rot 114:sc= -5.89! USER MOD Set 3.2: A 79 HIS : no HD1:sc= -2.09! C(o=-8!,f=-11!) USER MOD Set 4.1: A 16 MET CE :methyl -134:sc= -5.52! (180deg=-3.81!) USER MOD Set 4.2: A 144 THR OG1 : rot -70:sc= -1.12 USER MOD Set 5.1: A 13 SER OG : rot -140:sc= -1.05! USER MOD Set 5.2: A 153 LYS NZ :NH3+ 158:sc= -3.73! (180deg=-2.56!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1.12 F(o=-4.1!,f=-1.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 49:sc= 0.765 USER MOD Single : A 17 GLN : amide:sc= -0.443 K(o=-0.44,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.079 (180deg=-0.443) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 22 GLN : amide:sc= -0.845 K(o=-0.85,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= -2.46! C(o=-2.5!,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 27 MET CE :methyl 146:sc= -1.88 (180deg=-5.4!) USER MOD Single : A 30 THR OG1 : rot 135:sc= -6.75! USER MOD Single : A 34 ASN :FLIP amide:sc= -1.26! C(o=-1.9!,f=-1.3!) USER MOD Single : A 37 SER OG : rot -147:sc= -5.14! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.5 X(o=-0.5,f=0) USER MOD Single : A 46 THR OG1 : rot 177:sc= -0.266! USER MOD Single : A 50 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4.5!) USER MOD Single : A 51 SER OG : rot 100:sc= -0.606 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.67! C(o=-2.8!,f=-1.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -6.89! C(o=-6.9!,f=-6.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.144 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00457 USER MOD Single : A 76 GLN : amide:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : A 83 SER OG : rot -132:sc= -1.99! USER MOD Single : A 84 THR OG1 : rot -156:sc= -9.8! USER MOD Single : A 85 THR OG1 : rot 146:sc= -3.96! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.13! X(o=-2.1!,f=-2.5) USER MOD Single : A 88 TYR OH : rot 136:sc= 0.372 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 92 GLN :FLIP amide:sc= -4.4! C(o=-9.4!,f=-4.4!) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.0187 (180deg=-0.142) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -34:sc= -5.93! USER MOD Single : A 98 THR OG1 : rot -115:sc= 1.33 USER MOD Single : A 105 GLN : amide:sc= 0.332 K(o=0.33,f=-4.2!) USER MOD Single : A 110 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.99) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0817 F(o=-1.1,f=-0.082) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.21 F(o=-3.6!,f=-1.2) USER MOD Single : A 122 TYR OH : rot -112:sc= 1.27 USER MOD Single : A 123 ASN : amide:sc= -6.98! C(o=-7!,f=-11!) USER MOD Single : A 124 ASN : amide:sc= -2.7! C(o=-2.7!,f=-2.4!) USER MOD Single : A 125 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0017) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 66:sc= 0.885 USER MOD Single : A 131 THR OG1 : rot 124:sc= 0.344 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.162 K(o=-0.16,f=-5.9!) USER MOD Single : A 139 MET CE :methyl -152:sc= -9.73! (180deg=-16.1!) USER MOD Single : A 140 LYS NZ :NH3+ -155:sc= -2.03 (180deg=-2.91!) USER MOD Single : A 145 THR OG1 : rot 110:sc= -0.0417 USER MOD Single : A 148 TYR OH : rot 41:sc= 0.187 USER MOD Single : A 152 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 7.823 -2.319 18.364 1.00 0.00 N ATOM 32 CA HIS A 3 6.831 -3.075 17.609 1.00 0.00 C ATOM 33 C HIS A 3 5.417 -2.706 18.046 1.00 0.00 C ATOM 34 O HIS A 3 5.228 -1.874 18.932 1.00 0.00 O ATOM 35 CB HIS A 3 7.057 -4.577 17.790 1.00 0.00 C ATOM 36 CG HIS A 3 6.881 -5.043 19.201 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.814 -5.596 19.825 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.879 -4.966 20.150 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 6.184 -5.838 21.126 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 7.434 -5.450 21.295 1.00 0.00 N flip ATOM 0 HA HIS A 3 6.944 -2.822 16.555 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.364 -5.120 17.148 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.064 -4.827 17.456 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.870 -4.571 19.983 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.554 -6.275 21.887 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.966 -5.513 22.163 1.00 0.00 H new ATOM 49 N CYS A 4 4.428 -3.332 17.417 1.00 0.00 N ATOM 50 CA CYS A 4 3.030 -3.069 17.741 1.00 0.00 C ATOM 51 C CYS A 4 2.197 -4.343 17.627 1.00 0.00 C ATOM 52 O CYS A 4 2.543 -5.256 16.878 1.00 0.00 O ATOM 53 CB CYS A 4 2.463 -1.991 16.815 1.00 0.00 C ATOM 54 SG CYS A 4 3.628 -0.639 16.449 1.00 0.00 S ATOM 0 H CYS A 4 4.568 -4.024 16.681 1.00 0.00 H new ATOM 0 HA CYS A 4 2.982 -2.715 18.771 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.157 -2.456 15.878 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.566 -1.571 17.270 1.00 0.00 H new ATOM 59 N VAL A 5 1.101 -4.395 18.375 1.00 0.00 N ATOM 60 CA VAL A 5 0.220 -5.556 18.359 1.00 0.00 C ATOM 61 C VAL A 5 -1.223 -5.145 18.084 1.00 0.00 C ATOM 62 O VAL A 5 -1.708 -4.149 18.619 1.00 0.00 O ATOM 63 CB VAL A 5 0.280 -6.323 19.695 1.00 0.00 C ATOM 64 CG1 VAL A 5 -0.848 -7.341 19.784 1.00 0.00 C ATOM 65 CG2 VAL A 5 1.633 -6.998 19.862 1.00 0.00 C ATOM 0 H VAL A 5 0.801 -3.647 19.000 1.00 0.00 H new ATOM 0 HA VAL A 5 0.568 -6.209 17.558 1.00 0.00 H new ATOM 0 HB VAL A 5 0.153 -5.608 20.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.786 -7.870 20.735 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.807 -6.828 19.716 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.760 -8.055 18.965 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.657 -7.535 20.810 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.793 -7.700 19.044 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.420 -6.244 19.852 1.00 0.00 H new ATOM 75 N THR A 6 -1.907 -5.921 17.247 1.00 0.00 N ATOM 76 CA THR A 6 -3.295 -5.634 16.906 1.00 0.00 C ATOM 77 C THR A 6 -4.247 -6.576 17.632 1.00 0.00 C ATOM 78 O THR A 6 -3.904 -7.728 17.911 1.00 0.00 O ATOM 79 CB THR A 6 -3.545 -5.739 15.391 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.952 -5.713 15.124 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.942 -7.016 14.826 1.00 0.00 C ATOM 0 H THR A 6 -1.523 -6.751 16.794 1.00 0.00 H new ATOM 0 HA THR A 6 -3.486 -4.609 17.224 1.00 0.00 H new ATOM 0 HB THR A 6 -3.066 -4.887 14.909 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.103 -5.779 14.158 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.133 -7.065 13.754 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.867 -7.020 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.394 -7.879 15.315 1.00 0.00 H new ATOM 89 N ASP A 7 -5.444 -6.070 17.931 1.00 0.00 N ATOM 90 CA ASP A 7 -6.466 -6.846 18.628 1.00 0.00 C ATOM 91 C ASP A 7 -6.600 -8.248 18.043 1.00 0.00 C ATOM 92 O ASP A 7 -7.059 -9.169 18.719 1.00 0.00 O ATOM 93 CB ASP A 7 -7.814 -6.125 18.559 1.00 0.00 C ATOM 94 CG ASP A 7 -7.980 -5.331 17.278 1.00 0.00 C ATOM 95 OD1 ASP A 7 -7.270 -5.631 16.296 1.00 0.00 O ATOM 96 OD2 ASP A 7 -8.822 -4.409 17.256 1.00 0.00 O ATOM 0 H ASP A 7 -5.729 -5.119 17.699 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.157 -6.942 19.669 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.618 -6.856 18.637 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.909 -5.455 19.413 1.00 0.00 H new ATOM 101 N SER A 8 -6.186 -8.411 16.791 1.00 0.00 N ATOM 102 CA SER A 8 -6.250 -9.706 16.136 1.00 0.00 C ATOM 103 C SER A 8 -5.334 -10.683 16.851 1.00 0.00 C ATOM 104 O SER A 8 -5.405 -11.893 16.641 1.00 0.00 O ATOM 105 CB SER A 8 -5.848 -9.585 14.665 1.00 0.00 C ATOM 106 OG SER A 8 -6.981 -9.357 13.844 1.00 0.00 O ATOM 0 H SER A 8 -5.804 -7.662 16.213 1.00 0.00 H new ATOM 0 HA SER A 8 -7.275 -10.074 16.181 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.137 -8.767 14.545 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.342 -10.496 14.347 1.00 0.00 H new ATOM 0 HG SER A 8 -6.698 -9.282 12.909 1.00 0.00 H new ATOM 112 N GLY A 9 -4.471 -10.140 17.706 1.00 0.00 N ATOM 113 CA GLY A 9 -3.555 -10.966 18.448 1.00 0.00 C ATOM 114 C GLY A 9 -2.228 -11.140 17.740 1.00 0.00 C ATOM 115 O GLY A 9 -1.589 -12.185 17.858 1.00 0.00 O ATOM 0 H GLY A 9 -4.396 -9.140 17.893 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.384 -10.523 19.429 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.006 -11.944 18.614 1.00 0.00 H new ATOM 119 N VAL A 10 -1.812 -10.117 16.999 1.00 0.00 N ATOM 120 CA VAL A 10 -0.551 -10.182 16.272 1.00 0.00 C ATOM 121 C VAL A 10 0.423 -9.104 16.745 1.00 0.00 C ATOM 122 O VAL A 10 0.074 -8.259 17.569 1.00 0.00 O ATOM 123 CB VAL A 10 -0.781 -10.058 14.748 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.715 -8.615 14.283 1.00 0.00 C ATOM 125 CG2 VAL A 10 0.216 -10.916 13.984 1.00 0.00 C ATOM 0 H VAL A 10 -2.324 -9.242 16.887 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.109 -11.156 16.480 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.787 -10.422 14.538 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.882 -8.572 13.207 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.483 -8.033 14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.267 -8.203 14.515 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.038 -10.815 12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.230 -10.589 14.215 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.096 -11.960 14.275 1.00 0.00 H new ATOM 135 N VAL A 11 1.642 -9.141 16.219 1.00 0.00 N ATOM 136 CA VAL A 11 2.663 -8.169 16.587 1.00 0.00 C ATOM 137 C VAL A 11 3.442 -7.697 15.363 1.00 0.00 C ATOM 138 O VAL A 11 4.467 -8.278 15.007 1.00 0.00 O ATOM 139 CB VAL A 11 3.651 -8.753 17.615 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.677 -7.707 18.024 1.00 0.00 C ATOM 141 CG2 VAL A 11 2.906 -9.285 18.830 1.00 0.00 C ATOM 0 H VAL A 11 1.947 -9.834 15.536 1.00 0.00 H new ATOM 0 HA VAL A 11 2.144 -7.321 17.033 1.00 0.00 H new ATOM 0 HB VAL A 11 4.181 -9.585 17.151 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.366 -8.138 18.750 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.233 -7.380 17.146 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.168 -6.852 18.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.620 -9.693 19.545 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.347 -8.474 19.298 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.216 -10.069 18.519 1.00 0.00 H new ATOM 151 N TYR A 12 2.948 -6.641 14.725 1.00 0.00 N ATOM 152 CA TYR A 12 3.599 -6.091 13.541 1.00 0.00 C ATOM 153 C TYR A 12 4.755 -5.176 13.930 1.00 0.00 C ATOM 154 O TYR A 12 4.542 -4.068 14.421 1.00 0.00 O ATOM 155 CB TYR A 12 2.590 -5.314 12.692 1.00 0.00 C ATOM 156 CG TYR A 12 1.543 -6.183 12.034 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.839 -6.923 10.895 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.255 -6.261 12.549 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.882 -7.714 10.289 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.707 -7.050 11.949 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.389 -7.774 10.820 1.00 0.00 C ATOM 162 OH TYR A 12 -1.346 -8.560 10.220 1.00 0.00 O ATOM 0 H TYR A 12 2.100 -6.149 15.007 1.00 0.00 H new ATOM 0 HA TYR A 12 3.994 -6.923 12.958 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.092 -4.577 13.322 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.128 -4.763 11.920 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.834 -6.879 10.477 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.002 -5.695 13.433 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.128 -8.282 9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.703 -7.099 12.362 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.980 -9.454 10.057 1.00 0.00 H new ATOM 172 N SER A 13 5.979 -5.642 13.703 1.00 0.00 N ATOM 173 CA SER A 13 7.164 -4.856 14.028 1.00 0.00 C ATOM 174 C SER A 13 7.090 -3.480 13.376 1.00 0.00 C ATOM 175 O SER A 13 6.465 -3.314 12.328 1.00 0.00 O ATOM 176 CB SER A 13 8.428 -5.585 13.569 1.00 0.00 C ATOM 177 OG SER A 13 9.004 -6.326 14.631 1.00 0.00 O ATOM 0 H SER A 13 6.176 -6.557 13.297 1.00 0.00 H new ATOM 0 HA SER A 13 7.203 -4.728 15.110 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.186 -6.255 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.151 -4.862 13.191 1.00 0.00 H new ATOM 0 HG SER A 13 9.980 -6.245 14.594 1.00 0.00 H new ATOM 183 N VAL A 14 7.726 -2.496 14.000 1.00 0.00 N ATOM 184 CA VAL A 14 7.729 -1.136 13.483 1.00 0.00 C ATOM 185 C VAL A 14 8.056 -1.108 11.996 1.00 0.00 C ATOM 186 O VAL A 14 8.237 -2.150 11.369 1.00 0.00 O ATOM 187 CB VAL A 14 8.738 -0.260 14.241 1.00 0.00 C ATOM 188 CG1 VAL A 14 8.561 -0.431 15.740 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.161 -0.593 13.820 1.00 0.00 C ATOM 0 H VAL A 14 8.248 -2.617 14.868 1.00 0.00 H new ATOM 0 HA VAL A 14 6.726 -0.737 13.630 1.00 0.00 H new ATOM 0 HB VAL A 14 8.550 0.784 13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.282 0.195 16.265 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.550 -0.136 16.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.723 -1.475 16.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.860 0.038 14.368 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.370 -1.640 14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.275 -0.416 12.750 1.00 0.00 H new ATOM 199 N GLY A 15 8.125 0.095 11.434 1.00 0.00 N ATOM 200 CA GLY A 15 8.421 0.229 10.023 1.00 0.00 C ATOM 201 C GLY A 15 7.720 -0.829 9.196 1.00 0.00 C ATOM 202 O GLY A 15 8.234 -1.264 8.166 1.00 0.00 O ATOM 0 H GLY A 15 7.982 0.975 11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.117 1.218 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.498 0.156 9.869 1.00 0.00 H new ATOM 206 N MET A 16 6.543 -1.248 9.655 1.00 0.00 N ATOM 207 CA MET A 16 5.773 -2.270 8.951 1.00 0.00 C ATOM 208 C MET A 16 4.320 -1.843 8.773 1.00 0.00 C ATOM 209 O MET A 16 3.620 -1.569 9.748 1.00 0.00 O ATOM 210 CB MET A 16 5.831 -3.597 9.710 1.00 0.00 C ATOM 211 CG MET A 16 5.264 -4.769 8.927 1.00 0.00 C ATOM 212 SD MET A 16 6.464 -5.493 7.793 1.00 0.00 S ATOM 213 CE MET A 16 6.704 -7.103 8.540 1.00 0.00 C ATOM 0 H MET A 16 6.104 -0.898 10.506 1.00 0.00 H new ATOM 0 HA MET A 16 6.217 -2.399 7.964 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.867 -3.812 9.971 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.281 -3.495 10.646 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.921 -5.534 9.623 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.392 -4.437 8.364 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.770 -7.327 8.588 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.288 -7.102 9.548 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.201 -7.861 7.940 1.00 0.00 H new ATOM 223 N GLN A 17 3.873 -1.797 7.523 1.00 0.00 N ATOM 224 CA GLN A 17 2.501 -1.410 7.215 1.00 0.00 C ATOM 225 C GLN A 17 1.609 -2.639 7.073 1.00 0.00 C ATOM 226 O GLN A 17 2.075 -3.716 6.698 1.00 0.00 O ATOM 227 CB GLN A 17 2.458 -0.583 5.929 1.00 0.00 C ATOM 228 CG GLN A 17 3.693 0.279 5.719 1.00 0.00 C ATOM 229 CD GLN A 17 3.948 0.585 4.256 1.00 0.00 C ATOM 230 OE1 GLN A 17 3.634 -0.218 3.377 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.521 1.753 3.988 1.00 0.00 N ATOM 0 H GLN A 17 4.441 -2.023 6.706 1.00 0.00 H new ATOM 0 HA GLN A 17 2.127 -0.804 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.345 -1.255 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.577 0.058 5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.577 1.214 6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.562 -0.229 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.764 2.388 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.718 2.015 3.022 1.00 0.00 H new ATOM 240 N TRP A 18 0.326 -2.471 7.374 1.00 0.00 N ATOM 241 CA TRP A 18 -0.630 -3.567 7.280 1.00 0.00 C ATOM 242 C TRP A 18 -2.058 -3.061 7.461 1.00 0.00 C ATOM 243 O TRP A 18 -2.344 -2.295 8.381 1.00 0.00 O ATOM 244 CB TRP A 18 -0.314 -4.642 8.325 1.00 0.00 C ATOM 245 CG TRP A 18 -0.936 -4.381 9.663 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.186 -4.753 10.071 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.340 -3.696 10.770 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.401 -4.341 11.364 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.283 -3.691 11.815 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.901 -3.088 10.980 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -1.023 -3.101 13.050 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.157 -2.502 12.206 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.198 -2.513 13.227 1.00 0.00 C ATOM 0 H TRP A 18 -0.075 -1.586 7.685 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.545 -4.006 6.286 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.659 -5.608 7.956 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.767 -4.714 8.444 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.900 -5.292 9.466 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.255 -4.494 11.901 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.647 -3.076 10.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.760 -3.108 13.