USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1004 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 94 THR OG1 : rot -69:sc= 1.24 USER MOD Set 1.2: A 112 SER OG : rot 180:sc= 1.04 USER MOD Set 2.1: A 61 LYS NZ :NH3+ -176:sc= -0.115 (180deg=-0.0234) USER MOD Set 2.2: A 86 THR OG1 : rot -140:sc= -0.114 USER MOD Set 3.1: A 53 GLN : amide:sc= -0.802 K(o=-0.45,f=-6.4!) USER MOD Set 3.2: A 85 TYR OH : rot 70:sc= 0.776 USER MOD Set 3.3: A 93 GLN : amide:sc= -0.426 K(o=-0.45,f=-6.5!) USER MOD Set 4.1: A 8 GLN : amide:sc= 0.467! C(o=0.41!,f=-8!) USER MOD Set 4.2: A 37 HIS : no HD1:sc= -0.0602 X(o=0.41,f=0.52) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 10 SER OG : rot 106:sc= 1.24 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 38:sc= 0.174 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -0.016 (180deg=-0.137) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0334 (180deg=-0.362) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 57:sc= -3.2! USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0815 F(o=-0.79,f=-0.082) USER MOD Single : A 45 THR OG1 : rot -135:sc= 0.695 USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0.00557 (180deg=-0.124) USER MOD Single : A 47 TYR OH : rot -6:sc= 0.41 USER MOD Single : A 51 TYR OH : rot 17:sc= 1.21 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -163:sc= -0.11 (180deg=-0.628) USER MOD Single : A 63 SER OG : rot 180:sc= 0.096 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0739 USER MOD Single : A 71 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.034) USER MOD Single : A 74 TYR OH : rot 49:sc= 1.28 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 25:sc= 1.33 USER MOD Single : A 87 SER OG : rot -35:sc= -0.907 USER MOD Single : A 89 SER OG : rot -100:sc= -0.349 USER MOD Single : A 90 THR OG1 : rot -37:sc= 0.421 USER MOD Single : A 92 GLN : amide:sc= -0.0543 K(o=-0.054,f=-1.4) USER MOD Single : A 98 TYR OH : rot 107:sc= 0.323 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 57:sc= 0.911 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0679 F(o=-1.4!,f=-0.068) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 110 THR OG1 : rot -45:sc= 1.25 USER MOD Single : A 114 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.079) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0.0035) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -18:sc= 0.674 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.53) USER MOD Single : A 129 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.0094) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.783 -1.238 0.756 1.00 0.00 N ATOM 2 CA MET A 1 -27.067 -0.843 2.154 1.00 0.00 C ATOM 3 C MET A 1 -26.723 -1.966 3.117 1.00 0.00 C ATOM 4 O MET A 1 -27.026 -3.134 2.868 1.00 0.00 O ATOM 5 CB MET A 1 -28.546 -0.470 2.326 1.00 0.00 C ATOM 6 CG MET A 1 -28.923 -0.112 3.757 1.00 0.00 C ATOM 7 SD MET A 1 -30.679 0.247 3.946 1.00 0.00 S ATOM 8 CE MET A 1 -30.771 0.530 5.713 1.00 0.00 C ATOM 0 H1 MET A 1 -27.026 -0.454 0.117 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.773 -1.464 0.658 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.350 -2.074 0.509 1.00 0.00 H new ATOM 0 HA MET A 1 -26.447 0.025 2.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.777 0.374 1.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.163 -1.305 1.995 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.652 -0.936 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.343 0.754 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.798 0.765 5.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.448 -0.366 6.242 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.122 1.364 5.982 1.00 0.00 H new ATOM 20 N ASN A 2 -26.087 -1.601 4.214 1.00 0.00 N ATOM 21 CA ASN A 2 -25.808 -2.533 5.290 1.00 0.00 C ATOM 22 C ASN A 2 -26.221 -1.896 6.609 1.00 0.00 C ATOM 23 O ASN A 2 -26.011 -0.699 6.810 1.00 0.00 O ATOM 24 CB ASN A 2 -24.322 -2.900 5.302 1.00 0.00 C ATOM 25 CG ASN A 2 -23.973 -3.937 6.351 1.00 0.00 C ATOM 26 OD1 ASN A 2 -24.806 -4.759 6.739 1.00 0.00 O ATOM 27 ND2 ASN A 2 -22.726 -3.928 6.795 1.00 0.00 N ATOM 0 H ASN A 2 -25.750 -0.653 4.384 1.00 0.00 H new ATOM 0 HA ASN A 2 -26.375 -3.452 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -24.039 -3.277 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -23.733 -2.000 5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -22.425 -4.618 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -22.066 -3.231 6.449 1.00 0.00 H new ATOM 34 N ASP A 3 -26.834 -2.679 7.487 1.00 0.00 N ATOM 35 CA ASP A 3 -27.314 -2.158 8.764 1.00 0.00 C ATOM 36 C ASP A 3 -26.148 -1.637 9.596 1.00 0.00 C ATOM 37 O ASP A 3 -25.024 -2.129 9.479 1.00 0.00 O ATOM 38 CB ASP A 3 -28.101 -3.227 9.530 1.00 0.00 C ATOM 39 CG ASP A 3 -29.437 -3.534 8.877 1.00 0.00 C ATOM 40 OD1 ASP A 3 -29.491 -4.424 8.000 1.00 0.00 O ATOM 41 OD2 ASP A 3 -30.444 -2.882 9.232 1.00 0.00 O ATOM 0 H ASP A 3 -27.011 -3.673 7.341 1.00 0.00 H new ATOM 0 HA ASP A 3 -27.991 -1.327 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -27.509 -4.140 9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -28.268 -2.890 10.553 1.00 0.00 H new ATOM 46 N ASP A 4 -26.419 -0.633 10.421 1.00 0.00 N ATOM 47 CA ASP A 4 -25.367 0.090 11.131 1.00 0.00 C ATOM 48 C ASP A 4 -24.558 -0.823 12.040 1.00 0.00 C ATOM 49 O ASP A 4 -25.067 -1.344 13.037 1.00 0.00 O ATOM 50 CB ASP A 4 -25.947 1.240 11.959 1.00 0.00 C ATOM 51 CG ASP A 4 -26.674 2.262 11.113 1.00 0.00 C ATOM 52 OD1 ASP A 4 -26.031 2.916 10.268 1.00 0.00 O ATOM 53 OD2 ASP A 4 -27.900 2.406 11.285 1.00 0.00 O ATOM 0 H ASP A 4 -27.363 -0.299 10.617 1.00 0.00 H new ATOM 0 HA ASP A 4 -24.702 0.493 10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -26.634 0.836 12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -25.141 1.732 12.503 1.00 0.00 H new ATOM 58 N VAL A 5 -23.300 -1.020 11.681 1.00 0.00 N ATOM 59 CA VAL A 5 -22.375 -1.769 12.510 1.00 0.00 C ATOM 60 C VAL A 5 -21.782 -0.861 13.581 1.00 0.00 C ATOM 61 O VAL A 5 -21.781 0.366 13.435 1.00 0.00 O ATOM 62 CB VAL A 5 -21.240 -2.401 11.676 1.00 0.00 C ATOM 63 CG1 VAL A 5 -21.796 -3.448 10.721 1.00 0.00 C ATOM 64 CG2 VAL A 5 -20.469 -1.331 10.910 1.00 0.00 C ATOM 0 H VAL A 5 -22.895 -0.668 10.814 1.00 0.00 H new ATOM 0 HA VAL A 5 -22.935 -2.577 12.981 1.00 0.00 H new ATOM 0 HB VAL A 5 -20.549 -2.893 12.361 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -20.981 -3.882 10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -22.294 -4.232 11.291 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -22.512 -2.980 10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -19.674 -1.800 10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -21.147 -0.805 10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -20.034 -0.622 11.614 1.00 0.00 H new ATOM 74 N ASP A 6 -21.287 -1.455 14.651 1.00 0.00 N ATOM 75 CA ASP A 6 -20.760 -0.686 15.766 1.00 0.00 C ATOM 76 C ASP A 6 -19.387 -1.199 16.180 1.00 0.00 C ATOM 77 O ASP A 6 -19.273 -2.007 17.098 1.00 0.00 O ATOM 78 CB ASP A 6 -21.729 -0.741 16.954 1.00 0.00 C ATOM 79 CG ASP A 6 -21.241 0.050 18.152 1.00 0.00 C ATOM 80 OD1 ASP A 6 -21.347 1.296 18.133 1.00 0.00 O ATOM 81 OD2 ASP A 6 -20.763 -0.568 19.126 1.00 0.00 O ATOM 0 H ASP A 6 -21.238 -2.467 14.773 1.00 0.00 H new ATOM 0 HA ASP A 6 -20.653 0.350 15.445 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -22.700 -0.356 16.642 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -21.877 -1.780 17.247 1.00 0.00 H new ATOM 86 N ILE A 7 -18.359 -0.752 15.458 1.00 0.00 N ATOM 87 CA ILE A 7 -16.964 -1.071 15.773 1.00 0.00 C ATOM 88 C ILE A 7 -16.673 -2.566 15.627 1.00 0.00 C ATOM 89 O ILE A 7 -17.165 -3.396 16.392 1.00 0.00 O ATOM 90 CB ILE A 7 -16.580 -0.591 17.192 1.00 0.00 C ATOM 91 CG1 ILE A 7 -16.762 0.928 17.304 1.00 0.00 C ATOM 92 CG2 ILE A 7 -15.147 -0.984 17.530 1.00 0.00 C ATOM 93 CD1 ILE A 7 -15.956 1.716 16.289 1.00 0.00 C ATOM 0 H ILE A 7 -18.469 -0.157 14.637 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.351 -0.535 15.048 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.241 -1.077 17.910 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -17.818 1.168 17.181 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -16.477 1.246 18.307 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.901 -0.635 18.533 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -15.048 -2.069 17.489 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.466 -0.530 16.811 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.136 2.782 16.430 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -14.895 1.506 16.425 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.257 1.427 15.282 1.00 0.00 H new ATOM 105 N GLN A 8 -15.846 -2.903 14.648 1.00 0.00 N ATOM 106 CA GLN A 8 -15.506 -4.294 14.386 1.00 0.00 C ATOM 107 C GLN A 8 -14.360 -4.736 15.292 1.00 0.00 C ATOM 108 O GLN A 8 -13.978 -5.906 15.299 1.00 0.00 O ATOM 109 CB GLN A 8 -15.118 -4.480 12.919 1.00 0.00 C ATOM 110 CG GLN A 8 -13.862 -3.726 12.528 1.00 0.00 C ATOM 111 CD GLN A 8 -13.474 -3.942 11.081 1.00 0.00 C ATOM 112 OE1 GLN A 8 -13.753 -4.987 10.500 1.00 0.00 O ATOM 113 NE2 GLN A 8 -12.808 -2.963 10.496 1.00 0.00 N ATOM 0 H GLN A 8 -15.398 -2.233 14.023 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.380 -4.911 14.597 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.972 -5.542 12.721 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.943 -4.149 12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.014 -2.661 12.703 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.040 -4.041 13.171 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.596 -2.110 11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.506 -3.060 9.527 1.00 0.00 H new ATOM 122 N GLN A 9 -13.829 -3.775 16.053 1.00 0.00 N ATOM 123 CA GLN A 9 -12.716 -4.012 16.969 1.00 0.00 C ATOM 124 C GLN A 9 -11.496 -4.534 16.223 1.00 0.00 C ATOM 125 O GLN A 9 -11.144 -5.711 16.313 1.00 0.00 O ATOM 126 CB GLN A 9 -13.113 -4.982 18.083 1.00 0.00 C ATOM 127 CG GLN A 9 -14.172 -4.436 19.027 1.00 0.00 C ATOM 128 CD GLN A 9 -14.587 -5.451 20.070 1.00 0.00 C ATOM 129 OE1 GLN A 9 -14.572 -6.655 19.821 1.00 0.00 O ATOM 130 NE2 GLN A 9 -14.959 -4.977 21.246 1.00 0.00 N ATOM 0 H GLN A 9 -14.161 -2.811 16.049 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.458 -3.056 17.425 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -13.481 -5.904 17.634 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.225 -5.241 18.660 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -13.789 -3.544 19.523 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -15.046 -4.131 18.452 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -14.958 -3.971 21.414 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -15.247 -5.617 21.986 1.00 0.00 H new ATOM 139 N SER A 10 -10.864 -3.657 15.471 1.00 0.00 N ATOM 140 CA SER A 10 -9.681 -4.024 14.728 1.00 0.00 C ATOM 141 C SER A 10 -8.452 -3.971 15.623 1.00 0.00 C ATOM 142 O SER A 10 -8.037 -2.900 16.073 1.00 0.00 O ATOM 143 CB SER A 10 -9.516 -3.107 13.519 1.00 0.00 C ATOM 144 OG SER A 10 -10.619 -3.239 12.640 1.00 0.00 O ATOM 0 H SER A 10 -11.152 -2.685 15.359 1.00 0.00 H new ATOM 0 HA SER A 10 -9.793 -5.048 14.371 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.429 -2.072 13.850 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.593 -3.352 12.993 1.00 0.00 H new ATOM 0 HG SER A 10 -11.191 -2.447 12.712 1.00 0.00 H new ATOM 150 N TYR A 11 -7.906 -5.144 15.919 1.00 0.00 N ATOM 151 CA TYR A 11 -6.656 -5.243 16.656 1.00 0.00 C ATOM 152 C TYR A 11 -5.611 -5.992 15.824 1.00 0.00 C ATOM 153 O TYR A 11 -4.602 -5.400 15.455 1.00 0.00 O ATOM 154 CB TYR A 11 -6.856 -5.897 18.032 1.00 0.00 C ATOM 155 CG TYR A 11 -7.785 -5.135 18.953 1.00 0.00 C ATOM 156 CD1 TYR A 11 -7.307 -4.134 19.791 1.00 0.00 C ATOM 157 CD2 TYR A 11 -9.143 -5.426 18.990 1.00 0.00 C ATOM 158 CE1 TYR A 11 -8.154 -3.445 20.638 1.00 0.00 C ATOM 159 CE2 TYR A 11 -9.997 -4.743 19.834 1.00 0.00 C ATOM 160 CZ TYR A 11 -9.500 -3.755 20.656 1.00 0.00 C ATOM 161 OH TYR A 11 -10.351 -3.082 21.503 1.00 0.00 O ATOM 0 H TYR A 11 -8.312 -6.042 15.658 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.290 -4.233 16.840 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.249 -6.904 17.890 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.885 -6.000 18.517 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.255 -3.891 19.780 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.538 -6.199 18.348 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.766 -2.669 21.282 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.050 -4.982 19.850 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.263 -3.422 21.389 1.00 0.00 H new ATOM 171 N PRO A 12 -5.833 -7.279 15.463 1.00 0.00 N ATOM 172 CA PRO A 12 -4.868 -8.020 14.647 1.00 0.00 C ATOM 173 C PRO A 12 -5.006 -7.692 13.163 1.00 0.00 C ATOM 174 O PRO A 12 -6.049 -7.210 12.725 1.00 0.00 O ATOM 175 CB PRO A 12 -5.252 -9.466 14.915 1.00 0.00 C ATOM 176 CG PRO A 12 -6.726 -9.419 15.104 1.00 0.00 C ATOM 177 CD PRO A 12 -7.009 -8.116 15.799 1.00 0.00 C ATOM 0 HA PRO A 12 -3.833 -7.782 14.894 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.977 -10.113 14.082 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.749 -9.855 15.800 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.245 -9.472 14.147 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.071 -10.263 15.701 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.936 -7.666 15.444 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.111 -8.250 16.876 1.00 0.00 H new ATOM 185 N PHE A 13 -3.968 -7.947 12.386 1.00 0.00 N ATOM 186 CA PHE A 13 -4.003 -7.609 10.969 1.00 0.00 C ATOM 187 C PHE A 13 -4.830 -8.602 10.153 1.00 0.00 C ATOM 188 O PHE A 13 -4.741 -9.814 10.345 1.00 0.00 O ATOM 189 CB PHE A 13 -2.588 -7.540 10.398 1.00 0.00 C ATOM 190 CG PHE A 13 -2.195 -6.165 9.952 1.00 0.00 C ATOM 191 CD1 PHE A 13 -2.992 -5.453 9.071 1.00 0.00 C ATOM 192 CD2 PHE A 13 -1.032 -5.582 10.416 1.00 0.00 C ATOM 193 CE1 PHE A 13 -2.629 -4.184 8.662 1.00 0.00 C ATOM 194 CE2 PHE A 13 -0.665 -4.315 10.012 1.00 0.00 C ATOM 195 CZ PHE A 13 -1.464 -3.614 9.133 1.00 0.00 C ATOM 0 H PHE A 13 -3.101 -8.381 12.703 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.481 -6.632 10.893 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.882 -7.885 11.153 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.511 -8.224 9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.906 -5.894 8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.402 -6.125 11.104 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.257 -3.638 7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.247 -3.872 10.384 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.179 -2.622 8.814 1.00 0.00 H new ATOM 205 N SER A 14 -5.654 -8.054 9.266 1.00 0.00 N ATOM 206 CA SER A 14 -6.335 -8.818 8.224 1.00 0.00 C ATOM 207 C SER A 14 -6.943 -7.829 7.234 1.00 0.00 C ATOM 208 O SER A 14 -7.883 -7.105 7.573 1.00 0.00 O ATOM 209 CB SER A 14 -7.421 -9.730 8.812 1.00 0.00 C ATOM 210 OG SER A 14 -7.916 -10.644 7.846 1.00 0.00 O ATOM 0 H SER A 14 -5.871 -7.057 9.249 1.00 0.00 H new ATOM 0 HA SER A 14 -5.617 -9.466 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.014 -10.281 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.242 -9.121 9.192 1.00 0.00 H new ATOM 0 HG SER A 14 -8.604 -11.210 8.254 1.00 0.00 H new ATOM 216 N ILE A 15 -6.394 -7.769 6.032 1.00 0.00 N ATOM 217 CA ILE A 15 -6.833 -6.789 5.050 1.00 0.00 C ATOM 218 C ILE A 15 -7.137 -7.443 3.715 1.00 0.00 C ATOM 219 O ILE A 15 -6.355 -8.262 3.225 1.00 0.00 O ATOM 220 CB ILE A 15 -5.769 -5.687 4.835 1.00 0.00 C ATOM 221 CG1 ILE A 15 -5.562 -4.891 6.123 1.00 0.00 C ATOM 222 CG2 ILE A 15 -6.165 -4.759 3.691 1.00 0.00 C ATOM 223 CD1 ILE A 15 -4.615 -3.721 5.971 1.00 0.00 C ATOM 0 H ILE A 15 -5.646 -8.385 5.713 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.742 -6.337 5.446 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.829 -6.169 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.527 -4.523 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.179 -5.559 6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.400 -3.994 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.261 -5.336 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.118 -4.283 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.518 -3.205 6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.637 -4.083 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.006 -3.031 5.223 1.00 0.00 H new ATOM 235 N GLU A 16 -8.275 -7.094 3.140 1.00 0.00 N ATOM 236 CA GLU A 16 -8.588 -7.500 1.786 1.00 0.00 C ATOM 237 C GLU A 16 -8.360 -6.329 0.851 1.00 0.00 C ATOM 238 O GLU A 16 -8.743 -5.197 1.152 1.00 0.00 O ATOM 239 CB GLU A 16 -10.024 -8.007 1.668 1.00 0.00 C ATOM 240 CG GLU A 16 -10.107 -9.424 1.124 1.00 0.00 C ATOM 241 CD GLU A 16 -9.496 -9.569 -0.256 1.00 0.00 C ATOM 242 OE1 GLU A 16 -8.250 -9.573 -0.364 1.00 0.00 O ATOM 243 OE2 GLU A 16 -10.256 -9.696 -1.239 1.00 0.00 O ATOM 0 H GLU A 16 -8.996 -6.531 3.592 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.932 -8.325 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.499 -7.971 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.588 -7.339 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.600 -10.101 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.152 -9.731 1.086 1.00 0.00 H new ATOM 250 N THR A 17 -7.724 -6.602 -0.267 1.00 0.00 N ATOM 251 CA THR A 17 -7.320 -5.553 -1.180 1.00 0.00 C ATOM 252 C THR A 17 -7.967 -5.721 -2.545 1.00 0.00 C ATOM 253 O THR A 17 -7.888 -6.793 -3.152 1.00 0.00 O ATOM 254 CB THR A 17 -5.789 -5.535 -1.345 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.325 -6.845 -1.704 1.00 0.00 O ATOM 256 CG2 THR A 17 -5.111 -5.084 -0.061 1.00 0.00 C ATOM 0 H THR A 17 -7.474 -7.544 -0.567 1.00 0.00 H new ATOM 0 HA THR A 17 -7.652 -4.608 -0.750 1.00 0.00 H new ATOM 0 HB THR A 17 -5.536 -4.828 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.969 -7.265 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.030 -5.079 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.448 -4.079 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.368 -5.769 0.746 1.00 0.00 H new ATOM 264 N MET A 18 -8.616 -4.667 -3.016 1.00 0.00 N ATOM 265 CA MET A 18 -9.176 -4.656 -4.355 1.00 0.00 C ATOM 266 C MET A 18 -8.052 -4.554 -5.380 1.00 0.00 C ATOM 267 O MET A 18 -7.166 -3.708 -5.254 1.00 0.00 O ATOM 268 CB MET A 18 -10.165 -3.495 -4.529 1.00 0.00 C ATOM 269 CG MET A 18 -11.496 -3.696 -3.813 1.00 0.00 C ATOM 270 SD MET A 18 -11.347 -3.725 -2.014 1.00 0.00 S ATOM 271 CE MET A 18 -13.050 -4.014 -1.538 1.00 0.00 C ATOM 0 H MET A 18 -8.767 -3.807 -2.488 1.00 0.00 H new ATOM 0 HA MET A 18 -9.722 -5.586 -4.511 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.702 -2.580 -4.161 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.355 -3.351 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 18 -12.179 -2.897 -4.100 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.942 -4.632 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.122 -4.058 -0.451 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.675 -3.202 -1.911 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.391 -4.958 -1.962 1.00 0.00 H new ATOM 281 N PRO A 19 -8.064 -5.434 -6.391 1.00 0.00 N ATOM 282 CA PRO A 19 -7.012 -5.493 -7.414 1.00 0.00 C ATOM 283 C PRO A 19 -6.847 -4.175 -8.171 1.00 0.00 C ATOM 284 O PRO A 19 -7.814 -3.441 -8.400 1.00 0.00 O ATOM 285 CB PRO A 19 -7.486 -6.599 -8.363 1.00 0.00 C ATOM 286 CG PRO A 19 -8.441 -7.413 -7.561 1.00 0.00 C ATOM 287 CD PRO A 19 -9.105 -6.453 -6.618 1.00 0.00 C ATOM 0 HA PRO A 19 -6.036 -5.685 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.969 -6.181 -9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.649 -7.204 -8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.174 -7.901 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.921 -8.201 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.006 -6.019 -7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.402 -6.940 -5.689 1.00 0.00 H new ATOM 295 N VAL A 20 -5.612 -3.887 -8.550 1.00 0.00 N ATOM 296 CA VAL A 20 -5.284 -2.665 -9.270 1.00 0.00 C ATOM 297 C VAL A 20 -5.233 -2.926 -10.775 1.00 0.00 C ATOM 298 O VAL A 20 -5.240 -4.082 -11.206 1.00 0.00 O ATOM 299 CB VAL A 20 -3.922 -2.099 -8.801 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.992 -1.671 -7.344 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.815 -3.126 -9.000 1.00 0.00 C ATOM 0 H VAL A 20 -4.810 -4.491 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.064 -1.934 -9.058 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.692 -1.223 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.025 -1.276 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.753 -0.899 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.249 -2.530 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.866 -2.708 -8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.042 -4.022 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.744 -3.384 -10.057 1.00 0.00 H new ATOM 311 N PRO A 21 -5.207 -1.860 -11.596 1.00 0.00 N ATOM 312 CA PRO A 21 -5.033 -1.991 -13.044 1.00 0.00 C ATOM 313 C PRO A 21 -3.738 -2.720 -13.384 1.00 0.00 C ATOM 314 O PRO A 21 -2.716 -2.529 -12.725 1.00 0.00 O ATOM 315 CB PRO A 21 -4.977 -0.543 -13.542 1.00 0.00 C ATOM 316 CG PRO A 21 -5.638 0.258 -12.476 1.00 0.00 C ATOM 317 CD PRO A 21 -5.359 -0.456 -11.184 1.00 0.00 C ATOM 0 HA PRO A 21 -5.833 -2.571 -13.504 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.948 -0.219 -13.698 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.494 -0.433 -14.495 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.245 1.274 -12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.710 0.335 -12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.457 -0.078 -10.703 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.175 -0.332 -10.472 1.00 0.00 H new ATOM 325 N LYS A 22 -3.789 -3.555 -14.412 1.00 0.00 N ATOM 326 CA LYS A 22 -2.635 -4.350 -14.803 1.00 0.00 C ATOM 327 C LYS A 22 -1.568 -3.462 -15.427 1.00 0.00 C ATOM 328 O LYS A 22 -0.397 -3.523 -15.057 1.00 0.00 O ATOM 329 CB LYS A 22 -3.049 -5.447 -15.788 1.00 0.00 C ATOM 330 CG LYS A 22 -4.161 -6.350 -15.273 1.00 0.00 C ATOM 331 CD LYS A 22 -4.491 -7.446 -16.269 1.00 0.00 C ATOM 332 CE LYS A 22 -5.677 -8.285 -15.811 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.438 -8.919 -14.488 1.00 0.00 N ATOM 0 H LYS A 22 -4.617 -3.699 -14.990 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.223 -4.821 -13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.373 -4.982 -16.719 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.178 -6.058 -16.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.860 -6.796 -14.325 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.053 -5.755 -15.076 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.713 -7.001 -17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.621 -8.089 -16.404 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.565 -7.656 -15.755 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.880 -9.059 -16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.200 -9.598 -14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.525 -9.417 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.422 -8.187 -13.750 1.00 0.00 H new ATOM 347 N LYS A 23 -1.981 -2.619 -16.360 1.00 0.00 N ATOM 348 CA LYS A 23 -1.052 -1.724 -17.026 1.00 0.00 C ATOM 349 C LYS A 23 -1.270 -0.288 -16.564 1.00 0.00 C ATOM 350 O LYS A 23 -2.409 0.158 -16.407 1.00 0.00 O ATOM 351 CB LYS A 23 -1.199 -1.830 -18.547 1.00 0.00 C ATOM 352 CG LYS A 23 -2.539 -1.346 -19.080 1.00 0.00 C ATOM 353 CD LYS A 23 -2.736 -1.747 -20.532 1.00 0.00 C ATOM 354 CE LYS A 23 -2.902 -3.251 -20.667 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.144 -3.727 -20.001 1.00 0.00 N ATOM 0 H LYS A 23 -2.949 -2.537 -16.671 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.037 -2.020 -16.759 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.403 -1.253 -19.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.057 -2.869 -18.843 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.344 -1.761 -18.474 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.598 -0.261 -18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.615 -1.244 -20.935 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.881 -1.418 -21.122 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.928 -3.521 -21.723 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.039 -3.754 -20.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.389 -4.673 -20.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.991 -3.774 -18.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.922 -3.068 -20.205 1.00 0.00 H new ATOM 369 N LEU A 24 -0.178 0.422 -16.334 1.00 0.00 N ATOM 370 CA LEU A 24 -0.239 1.803 -15.882 1.00 0.00 C ATOM 371 C LEU A 24 0.712 2.665 -16.703 1.00 0.00 C ATOM 372 O LEU A 24 1.719 2.173 -17.218 1.00 0.00 O ATOM 373 CB LEU A 24 0.116 1.891 -14.394 1.00 0.00 C ATOM 374 CG LEU A 24 -0.889 1.234 -13.440 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.347 1.217 -12.021 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.222 1.962 -13.485 1.00 0.00 C ATOM 0 H LEU A 24 0.769 0.062 -16.454 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.255 2.172 -16.019 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.091 1.429 -14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.216 2.942 -14.123 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.044 0.205 -13.764 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.075 0.747 -11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.585 0.653 -11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.162 2.239 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.922 1.481 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.079 3.001 -13.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.622 1.927 -14.498 1.00 0.00 H new ATOM 388 N LYS A 25 0.381 3.940 -16.838 1.00 0.00 N ATOM 389 CA LYS A 25 1.197 4.867 -17.614 1.00 0.00 C ATOM 390 C LYS A 25 1.877 5.862 -16.686 1.00 0.00 C ATOM 391 O LYS A 25 1.461 6.028 -15.541 1.00 0.00 O ATOM 392 CB LYS A 25 0.332 5.623 -18.627 1.00 0.00 C ATOM 393 CG LYS A 25 -0.417 4.721 -19.598 1.00 0.00 C ATOM 394 CD LYS A 25 0.540 3.929 -20.476 1.00 0.00 C ATOM 395 CE LYS A 25 -0.208 2.998 -21.418 1.00 0.00 C ATOM 396 NZ LYS A 25 0.719 2.208 -22.268 1.00 0.00 N ATOM 0 H LYS A 25 -0.449 4.359 -16.420 1.00 0.00 H new ATOM 0 HA LYS A 25 1.953 4.295 -18.151 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.389 6.236 -18.087 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.967 6.303 -19.195 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.054 4.034 -19.040 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.072 5.325 -20.225 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.157 4.616 -21.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.215 3.347 -19.848 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.834 2.321 -20.837 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.874 3.582 -22.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.170 1.586 -22.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.299 2.853 -22.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.338 1.631 -21.663 1.00 0.00 H new ATOM 410 N VAL A 26 2.920 6.518 -17.175 1.00 0.00 N ATOM 411 CA VAL A 26 3.596 7.542 -16.391 1.00 0.00 C ATOM 412 C VAL A 26 2.661 8.726 -16.153 1.00 0.00 C ATOM 413 O VAL A 26 2.300 9.448 -17.083 1.00 0.00 O ATOM 414 CB VAL A 26 4.892 8.031 -17.073 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.584 9.091 -16.226 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.830 6.863 -17.337 1.00 0.00 C ATOM 0 H VAL A 26 3.314 6.362 -18.103 1.00 0.00 H new ATOM 0 HA VAL A 26 3.870 7.092 -15.437 1.00 0.00 H new ATOM 0 HB VAL A 26 4.624 8.482 -18.029 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.494 9.420 -16.727 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.916 9.942 -16.091 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.837 8.671 -15.253 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.738 7.227 -17.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.087 6.382 -16.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.338 6.142 -17.989 1.00 0.00 H new ATOM 426 N GLY A 27 2.263 8.907 -14.902 1.00 0.00 N ATOM 427 CA GLY A 27 1.325 9.955 -14.562 1.00 0.00 C ATOM 428 C GLY A 27 -0.040 9.400 -14.198 1.00 0.00 C ATOM 429 O GLY A 27 -0.981 10.153 -13.939 1.00 0.00 O ATOM 0 H GLY A 27 2.576 8.342 -14.112 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.716 10.534 -13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.225 10.640 -15.404 1.00 0.00 H new ATOM 433 N GLU A 28 -0.153 8.080 -14.188 1.00 0.00 N ATOM 434 CA GLU A 28 -1.399 7.420 -13.827 1.00 0.00 C ATOM 435 C GLU A 28 -1.454 7.187 -12.317 1.00 0.00 C ATOM 436 O GLU A 28 -0.424 7.204 -11.641 1.00 0.00 O ATOM 437 CB GLU A 28 -1.530 6.101 -14.602 1.00 0.00 C ATOM 438 CG GLU A 28 -2.866 5.402 -14.423 1.00 0.00 C ATOM 439 CD GLU A 28 -4.041 6.344 -14.576 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.270 6.854 -15.689 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.743 6.579 -13.575 1.00 0.00 O ATOM 0 H GLU A 28 0.607 7.443 -14.427 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.240 8.059 -14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.376 6.299 -15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.735 5.426 -14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.952 4.598 -15.154 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.901 4.941 -13.436 1.00 0.00 H new ATOM 448 N THR A 29 -2.653 7.004 -11.782 1.00 0.00 N ATOM 449 CA THR A 29 -2.825 6.801 -10.356 1.00 0.00 C ATOM 450 C THR A 29 -3.634 5.538 -10.083 1.00 0.00 C ATOM 451 O THR A 29 -4.781 5.416 -10.519 1.00 0.00 O ATOM 452 CB THR A 29 -3.534 8.006 -9.710 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.936 9.223 -10.173 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.444 7.941 -8.193 1.00 0.00 C ATOM 0 H THR A 29 -3.521 6.992 -12.318 1.00 0.00 H new ATOM 0 HA THR A 29 -1.832 6.694 -9.919 1.00 0.00 H new ATOM 0 HB THR A 29 -4.585 7.979 -9.996 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.390 9.988 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.952 8.803 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.918 7.025 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.397 7.948 -7.890 1.00 0.00 H new ATOM 462 N ALA A 30 -3.030 4.598 -9.373 1.00 0.00 N ATOM 463 CA ALA A 30 -3.705 3.361 -9.018 1.00 0.00 C ATOM 464 C ALA A 30 -4.210 3.424 -7.582 1.00 0.00 C ATOM 465 O ALA A 30 -3.419 3.508 -6.640 1.00 0.00 O ATOM 466 CB ALA A 30 -2.771 2.174 -9.205 1.00 0.00 C ATOM 0 H ALA A 30 -2.072 4.669 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.562 3.232 -9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.292 1.255 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.456 2.120 -10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.896 2.296 -8.567 1.00 0.00 H new ATOM 472 N GLU A 31 -5.528 3.413 -7.423 1.00 0.00 N ATOM 473 CA GLU A 31 -6.135 3.442 -6.101 1.00 0.00 C ATOM 474 C GLU A 31 -6.222 2.032 -5.530 1.00 0.00 C ATOM 475 O GLU A 31 -7.083 1.241 -5.919 1.00 0.00 O ATOM 476 CB GLU A 31 -7.537 4.073 -6.152 1.00 0.00 C ATOM 477 CG GLU A 31 -8.228 4.133 -4.796 1.00 0.00 C ATOM 478 CD GLU A 31 -9.643 4.677 -4.870 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.566 