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.112 -2.028 12.379 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.428 -2.047 14.174 1.00 0.00 H new ATOM 264 N LEU A 19 -2.950 -3.495 6.576 1.00 0.00 N ATOM 265 CA LEU A 19 -4.348 -3.086 6.636 1.00 0.00 C ATOM 266 C LEU A 19 -5.082 -3.810 7.759 1.00 0.00 C ATOM 267 O LEU A 19 -4.683 -4.899 8.174 1.00 0.00 O ATOM 268 CB LEU A 19 -5.039 -3.361 5.299 1.00 0.00 C ATOM 269 CG LEU A 19 -4.540 -2.515 4.127 1.00 0.00 C ATOM 270 CD1 LEU A 19 -4.846 -3.203 2.805 1.00 0.00 C ATOM 271 CD2 LEU A 19 -5.164 -1.128 4.166 1.00 0.00 C ATOM 0 H LEU A 19 -2.729 -4.130 5.809 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.378 -2.016 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.908 -4.414 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.109 -3.193 5.419 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.459 -2.407 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.484 -2.587 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.351 -4.174 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.923 -3.342 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.797 -0.540 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.249 -1.215 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.894 -0.634 5.099 1.00 0.00 H new ATOM 283 N LYS A 20 -6.156 -3.200 8.248 1.00 0.00 N ATOM 284 CA LYS A 20 -6.946 -3.786 9.324 1.00 0.00 C ATOM 285 C LYS A 20 -8.351 -3.193 9.352 1.00 0.00 C ATOM 286 O LYS A 20 -8.655 -2.257 8.613 1.00 0.00 O ATOM 287 CB LYS A 20 -6.259 -3.562 10.672 1.00 0.00 C ATOM 288 CG LYS A 20 -5.359 -2.338 10.699 1.00 0.00 C ATOM 289 CD LYS A 20 -5.412 -1.637 12.047 1.00 0.00 C ATOM 290 CE LYS A 20 -5.431 -2.635 13.195 1.00 0.00 C ATOM 291 NZ LYS A 20 -6.740 -2.641 13.904 1.00 0.00 N ATOM 0 H LYS A 20 -6.500 -2.299 7.916 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.026 -4.857 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.020 -3.461 11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.668 -4.443 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.333 -2.635 10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.663 -1.644 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.549 -0.979 12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.301 -1.008 12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.221 -3.634 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.637 -2.391 13.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.936 -3.597 14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.707 -1.972 14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.493 -2.358 13.245 1.00 0.00 H new ATOM 305 N THR A 21 -9.204 -3.745 10.209 1.00 0.00 N ATOM 306 CA THR A 21 -10.577 -3.270 10.333 1.00 0.00 C ATOM 307 C THR A 21 -10.690 -2.192 11.404 1.00 0.00 C ATOM 308 O THR A 21 -10.907 -2.489 12.579 1.00 0.00 O ATOM 309 CB THR A 21 -11.541 -4.422 10.677 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.799 -5.574 11.093 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.408 -4.777 9.479 1.00 0.00 C ATOM 0 H THR A 21 -8.969 -4.521 10.827 1.00 0.00 H new ATOM 0 HA THR A 21 -10.855 -2.850 9.367 1.00 0.00 H new ATOM 0 HB THR A 21 -12.189 -4.094 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.419 -6.301 11.311 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.080 -5.593 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.993 -3.906 9.183 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.773 -5.087 8.649 1.00 0.00 H new ATOM 319 N GLN A 22 -10.542 -0.937 10.992 1.00 0.00 N ATOM 320 CA GLN A 22 -10.628 0.187 11.916 1.00 0.00 C ATOM 321 C GLN A 22 -12.064 0.688 12.032 1.00 0.00 C ATOM 322 O GLN A 22 -12.323 1.888 11.936 1.00 0.00 O ATOM 323 CB GLN A 22 -9.714 1.325 11.456 1.00 0.00 C ATOM 324 CG GLN A 22 -9.065 2.085 12.600 1.00 0.00 C ATOM 325 CD GLN A 22 -9.926 2.108 13.848 1.00 0.00 C ATOM 326 OE1 GLN A 22 -9.830 1.224 14.699 1.00 0.00 O ATOM 327 NE2 GLN A 22 -10.775 3.122 13.963 1.00 0.00 N ATOM 0 H GLN A 22 -10.362 -0.673 10.023 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.302 -0.157 12.898 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.934 0.916 10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.293 2.022 10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.103 1.629 12.835 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.863 3.108 12.283 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.822 3.833 13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.381 3.190 14.781 1.00 0.00 H new ATOM 336 N GLY A 23 -12.994 -0.239 12.239 1.00 0.00 N ATOM 337 CA GLY A 23 -14.392 0.128 12.364 1.00 0.00 C ATOM 338 C GLY A 23 -15.270 -0.574 11.348 1.00 0.00 C ATOM 339 O GLY A 23 -15.781 -1.664 11.607 1.00 0.00 O ATOM 0 H GLY A 23 -12.804 -1.238 12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.739 -0.114 13.368 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.493 1.207 12.243 1.00 0.00 H new ATOM 343 N ASN A 24 -15.446 0.050 10.188 1.00 0.00 N ATOM 344 CA ASN A 24 -16.268 -0.522 9.128 1.00 0.00 C ATOM 345 C ASN A 24 -15.672 -0.224 7.756 1.00 0.00 C ATOM 346 O ASN A 24 -16.399 0.031 6.795 1.00 0.00 O ATOM 347 CB ASN A 24 -17.693 0.027 9.207 1.00 0.00 C ATOM 348 CG ASN A 24 -18.041 0.535 10.593 1.00 0.00 C ATOM 349 OD1 ASN A 24 -17.851 -0.163 11.589 1.00 0.00 O ATOM 350 ND2 ASN A 24 -18.555 1.758 10.663 1.00 0.00 N ATOM 0 H ASN A 24 -15.030 0.953 9.958 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.294 -1.603 9.266 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -17.808 0.837 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.397 -0.755 8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.809 2.153 11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.695 2.302 9.811 1.00 0.00 H new ATOM 357 N LYS A 25 -14.346 -0.258 7.672 1.00 0.00 N ATOM 358 CA LYS A 25 -13.653 0.008 6.418 1.00 0.00 C ATOM 359 C LYS A 25 -12.214 -0.498 6.473 1.00 0.00 C ATOM 360 O LYS A 25 -11.822 -1.178 7.420 1.00 0.00 O ATOM 361 CB LYS A 25 -13.668 1.507 6.110 1.00 0.00 C ATOM 362 CG LYS A 25 -14.683 2.285 6.929 1.00 0.00 C ATOM 363 CD LYS A 25 -14.352 3.769 6.963 1.00 0.00 C ATOM 364 CE LYS A 25 -15.486 4.606 6.393 1.00 0.00 C ATOM 365 NZ LYS A 25 -15.687 5.866 7.161 1.00 0.00 N ATOM 0 H LYS A 25 -13.730 -0.467 8.458 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.176 -0.524 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.675 1.917 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.882 1.650 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.678 2.143 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.709 1.893 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.153 4.075 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.441 3.953 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.272 4.846 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.407 4.024 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.469 6.408 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.916 5.637 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.816 6.434 7.130 1.00 0.00 H new ATOM 379 N GLN A 26 -11.435 -0.159 5.451 1.00 0.00 N ATOM 380 CA GLN A 26 -10.040 -0.579 5.384 1.00 0.00 C ATOM 381 C GLN A 26 -9.106 0.584 5.701 1.00 0.00 C ATOM 382 O GLN A 26 -9.081 1.586 4.988 1.00 0.00 O ATOM 383 CB GLN A 26 -9.721 -1.139 3.996 1.00 0.00 C ATOM 384 CG GLN A 26 -9.491 -0.066 2.944 1.00 0.00 C ATOM 385 CD GLN A 26 -9.992 -0.477 1.574 1.00 0.00 C ATOM 386 OE1 GLN A 26 -11.161 -0.825 1.406 1.00 0.00 O ATOM 387 NE2 GLN A 26 -9.107 -0.438 0.584 1.00 0.00 N ATOM 0 H GLN A 26 -11.745 0.404 4.659 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.885 -1.360 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.833 -1.767 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.542 -1.781 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.993 0.852 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.426 0.158 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.148 -0.143 0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.386 -0.703 -0.361 1.00 0.00 H new ATOM 396 N MET A 27 -8.339 0.443 6.778 1.00 0.00 N ATOM 397 CA MET A 27 -7.402 1.482 7.191 1.00 0.00 C ATOM 398 C MET A 27 -5.972 0.953 7.198 1.00 0.00 C ATOM 399 O MET A 27 -5.711 -0.155 7.667 1.00 0.00 O ATOM 400 CB MET A 27 -7.770 2.007 8.580 1.00 0.00 C ATOM 401 CG MET A 27 -8.942 2.975 8.572 1.00 0.00 C ATOM 402 SD MET A 27 -8.725 4.337 9.735 1.00 0.00 S ATOM 403 CE MET A 27 -7.040 4.825 9.374 1.00 0.00 C ATOM 0 H MET A 27 -8.348 -0.380 7.380 1.00 0.00 H new ATOM 0 HA MET A 27 -7.465 2.299 6.473 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.011 1.163 9.227 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.902 2.504 9.014 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.069 3.377 7.567 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.856 2.435 8.817 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.939 5.903 9.497 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.360 4.317 10.058 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.794 4.552 8.348 1.00 0.00 H new ATOM 413 N LEU A 28 -5.048 1.753 6.674 1.00 0.00 N ATOM 414 CA LEU A 28 -3.643 1.365 6.620 1.00 0.00 C ATOM 415 C LEU A 28 -2.946 1.665 7.943 1.00 0.00 C ATOM 416 O LEU A 28 -2.711 2.825 8.283 1.00 0.00 O ATOM 417 CB LEU A 28 -2.934 2.095 5.479 1.00 0.00 C ATOM 418 CG LEU A 28 -1.601 1.481 5.048 1.00 0.00 C ATOM 419 CD1 LEU A 28 -1.829 0.152 4.344 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.838 2.440 4.148 1.00 0.00 C ATOM 0 H LEU A 28 -5.247 2.673 6.281 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.594 0.291 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.600 2.123 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.760 3.128 5.781 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.002 1.298 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.870 -0.270 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.333 -0.537 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.448 0.310 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.108 1.986 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.432 2.655 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.642 3.367 4.687 1.00 0.00 H new ATOM 432 N CYS A 29 -2.618 0.613 8.686 1.00 0.00 N ATOM 433 CA CYS A 29 -1.947 0.766 9.972 1.00 0.00 C ATOM 434 C CYS A 29 -0.532 0.201 9.918 1.00 0.00 C ATOM 435 O CYS A 29 -0.338 -0.997 9.709 1.00 0.00 O ATOM 436 CB CYS A 29 -2.746 0.068 11.074 1.00 0.00 C ATOM 437 SG CYS A 29 -3.330 1.184 12.389 1.00 0.00 S ATOM 0 H CYS A 29 -2.806 -0.354 8.420 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.885 1.831 10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.606 -0.429 10.625 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.126 -0.709 11.521 1.00 0.00 H new ATOM 442 N THR A 30 0.454 1.070 10.109 1.00 0.00 N ATOM 443 CA THR A 30 1.852 0.658 10.083 1.00 0.00 C ATOM 444 C THR A 30 2.512 0.860 11.440 1.00 0.00 C ATOM 445 O THR A 30 2.394 1.925 12.046 1.00 0.00 O ATOM 446 CB THR A 30 2.651 1.443 9.024 1.00 0.00 C ATOM 447 OG1 THR A 30 2.065 1.265 7.730 1.00 0.00 O ATOM 448 CG2 THR A 30 4.104 0.993 8.997 1.00 0.00 C ATOM 0 H THR A 30 0.311 2.065 10.284 1.00 0.00 H new ATOM 0 HA THR A 30 1.860 -0.402 9.828 1.00 0.00 H new ATOM 0 HB THR A 30 2.620 2.499 9.291 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.009 2.131 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.647 1.561 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.556 1.163 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.152 -0.069 8.756 1.00 0.00 H new ATOM 456 N CYS A 31 3.215 -0.164 11.908 1.00 0.00 N ATOM 457 CA CYS A 31 3.903 -0.088 13.190 1.00 0.00 C ATOM 458 C CYS A 31 5.093 0.856 13.092 1.00 0.00 C ATOM 459 O CYS A 31 5.921 0.730 12.189 1.00 0.00 O ATOM 460 CB CYS A 31 4.371 -1.476 13.630 1.00 0.00 C ATOM 461 SG CYS A 31 5.059 -1.527 15.316 1.00 0.00 S ATOM 0 H CYS A 31 3.323 -1.054 11.421 1.00 0.00 H new ATOM 0 HA CYS A 31 3.205 0.297 13.934 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.530 -2.167 13.571 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.126 -1.832 12.930 1.00 0.00 H new ATOM 466 N LEU A 32 5.169 1.805 14.018 1.00 0.00 N ATOM 467 CA LEU A 32 6.258 2.774 14.027 1.00 0.00 C ATOM 468 C LEU A 32 6.601 3.197 15.452 1.00 0.00 C ATOM 469 O LEU A 32 5.746 3.182 16.337 1.00 0.00 O ATOM 470 CB LEU A 32 5.879 3.999 13.194 1.00 0.00 C ATOM 471 CG LEU A 32 5.712 3.737 11.696 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.263 3.937 11.279 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.632 4.641 10.891 1.00 0.00 C ATOM 0 H LEU A 32 4.491 1.924 14.771 1.00 0.00 H new ATOM 0 HA LEU A 32 7.137 2.302 13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.946 4.409 13.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.644 4.763 13.331 1.00 0.00 H new ATOM 0 HG LEU A 32 5.987 2.702 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.162 3.747 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.627 3.246 11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.960 4.962 11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.500 4.441 9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.389 5.683 11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.668 4.448 11.170 1.00 0.00 H new ATOM 485 N GLY A 33 7.856 3.576 15.664 1.00 0.00 N ATOM 486 CA GLY A 33 8.292 4.000 16.982 1.00 0.00 C ATOM 487 C GLY A 33 7.627 3.213 18.094 1.00 0.00 C ATOM 488 O GLY A 33 8.082 2.126 18.453 1.00 0.00 O ATOM 0 H GLY A 33 8.580 3.597 14.946 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.373 3.887 17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.073 5.060 17.110 1.00 0.00 H new ATOM 492 N ASN A 34 6.548 3.762 18.641 1.00 0.00 N ATOM 493 CA ASN A 34 5.820 3.105 19.720 1.00 0.00 C ATOM 494 C ASN A 34 4.315 3.161 19.475 1.00 0.00 C ATOM 495 O ASN A 34 3.529 3.306 20.411 1.00 0.00 O ATOM 496 CB ASN A 34 6.155 3.758 21.062 1.00 0.00 C ATOM 497 CG ASN A 34 5.410 3.120 22.218 1.00 0.00 C ATOM 498 OD1 ASN A 34 5.260 1.801 22.169 1.00 0.00 O flip ATOM 499 ND2 ASN A 34 4.976 3.803 23.146 1.00 0.00 N flip ATOM 0 H ASN A 34 6.158 4.660 18.355 1.00 0.00 H new ATOM 0 HA ASN A 34 6.127 2.059 19.747 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.228 3.685 21.240 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.911 4.819 21.017 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.114 4.814 23.143 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.479 3.358 23.918 1.00 0.00 H new ATOM 506 N GLY A 35 3.920 3.046 18.211 1.00 0.00 N ATOM 507 CA GLY A 35 2.512 3.086 17.869 1.00 0.00 C ATOM 508 C GLY A 35 2.267 2.865 16.390 1.00 0.00 C ATOM 509 O GLY A 35 3.080 3.257 15.553 1.00 0.00 O ATOM 0 H GLY A 35 4.551 2.926 17.418 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.981 2.324 18.440 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.097 4.050 18.162 1.00 0.00 H new ATOM 513 N VAL A 36 1.143 2.233 16.066 1.00 0.00 N ATOM 514 CA VAL A 36 0.793 1.960 14.678 1.00 0.00 C ATOM 515 C VAL A 36 0.255 3.210 13.989 1.00 0.00 C ATOM 516 O VAL A 36 -0.830 3.691 14.316 1.00 0.00 O ATOM 517 CB VAL A 36 -0.260 0.839 14.573 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.283 0.257 13.168 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.007 -0.245 15.605 1.00 0.00 C ATOM 0 H VAL A 36 0.460 1.901 16.746 1.00 0.00 H new ATOM 0 HA VAL A 36 1.708 1.638 14.180 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.241 1.267 14.779 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.032 -0.533 13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.530 1.042 12.453 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.697 -0.156 12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.747 -1.027 15.515 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.995 -0.673 15.