3.903 -5.204 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.842 5.874 -4.575 1.00 0.00 O ATOM 0 H GLU A 31 -6.195 3.384 -8.194 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.506 4.053 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.457 5.083 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.158 3.502 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.252 3.133 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.640 4.757 -4.123 1.00 0.00 H new ATOM 487 N ILE A 32 -5.310 1.711 -4.627 1.00 0.00 N ATOM 488 CA ILE A 32 -5.340 0.429 -3.949 1.00 0.00 C ATOM 489 C ILE A 32 -6.323 0.500 -2.789 1.00 0.00 C ATOM 490 O ILE A 32 -6.002 1.026 -1.717 1.00 0.00 O ATOM 491 CB ILE A 32 -3.948 0.026 -3.414 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.887 0.192 -4.507 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.973 -1.410 -2.909 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.472 -0.068 -4.031 1.00 0.00 C ATOM 0 H ILE A 32 -4.541 2.321 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.651 -0.326 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.691 0.682 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.115 -0.488 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.946 1.204 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.986 -1.681 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.703 -1.500 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.248 -2.078 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.778 0.069 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.223 0.629 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.395 -1.090 -3.659 1.00 0.00 H new ATOM 506 N ARG A 33 -7.525 -0.002 -3.015 1.00 0.00 N ATOM 507 CA ARG A 33 -8.563 0.039 -2.002 1.00 0.00 C ATOM 508 C ARG A 33 -8.373 -1.120 -1.036 1.00 0.00 C ATOM 509 O ARG A 33 -8.479 -2.286 -1.421 1.00 0.00 O ATOM 510 CB ARG A 33 -9.953 -0.021 -2.650 1.00 0.00 C ATOM 511 CG ARG A 33 -11.061 0.498 -1.748 1.00 0.00 C ATOM 512 CD ARG A 33 -12.422 0.445 -2.429 1.00 0.00 C ATOM 513 NE ARG A 33 -13.407 1.266 -1.725 1.00 0.00 N ATOM 514 CZ ARG A 33 -14.726 1.076 -1.774 1.00 0.00 C ATOM 515 NH1 ARG A 33 -15.243 0.069 -2.466 1.00 0.00 N ATOM 516 NH2 ARG A 33 -15.534 1.909 -1.126 1.00 0.00 N ATOM 0 H ARG A 33 -7.805 -0.442 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.489 0.978 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.942 0.561 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.173 -1.052 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.090 -0.093 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.841 1.525 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.328 0.790 -3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.770 -0.587 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.060 2.039 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.630 -0.572 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.254 -0.064 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.144 2.688 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.544 1.769 -1.159 1.00 0.00 H new ATOM 530 N CYS A 34 -8.066 -0.797 0.211 1.00 0.00 N ATOM 531 CA CYS A 34 -7.804 -1.816 1.211 1.00 0.00 C ATOM 532 C CYS A 34 -8.771 -1.682 2.375 1.00 0.00 C ATOM 533 O CYS A 34 -8.912 -0.604 2.955 1.00 0.00 O ATOM 534 CB CYS A 34 -6.366 -1.690 1.717 1.00 0.00 C ATOM 535 SG CYS A 34 -5.129 -1.568 0.406 1.00 0.00 S ATOM 0 H CYS A 34 -7.993 0.161 0.552 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.942 -2.795 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.293 -0.808 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.135 -2.554 2.340 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.411 -0.559 -0.364 1.00 0.00 H new ATOM 541 N GLN A 35 -9.448 -2.766 2.708 1.00 0.00 N ATOM 542 CA GLN A 35 -10.312 -2.776 3.875 1.00 0.00 C ATOM 543 C GLN A 35 -9.767 -3.728 4.922 1.00 0.00 C ATOM 544 O GLN A 35 -9.597 -4.924 4.667 1.00 0.00 O ATOM 545 CB GLN A 35 -11.754 -3.167 3.532 1.00 0.00 C ATOM 546 CG GLN A 35 -12.609 -3.392 4.776 1.00 0.00 C ATOM 547 CD GLN A 35 -14.048 -3.755 4.472 1.00 0.00 C ATOM 548 OE1 GLN A 35 -14.600 -3.179 3.419 1.00 0.00 O flip ATOM 549 NE2 GLN A 35 -14.673 -4.518 5.207 1.00 0.00 N flip ATOM 0 H GLN A 35 -9.417 -3.645 2.191 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.328 -1.759 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.204 -2.384 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.747 -4.076 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.162 -4.187 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.593 -2.488 5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.212 -4.944 6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.653 -4.725 5.012 1.00 0.00 H new ATOM 558 N LEU A 36 -9.476 -3.189 6.087 1.00 0.00 N ATOM 559 CA LEU A 36 -9.095 -4.002 7.218 1.00 0.00 C ATOM 560 C LEU A 36 -10.361 -4.457 7.923 1.00 0.00 C ATOM 561 O LEU A 36 -11.176 -3.633 8.338 1.00 0.00 O ATOM 562 CB LEU A 36 -8.188 -3.206 8.156 1.00 0.00 C ATOM 563 CG LEU A 36 -7.426 -4.032 9.192 1.00 0.00 C ATOM 564 CD1 LEU A 36 -6.155 -3.306 9.595 1.00 0.00 C ATOM 565 CD2 LEU A 36 -8.280 -4.298 10.417 1.00 0.00 C ATOM 0 H LEU A 36 -9.497 -2.187 6.274 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.533 -4.876 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.466 -2.655 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.795 -2.468 8.680 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.171 -4.991 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.616 -3.899 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.526 -3.160 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.410 -2.337 10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.711 -4.888 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.569 -3.351 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.175 -4.847 10.124 1.00 0.00 H new ATOM 577 N HIS A 37 -10.542 -5.762 8.024 1.00 0.00 N ATOM 578 CA HIS A 37 -11.775 -6.315 8.566 1.00 0.00 C ATOM 579 C HIS A 37 -11.473 -7.328 9.664 1.00 0.00 C ATOM 580 O HIS A 37 -11.013 -8.436 9.390 1.00 0.00 O ATOM 581 CB HIS A 37 -12.599 -6.961 7.441 1.00 0.00 C ATOM 582 CG HIS A 37 -13.953 -7.447 7.871 1.00 0.00 C ATOM 583 ND1 HIS A 37 -14.354 -8.760 7.761 1.00 0.00 N ATOM 584 CD2 HIS A 37 -15.002 -6.783 8.405 1.00 0.00 C ATOM 585 CE1 HIS A 37 -15.588 -8.883 8.214 1.00 0.00 C ATOM 586 NE2 HIS A 37 -16.004 -7.696 8.612 1.00 0.00 N ATOM 0 H HIS A 37 -9.854 -6.459 7.739 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.358 -5.506 9.006 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.724 -6.237 6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.038 -7.800 7.031 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.044 -5.727 8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -16.159 -9.799 8.252 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -16.921 -7.491 9.009 1.00 0.00 H new ATOM 595 N ARG A 38 -11.715 -6.939 10.911 1.00 0.00 N ATOM 596 CA ARG A 38 -11.449 -7.816 12.040 1.00 0.00 C ATOM 597 C ARG A 38 -12.701 -8.147 12.838 1.00 0.00 C ATOM 598 O ARG A 38 -13.778 -7.601 12.604 1.00 0.00 O ATOM 599 CB ARG A 38 -10.399 -7.228 12.981 1.00 0.00 C ATOM 600 CG ARG A 38 -9.000 -7.168 12.393 1.00 0.00 C ATOM 601 CD ARG A 38 -8.649 -8.420 11.592 1.00 0.00 C ATOM 602 NE ARG A 38 -9.142 -9.659 12.202 1.00 0.00 N ATOM 603 CZ ARG A 38 -8.408 -10.759 12.361 1.00 0.00 C ATOM 604 NH1 ARG A 38 -7.111 -10.749 12.074 1.00 0.00 N ATOM 605 NH2 ARG A 38 -8.975 -11.866 12.823 1.00 0.00 N ATOM 0 H ARG A 38 -12.093 -6.026 11.163 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.067 -8.739 11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.705 -6.221 13.265 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.372 -7.823 13.894 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.917 -6.293 11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.276 -7.040 13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.064 -8.328 10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.566 -8.482 11.485 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.109 -9.680 12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.671 -9.895 11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.555 -11.595 12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.968 -11.872 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.418 -12.711 12.947 1.00 0.00 H new ATOM 619 N ASP A 39 -12.523 -9.059 13.786 1.00 0.00 N ATOM 620 CA ASP A 39 -13.611 -9.564 14.608 1.00 0.00 C ATOM 621 C ASP A 39 -13.509 -9.004 16.023 1.00 0.00 C ATOM 622 O ASP A 39 -14.519 -8.792 16.693 1.00 0.00 O ATOM 623 CB ASP A 39 -13.550 -11.097 14.673 1.00 0.00 C ATOM 624 CG ASP A 39 -12.890 -11.713 13.454 1.00 0.00 C ATOM 625 OD1 ASP A 39 -11.636 -11.774 13.425 1.00 0.00 O ATOM 626 OD2 ASP A 39 -13.610 -12.135 12.524 1.00 0.00 O ATOM 0 H ASP A 39 -11.615 -9.470 14.006 1.00 0.00 H new ATOM 0 HA ASP A 39 -14.555 -9.251 14.161 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.003 -11.396 15.567 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.561 -11.492 14.771 1.00 0.00 H new ATOM 631 N GLY A 40 -12.278 -8.774 16.470 1.00 0.00 N ATOM 632 CA GLY A 40 -12.049 -8.290 17.816 1.00 0.00 C ATOM 633 C GLY A 40 -11.123 -9.205 18.592 1.00 0.00 C ATOM 634 O GLY A 40 -10.041 -9.548 18.104 1.00 0.00 O ATOM 0 H GLY A 40 -11.432 -8.916 15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.620 -7.289 17.774 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.001 -8.207 18.340 1.00 0.00 H new ATOM 638 N ARG A 41 -11.555 -9.589 19.794 1.00 0.00 N ATOM 639 CA ARG A 41 -10.851 -10.563 20.637 1.00 0.00 C ATOM 640 C ARG A 41 -9.561 -9.986 21.231 1.00 0.00 C ATOM 641 O ARG A 41 -9.475 -9.773 22.439 1.00 0.00 O ATOM 642 CB ARG A 41 -10.554 -11.849 19.845 1.00 0.00 C ATOM 643 CG ARG A 41 -10.320 -13.092 20.700 1.00 0.00 C ATOM 644 CD ARG A 41 -8.950 -13.103 21.369 1.00 0.00 C ATOM 645 NE ARG A 41 -8.678 -14.380 22.027 1.00 0.00 N ATOM 646 CZ ARG A 41 -7.605 -14.627 22.784 1.00 0.00 C ATOM 647 NH1 ARG A 41 -6.735 -13.660 23.050 1.00 0.00 N ATOM 648 NH2 ARG A 41 -7.423 -15.834 23.301 1.00 0.00 N ATOM 0 H ARG A 41 -12.412 -9.231 20.216 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.510 -10.806 21.470 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.387 -12.042 19.169 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.673 -11.681 19.225 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.093 -13.151 21.466 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.421 -13.980 20.076 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.180 -12.907 20.623 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.897 -12.298 22.102 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.353 -15.134 21.899 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.884 -12.723 22.676 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.918 -13.854 23.628 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.102 -16.574 23.121 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.604 -16.023 23.879 1.00 0.00 H new ATOM 662 N PHE A 42 -8.574 -9.723 20.378 1.00 0.00 N ATOM 663 CA PHE A 42 -7.221 -9.388 20.828 1.00 0.00 C ATOM 664 C PHE A 42 -7.155 -8.058 21.576 1.00 0.00 C ATOM 665 O PHE A 42 -8.057 -7.225 21.480 1.00 0.00 O ATOM 666 CB PHE A 42 -6.253 -9.372 19.644 1.00 0.00 C ATOM 667 CG PHE A 42 -6.028 -10.734 19.051 1.00 0.00 C ATOM 668 CD1 PHE A 42 -5.053 -11.574 19.565 1.00 0.00 C ATOM 669 CD2 PHE A 42 -6.797 -11.181 17.989 1.00 0.00 C ATOM 670 CE1 PHE A 42 -4.848 -12.831 19.029 1.00 0.00 C ATOM 671 CE2 PHE A 42 -6.598 -12.437 17.450 1.00 0.00 C ATOM 672 CZ PHE A 42 -5.621 -13.264 17.970 1.00 0.00 C ATOM 0 H PHE A 42 -8.685 -9.735 19.364 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.926 -10.165 21.533 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.641 -8.706 18.873 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.297 -8.961 19.969 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.446 -11.242 20.394 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.562 -10.539 17.577 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.083 -13.475 19.438 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.206 -12.772 16.623 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.462 -14.246 17.549 1.00 0.00 H new ATOM 682 N GLU A 43 -6.070 -7.877 22.318 1.00 0.00 N ATOM 683 CA GLU A 43 -5.891 -6.702 23.158 1.00 0.00 C ATOM 684 C GLU A 43 -4.764 -5.821 22.638 1.00 0.00 C ATOM 685 O GLU A 43 -3.662 -6.312 22.391 1.00 0.00 O ATOM 686 CB GLU A 43 -5.545 -7.132 24.581 1.00 0.00 C ATOM 687 CG GLU A 43 -6.552 -8.069 25.217 1.00 0.00 C ATOM 688 CD GLU A 43 -6.029 -8.657 26.506 1.00 0.00 C ATOM 689 OE1 GLU A 43 -5.988 -7.931 27.521 1.00 0.00 O ATOM 690 OE2 GLU A 43 -5.634 -9.838 26.507 1.00 0.00 O ATOM 0 H GLU A 43 -5.293 -8.537 22.354 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.824 -6.138 23.143 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.570 -7.619 24.573 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.452 -6.242 25.203 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.479 -7.529 25.412 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.792 -8.873 24.521 1.00 0.00 H new ATOM 697 N GLU A 44 -5.056 -4.527 22.484 1.00 0.00 N ATOM 698 CA GLU A 44 -4.046 -3.512 22.171 1.00 0.00 C ATOM 699 C GLU A 44 -3.102 -3.933 21.052 1.00 0.00 C ATOM 700 O GLU A 44 -2.004 -4.433 21.301 1.00 0.00 O ATOM 701 CB GLU A 44 -3.246 -3.160 23.423 1.00 0.00 C ATOM 702 CG GLU A 44 -3.947 -2.155 24.312 1.00 0.00 C ATOM 703 CD GLU A 44 -4.160 -0.842 23.601 1.00 0.00 C ATOM 704 OE1 GLU A 44 -3.222 -0.019 23.575 1.00 0.00 O ATOM 705 OE2 GLU A 44 -5.255 -0.632 23.046 1.00 0.00 O ATOM 0 H GLU A 44 -6.001 -4.153 22.573 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.586 -2.634 21.816 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.055 -4.069 23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.276 -2.760 23.127 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.909 -2.558 24.630 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.356 -1.990 25.213 1.00 0.00 H new ATOM 712 N THR A 45 -3.526 -3.728 19.824 1.00 0.00 N ATOM 713 CA THR A 45 -2.705 -4.072 18.684 1.00 0.00 C ATOM 714 C THR A 45 -2.784 -2.967 17.632 1.00 0.00 C ATOM 715 O THR A 45 -3.850 -2.699 17.079 1.00 0.00 O ATOM 716 CB THR A 45 -3.146 -5.426 18.091 1.00 0.00 C ATOM 717 OG1 THR A 45 -3.369 -6.360 19.159 1.00 0.00 O ATOM 718 CG2 THR A 45 -2.089 -5.981 17.145 1.00 0.00 C ATOM 0 H THR A 45 -4.433 -3.325 19.590 1.00 0.00 H new ATOM 0 HA THR A 45 -1.669 -4.167 19.010 1.00 0.00 H new ATOM 0 HB THR A 45 -4.065 -5.273 17.526 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.952 -7.218 18.935 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.427 -6.936 16.742 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.928 -5.279 16.327 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.155 -6.126 17.688 1.00 0.00 H new ATOM 726 N LYS A 46 -1.662 -2.293 17.405 1.00 0.00 N ATOM 727 CA LYS A 46 -1.604 -1.201 16.443 1.00 0.00 C ATOM 728 C LYS A 46 -1.041 -1.679 15.110 1.00 0.00 C ATOM 729 O LYS A 46 -0.341 -2.693 15.043 1.00 0.00 O ATOM 730 CB LYS A 46 -0.756 -0.037 16.974 1.00 0.00 C ATOM 731 CG LYS A 46 -1.550 1.034 17.712 1.00 0.00 C ATOM 732 CD LYS A 46 -1.896 0.637 19.142 1.00 0.00 C ATOM 733 CE LYS A 46 -2.697 1.738 19.829 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.812 1.534 21.301 1.00 0.00 N ATOM 0 H LYS A 46 -0.778 -2.485 17.876 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.624 -0.848 16.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.006 -0.435 17.645 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.233 0.427 16.138 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.975 1.960 17.727 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.470 1.239 17.165 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.471 -0.289 19.138 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.981 0.443 19.702 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.223 2.700 19.636 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.695 1.781 19.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.583 2.124 21.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.015 0.533 21.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.918 1.803 21.760 1.00 0.00 H new ATOM 748 N TYR A 47 -1.332 -0.926 14.056 1.00 0.00 N ATOM 749 CA TYR A 47 -0.920 -1.291 12.705 1.00 0.00 C ATOM 750 C TYR A 47 0.174 -0.359 12.202 1.00 0.00 C ATOM 751 O TYR A 47 0.060 0.863 12.324 1.00 0.00 O ATOM 752 CB TYR A 47 -2.116 -1.221 11.756 1.00 0.00 C ATOM 753 CG TYR A 47 -3.289 -2.071 12.179 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.222 -3.455 12.115 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.466 -1.491 12.633 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.292 -4.238 12.485 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.543 -2.269 13.010 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.448 -3.644 12.932 1.00 0.00 C ATOM 759 OH TYR A 47 -6.514 -4.430 13.296 1.00 0.00 O ATOM 0 H TYR A 47 -1.856 -0.052 14.112 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.532 -2.309 12.733 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.443 -0.184 11.676 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.796 -1.532 10.762 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.314 -3.927 11.769 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.540 -0.415 12.692 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.223 -5.314 12.424 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.452 -1.805 13.363 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.317 -5.367 13.085 1.00 0.00 H new ATOM 769 N PHE A 48 1.226 -0.930 11.628 1.00 0.00 N ATOM 770 CA PHE A 48 2.325 -0.136 11.094 1.00 0.00 C ATOM 771 C PHE A 48 2.578 -0.474 9.629 1.00 0.00 C ATOM 772 O PHE A 48 2.584 -1.644 9.241 1.00 0.00 O ATOM 773 CB PHE A 48 3.597 -0.365 11.915 1.00 0.00 C ATOM 774 CG PHE A 48 3.474 0.048 13.355 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.446 1.387 13.704 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.385 -0.905 14.359 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.333 1.771 15.025 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.272 -0.526 15.683 1.00 0.00 C ATOM 779 CZ PHE A 48 3.246 0.815 16.016 1.00 0.00 C ATOM 0 H PHE A 48 1.341 -1.938 11.521 1.00 0.00 H new ATOM 0 HA PHE A 48 2.047 0.916 11.161 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.861 -1.422 11.871 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.418 0.187 11.457 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.513 2.141 12.933 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.404 -1.954 14.103 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.313 2.820 15.283 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.204 -1.277 16.456 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.158 1.114 17.050 1.00 0.00 H new ATOM 789 N ILE A 49 2.792 0.557 8.824 1.00 0.00 N ATOM 790 CA ILE A 49 3.037 0.389 7.402 1.00 0.00 C ATOM 791 C ILE A 49 4.476 0.770 7.059 1.00 0.00 C ATOM 792 O ILE A 49 4.989 1.795 7.520 1.00 0.00 O ATOM 793 CB ILE A 49 2.053 1.234 6.551 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.369 1.089 5.058 1.00 0.00 C ATOM 795 CG2 ILE A 49 2.095 2.700 6.965 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.424 1.861 4.161 1.00 0.00 C ATOM 0 H ILE A 49 2.800 1.528 9.138 1.00 0.00 H new ATOM 0 HA ILE A 49 2.876 -0.663 7.164 1.00 0.00 H new ATOM 0 HB ILE A 49 1.045 0.859 6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.388 1.429 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.332 0.034 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.396 3.271 6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.816 2.790 8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.103 3.089 6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.708 1.712 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.405 1.505 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.478 2.922 4.403 1.00 0.00 H new ATOM 808 N ARG A 50 5.126 -0.078 6.278 1.00 0.00 N ATOM 809 CA ARG A 50 6.475 0.180 5.795 1.00 0.00 C ATOM 810 C ARG A 50 6.714 -0.614 4.518 1.00 0.00 C ATOM 811 O ARG A 50 6.865 -1.832 4.562 1.00 0.00 O ATOM 812 CB ARG A 50 7.511 -0.217 6.852 1.00 0.00 C ATOM 813 CG ARG A 50 8.949 -0.004 6.408 1.00 0.00 C ATOM 814 CD ARG A 50 9.929 -0.715 7.328 1.00 0.00 C ATOM 815 NE ARG A 50 9.701 -2.161 7.347 1.00 0.00 N ATOM 816 CZ ARG A 50 10.635 -3.065 7.653 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.872 -2.680 7.946 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.335 -4.357 7.661 1.00 0.00 N ATOM 0 H ARG A 50 4.734 -0.965 5.961 1.00 0.00 H new ATOM 0 HA ARG A 50 6.579 1.246 5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.331 0.360 7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.371 -1.267 7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.074 -0.370 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.172 1.063 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.949 -0.511 7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.833 -0.318 8.339 1.00 0.00 H new ATOM 0 HE ARG A 50 8.768 -2.500 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.113 -1.689 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.581 -3.375 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.389 -4.662 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.050 -5.045 7.895 1.00 0.00 H new ATOM 832 N TYR A 51 6.729 0.058 3.379 1.00 0.00 N ATOM 833 CA TYR A 51 6.933 -0.637 2.121 1.00 0.00 C ATOM 834 C TYR A 51 8.340 -0.388 1.597 1.00 0.00 C ATOM 835 O TYR A 51 8.995 0.584 1.980 1.00 0.00 O ATOM 836 CB TYR A 51 5.881 -0.228 1.080 1.00 0.00 C ATOM 837 CG TYR A 51 6.115 1.106 0.401 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.677 2.292 0.973 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.756 1.170 -0.830 1.00 0.00 C ATOM 840 CE1 TYR A 51 5.875 3.505 0.338 1.00 0.00 C ATOM 841 CE2 TYR A 51 6.954 2.377 -1.472 1.00 0.00 C ATOM 842 CZ TYR A 51 6.513 3.540 -0.884 1.00 0.00 C ATOM 843 OH TYR A 51 6.697 4.742 -1.527 1.00 0.00 O ATOM 0 H TYR A 51 6.605 1.067 3.300 1.00 0.00 H new ATOM 0 HA TYR A 51 6.817 -1.705 2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.834 -1.002 0.314 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.906 -0.202 1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.174 2.268 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.106 0.259 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.532 4.420 0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.452 2.408 -2.430 1.00 0.00 H new ATOM 0 HH TYR A 51 6.575 5.476 -0.889 1.00 0.00 H new ATOM 853 N PHE A 52 8.803 -1.271 0.731 1.00 0.00 N ATOM 854 CA PHE A 52 10.135 -1.160 0.170 1.00 0.00 C ATOM 855 C PHE A 52 10.056 -1.105 -1.349 1.00 0.00 C ATOM 856 O PHE A 52 9.202 -1.751 -1.959 1.00 0.00 O ATOM 857 CB PHE A 52 11.003 -2.340 0.621 1.00 0.00 C ATOM 858 CG PHE A 52 12.446 -2.224 0.218 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.289 -1.331 0.863 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.958 -3.005 -0.805 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.615 -1.221 0.494 1.00 0.00 C ATOM 862 CE2 PHE A 52 14.284 -2.898 -1.179 1.00 0.00 C ATOM 863 CZ PHE A 52 15.114 -2.005 -0.528 1.00 0.00 C ATOM 0 H PHE A 52 8.272 -2.077 0.400 1.00 0.00 H new ATOM 0 HA PHE A 52 10.595 -0.239 0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.945 -2.427 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.593 -3.260 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.904 -0.715 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.314 -3.705 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.262 -0.522 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.671 -3.511 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 52 16.151 -1.920 -0.818 1.00 0.00 H new ATOM 873 N GLN A 53 10.944 -0.326 -1.948 1.00 0.00 N ATOM 874 CA GLN A 53 10.984 -0.176 -3.392 1.00 0.00 C ATOM 875 C GLN A 53 12.227 -0.839 -3.973 1.00 0.00 C ATOM 876 O GLN A 53 13.301 -0.239 -3.992 1.00 0.00 O ATOM 877 CB GLN A 53 10.966 1.309 -3.776 1.00 0.00 C ATOM 878 CG GLN A 53 9.602 1.958 -3.631 1.00 0.00 C ATOM 879 CD GLN A 53 8.641 1.516 -4.714 1.00 0.00 C ATOM 880 OE1 GLN A 53 7.958 0.504 -4.580 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.566 2.290 -5.788 1.00 0.00 N ATOM 0 H GLN A 53 11.651 0.215 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 53 10.101 -0.665 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.682 1.845 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.300 1.413 -4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.185 1.710 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.712 3.042 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.152 3.122 -5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.923 2.053 -6.543 1.00 0.00 H new ATOM 890 N PRO A 54 12.107 -2.100 -4.422 1.00 0.00 N ATOM 891 CA PRO A 54 13.191 -2.779 -5.133 1.00 0.00 C ATOM 892 C PRO A 54 13.486 -2.065 -6.444 1.00 0.00 C ATOM 893 O PRO A 54 14.637 -1.930 -6.859 1.00 0.00 O ATOM 894 CB PRO A 54 12.641 -4.189 -5.390 1.00 0.00 C ATOM 895 CG PRO A 54 11.490 -4.340 -4.455 1.00 0.00 C ATOM 896 CD PRO A 54 10.926 -2.959 -4.267 1.00 0.00 C ATOM 0 HA PRO A 54 14.126 -2.794 -4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.323 -4.304 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.401 -4.948 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.740 -5.016 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.813 -4.763 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.160 -2.731 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.466 -2.840 -3.286 1.00 0.00 H new ATOM 904 N ASP A 55 12.423 -1.599 -7.083 1.00 0.00 N ATOM 905 CA ASP A 55 12.541 -0.748 -8.253 1.00 0.00 C ATOM 906 C ASP A 55 12.113 0.661 -7.868 1.00 0.00 C ATOM 907 O ASP A 55 10.927 0.914 -7.648 1.00 0.00 O ATOM 908 CB ASP A 55 11.672 -1.260 -9.406 1.00 0.00 C ATOM 909 CG ASP A 55 11.900 -2.724 -9.719 1.00 0.00 C ATOM 910 OD1 ASP A 55 13.045 -3.097 -10.059 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.931 -3.507 -9.631 1.00 0.00 O ATOM 0 H ASP A 55 11.462 -1.799 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 55 13.576 -0.754 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.622 -1.107 -9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.877 -0.668 -10.298 1.00 0.00 H new ATOM 916 N GLY A 56 13.082 1.557 -7.753 1.00 0.00 N ATOM 917 CA GLY A 56 12.812 2.901 -7.275 1.00 0.00 C ATOM 918 C GLY A 56 12.105 3.774 -8.293 1.00 0.00 C ATOM 919 O GLY A 56 12.709 4.685 -8.863 1.00 0.00 O ATOM 0 H GLY A 56 14.059 1.377 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.203 2.842 -6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.753 3.374 -6.993 1.00 0.00 H new ATOM 923 N ALA A 57 10.831 3.501 -8.516 1.00 0.00 N ATOM 924 CA ALA A 57 10.017 4.300 -9.416 1.00 0.00 C ATOM 925 C ALA A 57 8.573 4.339 -8.936 1.00 0.00 C ATOM 926 O ALA A 57 7.943 3.294 -8.763 1.00 0.00 O ATOM 927 CB ALA A 57 10.090 3.744 -10.829 1.00 0.00 C ATOM 0 H ALA A 57 10.334 2.724 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 57 10.406 5.318 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.475 4.353 -11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.124 3.762 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.723 2.717 -10.835 1.00 0.00 H new ATOM 933 N GLY A 58 8.064 5.537 -8.701 1.00 0.00 N ATOM 934 CA GLY A 58 6.686 5.690 -8.288 1.00 0.00 C ATOM 935 C GLY A 58 6.554 6.366 -6.941 1.00 0.00 C ATOM 936 O GLY A 58 7.471 6.321 -6.118 1.00 0.00 O ATOM 0 H GLY A 58 8.583 6.410 -8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.149 6.272 -9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.212 4.709 -8.246 1.00 0.00 H new ATOM 940 N THR A 59 5.417 7.003 -6.724 1.00 0.00 N ATOM 941 CA THR A 59 5.127 7.647 -5.455 1.00 0.00 C ATOM 942 C THR A 59 3.844 7.083 -4.850 1.00 0.00 C ATOM 943 O THR A 59 2.753 7.283 -5.388 1.00 0.00 O ATOM 944 CB THR A 59 4.993 9.178 -5.621 1.00 0.00 C ATOM 945 OG1 THR A 59 6.232 9.727 -6.086 1.00 0.00 O ATOM 946 CG2 THR A 59 4.596 9.847 -4.309 1.00 0.00 C ATOM 0 H THR A 59 4.673 7.088 -7.417 1.00 0.00 H new ATOM 0 HA THR A 59 5.962 7.443 -4.784 1.00 0.00 H new ATOM 0 HB THR A 59 4.207 9.370 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.141 10.697 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.510 10.923 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.638 9.450 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.356 9.646 -3.554 1.00 0.00 H new ATOM 954 N LEU A 60 3.980 6.365 -3.745 1.00 0.00 N ATOM 955 CA LEU A 60 2.829 5.803 -3.055 1.00 0.00 C ATOM 956 C LEU A 60 2.374 6.753 -1.956 1.00 0.00 C ATOM 957 O LEU A 60 3.111 7.016 -1.007 1.00 0.00 O ATOM 958 CB LEU A 60 3.175 4.430 -2.467 1.00 0.00 C ATOM 959 CG LEU A 60 2.014 3.701 -1.785 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.894 3.428 -2.778 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.494 2.403 -1.155 1.00 0.00 C ATOM 0 H LEU A 60 4.877 6.158 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 60 2.016 5.673 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.561 3.797 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.980 4.555 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 60 1.624 4.344 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.079 2.909 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.528 4.372 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.271 2.807 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.655 1.899 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.912 1.757 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.260 2.621 -0.411 1.00 0.00 H new ATOM 973 N LYS A 61 1.174 7.289 -2.096 1.00 0.00 N ATOM 974 CA LYS A 61 0.651 8.227 -1.115 1.00 0.00 C ATOM 975 C LYS A 61 -0.639 7.702 -0.505 1.00 0.00 C ATOM 976 O LYS A 61 -1.358 6.924 -1.129 1.00 0.00 O ATOM 977 CB LYS A 61 0.416 9.599 -1.748 1.00 0.00 C ATOM 978 CG LYS A 61 1.666 10.192 -2.378 1.00 0.00 C ATOM 979 CD LYS A 61 1.459 11.639 -2.800 1.00 0.00 C ATOM 980 CE LYS A 61 0.332 11.784 -3.809 1.00 0.00 C ATOM 981 NZ LYS A 61 0.631 11.114 -5.102 1.00 0.00 N ATOM 0 H LYS A 61 0.545 7.093 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 61 1.392 8.334 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.360 9.513 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.041 10.283 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.491 10.136 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.951 9.598 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.238 12.245 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.382 12.026 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.582 11.364 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.144 12.843 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.139 11.300 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.524 11.483 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.717 10.089 -4.950 1.00 0.00 H new ATOM 995 N MET A 62 -0.921 8.118 0.716 1.00 0.00 N ATOM 996 CA MET A 62 -2.134 7.703 1.399 1.00 0.00 C ATOM 997 C MET A 62 -3.286 8.620 0.990 1.00 0.00 C ATOM 998 O MET A 62 -3.056 9.708 0.457 1.00 0.00 O ATOM 999 CB MET A 62 -1.928 7.743 2.917 1.00 0.00 C ATOM 1000 CG MET A 62 -2.997 6.998 3.701 1.00 0.00 C ATOM 1001 SD MET A 62 -2.837 7.205 5.488 1.00 0.00 S ATOM 1002 CE MET A 62 -1.176 6.586 5.759 1.00 0.00 