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.036 0.186 16.605 1.00 0.00 H new ATOM 529 N SER A 37 1.019 3.731 13.035 1.00 0.00 N ATOM 530 CA SER A 37 0.616 4.925 12.302 1.00 0.00 C ATOM 531 C SER A 37 -0.479 4.595 11.292 1.00 0.00 C ATOM 532 O SER A 37 -0.197 4.268 10.140 1.00 0.00 O ATOM 533 CB SER A 37 1.819 5.539 11.584 1.00 0.00 C ATOM 534 OG SER A 37 2.891 5.762 12.485 1.00 0.00 O ATOM 0 H SER A 37 1.920 3.346 12.752 1.00 0.00 H new ATOM 0 HA SER A 37 0.223 5.647 13.018 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.145 4.876 10.782 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.528 6.481 11.120 1.00 0.00 H new ATOM 0 HG SER A 37 3.389 6.560 12.209 1.00 0.00 H new ATOM 540 N CYS A 38 -1.729 4.682 11.734 1.00 0.00 N ATOM 541 CA CYS A 38 -2.868 4.392 10.872 1.00 0.00 C ATOM 542 C CYS A 38 -3.181 5.574 9.961 1.00 0.00 C ATOM 543 O CYS A 38 -2.929 6.726 10.314 1.00 0.00 O ATOM 544 CB CYS A 38 -4.096 4.042 11.713 1.00 0.00 C ATOM 545 SG CYS A 38 -4.713 2.346 11.462 1.00 0.00 S ATOM 0 H CYS A 38 -1.979 4.951 12.686 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.608 3.537 10.248 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.851 4.176 12.767 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.895 4.746 11.480 1.00 0.00 H new ATOM 550 N GLN A 39 -3.732 5.280 8.788 1.00 0.00 N ATOM 551 CA GLN A 39 -4.081 6.317 7.825 1.00 0.00 C ATOM 552 C GLN A 39 -5.014 5.768 6.750 1.00 0.00 C ATOM 553 O GLN A 39 -4.674 4.819 6.044 1.00 0.00 O ATOM 554 CB GLN A 39 -2.818 6.888 7.177 1.00 0.00 C ATOM 555 CG GLN A 39 -2.935 8.358 6.808 1.00 0.00 C ATOM 556 CD GLN A 39 -2.301 8.673 5.468 1.00 0.00 C ATOM 557 OE1 GLN A 39 -2.915 8.482 4.417 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.067 9.161 5.497 1.00 0.00 N ATOM 0 H GLN A 39 -3.946 4.331 8.482 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.599 7.114 8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.979 6.759 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.589 6.314 6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.988 8.640 6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.461 8.962 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.596 9.303 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.590 9.394 4.626 1.00 0.00 H new ATOM 567 N GLU A 40 -6.193 6.371 6.631 1.00 0.00 N ATOM 568 CA GLU A 40 -7.175 5.942 5.643 1.00 0.00 C ATOM 569 C GLU A 40 -6.673 6.205 4.227 1.00 0.00 C ATOM 570 O GLU A 40 -6.624 7.351 3.778 1.00 0.00 O ATOM 571 CB GLU A 40 -8.505 6.664 5.868 1.00 0.00 C ATOM 572 CG GLU A 40 -9.451 5.922 6.798 1.00 0.00 C ATOM 573 CD GLU A 40 -10.853 6.496 6.781 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.994 7.715 6.546 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.812 5.727 7.004 1.00 0.00 O ATOM 0 H GLU A 40 -6.491 7.158 7.207 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.328 4.869 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.306 7.654 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.996 6.811 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.489 4.872 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.059 5.959 7.814 1.00 0.00 H new ATOM 636 N GLN A 45 -6.922 7.819 -6.277 1.00 0.00 N ATOM 637 CA GLN A 45 -7.275 9.214 -6.512 1.00 0.00 C ATOM 638 C GLN A 45 -7.426 9.493 -8.004 1.00 0.00 C ATOM 639 O GLN A 45 -6.706 10.318 -8.567 1.00 0.00 O ATOM 640 CB GLN A 45 -6.214 10.139 -5.913 1.00 0.00 C ATOM 641 CG GLN A 45 -6.790 11.391 -5.273 1.00 0.00 C ATOM 642 CD GLN A 45 -6.963 11.253 -3.774 1.00 0.00 C ATOM 643 OE1 GLN A 45 -6.782 12.214 -3.025 1.00 0.00 O ATOM 644 NE2 GLN A 45 -7.315 10.054 -3.326 1.00 0.00 N ATOM 0 HA GLN A 45 -8.231 9.407 -6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.644 9.588 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.514 10.430 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.135 12.236 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.755 11.616 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.455 9.285 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.446 9.901 -2.326 1.00 0.00 H new ATOM 653 N THR A 46 -8.367 8.801 -8.639 1.00 0.00 N ATOM 654 CA THR A 46 -8.611 8.974 -10.065 1.00 0.00 C ATOM 655 C THR A 46 -8.423 10.428 -10.482 1.00 0.00 C ATOM 656 O THR A 46 -8.928 11.342 -9.829 1.00 0.00 O ATOM 657 CB THR A 46 -10.033 8.522 -10.450 1.00 0.00 C ATOM 658 OG1 THR A 46 -10.976 8.990 -9.479 1.00 0.00 O ATOM 659 CG2 THR A 46 -10.110 7.006 -10.550 1.00 0.00 C ATOM 0 H THR A 46 -8.973 8.115 -8.188 1.00 0.00 H new ATOM 0 HA THR A 46 -7.885 8.352 -10.588 1.00 0.00 H new ATOM 0 HB THR A 46 -10.274 8.947 -11.424 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.883 8.744 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.123 6.710 -10.823 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.412 6.656 -11.311 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.850 6.564 -9.588 1.00 0.00 H new ATOM 667 N TYR A 47 -7.694 10.636 -11.574 1.00 0.00 N ATOM 668 CA TYR A 47 -7.440 11.980 -12.078 1.00 0.00 C ATOM 669 C TYR A 47 -7.287 11.971 -13.596 1.00 0.00 C ATOM 670 O TYR A 47 -7.130 10.915 -14.208 1.00 0.00 O ATOM 671 CB TYR A 47 -6.182 12.563 -11.431 1.00 0.00 C ATOM 672 CG TYR A 47 -5.037 11.580 -11.336 1.00 0.00 C ATOM 673 CD1 TYR A 47 -4.404 11.109 -12.480 1.00 0.00 C ATOM 674 CD2 TYR A 47 -4.588 11.124 -10.103 1.00 0.00 C ATOM 675 CE1 TYR A 47 -3.357 10.211 -12.397 1.00 0.00 C ATOM 676 CE2 TYR A 47 -3.542 10.227 -10.012 1.00 0.00 C ATOM 677 CZ TYR A 47 -2.930 9.773 -11.161 1.00 0.00 C ATOM 678 OH TYR A 47 -1.886 8.880 -11.075 1.00 0.00 O ATOM 0 H TYR A 47 -7.269 9.891 -12.126 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.295 12.605 -11.819 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.858 13.431 -12.005 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.429 12.917 -10.430 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.736 11.450 -13.449 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.065 11.477 -9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.876 9.854 -13.295 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.205 9.883 -9.045 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.123 9.310 -10.636 1.00 0.00 H new ATOM 688 N GLY A 48 -7.333 13.155 -14.197 1.00 0.00 N ATOM 689 CA GLY A 48 -7.197 13.262 -15.638 1.00 0.00 C ATOM 690 C GLY A 48 -7.918 12.147 -16.372 1.00 0.00 C ATOM 691 O GLY A 48 -8.851 11.548 -15.839 1.00 0.00 O ATOM 0 H GLY A 48 -7.462 14.043 -13.712 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.591 14.224 -15.967 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.140 13.243 -15.903 1.00 0.00 H new ATOM 695 N GLY A 49 -7.482 11.870 -17.596 1.00 0.00 N ATOM 696 CA GLY A 49 -8.101 10.820 -18.382 1.00 0.00 C ATOM 697 C GLY A 49 -9.318 11.307 -19.143 1.00 0.00 C ATOM 698 O GLY A 49 -9.473 12.505 -19.381 1.00 0.00 O ATOM 0 H GLY A 49 -6.712 12.354 -18.057 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.372 10.420 -19.086 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.391 10.001 -17.724 1.00 0.00 H new ATOM 702 N ASN A 50 -10.186 10.376 -19.525 1.00 0.00 N ATOM 703 CA ASN A 50 -11.397 10.716 -20.264 1.00 0.00 C ATOM 704 C ASN A 50 -12.526 11.092 -19.310 1.00 0.00 C ATOM 705 O ASN A 50 -13.689 11.163 -19.707 1.00 0.00 O ATOM 706 CB ASN A 50 -11.829 9.542 -21.145 1.00 0.00 C ATOM 707 CG ASN A 50 -11.051 9.479 -22.445 1.00 0.00 C ATOM 708 OD1 ASN A 50 -10.393 10.443 -22.835 1.00 0.00 O ATOM 709 ND2 ASN A 50 -11.124 8.340 -23.124 1.00 0.00 N ATOM 0 H ASN A 50 -10.074 9.380 -19.335 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.178 11.575 -20.898 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.692 8.610 -20.597 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.893 9.629 -21.365 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.622 8.239 -24.006 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.682 7.566 -22.763 1.00 0.00 H new ATOM 716 N SER A 51 -12.176 11.332 -18.051 1.00 0.00 N ATOM 717 CA SER A 51 -13.158 11.703 -17.041 1.00 0.00 C ATOM 718 C SER A 51 -12.729 12.963 -16.294 1.00 0.00 C ATOM 719 O SER A 51 -13.439 13.444 -15.411 1.00 0.00 O ATOM 720 CB SER A 51 -13.359 10.554 -16.050 1.00 0.00 C ATOM 721 OG SER A 51 -14.700 10.500 -15.595 1.00 0.00 O ATOM 0 H SER A 51 -11.218 11.276 -17.706 1.00 0.00 H new ATOM 0 HA SER A 51 -14.100 11.909 -17.548 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.095 9.609 -16.526 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.688 10.681 -15.200 1.00 0.00 H new ATOM 0 HG SER A 51 -15.185 9.805 -16.088 1.00 0.00 H new ATOM 727 N ASN A 52 -11.564 13.495 -16.655 1.00 0.00 N ATOM 728 CA ASN A 52 -11.046 14.699 -16.017 1.00 0.00 C ATOM 729 C ASN A 52 -10.701 14.437 -14.554 1.00 0.00 C ATOM 730 O ASN A 52 -10.424 15.367 -13.795 1.00 0.00 O ATOM 731 CB ASN A 52 -12.068 15.833 -16.119 1.00 0.00 C ATOM 732 CG ASN A 52 -11.677 17.042 -15.293 1.00 0.00 C ATOM 733 OD1 ASN A 52 -10.382 17.333 -15.245 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 -12.528 17.709 -14.705 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.963 13.111 -17.384 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.134 14.992 -16.537 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.175 16.129 -17.163 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.042 15.471 -15.789 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.513 17.450 -14.769 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.249 18.521 -14.154 1.00 0.00 H new ATOM 741 N GLY A 53 -10.720 13.167 -14.164 1.00 0.00 N ATOM 742 CA GLY A 53 -10.407 12.807 -12.794 1.00 0.00 C ATOM 743 C GLY A 53 -11.643 12.467 -11.985 1.00 0.00 C ATOM 744 O GLY A 53 -11.986 13.171 -11.036 1.00 0.00 O ATOM 0 H GLY A 53 -10.947 12.380 -14.773 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.730 11.953 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.880 13.633 -12.316 1.00 0.00 H new ATOM 748 N GLU A 54 -12.313 11.383 -12.361 1.00 0.00 N ATOM 749 CA GLU A 54 -13.519 10.949 -11.664 1.00 0.00 C ATOM 750 C GLU A 54 -13.421 9.478 -11.272 1.00 0.00 C ATOM 751 O GLU A 54 -12.382 8.843 -11.451 1.00 0.00 O ATOM 752 CB GLU A 54 -14.751 11.180 -12.541 1.00 0.00 C ATOM 753 CG GLU A 54 -15.727 12.196 -11.968 1.00 0.00 C ATOM 754 CD GLU A 54 -16.274 13.138 -13.023 1.00 0.00 C ATOM 755 OE1 GLU A 54 -16.408 12.710 -14.188 1.00 0.00 O ATOM 756 OE2 GLU A 54 -16.567 14.302 -12.683 1.00 0.00 O ATOM 0 H GLU A 54 -12.042 10.789 -13.144 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.617 11.540 -10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.427 11.516 -13.526 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.269 10.231 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.554 11.671 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -15.228 12.776 -11.192 1.00 0.00 H new ATOM 763 N PRO A 55 -14.511 8.922 -10.724 1.00 0.00 N ATOM 764 CA PRO A 55 -14.565 7.524 -10.291 1.00 0.00 C ATOM 765 C PRO A 55 -14.622 6.558 -11.470 1.00 0.00 C ATOM 766 O PRO A 55 -15.000 6.937 -12.577 1.00 0.00 O ATOM 767 CB PRO A 55 -15.864 7.444 -9.469 1.00 0.00 C ATOM 768 CG PRO A 55 -16.321 8.858 -9.297 1.00 0.00 C ATOM 769 CD PRO A 55 -15.776 9.611 -10.473 1.00 0.00 C ATOM 0 HA PRO A 55 -13.676 7.240 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.618 6.849 -9.985 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -15.688 6.969 -8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -17.409 8.916 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -15.953 9.276 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -16.444 9.561 -11.333 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -15.626 10.667 -10.246 1.00 0.00 H new ATOM 777 N CYS A 56 -14.244 5.308 -11.222 1.00 0.00 N ATOM 778 CA CYS A 56 -14.253 4.287 -12.264 1.00 0.00 C ATOM 779 C CYS A 56 -15.593 3.562 -12.306 1.00 0.00 C ATOM 780 O CYS A 56 -16.528 3.924 -11.591 1.00 0.00 O ATOM 781 CB CYS A 56 -13.122 3.282 -12.034 1.00 0.00 C ATOM 782 SG CYS A 56 -11.636 3.996 -11.258 1.00 0.00 S ATOM 0 H CYS A 56 -13.928 4.978 -10.310 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.100 4.782 -13.223 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.493 2.472 -11.406 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -12.842 2.841 -12.991 1.00 0.00 H new ATOM 787 N VAL A 57 -15.680 2.541 -13.150 1.00 0.00 N ATOM 788 CA VAL A 57 -16.905 1.767 -13.289 1.00 0.00 C ATOM 789 C VAL A 57 -16.612 0.353 -13.775 1.00 0.00 C ATOM 790 O VAL A 57 -17.018 -0.036 -14.871 1.00 0.00 O ATOM 791 CB VAL A 57 -17.881 2.444 -14.269 1.00 0.00 C ATOM 792 CG1 VAL A 57 -19.316 2.045 -13.957 1.00 0.00 C ATOM 793 CG2 VAL A 57 -17.717 3.956 -14.225 1.00 0.00 C ATOM 0 H VAL A 57 -14.915 2.230 -13.749 1.00 0.00 H new ATOM 0 HA VAL A 57 -17.364 1.717 -12.302 1.00 0.00 H new ATOM 0 HB VAL A 57 -17.647 2.105 -15.278 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -19.991 2.534 -14.660 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -19.420 0.964 -14.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -19.566 2.352 -12.941 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -18.414 4.418 -14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -17.922 4.315 -13.217 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.697 4.220 -14.503 1.00 0.00 H new ATOM 803 N LEU A 58 -15.901 -0.413 -12.954 1.00 0.00 N ATOM 804 CA LEU A 58 -15.551 -1.787 -13.300 1.00 0.00 C ATOM 805 C LEU A 58 -16.554 -2.769 -12.702 1.00 0.00 C ATOM 806 O LEU A 58 -17.495 -2.366 -12.016 1.00 0.00 O ATOM 807 CB LEU A 58 -14.140 -2.112 -12.806 1.00 0.00 C ATOM 808 CG LEU A 58 -13.378 -0.931 -12.200 1.00 0.00 C ATOM 809 CD1 LEU A 58 -13.576 -0.885 -10.693 1.00 0.00 C ATOM 810 CD2 LEU A 58 -11.899 -1.018 -12.545 1.00 0.00 C ATOM 0 H LEU A 58 -15.556 -0.106 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.580 -1.884 -14.385 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.206 -2.904 -12.060 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.562 -2.508 -13.641 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.775 -0.009 -12.625 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.027 -0.039 -10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.637 -0.774 -10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.206 -1.809 -10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.373 -0.170 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.487 -1.946 -12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.776 -1.000 -13.628 1.00 0.00 H new ATOM 822 N PRO A 59 -16.370 -4.075 -12.955 1.00 0.00 N ATOM 823 CA PRO A 59 -15.259 -4.588 -13.767 1.00 0.00 C ATOM 824 C PRO A 59 -15.271 -4.029 -15.187 1.00 0.00 C ATOM 825 O PRO A 59 -16.333 -3.769 -15.752 1.00 0.00 O ATOM 826 CB PRO A 59 -15.495 -6.103 -13.794 1.00 0.00 C ATOM 827 CG PRO A 59 -16.375 -6.378 -12.623 1.00 0.00 C ATOM 828 CD PRO A 59 -17.235 -5.158 -12.461 1.00 0.00 C ATOM 0 HA PRO A 59 -14.293 -4.302 -13.351 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.970 -6.412 -14.725 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.555 -6.650 -13.718 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.984 -7.266 -12.792 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.785 -6.562 -11.725 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -18.156 -5.234 -13.039 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.523 -5.002 -11.421 1.00 0.00 H new ATOM 836 N PHE A 60 -14.084 -3.847 -15.755 1.00 0.00 N ATOM 837 CA PHE A 60 -13.958 -3.318 -17.108 1.00 0.00 C ATOM 838 C PHE A 60 -12.858 -4.044 -17.876 1.00 0.00 C ATOM 839 O PHE A 60 -11.705 -4.076 -17.447 1.00 0.00 O ATOM 840 CB PHE A 60 -13.662 -1.818 -17.066 1.00 0.00 C ATOM 841 CG PHE A 60 -12.206 -1.497 -16.880 1.00 0.00 C ATOM 842 CD1 PHE A 60 -11.601 -1.654 -15.644 1.00 0.00 C ATOM 843 CD2 PHE A 60 -11.443 -1.040 -17.943 1.00 0.00 C ATOM 844 CE1 PHE A 60 -10.262 -1.360 -15.470 1.00 0.00 C ATOM 845 CE2 PHE A 60 -10.104 -0.744 -17.776 1.00 0.00 C ATOM 846 CZ PHE A 60 -9.512 -0.905 -16.538 1.00 0.00 C ATOM 0 H PHE A 60 -13.196 -4.058 -15.300 1.00 0.00 H new ATOM 0 HA PHE A 60 -14.904 -3.480 -17.624 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.011 -1.361 -17.992 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.232 -1.366 -16.254 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.182 -2.010 -14.807 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.901 -0.914 -18.913 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.802 -1.486 -14.501 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.521 -0.387 -18.612 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.465 -0.676 -16.405 1.00 0.00 H new ATOM 856 N THR A 61 -13.223 -4.625 -19.014 1.00 0.00 N ATOM 857 CA THR A 61 -12.271 -5.349 -19.841 1.00 0.00 C ATOM 858 C THR A 61 -11.569 -4.412 -20.818 1.00 0.00 C ATOM 859 O THR A 61 -12.120 -3.385 -21.213 1.00 0.00 O ATOM 860 CB THR A 61 -12.969 -6.469 -20.635 1.00 0.00 C ATOM 861 OG1 THR A 61 -14.226 -6.002 -21.137 1.00 0.00 O ATOM 862 CG2 THR A 61 -13.189 -7.696 -19.764 1.00 0.00 C ATOM 0 H THR A 61 -14.174 -4.607 -19.383 1.00 0.00 H new ATOM 0 HA THR A 61 -11.532 -5.788 -19.171 1.00 0.00 H new ATOM 0 HB THR A 61 -12.325 -6.748 -21.469 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.663 -6.719 -21.642 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.683 -8.473 -20.