C ATOM 0 H MET A 62 -0.325 8.745 1.257 1.00 0.00 H new ATOM 0 HA MET A 62 -2.376 6.679 1.115 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.953 7.316 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.909 8.782 3.244 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.980 7.349 3.387 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.944 5.937 3.458 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.038 6.365 6.817 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.027 5.677 5.176 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.452 7.339 5.448 1.00 0.00 H new ATOM 1012 N SER A 63 -4.514 8.183 1.241 1.00 0.00 N ATOM 1013 CA SER A 63 -5.710 8.936 0.872 1.00 0.00 C ATOM 1014 C SER A 63 -5.752 10.339 1.488 1.00 0.00 C ATOM 1015 O SER A 63 -6.460 11.216 0.994 1.00 0.00 O ATOM 1016 CB SER A 63 -6.944 8.135 1.288 1.00 0.00 C ATOM 1017 OG SER A 63 -6.674 7.350 2.443 1.00 0.00 O ATOM 0 H SER A 63 -4.711 7.297 1.706 1.00 0.00 H new ATOM 0 HA SER A 63 -5.692 9.081 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.772 8.814 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.256 7.488 0.468 1.00 0.00 H new ATOM 0 HG SER A 63 -7.478 6.847 2.692 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.992 10.555 2.553 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.992 11.847 3.231 1.00 0.00 C ATOM 1025 C ASP A 64 -3.945 12.777 2.625 1.00 0.00 C ATOM 1026 O ASP A 64 -3.877 13.958 2.969 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.729 11.672 4.729 1.00 0.00 C ATOM 1028 CG ASP A 64 -3.265 11.447 5.048 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -2.590 10.702 4.307 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -2.777 12.016 6.049 1.00 0.00 O ATOM 0 H ASP A 64 -4.371 9.859 2.965 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.977 12.295 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.080 12.557 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.310 10.827 5.099 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.127 12.240 1.729 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.120 13.046 1.066 1.00 0.00 C ATOM 1037 C GLY A 65 -0.714 12.773 1.569 1.00 0.00 C ATOM 1038 O GLY A 65 0.253 13.343 1.059 1.00 0.00 O ATOM 0 H GLY A 65 -3.143 11.259 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.159 12.856 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.353 14.101 1.212 1.00 0.00 H new ATOM 1042 N THR A 66 -0.595 11.905 2.566 1.00 0.00 N ATOM 1043 CA THR A 66 0.706 11.557 3.122 1.00 0.00 C ATOM 1044 C THR A 66 1.542 10.764 2.121 1.00 0.00 C ATOM 1045 O THR A 66 1.102 9.732 1.611 1.00 0.00 O ATOM 1046 CB THR A 66 0.556 10.736 4.418 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.183 11.492 5.385 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.913 10.355 4.993 1.00 0.00 C ATOM 0 H THR A 66 -1.383 11.430 3.006 1.00 0.00 H new ATOM 0 HA THR A 66 1.216 12.494 3.348 1.00 0.00 H new ATOM 0 HB THR A 66 0.020 9.818 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.278 10.967 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.772 9.777 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.461 9.756 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.479 11.259 5.219 1.00 0.00 H new ATOM 1056 N VAL A 67 2.736 11.258 1.836 1.00 0.00 N ATOM 1057 CA VAL A 67 3.658 10.557 0.961 1.00 0.00 C ATOM 1058 C VAL A 67 4.398 9.484 1.745 1.00 0.00 C ATOM 1059 O VAL A 67 5.139 9.783 2.681 1.00 0.00 O ATOM 1060 CB VAL A 67 4.680 11.515 0.315 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.592 10.767 -0.649 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.971 12.656 -0.396 1.00 0.00 C ATOM 0 H VAL A 67 3.089 12.143 2.199 1.00 0.00 H new ATOM 0 HA VAL A 67 3.072 10.102 0.163 1.00 0.00 H new ATOM 0 HB VAL A 67 5.297 11.936 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.304 11.464 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.133 9.990 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.993 10.311 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.710 13.320 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.324 12.253 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.370 13.214 0.322 1.00 0.00 H new ATOM 1072 N LEU A 68 4.180 8.238 1.368 1.00 0.00 N ATOM 1073 CA LEU A 68 4.807 7.118 2.046 1.00 0.00 C ATOM 1074 C LEU A 68 6.197 6.878 1.470 1.00 0.00 C ATOM 1075 O LEU A 68 6.352 6.680 0.266 1.00 0.00 O ATOM 1076 CB LEU A 68 3.936 5.866 1.902 1.00 0.00 C ATOM 1077 CG LEU A 68 2.477 6.040 2.342 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.656 4.818 1.970 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.397 6.292 3.840 1.00 0.00 C ATOM 0 H LEU A 68 3.571 7.975 0.593 1.00 0.00 H new ATOM 0 HA LEU A 68 4.907 7.348 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.950 5.549 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.383 5.061 2.486 1.00 0.00 H new ATOM 0 HG LEU A 68 2.066 6.905 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.624 4.961 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.684 4.676 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.070 3.938 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.354 6.413 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.829 5.446 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.951 7.198 4.087 1.00 0.00 H new ATOM 1091 N LEU A 69 7.207 6.927 2.322 1.00 0.00 N ATOM 1092 CA LEU A 69 8.581 6.741 1.884 1.00 0.00 C ATOM 1093 C LEU A 69 9.007 5.283 2.010 1.00 0.00 C ATOM 1094 O LEU A 69 8.604 4.585 2.942 1.00 0.00 O ATOM 1095 CB LEU A 69 9.522 7.635 2.695 1.00 0.00 C ATOM 1096 CG LEU A 69 9.297 9.137 2.519 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.253 9.920 3.400 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.467 9.532 1.061 1.00 0.00 C ATOM 0 H LEU A 69 7.102 7.094 3.323 1.00 0.00 H new ATOM 0 HA LEU A 69 8.639 7.022 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.413 7.388 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.550 7.402 2.417 1.00 0.00 H new ATOM 0 HG LEU A 69 8.277 9.374 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.081 10.988 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.085 9.655 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.280 9.680 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.303 10.604 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.476 9.284 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.743 8.991 0.451 1.00 0.00 H new ATOM 1110 N PRO A 70 9.815 4.801 1.054 1.00 0.00 N ATOM 1111 CA PRO A 70 10.353 3.442 1.092 1.00 0.00 C ATOM 1112 C PRO A 70 11.246 3.217 2.311 1.00 0.00 C ATOM 1113 O PRO A 70 12.087 4.058 2.639 1.00 0.00 O ATOM 1114 CB PRO A 70 11.167 3.330 -0.205 1.00 0.00 C ATOM 1115 CG PRO A 70 11.433 4.738 -0.623 1.00 0.00 C ATOM 1116 CD PRO A 70 10.261 5.541 -0.139 1.00 0.00 C ATOM 0 HA PRO A 70 9.565 2.693 1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.097 2.786 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.613 2.789 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.363 5.105 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.536 4.811 -1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.547 6.564 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.476 5.601 -0.892 1.00 0.00 H new ATOM 1124 N ASN A 71 11.012 2.097 2.994 1.00 0.00 N ATOM 1125 CA ASN A 71 11.790 1.683 4.169 1.00 0.00 C ATOM 1126 C ASN A 71 11.455 2.542 5.394 1.00 0.00 C ATOM 1127 O ASN A 71 11.900 2.254 6.505 1.00 0.00 O ATOM 1128 CB ASN A 71 13.299 1.707 3.872 1.00 0.00 C ATOM 1129 CG ASN A 71 14.116 0.932 4.894 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.249 -0.292 4.795 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.697 1.632 5.859 1.00 0.00 N ATOM 0 H ASN A 71 10.270 1.442 2.747 1.00 0.00 H new ATOM 0 HA ASN A 71 11.511 0.655 4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.476 1.289 2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.643 2.741 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.278 1.160 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.563 2.642 5.908 1.00 0.00 H new ATOM 1138 N ASP A 72 10.648 3.580 5.198 1.00 0.00 N ATOM 1139 CA ASP A 72 10.220 4.423 6.307 1.00 0.00 C ATOM 1140 C ASP A 72 8.944 3.844 6.906 1.00 0.00 C ATOM 1141 O ASP A 72 8.163 3.196 6.206 1.00 0.00 O ATOM 1142 CB ASP A 72 10.003 5.873 5.850 1.00 0.00 C ATOM 1143 CG ASP A 72 9.977 6.853 7.012 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.437 6.489 8.116 1.00 0.00 O ATOM 1145 OD2 ASP A 72 9.527 8.005 6.821 1.00 0.00 O ATOM 0 H ASP A 72 10.280 3.856 4.288 1.00 0.00 H new ATOM 0 HA ASP A 72 11.002 4.439 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.797 6.155 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.064 5.941 5.301 1.00 0.00 H new ATOM 1150 N LEU A 73 8.732 4.065 8.194 1.00 0.00 N ATOM 1151 CA LEU A 73 7.657 3.389 8.906 1.00 0.00 C ATOM 1152 C LEU A 73 6.650 4.395 9.462 1.00 0.00 C ATOM 1153 O LEU A 73 7.028 5.364 10.123 1.00 0.00 O ATOM 1154 CB LEU A 73 8.256 2.527 10.030 1.00 0.00 C ATOM 1155 CG LEU A 73 7.333 1.467 10.647 1.00 0.00 C ATOM 1156 CD1 LEU A 73 8.157 0.410 11.359 1.00 0.00 C ATOM 1157 CD2 LEU A 73 6.357 2.094 11.627 1.00 0.00 C ATOM 0 H LEU A 73 9.286 4.703 8.765 1.00 0.00 H new ATOM 0 HA LEU A 73 7.119 2.744 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.140 2.023 9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.593 3.191 10.826 1.00 0.00 H new ATOM 0 HG LEU A 73 6.765 1.006 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.493 -0.337 11.793 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.827 -0.070 10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.744 0.878 12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.716 1.319 12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.910 2.583 12.429 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.743 2.830 11.108 1.00 0.00 H new ATOM 1169 N TYR A 74 5.372 4.159 9.181 1.00 0.00 N ATOM 1170 CA TYR A 74 4.294 5.005 9.687 1.00 0.00 C ATOM 1171 C TYR A 74 3.200 4.139 10.304 1.00 0.00 C ATOM 1172 O TYR A 74 3.087 2.963 9.978 1.00 0.00 O ATOM 1173 CB TYR A 74 3.679 5.843 8.561 1.00 0.00 C ATOM 1174 CG TYR A 74 4.678 6.615 7.737 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.411 7.655 8.289 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.878 6.305 6.401 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.318 8.365 7.531 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.782 7.008 5.635 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.502 8.036 6.204 