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.228 -8.066 -19.408 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.814 -7.430 -18.911 1.00 0.00 H new ATOM 870 N TYR A 62 -10.349 -4.772 -21.206 1.00 0.00 N ATOM 871 CA TYR A 62 -9.575 -3.959 -22.139 1.00 0.00 C ATOM 872 C TYR A 62 -8.437 -4.769 -22.755 1.00 0.00 C ATOM 873 O TYR A 62 -7.654 -5.401 -22.047 1.00 0.00 O ATOM 874 CB TYR A 62 -9.015 -2.722 -21.434 1.00 0.00 C ATOM 875 CG TYR A 62 -7.894 -2.048 -22.191 1.00 0.00 C ATOM 876 CD1 TYR A 62 -6.594 -2.535 -22.124 1.00 0.00 C ATOM 877 CD2 TYR A 62 -8.135 -0.927 -22.971 1.00 0.00 C ATOM 878 CE1 TYR A 62 -5.567 -1.921 -22.815 1.00 0.00 C ATOM 879 CE2 TYR A 62 -7.115 -0.307 -23.665 1.00 0.00 C ATOM 880 CZ TYR A 62 -5.833 -0.807 -23.583 1.00 0.00 C ATOM 881 OH TYR A 62 -4.813 -0.192 -24.273 1.00 0.00 O ATOM 0 H TYR A 62 -9.876 -5.619 -20.890 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.242 -3.639 -22.939 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.822 -2.005 -21.282 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -8.654 -3.010 -20.447 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.383 -3.407 -21.522 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.138 -0.532 -23.037 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.562 -2.311 -22.754 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.320 0.565 -24.269 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.168 0.577 -24.766 1.00 0.00 H new ATOM 891 N ASN A 63 -8.360 -4.748 -24.084 1.00 0.00 N ATOM 892 CA ASN A 63 -7.323 -5.475 -24.813 1.00 0.00 C ATOM 893 C ASN A 63 -7.617 -6.978 -24.872 1.00 0.00 C ATOM 894 O ASN A 63 -6.967 -7.714 -25.614 1.00 0.00 O ATOM 895 CB ASN A 63 -5.948 -5.221 -24.180 1.00 0.00 C ATOM 896 CG ASN A 63 -5.538 -6.290 -23.181 1.00 0.00 C ATOM 897 OD1 ASN A 63 -5.492 -7.476 -23.508 1.00 0.00 O ATOM 898 ND2 ASN A 63 -5.240 -5.872 -21.957 1.00 0.00 N ATOM 0 H ASN A 63 -9.007 -4.232 -24.681 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.316 -5.102 -25.837 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.198 -5.164 -24.969 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.959 -4.252 -23.680 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.959 -6.544 -21.243 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.292 -4.879 -21.731 1.00 0.00 H new ATOM 905 N GLY A 64 -8.591 -7.428 -24.087 1.00 0.00 N ATOM 906 CA GLY A 64 -8.935 -8.836 -24.069 1.00 0.00 C ATOM 907 C GLY A 64 -8.921 -9.405 -22.666 1.00 0.00 C ATOM 908 O GLY A 64 -9.206 -10.585 -22.463 1.00 0.00 O ATOM 0 H GLY A 64 -9.147 -6.842 -23.464 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.924 -8.973 -24.506 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.232 -9.389 -24.692 1.00 0.00 H new ATOM 912 N ARG A 65 -8.585 -8.562 -21.695 1.00 0.00 N ATOM 913 CA ARG A 65 -8.532 -8.984 -20.301 1.00 0.00 C ATOM 914 C ARG A 65 -9.576 -8.232 -19.476 1.00 0.00 C ATOM 915 O ARG A 65 -9.917 -7.089 -19.783 1.00 0.00 O ATOM 916 CB ARG A 65 -7.112 -8.766 -19.745 1.00 0.00 C ATOM 917 CG ARG A 65 -7.028 -7.855 -18.530 1.00 0.00 C ATOM 918 CD ARG A 65 -7.274 -8.618 -17.239 1.00 0.00 C ATOM 919 NE ARG A 65 -6.188 -9.548 -16.938 1.00 0.00 N ATOM 920 CZ ARG A 65 -6.326 -10.610 -16.152 1.00 0.00 C ATOM 921 NH1 ARG A 65 -7.497 -10.876 -15.590 1.00 0.00 N ATOM 922 NH2 ARG A 65 -5.292 -11.409 -15.927 1.00 0.00 N ATOM 0 H ARG A 65 -8.345 -7.582 -21.848 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.765 -10.047 -20.237 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.688 -9.735 -19.483 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.489 -8.349 -20.536 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.045 -7.386 -18.494 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.761 -7.053 -18.625 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.385 -7.912 -16.416 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.212 -9.168 -17.316 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.274 -9.372 -17.354 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.295 -10.264 -15.761 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.600 -11.692 -14.987 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.389 -11.208 -16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.399 -12.224 -15.323 1.00 0.00 H new ATOM 936 N THR A 66 -10.075 -8.876 -18.428 1.00 0.00 N ATOM 937 CA THR A 66 -11.076 -8.263 -17.564 1.00 0.00 C ATOM 938 C THR A 66 -10.434 -7.682 -16.309 1.00 0.00 C ATOM 939 O THR A 66 -10.047 -8.416 -15.399 1.00 0.00 O ATOM 940 CB THR A 66 -12.159 -9.276 -17.150 1.00 0.00 C ATOM 941 OG1 THR A 66 -12.666 -9.954 -18.306 1.00 0.00 O ATOM 942 CG2 THR A 66 -13.302 -8.580 -16.425 1.00 0.00 C ATOM 0 H THR A 66 -9.803 -9.821 -18.156 1.00 0.00 H new ATOM 0 HA THR A 66 -11.541 -7.461 -18.138 1.00 0.00 H new ATOM 0 HB THR A 66 -11.706 -10.001 -16.474 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.353 -10.597 -18.033 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.055 -9.316 -16.142 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.920 -8.089 -15.530 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.751 -7.836 -17.083 1.00 0.00 H new ATOM 950 N PHE A 67 -10.322 -6.358 -16.267 1.00 0.00 N ATOM 951 CA PHE A 67 -9.726 -5.677 -15.123 1.00 0.00 C ATOM 952 C PHE A 67 -10.792 -5.275 -14.110 1.00 0.00 C ATOM 953 O PHE A 67 -11.651 -4.441 -14.394 1.00 0.00 O ATOM 954 CB PHE A 67 -8.955 -4.439 -15.586 1.00 0.00 C ATOM 955 CG PHE A 67 -8.124 -4.674 -16.815 1.00 0.00 C ATOM 956 CD1 PHE A 67 -8.701 -4.636 -18.074 1.00 0.00 C ATOM 957 CD2 PHE A 67 -6.767 -4.935 -16.711 1.00 0.00 C ATOM 958 CE1 PHE A 67 -7.940 -4.853 -19.207 1.00 0.00 C ATOM 959 CE2 PHE A 67 -6.001 -5.153 -17.841 1.00 0.00 C ATOM 960 CZ PHE A 67 -6.589 -5.112 -19.089 1.00 0.00 C ATOM 0 H PHE A 67 -10.636 -5.736 -17.012 1.00 0.00 H new ATOM 0 HA PHE A 67 -9.036 -6.369 -14.640 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -9.662 -3.634 -15.784 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.306 -4.102 -14.778 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.758 -4.434 -18.171 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.303 -4.968 -15.736 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.401 -4.820 -20.183 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.944 -5.355 -17.747 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.992 -5.282 -19.973 1.00 0.00 H new ATOM 970 N TYR A 68 -10.730 -5.875 -12.925 1.00 0.00 N ATOM 971 CA TYR A 68 -11.689 -5.578 -11.868 1.00 0.00 C ATOM 972 C TYR A 68 -11.257 -4.352 -11.069 1.00 0.00 C ATOM 973 O TYR A 68 -11.806 -4.067 -10.005 1.00 0.00 O ATOM 974 CB TYR A 68 -11.840 -6.781 -10.934 1.00 0.00 C ATOM 975 CG TYR A 68 -12.515 -7.970 -11.581 1.00 0.00 C ATOM 976 CD1 TYR A 68 -11.838 -8.761 -12.501 1.00 0.00 C ATOM 977 CD2 TYR A 68 -13.828 -8.301 -11.271 1.00 0.00 C ATOM 978 CE1 TYR A 68 -12.451 -9.848 -13.094 1.00 0.00 C ATOM 979 CE2 TYR A 68 -14.447 -9.387 -11.860 1.00 0.00 C ATOM 980 CZ TYR A 68 -13.756 -10.157 -12.770 1.00 0.00 C ATOM 981 OH TYR A 68 -14.369 -11.239 -13.358 1.00 0.00 O ATOM 0 H TYR A 68 -10.026 -6.569 -12.673 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.651 -5.365 -12.335 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.854 -7.082 -10.581 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.414 -6.480 -10.058 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.816 -8.522 -12.757 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.374 -7.700 -10.558 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.911 -10.453 -13.808 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.468 -9.631 -11.608 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.286 -11.319 -13.021 1.00 0.00 H new ATOM 991 N SER A 69 -10.271 -3.630 -11.592 1.00 0.00 N ATOM 992 CA SER A 69 -9.764 -2.435 -10.929 1.00 0.00 C ATOM 993 C SER A 69 -8.754 -1.712 -11.814 1.00 0.00 C ATOM 994 O SER A 69 -8.416 -2.183 -12.900 1.00 0.00 O ATOM 995 CB SER A 69 -9.118 -2.801 -9.592 1.00 0.00 C ATOM 996 OG SER A 69 -8.704 -1.642 -8.889 1.00 0.00 O ATOM 0 H SER A 69 -9.808 -3.852 -12.473 1.00 0.00 H new ATOM 0 HA SER A 69 -10.605 -1.767 -10.745 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.827 -3.364 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.260 -3.450 -9.765 1.00 0.00 H new ATOM 0 HG SER A 69 -8.296 -1.904 -8.037 1.00 0.00 H new ATOM 1002 N CYS A 70 -8.274 -0.565 -11.342 1.00 0.00 N ATOM 1003 CA CYS A 70 -7.302 0.222 -12.092 1.00 0.00 C ATOM 1004 C CYS A 70 -6.234 -0.678 -12.706 1.00 0.00 C ATOM 1005 O CYS A 70 -6.156 -1.867 -12.399 1.00 0.00 O ATOM 1006 CB CYS A 70 -6.648 1.264 -11.184 1.00 0.00 C ATOM 1007 SG CYS A 70 -7.744 2.645 -10.727 1.00 0.00 S ATOM 0 H CYS A 70 -8.542 -0.161 -10.445 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.829 0.734 -12.898 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.303 0.772 -10.275 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -5.766 1.664 -11.685 1.00 0.00 H new ATOM 1012 N THR A 71 -5.411 -0.100 -13.576 1.00 0.00 N ATOM 1013 CA THR A 71 -4.347 -0.848 -14.235 1.00 0.00 C ATOM 1014 C THR A 71 -3.378 0.089 -14.950 1.00 0.00 C ATOM 1015 O THR A 71 -3.674 1.267 -15.149 1.00 0.00 O ATOM 1016 CB THR A 71 -4.912 -1.856 -15.253 1.00 0.00 C ATOM 1017 OG1 THR A 71 -3.841 -2.545 -15.908 1.00 0.00 O ATOM 1018 CG2 THR A 71 -5.776 -1.150 -16.288 1.00 0.00 C ATOM 0 H THR A 71 -5.461 0.884 -13.841 1.00 0.00 H new ATOM 0 HA THR A 71 -3.815 -1.392 -13.454 1.00 0.00 H new ATOM 0 HB THR A 71 -5.530 -2.575 -14.715 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.209 -3.185 -16.552 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.165 -1.881 -16.997 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.607 -0.651 -15.789 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.176 -0.412 -16.820 1.00 0.00 H new ATOM 1026 N THR A 72 -2.223 -0.443 -15.334 1.00 0.00 N ATOM 1027 CA THR A 72 -1.212 0.346 -16.027 1.00 0.00 C ATOM 1028 C THR A 72 -1.104 -0.064 -17.491 1.00 0.00 C ATOM 1029 O THR A 72 -0.174 0.338 -18.191 1.00 0.00 O ATOM 1030 CB THR A 72 0.170 0.200 -15.362 1.00 0.00 C ATOM 1031 OG1 THR A 72 0.288 -1.093 -14.756 1.00 0.00 O ATOM 1032 CG2 THR A 72 0.381 1.278 -14.311 1.00 0.00 C ATOM 0 H THR A 72 -1.964 -1.417 -15.177 1.00 0.00 H new ATOM 0 HA THR A 72 -1.528 1.387 -15.965 1.00 0.00 H new ATOM 0 HB THR A 72 0.933 0.311 -16.133 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.170 -1.179 -14.337 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.363 1.154 -13.855 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.319 2.260 -14.780 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.388 1.193 -13.543 1.00 0.00 H new ATOM 1040 N GLU A 73 -2.059 -0.867 -17.948 1.00 0.00 N ATOM 1041 CA GLU A 73 -2.071 -1.331 -19.331 1.00 0.00 C ATOM 1042 C GLU A 73 -2.510 -0.216 -20.275 1.00 0.00 C ATOM 1043 O GLU A 73 -3.699 0.076 -20.397 1.00 0.00 O ATOM 1044 CB GLU A 73 -3.002 -2.536 -19.478 1.00 0.00 C ATOM 1045 CG GLU A 73 -2.266 -3.857 -19.637 1.00 0.00 C ATOM 1046 CD GLU A 73 -0.933 -3.871 -18.916 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -0.879 -3.411 -17.756 1.00 0.00 O ATOM 1048 OE2 GLU A 73 0.059 -4.344 -19.512 1.00 0.00 O ATOM 0 H GLU A 73 -2.835 -1.210 -17.381 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.057 -1.629 -19.597 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.650 -2.593 -18.603 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.647 -2.383 -20.343 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.890 -4.665 -19.255 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.104 -4.053 -20.697 1.00 0.00 H new ATOM 1055 N GLY A 74 -1.541 0.403 -20.943 1.00 0.00 N ATOM 1056 CA GLY A 74 -1.848 1.477 -21.868 1.00 0.00 C ATOM 1057 C GLY A 74 -1.197 2.788 -21.470 1.00 0.00 C ATOM 1058 O GLY A 74 -0.669 3.508 -22.318 1.00 0.00 O ATOM 0 H GLY A 74 -0.549 0.179 -20.860 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.515 1.198 -22.868 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.928 1.612 -21.918 1.00 0.00 H new ATOM 1062 N ARG A 75 -1.234 3.098 -20.179 1.00 0.00 N ATOM 1063 CA ARG A 75 -0.642 4.330 -19.671 1.00 0.00 C ATOM 1064 C ARG A 75 0.878 4.228 -19.633 1.00 0.00 C ATOM 1065 O ARG A 75 1.434 3.145 -19.446 1.00 0.00 O ATOM 1066 CB ARG A 75 -1.179 4.640 -18.273 1.00 0.00 C ATOM 1067 CG ARG A 75 -2.657 4.996 -18.255 1.00 0.00 C ATOM 1068 CD ARG A 75 -2.994 6.040 -19.308 1.00 0.00 C ATOM 1069 NE ARG A 75 -1.879 6.950 -19.552 1.00 0.00 N ATOM 1070 CZ ARG A 75 -1.814 7.769 -20.597 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -2.795 7.790 -21.489 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -0.768 8.569 -20.751 1.00 0.00 N ATOM 0 H ARG A 75 -1.668 2.513 -19.465 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.917 5.140 -20.346 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.014 3.776 -17.629 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.609 5.467 -17.849 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.250 4.098 -18.429 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.929 5.372 -17.269 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.266 5.542 -20.239 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.865 6.611 -18.986 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.108 6.958 -18.884 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.602 7.177 -21.374 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.743 8.419 -22.290 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.011 8.557 -20.067 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.720 9.197 -21.553 1.00 0.00 H new ATOM 1086 N GLN A 76 1.548 5.362 -19.812 1.00 0.00 N ATOM 1087 CA GLN A 76 3.006 5.399 -19.798 1.00 0.00 C ATOM 1088 C GLN A 76 3.511 6.601 -19.006 1.00 0.00 C ATOM 1089 O GLN A 76 4.406 7.320 -19.452 1.00 0.00 O ATOM 1090 CB GLN A 76 3.549 5.451 -21.227 1.00 0.00 C ATOM 1091 CG GLN A 76 2.527 5.055 -22.281 1.00 0.00 C ATOM 1092 CD GLN A 76 3.088 5.115 -23.688 1.00 0.00 C ATOM 1093 OE1 GLN A 76 3.021 4.141 -24.437 1.00 0.00 O ATOM 1094 NE2 GLN A 76 3.648 6.262 -24.054 1.00 0.00 N ATOM 0 H GLN A 76 1.105 6.267 -19.968 1.00 0.00 H new ATOM 0 HA GLN A 76 3.364 4.490 -19.314 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.902 6.461 -21.436 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.412 4.790 -21.303 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.174 4.044 -22.077 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.663 5.715 -22.210 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.682 7.044 -23.400 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.044 6.361 -24.989 1.00 0.00 H new ATOM 1103 N ASP A 77 2.934 6.812 -17.827 1.00 0.00 N ATOM 1104 CA ASP A 77 3.327 7.927 -16.973 1.00 0.00 C ATOM 1105 C ASP A 77 3.462 7.478 -15.521 1.00 0.00 C ATOM 1106 O ASP A 77 3.573 8.303 -14.614 1.00 0.00 O ATOM 1107 CB ASP A 77 2.306 9.061 -17.075 1.00 0.00 C ATOM 1108 CG ASP A 77 1.495 8.998 -18.355 1.00 0.00 C ATOM 1109 OD1 ASP A 77 0.924 7.925 -18.644 1.00 0.00 O ATOM 1110 OD2 ASP A 77 1.432 10.021 -19.068 1.00 0.00 O ATOM 0 H ASP A 77 2.193 6.226 -17.442 1.00 0.00 H new ATOM 0 HA ASP A 77 4.296 8.289 -17.315 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.632 9.017 -16.219 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.825 10.018 -17.024 1.00 0.00 H new ATOM 1115 N GLY A 78 3.452 6.166 -15.309 1.00 0.00 N ATOM 1116 CA GLY A 78 3.574 5.632 -13.966 1.00 0.00 C ATOM 1117 C GLY A 78 2.257 5.647 -13.213 1.00 0.00 C ATOM 1118 O GLY A 78 2.145 5.068 -12.134 1.00 0.00 O ATOM 0 H GLY A 78 3.362 5.464 -16.043 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.948 4.609 -14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.312 6.213 -13.413 1.00 0.00 H new ATOM 1122 N HIS A 79 1.260 6.314 -13.785 1.00 0.00 N ATOM 1123 CA HIS A 79 -0.055 6.405 -13.162 1.00 0.00 C ATOM 1124 C HIS A 79 -1.023 5.407 -13.789 1.00 0.00 C ATOM 1125 O HIS A 79 -1.181 5.362 -15.009 1.00 0.00 O ATOM 1126 CB HIS A 79 -0.610 7.824 -13.295 1.00 0.00 C ATOM 1127 CG HIS A 79 0.204 8.855 -12.576 1.00 0.00 C ATOM 1128 ND1 HIS A 79 0.615 8.712 -11.268 1.00 0.00 N ATOM 1129 CD2 HIS A 79 0.686 10.051 -12.991 1.00 0.00 C ATOM 1130 CE1 HIS A 79 1.313 9.775 -10.909 1.00 0.00 C ATOM 1131 NE2 HIS A 79 1.370 10.602 -11.936 1.00 0.00 N ATOM 0 H HIS A 79 1.338 6.799 -14.679 1.00 0.00 H new ATOM 0 HA HIS A 79 0.054 6.164 -12.105 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.663 8.087 -14.351 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.629 7.844 -12.910 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.556 10.489 -13.969 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.761 9.939 -9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.845 11.504 -11.944 1.00 0.00 H new ATOM 1140 N LEU A 80 -1.670 4.608 -12.946 1.00 0.00 N ATOM 1141 CA LEU A 80 -2.624 3.611 -13.418 1.00 0.00 C ATOM 1142 C LEU A 80 -3.876 4.277 -13.978 1.00 0.00 C ATOM 1143 O LEU A 80 -4.033 5.495 -13.896 1.00 0.00 O ATOM 1144 CB LEU A 80 -3.005 2.661 -12.281 1.00 0.00 C ATOM 1145 CG LEU A 80 -1.873 1.759 -11.785 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -1.115 2.430 -10.652 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -2.422 0.412 -11.339 1.00 0.00 C ATOM 0 H LEU A 80 -1.551 4.632 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.149 3.041 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.373 3.252 -11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.831 2.032 -12.614 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.179 1.591 -12.609 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.314 1.774 -10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.690 3.370 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.797 2.628 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.603 -0.217 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.137 0.560 -10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.920 -0.074 -12.178 1.00 0.00 H new ATOM 1159 N TRP A 81 -4.765 3.470 -14.547 1.00 0.00 N ATOM 1160 CA TRP A 81 -6.005 3.979 -15.121 1.00 0.00 C ATOM 1161 C TRP A 81 -7.152 3.004 -14.880 1.00 0.00 C ATOM 1162 O TRP A 81 -6.933 1.853 -14.501 1.00 0.00 O ATOM 1163 CB TRP A 81 -5.834 4.228 -16.620 1.00 0.00 C ATOM 1164 CG TRP A 81 -5.513 2.989 -17.397 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -4.327 2.312 -17.409 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -6.391 2.277 -18.276 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -4.414 1.223 -18.243 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -5.671 1.180 -18.787 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -7.716 2.460 -18.681 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -6.232 0.271 -19.680 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -8.272 1.558 -19.569 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -7.531 0.475 -20.059 1.00 0.00 C ATOM 0 H TRP A 81 -4.650 2.459 -14.623 1.00 0.00 H new ATOM 0 HA TRP A 81 -6.245 4.923 -14.631 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -6.750 4.668 -17.014 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -5.039 4.958 -16.771 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.449 2.591 -16.846 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -3.665 0.556 -18.427 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -8.295 3.291 -18.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -5.663 -0.565 -20.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -9.295 1.691 -19.890 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.994 -0.213 -20.750 1.00 0.00 H new ATOM 1183 N CYS A 82 -8.376 3.470 -15.102 1.00 0.00 N ATOM 1184 CA CYS A 82 -9.557 2.636 -14.906 1.00 0.00 C ATOM 1185 C CYS A 82 -10.703 3.094 -15.802 1.00 0.00 C ATOM 1186 O CYS A 82 -10.750 4.248 -16.226 1.00 0.00 O ATOM 1187 CB CYS A 82 -9.995 2.672 -13.441 1.00 0.00 C ATOM 1188 SG CYS A 82 -10.391 4.340 -12.825 1.00 0.00 S ATOM 0 H CYS A 82 -8.577 4.419 -15.417 1.00 0.00 H new ATOM 0 HA CYS A 82 -9.296 1.613 -15.176 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.870 2.034 -13.319 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -9.202 2.247 -12.825 1.00 0.00 H new ATOM 1193 N SER A 83 -11.627 2.181 -16.084 1.00 0.00 N ATOM 1194 CA SER A 83 -12.775 2.491 -16.928 1.00 0.00 C ATOM 1195 C SER A 83 -13.802 3.320 -16.163 1.00 0.00 C ATOM 1196 O SER A 83 -14.278 2.912 -15.104 1.00 0.00 O ATOM 1197 CB SER A 83 -13.421 1.203 -17.440 1.00 0.00 C ATOM 1198 OG SER A 83 -14.745 1.439 -17.888 1.00 0.00 O ATOM 0 H SER A 83 -11.603 1.221 -15.740 1.00 0.00 H new ATOM 0 HA SER A 83 -12.423 3.075 -17.779 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.825 0.793 -18.256 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.430 0.457 -16.646 1.00 0.00 H new ATOM 0 HG SER A 83 -15.343 0.760 -17.512 1.00 0.00 H new ATOM 1204 N THR A 84 -14.138 4.484 -16.706 1.00 0.00 N ATOM 1205 CA THR A 84 -15.108 5.370 -16.074 1.00 0.00 C ATOM 1206 C THR A 84 -16.527 5.046 -16.526 1.00 0.00 C ATOM 1207 O THR A 84 -17.417 5.894 -16.463 1.00 0.00 O ATOM 1208 CB THR A 84 -14.806 6.847 -16.386 1.00 0.00 C ATOM 1209 OG1 THR A 84 -14.395 6.987 -17.751 1.00 0.00 O ATOM 1210 CG2 THR A 84 -13.718 7.381 -15.467 1.00 0.00 C ATOM 0 H THR A 84 -13.753 4.836 -17.582 1.00 0.00 H new ATOM 0 HA THR A 84 -15.028 5.210 -14.999 1.00 0.00 H new ATOM 0 HB THR A 84 -15.716 7.424 -16.221 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.857 7.800 -17.849 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.521 8.426 -15.705 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.045 7.301 -14.430 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.807 6.799 -15.606 1.00 0.00 H new ATOM 1218 N THR A 85 -16.732 3.814 -16.980 1.00 0.00 N ATOM 1219 CA THR A 85 -18.045 3.380 -17.441 1.00 0.00 C ATOM 1220 C THR A 85 -18.096 1.866 -17.612 1.00 0.00 C ATOM 1221 O THR A 85 -17.266 1.282 -18.309 1.00 0.00 O ATOM 1222 CB THR A 85 -18.423 4.049 -18.775 1.00 0.00 C ATOM 1223 OG1 THR A 85 -17.265 4.166 -19.611 1.00 0.00 O ATOM 1224 CG2 THR A 85 -19.024 5.426 -18.536 1.00 0.00 C ATOM 0 H THR A 85 -16.006 3.099 -17.038 1.00 0.00 H new ATOM 0 HA THR A 85 -18.762 3.681 -16.677 1.00 0.00 H new ATOM 0 HB THR A 85 -19.166 3.426 -19.272 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.527 4.059 -20.549 1.00 0.00 H new ATOM 0 HG21 THR A 85 -19.284 5.881 -19.492 1.00 0.00 H new ATOM 0 HG22 THR A 85 -19.921 5.330 -17.924 1.00 0.00 H new ATOM 0 HG23 THR A 85 -18.298 6.055 -18.020 1.00 0.00 H new ATOM 1232 N SER A 86 -19.076 1.236 -16.973 1.00 0.00 N ATOM 1233 CA SER A 86 -19.236 -0.212 -17.054 1.00 0.00 C ATOM 1234 C SER A 86 -18.876 -0.721 -18.446 1.00 0.00 C ATOM 1235 O SER A 86 -18.320 -1.808 -18.596 1.00 0.00 O ATOM 1236 CB SER A 86 -20.672 -0.607 -16.709 1.00 0.00 C ATOM 1237 OG SER A 86 -21.414 -0.908 -17.878 1.00 0.00 O ATOM 0 H SER A 86 -19.772 1.705 -16.393 1.00 0.00 H new ATOM 0 HA SER A 86 -18.558 -0.669 -16.333 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.665 -1.472 -16.046 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.156 0.206 -16.167 1.00 0.00 H new ATOM 0 HG SER A 86 -22.328 -1.159 -17.630 1.00 0.00 H new ATOM 1243 N ASN A 87 -19.197 0.074 -19.462 1.00 0.00 N ATOM 1244 CA ASN A 87 -18.908 -0.294 -20.842 1.00 0.00 C ATOM 1245 C ASN A 87 -17.844 0.622 -21.437 1.00 0.00 C ATOM 1246 O ASN A 87 -18.137 1.458 -22.293 1.00 0.00 O ATOM 1247 CB ASN A 87 -20.181 -0.233 -21.687 1.00 0.00 C ATOM 1248 CG ASN A 87 -21.021 0.991 -21.379 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -22.174 0.879 -20.964 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -20.445 2.170 -21.584 1.00 0.00 N ATOM 0 H ASN A 87 -19.658 0.978 -19.354 1.00 0.00 H new ATOM 0 HA ASN A 87 -18.527 -1.315 -20.847 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -19.913 -0.230 -22.743 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -20.774 -1.131 -21.511 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -20.961 3.029 -21.396 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.486 2.216 -21.929 1.00 0.00 H new ATOM 1257 N TYR A 88 -16.607 0.459 -20.978 1.00 0.00 N ATOM 1258 CA TYR A 88 -15.496 1.271 -21.463 1.00 0.00 C ATOM 1259 C TYR A 88 -15.406 1.219 -22.985 1.00 0.00 C ATOM 1260 O TYR A 88 -15.205 2.240 -23.640 1.00 0.00 O ATOM 1261 CB TYR A 88 -14.181 0.792 -20.840 1.00 0.00 C ATOM 1262 CG TYR A 88 -12.955 1.123 -21.663 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -12.396 2.394 -21.629 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -12.362 0.166 -22.476 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -11.278 2.700 -22.382 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -11.244 0.464 -23.231 1.00 0.00 C ATOM 1267 CZ TYR A 88 -10.705 1.733 -23.181 1.00 0.00 C ATOM 1268 OH TYR A 88 -9.592 2.035 -23.931 1.00 0.00 O ATOM 0 H TYR A 88 -16.349 -0.229 -20.270 1.00 0.00 H new ATOM 0 HA TYR A 88 -15.674 2.305 -21.167 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.075 1.239 -19.852 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.230 -0.288 -20.698 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -12.842 3.155 -21.005 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.782 -0.828 -22.519 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.855 3.693 -22.345 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.794 -0.292 -23.857 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.943 1.304 -23.863 1.00 0.00 H new ATOM 1278 N GLU A 89 -15.554 0.021 -23.541 1.00 0.00 N ATOM 1279 CA GLU A 89 -15.485 -0.166 -24.984 1.00 0.00 C ATOM 1280 C GLU A 89 -16.697 0.449 -25.681 1.00 0.00 C ATOM 1281 O GLU A 89 -16.777 0.456 -26.910 1.00 0.00 O ATOM 1282 CB GLU A 89 -15.391 -1.655 -25.321 1.00 0.00 C ATOM 1283 CG GLU A 89 -16.204 -2.542 -24.393 1.00 0.00 C ATOM 1284 CD GLU A 89 -16.918 -3.658 -25.130 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -16.868 -3.672 -26.378 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -17.529 -4.517 -24.460 1.00 0.00 O ATOM 0 H GLU A 89 -15.723 -0.835 -23.013 1.00 0.00 H new ATOM 0 HA GLU A 89 -14.590 0.342 -25.344 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.729 -1.809 -26.346 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.346 -1.963 -25.281 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.545 -2.973 -23.639 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.938 -1.933 -23.865 1.00 0.00 H new ATOM 1293 N GLN A 90 -17.637 0.960 -24.893 1.00 0.00 N ATOM 1294 CA GLN A 90 -18.843 1.571 -25.444 1.00 0.00 C ATOM 1295 C GLN A 90 -18.727 3.092 -25.471 1.00 0.00 C ATOM 1296 O GLN A 90 -18.911 3.718 -26.515 1.00 0.00 O ATOM 1297 CB GLN A 90 -20.067 1.157 -24.626 1.00 0.00 C ATOM 1298 CG GLN A 90 -21.364 1.780 -25.115 1.00 0.00 C ATOM 1299 CD GLN A 90 -21.853 1.167 -26.413 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -21.315 1.442 -27.484 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -22.879 0.329 -26.321 1.00 0.00 N ATOM 0 H GLN A 90 -17.588 0.964 -23.874 1.00 0.00 H new ATOM 0 HA GLN A 90 -18.960 1.218 -26.469 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -20.162 0.071 -24.654 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -19.909 1.437 -23.584 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -22.131 1.661 -24.350 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -21.218 2.851 -25.256 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -23.295 0.130 -25.411 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -23.251 -0.115 -27.160 1.00 0.00 H new ATOM 1310 N ASP A 91 -18.427 3.682 -24.318 1.00 0.00 N ATOM 1311 CA ASP A 91 -18.295 5.132 -24.215 1.00 0.00 C ATOM 1312 C ASP A 91 -16.835 5.542 -24.048 1.00 0.00 C ATOM 1313 O ASP A 91 -16.538 6.686 -23.702 1.00 0.00 O ATOM 1314 CB ASP A 91 -19.121 5.657 -23.040 1.00 0.00 C ATOM 1315 CG ASP A 91 -20.214 6.611 -23.481 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -20.430 6.741 -24.704 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -20.853 7.228 -22.604 1.00 0.00 O ATOM 0 H ASP A 91 -18.271 3.180 -23.444 1.00 0.00 H new ATOM 0 HA ASP A 91 -18.669 5.569 -25.141 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -19.569 4.816 -22.510 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -18.463 6.164 -22.335 1.00 0.00 H new ATOM 1322 N GLN A 92 -15.928 4.604 -24.295 1.00 0.00 N ATOM 1323 CA GLN A 92 -14.498 4.869 -24.171 1.00 0.00 C ATOM 1324 C GLN A 92 -14.228 5.806 -23.001 1.00 0.00 C ATOM 1325 O GLN A 92 -13.609 6.858 -23.161 1.00 0.00 O ATOM 1326 CB GLN A 92 -13.943 5.473 -25.465 1.00 0.00 C ATOM 1327 CG GLN A 92 -14.800 5.203 -26.692 1.00 0.00 C ATOM 1328 CD GLN A 92 -15.338 3.788 -26.731 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -14.628 2.869 -26.092 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 -16.383 3.524 -27.328 1.00 0.00 N flip ATOM 0 H GLN A 92 -16.157 3.652 -24.583 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.994 3.921 -23.986 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.841 6.551 -25.336 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.943 5.076 -25.639 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -15.634 5.905 -26.709 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.210 5.388 -27.590 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.898 4.263 -27.807 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.733 2.566 -27.344 1.00 0.00 H new ATOM 1339 N LYS A 93 -14.701 5.413 -21.824 1.00 0.00 N ATOM 1340 CA LYS A 93 -14.517 6.215 -20.619 1.00 0.00 C ATOM 1341 C LYS A 93 -13.451 5.606 -19.714 1.00 0.00 C ATOM 1342 O LYS A 93 -13.466 4.407 -19.440 1.00 0.00 O ATOM 1343 CB LYS A 93 -15.838 6.340 -19.859 1.00 0.00 C ATOM 1344 CG LYS A 93 -16.170 7.764 -19.445 1.00 0.00 C ATOM 1345 CD LYS A 93 -17.004 8.471 -20.501 1.00 0.00 C ATOM 1346 CE LYS A 93 -18.323 8.965 -19.931 1.00 0.00 C ATOM 1347 NZ LYS A 93 -18.121 9.982 -18.862 1.00 0.00 N ATOM 0 H LYS A 93 -15.215 4.544 -21.678 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.184 7.208 -20.922 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.644 5.955 -20.483 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.796 5.712 -18.969 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.712 7.752 -18.500 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.247 8.320 -19.276 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.443 9.314 -20.905 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.197 7.790 -21.330 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.926 9.394 -20.731 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.883 8.121 -19.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -18.995 10.532 -18.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.881 9.505 -17.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -17.346 10.620 -19.132 1.00 0.00 H new ATOM 1361 N TYR A 94 -12.527 6.443 -19.251 1.00 0.00 N ATOM 1362 CA TYR A 94 -11.454 5.987 -18.374 1.00 0.00 C ATOM 1363 C TYR A 94 -10.849 7.153 -17.599 1.00 0.00 C ATOM 1364 O TYR A 94 -11.200 8.311 -17.825 1.00 0.00 O ATOM 1365 CB TYR A 94 -10.366 5.283 -19.188 1.00 0.00 C ATOM 1366 CG TYR A 94 -9.567 6.220 -20.067 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -8.707 7.158 -19.512 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -9.673 6.164 -21.451 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -7.976 8.016 -20.311 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -8.944 7.017 -22.257 1.00 0.00 C ATOM 1371 CZ TYR A 94 -8.098 7.942 -21.683 1.00 0.00 C ATOM 1372 OH TYR A 94 -7.371 8.794 -22.482 1.00 0.00 O ATOM 0 H TYR A 94 -12.500 7.439 -19.468 1.00 0.00 H new ATOM 0 HA TYR A 94 -11.879 5.282 -17.660 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -9.687 4.771 -18.506 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.828 4.518 -19.812 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.608 7.218 -18.438 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.336 5.442 -21.904 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.312 8.741 -19.864 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.036 6.959 -23.332 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.572 8.610 -23.424 1.00 0.00 H new ATOM 1382 N SER A 95 -9.938 6.837 -16.684 1.00 0.00 N ATOM 1383 CA SER A 95 -9.282 7.857 -15.874 1.00 0.00 C ATOM 1384 C SER A 95 -8.045 7.289 -15.184 1.00 0.00 C ATOM 1385 O SER A 95 -8.046 6.145 -14.732 1.00 0.00 O ATOM 1386 CB SER A 95 -10.252 8.412 -14.829 1.00 0.00 C ATOM 1387 OG SER A 95 -11.454 8.857 -15.435 1.00 0.00 O ATOM 0 H SER A 95 -9.637 5.883 -16.485 1.00 0.00 H new ATOM 0 HA SER A 95 -8.970 8.666 -16.535 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.476 7.642 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.783 9.238 -14.295 1.00 0.00 H new ATOM 0 HG SER A 95 -11.256 9.228 -16.320 1.00 0.00 H new ATOM 1393 N PHE A 96 -6.992 8.097 -15.110 1.00 0.00 N ATOM 1394 CA PHE A 96 -5.748 7.672 -14.476 1.00 0.00 C ATOM 1395 C PHE A 96 -5.866 7.716 -12.957 1.00 0.00 C ATOM 1396 O PHE A 96 -6.279 8.724 -12.384 1.00 0.00 O ATOM 1397 CB PHE A 96 -4.591 8.561 -14.936 1.00 0.00 C ATOM 1398 CG PHE A 96 -4.759 9.084 -16.333 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -5.150 8.240 -17.359 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -4.528 10.420 -16.619 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -5.308 8.719 -18.646 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -4.685 10.905 -17.903 1.00 0.00 C ATOM 1403 CZ PHE A 96 -5.075 10.053 -18.918 1.00 0.00 C ATOM 0 H PHE A 96 -6.975 9.047 -15.480 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.550 6.643 -14.775 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.495 9.403 -14.250 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.662 7.994 -14.878 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.333 7.196 -17.151 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.222 11.090 -15.829 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.613 8.051 -19.438 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -4.503 11.949 -18.113 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.198 10.429 -19.923 1.00 0.00 H new ATOM 1413 N CYS A 97 -5.500 6.615 -12.308 1.00 0.00 N ATOM 1414 CA CYS A 97 -5.563 6.526 -10.855 1.00 0.00 C ATOM 1415 C CYS A 97 -4.204 6.821 -10.230 1.00 0.00 C ATOM 1416 O CYS A 97 -3.202 6.955 -10.933 1.00 0.00 O ATOM 1417 CB CYS A 97 -6.038 5.136 -10.428 1.00 0.00 C ATOM 1418 SG CYS A 97 -6.959 4.235 -11.716 1.00 0.00 S ATOM 0 H CYS A 97 -5.156 5.771 -12.767 1.00 0.00 H new ATOM 0 HA CYS A 97 -6.275 7.272 -10.503 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -5.172 4.543 -10.134 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -6.671 5.235 -9.546 1.00 0.00 H new ATOM 1423 N THR A 98 -4.176 6.917 -8.905 1.00 0.00 N ATOM 1424 CA THR A 98 -2.939 7.191 -8.186 1.00 0.00 C ATOM 1425 C THR A 98 -2.056 5.948 -8.130 1.00 0.00 C ATOM 1426 O THR A 98 -2.453 4.918 -7.586 1.00 0.00 O ATOM 1427 CB THR A 98 -3.216 7.675 -6.752 1.00 0.00 C ATOM 1428 OG1 THR A 98 -4.343 6.976 -6.207 1.00 0.00 O ATOM 1429 CG2 THR A 98 -3.483 9.172 -6.729 1.00 0.00 C ATOM 0 H THR A 98 -4.996 6.809 -8.308 1.00 0.00 H new ATOM 0 HA THR A 98 -2.422 7.981 -8.731 1.00 0.00 H new ATOM 0 HB THR A 98 -2.334 7.469 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.072 7.609 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.676 9.491 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.613 9.703 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.351 9.396 -7.349 1.00 0.00 H new ATOM 1481 N VAL A 102 2.139 0.152 -3.777 1.00 0.00 N ATOM 1482 CA VAL A 102 3.294 -0.179 -2.953 1.00 0.00 C ATOM 1483 C VAL A 102 2.863 -0.788 -1.623 1.00 0.00 C ATOM 1484 O VAL A 102 3.347 -0.396 -0.562 1.00 0.00 O ATOM 1485 CB VAL A 102 4.164 1.063 -2.677 1.00 0.00 C ATOM 1486 CG1 VAL A 102 5.566 0.651 -2.256 1.00 0.00 C ATOM 1487 CG2 VAL A 102 4.208 1.965 -3.901 1.00 0.00 C ATOM 0 HA VAL A 102 3.882 -0.908 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 102 3.716 1.624 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.165 1.541 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.511 0.049 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.028 0.066 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.827 2.837 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.631 1.416 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.198 2.289 -4.151 1.00 0.00 H new ATOM 1497 N LEU A 103 1.948 -1.749 -1.691 1.00 0.00 N ATOM 1498 CA LEU A 103 1.447 -2.414 -0.493 1.00 0.00 C ATOM 1499 C LEU A 103 0.897 -3.796 -0.829 1.00 0.00 C ATOM 1500 O LEU A 103 -0.158 -3.921 -1.451 1.00 0.00 O ATOM 1501 CB LEU A 103 0.359 -1.568 0.169 1.00 0.00 C ATOM 1502 CG LEU A 103 -0.726 -1.052 -0.780 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.046 -0.893 -0.043 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -0.301 0.266 -1.409 1.00 0.00 C ATOM 0 H LEU A 103 1.538 -2.085 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 103 2.279 -2.531 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.115 -2.161 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.830 -0.715 0.657 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.864 -1.783 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.806 -0.525 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.357 -1.857 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.923 -0.182 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.084 0.618 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.135 1.006 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.621 0.120 -1.972 1.00 0.00 H new ATOM 1516 N VAL A 104 1.619 -4.832 -0.415 1.00 0.00 N ATOM 1517 CA VAL A 104 1.201 -6.206 -0.674 1.00 0.00 C ATOM 1518 C VAL A 104 0.765 -6.891 0.617 1.00 0.00 C ATOM 1519 O VAL A 104 1.460 -6.831 1.626 1.00 0.00 O ATOM 1520 CB VAL A 104 2.341 -7.011 -1.338 1.00 0.00 C ATOM 1521 CG1 VAL A 104 3.686 -6.554 -0.810 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.169 -8.510 -1.135 1.00 0.00 C ATOM 0 H VAL A 104 2.495 -4.747 0.100 1.00 0.00 H new ATOM 0 HA VAL A 104 0.352 -6.173 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 104 2.298 -6.820 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.479 -7.130 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.823 -5.496 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.725 -6.707 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.991 -9.039 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.168 -8.735 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.224 -8.831 -1.574 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.391 -7.544 0.578 1.00 0.00 N ATOM 1533 CA GLN A 105 -0.912 -8.235 1.751 1.00 0.00 C ATOM 1534 C GLN A 105 -0.417 -9.677 1.797 1.00 0.00 C ATOM 1535 O GLN A 105 -0.956 -10.552 1.119 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.442 -8.208 1.746 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.038 -7.331 2.835 1.00 0.00 C ATOM 1538 CD GLN A 105 -2.839 -7.907 4.223 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -2.680 -9.117 4.388 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -2.848 -7.042 5.230 1.00 0.00 N ATOM 0 H GLN A 105 -0.983 -7.609 -0.250 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.549 -7.717 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.788 -7.853 0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.816 -9.225 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.584 -6.341 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.104 -7.202 2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.983 -6.048 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.720 -7.372 6.187 1.00 0.00 H new ATOM 1549 N THR A 106 0.613 -9.916 2.602 1.00 0.00 N ATOM 1550 CA THR A 106 1.183 -11.250 2.739 1.00 0.00 C ATOM 1551 C THR A 106 0.892 -11.835 4.117 1.00 0.00 C ATOM 1552 O THR A 106 0.556 -11.109 5.052 1.00 0.00 O ATOM 1553 CB THR A 106 2.708 -11.233 2.517 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.360 -10.628 3.639 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.060 -10.472 1.247 1.00 0.00 C ATOM 0 H THR A 106 1.070 -9.202 3.170 1.00 0.00 H new ATOM 0 HA THR A 106 0.716 -11.873 1.976 1.00 0.00 H new ATOM 0 HB THR A 106 3.050 -12.263 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.932 -9.770 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.141 -10.473 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.586 -10.953 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.705 -9.445 1.328 1.00 0.00 H new ATOM 1563 N ARG A 107 1.021 -13.152 4.235 1.00 0.00 N ATOM 1564 CA ARG A 107 0.771 -13.835 5.498 1.00 0.00 C ATOM 1565 C ARG A 107 1.552 -15.141 5.576 1.00 0.00 C ATOM 1566 O ARG A 107 1.743 -15.822 4.569 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.725 -14.110 5.667 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.315 -14.963 4.556 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.648 -14.410 4.077 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.961 -14.840 2.717 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.977 -14.358 2.009 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -4.772 -13.435 2.530 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -4.198 -14.800 0.778 1.00 0.00 N ATOM 0 H ARG A 107 1.297 -13.768 3.470 1.00 0.00 H new ATOM 0 HA ARG A 107 1.107 -13.184 6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.889 -14.608 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.258 -13.160 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.617 -15.007 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.451 -15.984 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.439 -14.736 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.624 -13.321 4.117 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.367 -15.549 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.605 -13.093 3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.551 -13.066 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.588 -15.511 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.978 -14.429 0.235 1.00 0.00 H new ATOM 1587 N GLY A 108 2.000 -15.487 6.779 1.00 0.00 N ATOM 1588 CA GLY A 108 2.755 -16.712 6.965 1.00 0.00 C ATOM 1589 C GLY A 108 4.227 -16.453 7.223 1.00 0.00 C ATOM 1590 O GLY A 108 4.862 -15.677 6.508 1.00 0.00 O ATOM 0 H GLY A 108 1.853 -14.941 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.335 -17.270 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.649 -17.338 6.079 1.00 0.00 H new ATOM 1594 N GLY A 109 4.769 -17.105 8.246 1.00 0.00 N ATOM 1595 CA GLY A 109 6.171 -16.928 8.578 1.00 0.00 C ATOM 1596 C GLY A 109 6.381 -15.925 9.695 1.00 0.00 C ATOM 1597 O GLY A 109 6.400 -16.290 10.870 1.00 0.00 O ATOM 0 H GLY A 109 4.263 -17.752 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.595 -17.888 8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.712 -16.598 7.691 1.00 0.00 H new ATOM 1601 N ASN A 110 6.537 -14.657 9.328 1.00 0.00 N ATOM 1602 CA ASN A 110 6.746 -13.598 10.308 1.00 0.00 C ATOM 1603 C ASN A 110 6.181 -12.273 9.805 1.00 0.00 C ATOM 1604 O ASN A 110 6.706 -11.205 10.119 1.00 0.00 O ATOM 1605 CB ASN A 110 8.236 -13.446 10.616 1.00 0.00 C ATOM 1606 CG ASN A 110 8.844 -14.719 11.173 1.00 0.00 C ATOM 1607 OD1 ASN A 110 8.931 -14.898 12.387 1.00 0.00 O ATOM 1608 ND2 ASN A 110 9.270 -15.609 10.285 1.00 0.00 N ATOM 0 H ASN A 110 6.523 -14.338 8.359 1.00 0.00 H new ATOM 0 HA ASN A 110 6.220 -13.874 11.222 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.765 -13.162 9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.375 -12.636 11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.690 -16.484 10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.178 -15.418 9.287 1.00 0.00 H new ATOM 1615 N SER A 111 5.108 -12.352 9.024 1.00 0.00 N ATOM 1616 CA SER A 111 4.473 -11.158 8.478 1.00 0.00 C ATOM 1617 C SER A 111 2.995 -11.110 8.852 1.00 0.00 C ATOM 1618 O SER A 111 2.441 -10.038 9.096 1.00 0.00 O ATOM 1619 CB SER A 111 4.628 -11.123 6.956 1.00 0.00 C ATOM 1620 OG SER A 111 3.392 -10.842 6.323 1.00 0.00 O ATOM 0 H SER A 111 4.661 -13.229 8.756 1.00 0.00 H new ATOM 0 HA SER A 111 4.966 -10.285 8.906 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.362 -10.366 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.011 -12.081 6.604 1.00 0.00 H new ATOM 0 HG SER A 111 3.494 -10.932 5.352 1.00 0.00 H new ATOM 1626 N ASN A 112 2.361 -12.277 8.893 1.00 0.00 N ATOM 1627 CA ASN A 112 0.946 -12.367 9.235 1.00 0.00 C ATOM 1628 C ASN A 112 0.172 -11.186 8.660 1.00 0.00 C ATOM 1629 O ASN A 112 0.112 -10.116 9.265 1.00 0.00 O ATOM 1630 CB ASN A 112 0.771 -12.415 10.755 1.00 0.00 C ATOM 1631 CG ASN A 112 1.858 -13.222 11.438 1.00 0.00 C ATOM 1632 OD1 ASN A 112 2.418 -12.674 12.509 1.00 0.00 O flip ATOM 1633 ND2 ASN A 112 2.191 -14.326 11.007 1.00 0.00 N flip ATOM 0 H ASN A 112 2.804 -13.174 8.694 1.00 0.00 H new ATOM 0 HA ASN A 112 0.549 -13.284 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.774 -11.399 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.201 -12.847 10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 112 1.734 -14.710 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.924 -14.857 11.477 1.00 0.00 H new ATOM 1640 N GLY A 113 -0.420 -11.388 7.488 1.00 0.00 N ATOM 1641 CA GLY A 113 -1.182 -10.332 6.849 1.00 0.00 C ATOM 1642 C GLY A 113 -0.486 -8.987 6.924 1.00 0.00 C ATOM 1643 O GLY A 113 -1.135 -7.954 7.083 1.00 0.00 O ATOM 0 H GLY A 113 -0.386 -12.265 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.352 -10.592 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.161 -10.258 7.322 1.00 0.00 H new ATOM 1647 N ALA A 114 0.839 -9.000 6.813 1.00 0.00 N ATOM 1648 CA ALA A 114 1.621 -7.772 6.871 1.00 0.00 C ATOM 1649 C ALA A 114 1.859 -7.203 5.480 1.00 0.00 C ATOM 1650 O ALA A 114 2.278 -7.917 4.568 1.00 0.00 O ATOM 1651 CB ALA A 114 2.944 -8.022 7.577 1.00 0.00 C ATOM 0 H ALA A 114 1.392 -9.847 6.683 1.00 0.00 H new ATOM 0 HA ALA A 114 1.052 -7.036 7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.518 -7.096 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.754 -8.371 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.510 -8.778 7.033 1.00 0.00 H new ATOM 1657 N LEU A 115 1.591 -5.912 5.326 1.00 0.00 N ATOM 1658 CA LEU A 115 1.780 -5.242 4.048 1.00 0.00 C ATOM 1659 C LEU A 115 3.219 -5.399 3.570 1.00 0.00 C ATOM 1660 O LEU A 115 4.066 -4.546 3.835 1.00 0.00 O ATOM 1661 CB LEU A 115 1.427 -3.758 4.167 1.00 0.00 C ATOM 1662 CG LEU A 115 0.704 -3.167 2.955 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.620 -3.878 2.725 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.487 -1.673 3.142 1.00 0.00 C ATOM 0 H LEU A 115 1.242 -5.309 6.071 1.00 0.00 H new ATOM 0 HA LEU A 115 1.116 -5.704 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.801 -3.618 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 115 2.344 -3.194 4.335 1.00 0.00 H new ATOM 0 HG LEU A 115 1.328 -3.315 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.120 -3.444 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.438 -4.938 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.253 -3.762 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.028 -1.268 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.117 -1.502 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.451 -1.177 3.256 1.00 0.00 H new ATOM 1676 N CYS A 116 3.490 -6.492 2.864 1.00 0.00 N ATOM 1677 CA CYS A 116 4.830 -6.752 2.354 1.00 0.00 C ATOM 1678 C CYS A 116 5.323 -5.559 1.539 1.00 0.00 C ATOM 1679 O CYS A 116 4.535 -4.689 1.161 1.00 0.00 O ATOM 1680 CB CYS A 116 4.843 -8.039 1.523 1.00 0.00 C ATOM 1681 SG CYS A 116 6.276 -8.216 0.411 1.00 0.00 S ATOM 0 H CYS A 116 2.802 -7.209 2.633 1.00 0.00 H new ATOM 0 HA CYS A 116 5.510 -6.891 3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.819 -8.893 2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 116 3.931 -8.079 0.927 1.00 0.00 H new ATOM 1686 N HIS A 117 6.626 -5.509 1.292 1.00 0.00 N ATOM 1687 CA HIS A 117 7.221 -4.402 0.549 1.00 0.00 C ATOM 1688 C HIS A 117 7.478 -4.760 -0.912 1.00 0.00 C ATOM 1689 O HIS A 117 7.921 -5.865 -1.226 1.00 0.00 O ATOM 1690 CB HIS A 117 8.530 -3.969 1.211 1.00 0.00 C ATOM 1691 CG HIS A 117 8.926 -2.560 0.895 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.822 -2.069 0.006 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 8.380 -1.464 1.529 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 9.800 -0.702 0.120 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 8.923 -0.362 1.044 1.00 0.00 N flip ATOM 0 H HIS A 117 7.291 -6.221 1.594 1.00 0.00 H new ATOM 0 HA HIS A 117 6.506 -3.579 0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 117 8.434 -4.076 2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 117 9.327 -4.641 0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.626 -1.501 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.404 -0.015 -0.455 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.702 0.590 1.335 1.00 0.00 H new ATOM 1704 N PHE A 118 7.206 -3.803 -1.797 1.00 0.00 N ATOM 1705 CA PHE A 118 7.416 -3.992 -3.227 1.00 0.00 C ATOM 1706 C PHE A 118 7.743 -2.660 -3.900 1.00 0.00 C ATOM 1707 O PHE A 118 6.915 -1.749 -3.920 1.00 0.00 O ATOM 1708 CB PHE A 118 6.177 -4.611 -3.875 1.00 0.00 C ATOM 1709 CG PHE A 118 6.111 -6.101 -3.721 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.220 -6.887 -3.985 1.00 0.00 C ATOM 1711 CD2 PHE A 118 4.943 -6.714 -3.300 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.164 -8.259 -3.835 1.00 0.00 C ATOM 1713 CE2 PHE A 118 4.882 -8.085 -3.145 1.00 0.00 C ATOM 1714 CZ PHE A 118 5.992 -8.857 -3.413 1.00 0.00 C ATOM 0 H PHE A 118 6.838 -2.886 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 118 8.258 -4.671 -3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.284 -4.167 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.167 -4.361 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.139 -6.422 -4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.070 -6.113 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.034 -8.863 -4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.966 -8.552 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.946 -9.929 -3.293 1.00 0.00 H new ATOM 1724 N PRO A 119 8.957 -2.522 -4.460 1.00 0.00 N ATOM 1725 CA PRO A 119 9.971 -3.578 -4.459 1.00 0.00 C ATOM 1726 C PRO A 119 10.779 -3.612 -3.165 1.00 0.00 C ATOM 1727 O PRO A 119 11.170 -2.569 -2.640 1.00 0.00 O ATOM 1728 CB PRO A 119 10.859 -3.178 -5.632 1.00 0.00 C ATOM 1729 CG PRO A 119 10.807 -1.689 -5.646 1.00 0.00 C ATOM 1730 CD PRO A 119 9.434 -1.307 -5.149 1.00 0.00 C ATOM 0 HA PRO A 119 9.536 -4.574 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.879 -3.539 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 119 10.492 -3.597 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.583 -1.267 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.977 -1.304 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 119 9.477 -0.454 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.774 -1.028 -5.971 1.00 0.00 H new ATOM 1738 N PHE A 120 11.029 -4.816 -2.657 1.00 0.00 N ATOM 1739 CA PHE A 120 11.796 -4.981 -1.425 1.00 0.00 C ATOM 1740 C PHE A 120 13.241 -5.356 -1.735 1.00 0.00 C ATOM 1741 O PHE A 120 13.654 -5.363 -2.895 1.00 0.00 O ATOM 1742 CB PHE A 120 11.156 -6.050 -0.536 1.00 0.00 C ATOM 1743 CG PHE A 120 11.236 -7.438 -1.105 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.415 -7.821 -2.154 1.00 0.00 C ATOM 1745 CD2 PHE A 120 12.131 -8.362 -0.587 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.485 -9.099 -2.676 1.00 0.00 C ATOM 1747 CE2 PHE A 120 12.204 -9.642 -1.106 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.381 -10.010 -2.151 1.00 0.00 C ATOM 0 H PHE A 120 10.713 -5.690 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 120 11.791 -4.030 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.643 -6.038 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.109 -5.794 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.713 -7.113 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.778 -8.079 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.840 -9.385 -3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.905 -10.353 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.437 -11.009 -2.558 1.00 0.00 H new ATOM 1758 N LEU A 121 14.009 -5.670 -0.697 1.00 0.00 N ATOM 1759 CA LEU A 121 15.407 -6.045 -0.875 1.00 0.00 C ATOM 1760 C LEU A 121 15.732 -7.336 -0.130 1.00 0.00 C ATOM 1761 O LEU A 121 15.257 -7.565 0.983 1.00 0.00 O ATOM 1762 CB LEU A 121 16.332 -4.922 -0.399 1.00 0.00 C ATOM 1763 CG LEU A 121 17.811 -5.304 -0.300 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.060 -6.168 0.927 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.252 -6.024 -1.558 1.00 0.00 C ATOM 0 H LEU A 121 13.689 -5.672 0.272 1.00 0.00 H new ATOM 0 HA LEU A 121 15.570 -6.212 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.235 -4.077 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.993 -4.582 0.580 1.00 0.00 H new ATOM 0 HG LEU A 121 18.399 -4.392 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.117 -6.429 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.777 -5.617 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.464 -7.078 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.306 -6.290 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.658 -6.929 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.110 -5.372 -2.419 1.00 0.00 H new ATOM 1777 N TYR A 122 16.554 -8.171 -0.755 1.00 0.00 N ATOM 1778 CA TYR A 122 16.962 -9.442 -0.167 1.00 0.00 C ATOM 1779 C TYR A 122 18.458 -9.667 -0.365 1.00 0.00 C ATOM 1780 O TYR A 122 18.951 -9.652 -1.493 1.00 0.00 O ATOM 1781 CB TYR A 122 16.174 -10.596 -0.789 1.00 0.00 C ATOM 1782 CG TYR A 122 16.601 -11.961 -0.297 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.865 -12.461 -0.585 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.740 -12.746 0.457 1.00 0.00 C ATOM 1785 CE1 TYR A 122 18.257 -13.708 -0.135 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.125 -13.994 0.910 1.00 0.00 C ATOM 1787 CZ TYR A 122 17.384 -14.470 0.612 1.00 0.00 C ATOM 1788 OH TYR A 122 17.771 -15.711 1.062 1.00 0.00 O ATOM 0 H TYR A 122 16.954 -7.989 -1.676 1.00 0.00 H new ATOM 0 HA TYR A 122 16.751 -9.407 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.114 -10.458 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.287 -10.559 -1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.552 -11.866 -1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.753 -12.376 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 122 19.243 -14.084 -0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.443 -14.593 1.495 1.00 0.00 H new ATOM 0 HH TYR A 122 17.247 -16.402 0.607 1.00 0.00 H new ATOM 1798 N ASN A 123 19.177 -9.868 0.735 1.00 0.00 N ATOM 1799 CA ASN A 123 20.617 -10.087 0.672 1.00 0.00 C ATOM 1800 C ASN A 123 21.282 -9.010 -0.178 1.00 0.00 C ATOM 1801 O ASN A 123 22.252 -9.271 -0.888 1.00 0.00 O ATOM 1802 CB ASN A 123 20.923 -11.471 0.096 1.00 0.00 C ATOM 1803 CG ASN A 123 20.549 -12.589 1.050 1.00 0.00 C ATOM 1804 OD1 ASN A 123 19.545 -12.507 1.757 1.00 0.00 O ATOM 1805 ND2 ASN A 123 21.357 -13.643 1.072 1.00 0.00 N ATOM 0 H ASN A 123 18.787 -9.884 1.677 1.00 0.00 H new ATOM 0 HA ASN A 123 21.017 -10.032 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 123 20.381 -11.600 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 123 21.985 -11.537 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 123 21.156 -14.427 1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 123 22.179 -13.668 0.468 1.00 0.00 H new ATOM 1812 N ASN A 124 20.740 -7.798 -0.104 1.00 0.00 N ATOM 1813 CA ASN A 124 21.263 -6.671 -0.868 1.00 0.00 C ATOM 1814 C ASN A 124 20.838 -6.762 -2.331 1.00 0.00 C ATOM 1815 O ASN A 124 21.131 -5.872 -3.129 1.00 0.00 O ATOM 1816 CB ASN A 124 22.789 -6.608 -0.766 1.00 0.00 C ATOM 1817 CG ASN A 124 23.310 -7.203 0.528 1.00 0.00 C ATOM 1818 OD1 ASN A 124 24.252 -7.994 0.524 1.00 0.00 O ATOM 1819 ND2 ASN A 124 22.696 -6.824 1.643 1.00 0.00 N ATOM 0 H ASN A 124 19.935 -7.571 0.480 1.00 0.00 H new ATOM 0 HA ASN A 124 20.847 -5.757 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.228 -7.140 -1.610 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.112 -5.570 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 124 23.002 -7.192 2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 124 21.919 -6.165 1.598 1.00 0.00 H new ATOM 1826 N HIS A 125 20.123 -7.831 -2.672 1.00 0.00 N ATOM 1827 CA HIS A 125 19.636 -8.021 -4.029 1.00 0.00 C ATOM 1828 C HIS A 125 18.217 -7.474 -4.154 1.00 0.00 C ATOM 1829 O HIS A 125 17.241 -8.190 -3.933 1.00 0.00 O ATOM 1830 CB HIS A 125 19.660 -9.505 -4.404 1.00 0.00 C ATOM 1831 CG HIS A 125 19.564 -9.753 -5.876 1.00 0.00 C ATOM 1832 ND1 HIS A 125 20.432 -10.578 -6.560 1.00 0.00 N ATOM 1833 CD2 HIS A 125 18.694 -9.279 -6.800 1.00 0.00 C ATOM 1834 CE1 HIS A 125 20.102 -10.601 -7.838 1.00 0.00 C ATOM 1835 NE2 HIS A 125 19.050 -9.822 -8.010 1.00 0.00 N ATOM 0 H HIS A 125 19.870 -8.577 -2.025 1.00 0.00 H new ATOM 0 HA HIS A 125 20.289 -7.479 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.581 -9.951 -4.028 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.834 -10.011 -3.904 1.00 0.00 H new ATOM 0 HD2 HIS A 125 17.873 -8.601 -6.619 1.00 0.00 H new ATOM 0 HE1 HIS A 125 20.607 -11.162 -8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 125 18.578 -9.651 -8.898 1.00 0.00 H new ATOM 1844 N ASN A 126 18.113 -6.194 -4.495 1.00 0.00 N ATOM 1845 CA ASN A 126 16.817 -5.541 -4.637 1.00 0.00 C ATOM 1846 C ASN A 126 15.806 -6.460 -5.318 1.00 0.00 C ATOM 1847 O ASN A 126 15.858 -6.665 -6.531 1.00 0.00 O ATOM 1848 CB ASN A 126 16.963 -4.246 -5.440 1.00 0.00 C ATOM 1849 CG ASN A 126 16.973 -3.014 -4.557 1.00 0.00 C ATOM 1850 OD1 ASN A 126 15.921 -2.537 -4.130 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.165 -2.495 -4.280 1.00 0.00 N ATOM 0 H ASN A 126 18.912 -5.587 -4.678 1.00 0.00 H new ATOM 0 HA ASN A 126 16.449 -5.308 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.887 -4.283 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.143 -4.171 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 126 18.236 -1.666 -3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.009 -2.926 -4.657 1.00 0.00 H new ATOM 1857 N TYR A 127 14.885 -7.007 -4.531 1.00 0.00 N ATOM 1858 CA TYR A 127 13.858 -7.899 -5.061 1.00 0.00 C ATOM 1859 C TYR A 127 12.552 -7.142 -5.279 1.00 0.00 C ATOM 1860 O TYR A 127 12.243 -6.198 -4.553 1.00 0.00 O ATOM 1861 CB TYR A 127 13.623 -9.073 -4.109 1.00 0.00 C ATOM 1862 CG TYR A 127 14.277 -10.360 -4.558 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.590 -10.652 -4.212 1.00 0.00 C ATOM 1864 CD2 TYR A 127 13.581 -11.282 -5.330 1.00 0.00 C ATOM 1865 CE1 TYR A 127 16.191 -11.827 -4.621 1.00 0.00 C ATOM 1866 CE2 TYR A 127 14.174 -12.460 -5.743 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.479 -12.728 -5.386 1.00 0.00 C ATOM 1868 OH TYR A 127 16.075 -13.899 -5.796 1.00 0.00 O ATOM 0 H TYR A 127 14.828 -6.849 -3.525 1.00 0.00 H new ATOM 0 HA TYR A 127 14.206 -8.285 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 127 14.001 -8.809 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.550 -9.237 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 127 16.150 -9.949 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.559 -11.075 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.213 -12.039 -4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 127 13.619 -13.167 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 127 15.438 -14.423 -6.325 1.00 0.00 H new ATOM 1878 N THR A 128 11.790 -7.556 -6.284 1.00 0.00 N ATOM 1879 CA THR A 128 10.521 -6.908 -6.592 1.00 0.00 C ATOM 1880 C THR A 128 9.495 -7.913 -7.099 1.00 0.00 C ATOM 1881 O THR A 128 9.050 -7.844 -8.244 1.00 0.00 O ATOM 1882 CB THR A 128 10.704 -5.793 -7.641 1.00 0.00 C ATOM 1883 OG1 THR A 128 10.665 -6.346 -8.962 1.00 0.00 O ATOM 1884 CG2 THR A 128 12.025 -5.066 -7.434 1.00 0.00 C ATOM 0 H THR A 128 12.028 -8.335 -6.898 1.00 0.00 H new ATOM 0 HA THR A 128 10.156 -6.467 -5.664 1.00 0.00 H new ATOM 0 HB THR A 128 9.888 -5.080 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 128 9.768 -6.696 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 128 12.132 -4.284 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 128 12.042 -4.619 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.848 -5.774 -7.528 1.00 0.00 H new ATOM 1892 N ASP A 129 9.117 -8.843 -6.233 1.00 0.00 N ATOM 1893 CA ASP A 129 8.138 -9.861 -6.585 1.00 0.00 C ATOM 1894 C ASP A 129 8.161 -11.003 -5.581 1.00 0.00 C ATOM 1895 O ASP A 129 9.202 -11.318 -5.007 1.00 0.00 O ATOM 1896 CB ASP A 129 8.407 -10.394 -7.993 1.00 0.00 C ATOM 1897 CG ASP A 129 9.889 -10.523 -8.290 1.00 0.00 C ATOM 1898 OD1 ASP A 129 10.681 -10.601 -7.328 1.00 0.00 O ATOM 1899 OD2 ASP A 129 10.255 -10.547 -9.483 1.00 0.00 O ATOM 0 H ASP A 129 9.474 -8.913 -5.280 1.00 0.00 H new ATOM 0 HA ASP A 129 7.149 -9.403 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.930 -11.368 -8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.949 -9.728 -8.724 1.00 0.00 H new ATOM 1904 N CYS A 130 7.004 -11.617 -5.374 1.00 0.00 N ATOM 1905 CA CYS A 130 6.885 -12.723 -4.436 1.00 0.00 C ATOM 1906 C CYS A 130 7.989 -13.751 -4.664 1.00 0.00 C ATOM 1907 O CYS A 130 7.807 -14.718 -5.402 1.00 0.00 O ATOM 1908 CB CYS A 130 5.516 -13.388 -4.577 1.00 0.00 C ATOM 1909 SG CYS A 130 4.553 -13.446 -3.034 1.00 0.00 S ATOM 0 H CYS A 130 6.134 -11.367 -5.844 1.00 0.00 H new ATOM 0 HA CYS A 130 6.988 -12.326 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 130 4.940 -12.852 -5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.654 -14.405 -4.944 1.00 0.00 H new ATOM 1914 N THR A 131 9.134 -13.535 -4.025 1.00 0.00 N ATOM 1915 CA THR A 131 10.267 -14.442 -4.160 1.00 0.00 C ATOM 1916 C THR A 131 10.040 -15.726 -3.370 1.00 0.00 C ATOM 1917 O THR A 131 9.459 -15.706 -2.285 1.00 0.00 O ATOM 1918 CB THR A 131 11.575 -13.784 -3.683 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.663 -14.707 -3.810 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.455 -13.330 -2.235 1.00 0.00 C ATOM 0 H THR A 131 9.301 -12.740 -3.409 1.00 0.00 H new ATOM 0 HA THR A 131 10.355 -14.681 -5.220 1.00 0.00 H new ATOM 0 HB THR A 131 11.765 -12.911 -4.307 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.365 -14.311 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.391 -12.868 -1.920 1.00 0.00 H new ATOM 0 HG22 THR A 131 10.645 -12.606 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.243 -14.190 -1.600 1.00 0.00 H new ATOM 1928 N SER A 132 10.502 -16.844 -3.924 1.00 0.00 N ATOM 1929 CA SER A 132 10.350 -18.139 -3.271 1.00 0.00 C ATOM 1930 C SER A 132 11.707 -18.710 -2.876 1.00 0.00 C ATOM 1931 O SER A 132 11.934 -19.917 -2.968 1.00 0.00 O ATOM 1932 CB SER A 132 9.621 -19.116 -4.196 1.00 0.00 C ATOM 1933 OG SER A 132 9.410 -18.548 -5.476 1.00 0.00 O ATOM 0 H SER A 132 10.984 -16.878 -4.822 1.00 0.00 H new ATOM 0 HA SER A 132 9.759 -17.996 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.203 -20.032 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.663 -19.392 -3.755 1.00 0.00 H new ATOM 0 HG SER A 132 8.944 -19.194 -6.048 1.00 0.00 H new ATOM 1939 N GLU A 133 12.607 -17.836 -2.437 1.00 0.00 N ATOM 1940 CA GLU A 133 13.943 -18.254 -2.028 1.00 0.00 C ATOM 1941 C GLU A 133 13.878 -19.500 -1.151 1.00 0.00 C ATOM 1942 O GLU A 133 13.123 -19.549 -0.180 1.00 0.00 O ATOM 1943 CB GLU A 133 14.646 -17.122 -1.277 1.00 0.00 C ATOM 1944 CG GLU A 133 15.978 -16.721 -1.890 1.00 0.00 C ATOM 1945 CD GLU A 133 17.093 -17.688 -1.545 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.432 -17.801 -0.347 1.00 0.00 O ATOM 1947 OE2 GLU A 133 17.629 -18.331 -2.472 1.00 0.00 O ATOM 0 H GLU A 133 12.435 -16.834 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 133 14.513 -18.494 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 133 13.990 -16.252 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.809 -17.429 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.873 -16.665 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 133 16.247 -15.723 -1.544 1.00 0.00 H new ATOM 1954 N GLY A 134 14.674 -20.505 -1.500 1.00 0.00 N ATOM 1955 CA GLY A 134 14.691 -21.737 -0.734 1.00 0.00 C ATOM 1956 C GLY A 134 13.298 -22.279 -0.480 1.00 0.00 C ATOM 1957 O GLY A 134 13.046 -22.900 0.552 1.00 0.00 O ATOM 0 H GLY A 134 15.307 -20.488 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.277 -22.485 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.189 -21.562 0.220 1.00 0.00 H new ATOM 1961 N ARG A 135 12.392 -22.043 -1.423 1.00 0.00 N ATOM 1962 CA ARG A 135 11.017 -22.510 -1.297 1.00 0.00 C ATOM 1963 C ARG A 135 10.741 -23.658 -2.264 1.00 0.00 C ATOM 1964 O ARG A 135 11.160 -23.621 -3.421 1.00 0.00 O ATOM 1965 CB ARG A 135 10.041 -21.361 -1.557 1.00 0.00 C ATOM 1966 CG ARG A 135 8.684 -21.556 -0.901 1.00 0.00 C ATOM 1967 CD ARG A 135 8.666 -21.015 0.519 1.00 0.00 C ATOM 1968 NE ARG A 135 7.781 -21.786 1.387 1.00 0.00 N ATOM 1969 CZ ARG A 135 8.163 -22.867 2.059 1.00 0.00 C ATOM 1970 NH1 ARG A 135 9.414 -23.299 1.971 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.294 -23.516 2.822 1.00 0.00 N ATOM 0 H ARG A 135 12.586 -21.531 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 135 10.875 -22.875 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 135 10.481 -20.432 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.903 -21.249 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.918 -21.054 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.434 -22.617 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.677 -21.031 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 135 8.344 -19.974 0.506 1.00 0.00 H new ATOM 0 HE ARG A 135 6.814 -21.477 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 135 10.086 -22.801 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.704 -24.129 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 135 6.332 -23.186 2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.588 -24.346 3.337 1.00 0.00 H new ATOM 1985 N ARG A 136 10.034 -24.675 -1.782 1.00 0.00 N ATOM 1986 CA ARG A 136 9.703 -25.833 -2.604 1.00 0.00 C ATOM 1987 C ARG A 136 8.191 -26.010 -2.715 1.00 0.00 C ATOM 1988 O ARG A 136 7.706 -26.779 -3.545 1.00 0.00 O ATOM 1989 CB ARG A 136 10.335 -27.096 -2.019 1.00 0.00 C ATOM 1990 CG ARG A 136 11.692 -27.431 -2.616 1.00 0.00 C ATOM 1991 CD ARG A 136 12.580 -26.201 -2.704 1.00 0.00 C ATOM 1992 NE ARG A 136 13.968 -26.548 -2.994 1.00 0.00 N ATOM 1993 CZ ARG A 136 14.840 -25.705 -3.539 1.00 0.00 C ATOM 1994 NH1 ARG A 136 14.465 -24.472 -3.851 1.00 0.00 N ATOM 1995 NH2 ARG A 136 16.086 -26.094 -3.773 1.00 0.00 N ATOM 0 H ARG A 136 9.679 -24.721 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 136 10.104 -25.664 -3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.442 -26.973 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.660 -27.937 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 136 12.181 -28.191 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.558 -27.857 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 136 12.203 -25.536 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 136 12.533 -25.652 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 136 14.287 -27.490 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.507 -24.170 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 136 15.134 -23.826 -4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 136 16.378 -27.042 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.753 -25.445 -4.191 1.00 0.00 H new ATOM 2009 N ASP A 137 7.452 -25.296 -1.872 1.00 0.00 N ATOM 2010 CA ASP A 137 5.996 -25.376 -1.877 1.00 0.00 C ATOM 2011 C ASP A 137 5.384 -24.137 -2.521 1.00 0.00 C ATOM 2012 O ASP A 137 6.052 -23.116 -2.681 1.00 0.00 O ATOM 2013 CB ASP A 137 5.467 -25.534 -0.451 1.00 0.00 C ATOM 2014 CG ASP A 137 6.285 -24.755 0.560 1.00 0.00 C ATOM 2015 OD1 ASP A 137 6.153 -23.513 0.599 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.054 -25.387 1.315 1.00 0.00 O ATOM 0 H ASP A 137 7.837 -24.656 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 137 5.709 -26.249 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.431 -25.198 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.470 -26.590 -0.180 1.00 0.00 H new ATOM 2021 N ASN A 138 4.111 -24.234 -2.888 1.00 0.00 N ATOM 2022 CA ASN A 138 3.408 -23.126 -3.512 1.00 0.00 C ATOM 2023 C ASN A 138 3.107 -22.025 -2.498 1.00 0.00 C ATOM 2024 O ASN A 138 1.955 -21.619 -2.335 1.00 0.00 O ATOM 2025 CB ASN A 138 2.110 -23.615 -4.154 1.00 0.00 C ATOM 2026 CG ASN A 138 1.195 -24.302 -3.158 1.00 0.00 C ATOM 2027 OD1 ASN A 138 1.650 -24.839 -2.148 1.00 0.00 O ATOM 2028 ND2 ASN A 138 -0.103 -24.287 -3.439 1.00 0.00 N ATOM 0 H ASN A 138 3.545 -25.073 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 138 4.054 -22.711 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 138 1.587 -22.769 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 138 2.346 -24.306 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -0.767 -24.733 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -0.436 -23.830 -4.288 1.00 0.00 H new ATOM 2035 N MET A 139 4.145 -21.545 -1.821 1.00 0.00 N ATOM 2036 CA MET A 139 3.986 -20.492 -0.825 1.00 0.00 C ATOM 2037 C MET A 139 4.859 -19.289 -1.166 1.00 0.00 C ATOM 2038 O MET A 139 5.809 -18.975 -0.449 1.00 0.00 O ATOM 2039 CB MET A 139 4.341 -21.017 0.567 1.00 0.00 C ATOM 2040 CG MET A 139 3.331 -20.634 1.636 1.00 0.00 C ATOM 2041 SD MET A 139 3.086 -21.935 2.860 1.00 0.00 S ATOM 2042 CE MET A 139 4.635 -21.851 3.757 1.00 0.00 C ATOM 0 H MET A 139 5.105 -21.868 -1.944 1.00 0.00 H new ATOM 0 HA MET A 139 2.943 -20.176 -0.829 1.00 0.00 H new ATOM 0 HB2 MET A 139 4.421 -22.103 0.527 1.00 0.00 H new ATOM 0 HB3 MET A 139 5.321 -20.635 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 139 3.666 -19.727 2.138 1.00 0.00 H new ATOM 0 HG3 MET A 139 2.377 -20.402 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 139 4.867 -22.830 4.176 1.00 0.00 H new ATOM 0 HE2 MET A 139 5.433 -21.549 3.078 1.00 0.00 H new ATOM 0 HE3 MET A 139 4.549 -21.123 4.563 1.00 0.00 H new ATOM 2052 N LYS A 140 4.529 -18.621 -2.266 1.00 0.00 N ATOM 2053 CA LYS A 140 5.281 -17.451 -2.707 1.00 0.00 C ATOM 2054 C LYS A 140 5.274 -16.363 -1.637 1.00 0.00 C ATOM 2055 O LYS A 140 4.224 -16.010 -1.101 1.00 0.00 O ATOM 2056 CB LYS A 140 4.695 -16.910 -4.010 1.00 0.00 C ATOM 2057 CG LYS A 140 3.324 -16.277 -3.845 1.00 0.00 C ATOM 2058 CD LYS A 140 2.944 -15.442 -5.059 1.00 0.00 C ATOM 2059 CE LYS A 140 3.207 -16.192 -6.354 1.00 0.00 C ATOM 2060 NZ LYS A 140 4.615 -16.035 -6.813 1.00 0.00 N ATOM 0 H LYS A 140 3.745 -18.870 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 140 6.314 -17.754 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 140 5.379 -16.171 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 140 4.626 -17.723 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 140 2.578 -17.057 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 140 3.317 -15.649 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.889 -15.172 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 140 3.512 -14.512 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.988 -17.250 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 140 2.531 -15.828 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 4.662 -16.173 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 4.953 -15.081 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 5.215 -16.742 -6.341 1.00 0.00 H new ATOM 2074 N TRP A 141 6.457 -15.839 -1.326 1.00 0.00 N ATOM 2075 CA TRP A 141 6.588 -14.796 -0.315 1.00 0.00 C ATOM 2076 C TRP A 141 7.482 -13.661 -0.803 1.00 0.00 C ATOM 2077 O TRP A 141 8.199 -13.803 -1.795 1.00 0.00 O ATOM 2078 CB TRP A 141 7.160 -15.386 0.975 1.00 0.00 C ATOM 2079 CG TRP A 141 8.611 -15.743 0.866 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.135 -16.973 0.589 1.00 0.00 C ATOM 2081 CD2 TRP A 141 9.725 -14.859 1.029 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.507 -16.907 0.569 1.00 0.00 N ATOM 2083 CE2 TRP A 141 10.894 -15.620 0.837 1.00 0.00 C ATOM 2084 CE3 TRP A 141 9.847 -13.497 1.318 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.167 -15.062 0.923 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.112 -12.945 1.404 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.256 -13.727 1.207 1.00 0.00 C ATOM 0 H TRP A 141 7.337 -16.120 -1.759 1.00 0.00 H new ATOM 0 HA TRP A 141 5.595 -14.389 -0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.029 -14.669 1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.592 -16.277 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.556 -17.867 0.412 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.136 -17.689 0.385 1.00 0.00 H new ATOM 0 HE3 TRP A 141 8.969 -12.887 1.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.052 -15.662 0.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.219 -11.894 1.627 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.230 -13.266 1.281 1.00 0.00 H new ATOM 2098 N CYS A 142 7.440 -12.539 -0.094 1.00 0.00 N ATOM 2099 CA CYS A 142 8.251 -11.377 -0.442 1.00 0.00 C ATOM 2100 C CYS A 142 8.720 -10.656 0.816 1.00 0.00 C ATOM 2101 O CYS A 142 8.230 -10.922 1.914 1.00 0.00 O ATOM 2102 CB CYS A 142 7.458 -10.413 -1.327 1.00 0.00 C ATOM 2103 SG CYS A 142 5.853 -9.908 -0.630 1.00 0.00 S ATOM 0 H CYS A 142 6.851 -12.409 0.728 1.00 0.00 H new ATOM 0 HA CYS A 142 9.123 -11.726 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 142 8.060 -9.522 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.289 -10.883 -2.296 1.00 0.00 H new ATOM 2108 N GLY A 143 9.671 -9.744 0.651 1.00 0.00 N ATOM 2109 CA GLY A 143 10.188 -9.003 1.785 1.00 0.00 C ATOM 2110 C GLY A 143 9.125 -8.155 2.454 1.00 0.00 C ATOM 2111 O GLY A 143 8.470 -7.342 1.804 1.00 0.00 O ATOM 0 H GLY A 143 10.092 -9.505 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.604 -9.700 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.006 -8.362 1.455 1.00 0.00 H new ATOM 2115 N THR A 144 8.958 -8.343 3.759 1.00 0.00 N ATOM 2116 CA THR A 144 7.969 -7.588 4.516 1.00 0.00 C ATOM 2117 C THR A 144 8.438 -6.155 4.752 1.00 0.00 C ATOM 2118 O THR A 144 7.731 -5.353 5.364 1.00 0.00 O ATOM 2119 CB THR A 144 7.674 -8.250 5.874 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.787 -8.073 6.758 1.00 0.00 O ATOM 2121 CG2 THR A 144 7.391 -9.735 5.700 1.00 0.00 C ATOM 0 H THR A 144 9.494 -9.011 4.313 1.00 0.00 H new ATOM 0 HA THR A 144 7.055 -7.577 3.922 1.00 0.00 H new ATOM 0 HB THR A 144 6.792 -7.774 6.302 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.538 -8.623 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 144 7.185 -10.183 6.672 1.00 0.00 H new ATOM 0 HG22 THR A 144 6.526 -9.867 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 144 8.258 -10.221 5.253 1.00 0.00 H new ATOM 2129 N THR A 145 9.633 -5.839 4.261 1.00 0.00 N ATOM 2130 CA THR A 145 10.196 -4.505 4.415 1.00 0.00 C ATOM 2131 C THR A 145 11.223 -4.221 3.323 1.00 0.00 C ATOM 2132 O THR A 145 11.821 -5.143 2.769 1.00 0.00 O ATOM 2133 CB THR A 145 10.863 -4.331 5.793 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.978 -5.221 5.914 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.868 -4.603 6.913 1.00 0.00 C ATOM 0 H THR A 145 10.230 -6.491 3.752 1.00 0.00 H new ATOM 0 HA THR A 145 9.371 -3.797 4.331 1.00 0.00 H new ATOM 0 HB THR A 145 11.210 -3.301 5.877 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.811 -4.705 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.361 -4.474 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.034 -3.906 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.496 -5.624 6.829 1.00 0.00 H new ATOM 2143 N GLN A 146 11.418 -2.943 3.015 1.00 0.00 N ATOM 2144 CA GLN A 146 12.370 -2.539 1.985 1.00 0.00 C ATOM 2145 C GLN A 146 13.584 -3.462 1.968 1.00 0.00 C ATOM 2146 O GLN A 146 14.075 -3.838 0.903 1.00 0.00 O ATOM 2147 CB GLN A 146 12.817 -1.094 2.214 1.00 0.00 C ATOM 2148 CG GLN A 146 14.061 -0.710 1.430 1.00 0.00 C ATOM 2149 CD GLN A 146 14.687 0.579 1.924 1.00 0.00 C ATOM 2150 OE1 GLN A 146 13.988 1.512 2.319 1.00 0.00 O ATOM 2151 NE2 GLN A 146 16.014 0.639 1.904 1.00 0.00 N ATOM 0 H GLN A 146 10.929 -2.168 3.464 1.00 0.00 H new ATOM 0 HA GLN A 146 11.871 -2.611 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.003 -0.423 1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.007 -0.946 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.793 -1.515 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 146 13.803 -0.604 0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.556 -0.158 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.491 1.482 2.224 1.00 0.00 H new ATOM 2160 N ASN A 147 14.061 -3.825 3.153 1.00 0.00 N ATOM 2161 CA ASN A 147 15.217 -4.706 3.282 1.00 0.00 C ATOM 2162 C ASN A 147 14.876 -5.921 4.139 1.00 0.00 C ATOM 2163 O ASN A 147 15.265 -6.002 5.305 1.00 0.00 O ATOM 2164 CB ASN A 147 16.393 -3.944 3.892 1.00 0.00 C ATOM 2165 CG ASN A 147 16.444 -2.499 3.436 1.00 0.00 C ATOM 2166 OD1 ASN A 147 15.447 -1.779 3.505 1.00 0.00 O ATOM 2167 ND2 ASN A 147 17.608 -2.065 2.967 1.00 0.00 N ATOM 0 H ASN A 147 13.663 -3.522 4.042 1.00 0.00 H new ATOM 0 HA ASN A 147 15.498 -5.054 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.319 -3.977 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.324 -4.441 3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 147 17.701 -1.101 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 147 18.409 -2.695 2.927 1.00 0.00 H new ATOM 2174 N TYR A 148 14.144 -6.860 3.550 1.00 0.00 N ATOM 2175 CA TYR A 148 13.739 -8.073 4.251 1.00 0.00 C ATOM 2176 C TYR A 148 14.907 -8.682 5.020 1.00 0.00 C ATOM 2177 O TYR A 148 14.824 -8.885 6.232 1.00 0.00 O ATOM 2178 CB TYR A 148 13.181 -9.092 3.257 1.00 0.00 C ATOM 2179 CG TYR A 148 13.134 -10.505 3.794 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.552 -10.782 5.024 1.00 0.00 C ATOM 2181 CD2 TYR A 148 13.672 -11.559 3.070 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.507 -12.073 5.517 1.00 0.00 C ATOM 2183 CE2 TYR A 148 13.631 -12.852 3.555 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.048 -13.103 4.779 1.00 0.00 C ATOM 2185 OH TYR A 148 13.006 -14.390 5.264 1.00 0.00 O ATOM 0 H TYR A 148 13.818 -6.804 2.585 1.00 0.00 H new ATOM 0 HA TYR A 148 12.963 -7.805 4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.175 -8.790 2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.791 -9.076 2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.128 -9.976 5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.130 -11.366 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.050 -12.273 6.475 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.053 -13.662 2.979 1.00 0.00 H new ATOM 0 HH TYR A 148 12.132 -14.556 5.676 1.00 0.00 H new ATOM 2195 N ASP A 149 15.993 -8.972 4.312 1.00 0.00 N ATOM 2196 CA ASP A 149 17.173 -9.559 4.936 1.00 0.00 C ATOM 2197 C ASP A 149 17.734 -8.634 6.008 1.00 0.00 C ATOM 2198 O ASP A 149 18.557 -9.043 6.829 1.00 0.00 O ATOM 2199 CB ASP A 149 18.244 -9.848 3.884 1.00 0.00 C ATOM 2200 CG ASP A 149 19.494 -10.462 4.484 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.431 -11.633 4.914 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.534 -9.772 4.524 1.00 0.00 O ATOM 0 H ASP A 149 16.081 -8.811 3.309 1.00 0.00 H new ATOM 0 HA ASP A 149 16.876 -10.496 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.837 -10.523 3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.507 -8.922 3.373 1.00 0.00 H new ATOM 2207 N ALA A 150 17.283 -7.386 5.996 1.00 0.00 N ATOM 2208 CA ALA A 150 17.737 -6.398 6.966 1.00 0.00 C ATOM 2209 C ALA A 150 16.773 -6.302 8.143 1.00 0.00 C ATOM 2210 O ALA A 150 17.085 -5.697 9.168 1.00 0.00 O ATOM 2211 CB ALA A 150 17.894 -5.043 6.296 1.00 0.00 C ATOM 0 H ALA A 150 16.602 -7.034 5.324 1.00 0.00 H new ATOM 0 HA ALA A 150 18.706 -6.717 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.234 -4.312 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.626 -5.117 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.935 -4.727 5.886 1.00 0.00 H new ATOM 2217 N ASP A 151 15.598 -6.906 7.989 1.00 0.00 N ATOM 2218 CA ASP A 151 14.586 -6.891 9.038 1.00 0.00 C ATOM 2219 C ASP A 151 14.373 -8.290 9.607 1.00 0.00 C ATOM 2220 O ASP A 151 14.216 -8.463 10.816 1.00 0.00 O ATOM 2221 CB ASP A 151 13.266 -6.341 8.496 1.00 0.00 C ATOM 2222 CG ASP A 151 12.269 -6.037 9.597 1.00 0.00 C ATOM 2223 OD1 ASP A 151 11.895 -6.973 10.335 1.00 0.00 O ATOM 2224 OD2 ASP A 151 11.864 -4.863 9.723 1.00 0.00 O ATOM 0 H ASP A 151 15.324 -7.412 7.147 1.00 0.00 H new ATOM 0 HA ASP A 151 14.939 -6.242 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.461 -5.433 7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.831 -7.064 7.805 1.00 0.00 H new ATOM 2229 N GLN A 152 14.369 -9.287 8.727 1.00 0.00 N ATOM 2230 CA GLN A 152 14.176 -10.672 9.140 1.00 0.00 C ATOM 2231 C GLN A 152 12.693 -11.007 9.252 1.00 0.00 C ATOM 2232 O GLN A 152 12.243 -11.549 10.261 1.00 0.00 O ATOM 2233 CB GLN A 152 14.871 -10.929 10.478 1.00 0.00 C ATOM 2234 CG GLN A 152 15.551 -12.286 10.561 1.00 0.00 C ATOM 2235 CD GLN A 152 14.855 -13.338 9.722 1.00 0.00 C ATOM 2236 OE1 GLN A 152 13.822 -13.880 10.117 1.00 0.00 O ATOM 2237 NE2 GLN A 152 15.418 -13.635 8.557 1.00 0.00 N ATOM 0 H GLN A 152 14.497 -9.161 7.723 1.00 0.00 H new ATOM 0 HA GLN A 152 14.618 -11.315 8.379 1.00 0.00 H new ATOM 0 HB2 GLN A 152 15.613 -10.149 10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.137 -10.850 11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 152 16.586 -12.191 10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 152 15.576 -12.613 11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 152 16.274 -13.161 8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 152 14.994 -14.337 7.950 1.00 0.00 H new ATOM 2246 N LYS A 153 11.937 -10.681 8.208 1.00 0.00 N ATOM 2247 CA LYS A 153 10.503 -10.949 8.191 1.00 0.00 C ATOM 2248 C LYS A 153 10.004 -11.163 6.765 1.00 0.00 C ATOM 2249 O LYS A 153 10.071 -10.261 5.930 1.00 0.00 O ATOM 2250 CB LYS A 153 9.741 -9.793 8.840 1.00 0.00 C ATOM 2251 CG LYS A 153 9.860 -9.760 10.355 1.00 0.00 C ATOM 2252 CD LYS A 153 9.494 -8.394 10.913 1.00 0.00 C ATOM 2253 CE LYS A 153 8.339 -8.485 11.896 1.00 0.00 C ATOM 2254 NZ LYS A 153 8.799 -8.357 13.307 1.00 0.00 N ATOM 0 H LYS A 153 12.293 -10.232 7.364 1.00 0.00 H new ATOM 0 HA LYS A 153 10.323 -11.861 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.111 -8.852 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.688 -9.865 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 153 9.208 -10.518 10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 153 10.880 -10.012 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.361 -7.958 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 153 9.225 -7.726 10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 153 7.614 -7.701 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 153 7.826 -9.438 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 8.004 -8.053 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 9.153 -9.276 13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 9.562 -7.652 13.361 1.00 0.00 H new ATOM 2268 N PHE A 154 9.500 -12.364 6.494 1.00 0.00 N ATOM 2269 CA PHE A 154 8.986 -12.698 5.171 1.00 0.00 C ATOM 2270 C PHE A 154 7.490 -12.987 5.230 1.00 0.00 C ATOM 2271 O PHE A 154 6.961 -13.357 6.279 1.00 0.00 O ATOM 2272 CB PHE A 154 9.730 -13.907 4.601 1.00 0.00 C ATOM 2273 CG PHE A 154 9.498 -15.174 5.374 1.00 0.00 C ATOM 2274 CD1 PHE A 154 10.209 -15.432 6.535 1.00 0.00 C ATOM 2275 CD2 PHE A 154 8.569 -16.106 4.939 1.00 0.00 C ATOM 2276 CE1 PHE A 154 9.997 -16.597 7.248 1.00 0.00 C ATOM 2277 CE2 PHE A 154 8.353 -17.272 5.649 1.00 0.00 C ATOM 2278 CZ PHE A 154 9.068 -17.518 6.804 1.00 0.00 C ATOM 0 H PHE A 154 9.437 -13.122 7.174 1.00 0.00 H new ATOM 0 HA PHE A 154 9.148 -11.841 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.420 -14.060 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.798 -13.691 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 154 10.936 -14.715 6.886 1.00 0.00 H new ATOM 0 HD2 PHE A 154 8.008 -15.919 4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 154 10.557 -16.787 8.152 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.625 -17.990 5.300 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.901 -18.429 7.360 1.00 0.00 H new ATOM 2288 N GLY A 155 6.812 -12.815 4.101 1.00 0.00 N ATOM 2289 CA GLY A 155 5.382 -13.062 4.053 1.00 0.00 C ATOM 2290 C GLY A 155 4.925 -13.606 2.714 1.00 0.00 C ATOM 2291 O GLY A 155 5.486 -13.265 1.672 1.00 0.00 O ATOM 0 H GLY A 155 7.225 -12.510 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.113 -13.769 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.850 -12.134 4.264 1.00 0.00 H new ATOM 2295 N PHE A 156 3.898 -14.449 2.742 1.00 0.00 N ATOM 2296 CA PHE A 156 3.358 -15.039 1.523 1.00 0.00 C ATOM 2297 C PHE A 156 2.297 -14.129 0.912 1.00 0.00 C ATOM 2298 O PHE A 156 1.258 -13.876 1.520 1.00 0.00 O ATOM 2299 CB PHE A 156 2.759 -16.416 1.815 1.00 0.00 C ATOM 2300 CG PHE A 156 3.753 -17.397 2.368 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.857 -17.780 1.622 1.00 0.00 C ATOM 2302 CD2 PHE A 156 3.583 -17.939 3.632 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.773 -18.682 2.129 1.00 0.00 C ATOM 2304 CE2 PHE A 156 4.496 -18.842 4.143 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.592 -19.213 3.390 1.00 0.00 C ATOM 0 H PHE A 156 3.423 -14.739 3.597 1.00 0.00 H new ATOM 0 HA PHE A 156 4.174 -15.154 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.939 -16.304 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.334 -16.821 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.003 -17.369 0.634 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.727 -17.652 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.630 -18.971 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 156 4.352 -19.257 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 156 6.307 -19.918 3.787 1.00 0.00 H new ATOM 2315 N CYS A 157 2.568 -13.637 -0.292 1.00 0.00 N ATOM 2316 CA CYS A 157 1.636 -12.751 -0.982 1.00 0.00 C ATOM 2317 C CYS A 157 0.703 -13.541 -1.893 1.00 0.00 C ATOM 2318 O CYS A 157 0.820 -14.761 -2.011 1.00 0.00 O ATOM 2319 CB CYS A 157 2.402 -11.708 -1.795 1.00 0.00 C ATOM 2320 SG CYS A 157 2.934 -12.290 -3.436 1.00 0.00 S ATOM 0 H CYS A 157 3.424 -13.836 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 157 1.031 -12.244 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.773 -10.827 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.280 -11.395 -1.230 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.239 -12.850 -2.551 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.201 -13.483 -3.458 1.00 0.00 C ATOM 2327 C PRO A 158 -0.516 -14.228 -4.600 1.00 0.00 C ATOM 2328 O PRO A 158 0.417 -13.714 -5.217 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.018 -12.305 -4.003 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.825 -11.211 -3.009 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.439 -11.394 -2.462 1.00 0.00 C ATOM 0 HA PRO A 158 -1.804 -14.233 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -1.669 -12.006 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.071 -12.567 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.934 -10.233 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.569 -11.269 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.301 -10.848 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.360 -11.037 -1.435 1.00 0.00 H new