1.00 0.00 C ATOM 1180 OH TYR A 74 7.406 8.741 5.444 1.00 0.00 O ATOM 0 H TYR A 74 5.055 3.382 8.601 1.00 0.00 H new ATOM 0 HA TYR A 74 4.717 5.672 10.439 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.115 5.183 7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.966 6.544 8.995 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.269 7.913 9.328 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.316 5.499 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.881 9.174 7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.925 6.755 4.595 1.00 0.00 H new ATOM 0 HH TYR A 74 8.258 8.804 5.924 1.00 0.00 H new ATOM 1190 N PRO A 75 2.390 4.696 11.213 1.00 0.00 N ATOM 1191 CA PRO A 75 1.222 4.013 11.757 1.00 0.00 C ATOM 1192 C PRO A 75 -0.003 4.172 10.853 1.00 0.00 C ATOM 1193 O PRO A 75 -0.147 5.185 10.158 1.00 0.00 O ATOM 1194 CB PRO A 75 0.990 4.710 13.109 1.00 0.00 C ATOM 1195 CG PRO A 75 2.015 5.800 13.205 1.00 0.00 C ATOM 1196 CD PRO A 75 2.555 6.016 11.822 1.00 0.00 C ATOM 0 HA PRO A 75 1.379 2.938 11.846 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.019 5.119 13.167 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.095 4.004 13.933 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.569 6.716 13.592 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.814 5.519 13.892 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.000 6.784 11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.599 6.329 11.837 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.877 3.171 10.858 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.104 3.216 10.064 1.00 0.00 C ATOM 1206 C LEU A 76 -3.250 3.809 10.881 1.00 0.00 C ATOM 1207 O LEU A 76 -3.614 3.281 11.930 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.477 1.815 9.564 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.537 1.230 8.511 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.967 -0.182 8.151 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.518 2.115 7.273 1.00 0.00 C ATOM 0 H LEU A 76 -0.760 2.317 11.403 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.926 3.855 9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.507 1.138 10.418 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.484 1.851 9.149 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.528 1.190 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.290 -0.588 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.939 -0.809 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.981 -0.163 7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.845 1.687 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.523 2.180 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.173 3.113 7.544 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.818 4.931 10.414 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.862 5.659 11.131 1.00 0.00 C ATOM 1225 C PRO A 77 -6.286 5.283 10.714 1.00 0.00 C ATOM 1226 O PRO A 77 -7.254 5.905 11.160 1.00 0.00 O ATOM 1227 CB PRO A 77 -4.559 7.096 10.725 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.057 6.993 9.317 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.460 5.612 9.161 1.00 0.00 C ATOM 0 HA PRO A 77 -4.845 5.452 12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.450 7.721 10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.812 7.544 11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.869 7.145 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.310 7.761 9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.870 5.095 8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.379 5.656 9.025 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.426 4.274 9.865 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.741 3.927 9.368 1.00 0.00 C ATOM 1239 C GLY A 78 -7.888 2.462 9.023 1.00 0.00 C ATOM 1240 O GLY A 78 -6.899 1.773 8.768 1.00 0.00 O ATOM 0 H GLY A 78 -5.662 3.696 9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.486 4.192 10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.955 4.524 8.482 1.00 0.00 H new ATOM 1244 N GLU A 79 -9.131 1.996 9.025 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.458 0.626 8.648 1.00 0.00 C ATOM 1246 C GLU A 79 -9.812 0.584 7.169 1.00 0.00 C ATOM 1247 O GLU A 79 -9.435 -0.337 6.444 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.644 0.119 9.475 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.420 0.214 10.978 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.700 0.071 11.774 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -12.419 1.079 11.934 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.996 -1.046 12.246 1.00 0.00 O ATOM 0 H GLU A 79 -9.941 2.557 9.288 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.597 -0.014 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.533 0.692 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.844 -0.919 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.718 -0.561 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.958 1.173 11.212 1.00 0.00 H new ATOM 1259 N THR A 80 -10.542 1.603 6.735 1.00 0.00 N ATOM 1260 CA THR A 80 -10.917 1.742 5.340 1.00 0.00 C ATOM 1261 C THR A 80 -10.067 2.828 4.692 1.00 0.00 C ATOM 1262 O THR A 80 -10.488 3.982 4.574 1.00 0.00 O ATOM 1263 CB THR A 80 -12.410 2.098 5.194 1.00 0.00 C ATOM 1264 OG1 THR A 80 -13.185 1.364 6.153 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.910 1.782 3.791 1.00 0.00 C ATOM 0 H THR A 80 -10.887 2.350 7.338 1.00 0.00 H new ATOM 0 HA THR A 80 -10.746 0.787 4.843 1.00 0.00 H new ATOM 0 HB THR A 80 -12.522 3.167 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 80 -14.132 1.597 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.966 2.042 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.340 2.359 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.783 0.718 3.590 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.854 2.465 4.310 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.920 3.429 3.754 1.00 0.00 C ATOM 1275 C PHE A 81 -7.659 3.144 2.280 1.00 0.00 C ATOM 1276 O PHE A 81 -7.980 2.064 1.774 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.605 3.439 4.550 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.880 2.118 4.584 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -6.181 1.169 5.549 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.890 1.830 3.656 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.512 -0.041 5.586 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -4.219 0.622 3.689 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.531 -0.314 4.655 1.00 0.00 C ATOM 0 H PHE A 81 -8.494 1.513 4.374 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.370 4.419 3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.942 4.191 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.818 3.748 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.947 1.377 6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.641 2.558 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.757 -0.771 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.451 0.410 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.008 -1.258 4.682 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.089 4.121 1.599 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.812 4.010 0.177 1.00 0.00 C ATOM 1295 C ARG A 82 -5.368 4.389 -0.111 1.00 0.00 C ATOM 1296 O ARG A 82 -4.895 5.442 0.323 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.763 4.913 -0.606 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.198 4.413 -0.632 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.179 5.551 -0.852 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.364 6.357 0.356 1.00 0.00 N ATOM 1301 CZ ARG A 82 -10.467 7.686 0.364 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.308 8.378 -0.758 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -10.704 8.319 1.505 1.00 0.00 N ATOM 0 H ARG A 82 -6.806 5.010 2.012 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.966 2.977 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.743 5.912 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.401 5.006 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.313 3.674 -1.425 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.427 3.911 0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.820 6.187 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.140 5.145 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.418 5.870 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.106 7.893 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.388 9.395 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.806 7.789 2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.784 9.336 1.517 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.668 3.519 -0.820 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.288 3.778 -1.191 1.00 0.00 C ATOM 1319 C LEU A 83 -3.215 4.212 -2.646 1.00 0.00 C ATOM 1320 O LEU A 83 -3.556 3.452 -3.548 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.426 2.537 -0.964 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.351 2.059 0.486 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.474 0.824 0.593 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.826 3.165 1.393 1.00 0.00 C ATOM 0 H LEU A 83 -5.034 2.626 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.903 4.580 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.815 1.725 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.415 2.746 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.358 1.799 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.431 0.497 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.892 0.027 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.468 1.061 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.781 2.803 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.828 3.459 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.493 4.026 1.341 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.785 5.439 -2.867 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.725 5.994 -4.205 1.00 0.00 C ATOM 1338 C TYR A 84 -1.310 5.927 -4.758 1.00 0.00 C ATOM 1339 O TYR A 84 -0.449 6.736 -4.406 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.236 7.437 -4.205 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.714 7.538 -3.907 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.649 7.434 -4.926 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.174 7.717 -2.608 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -7.001 7.507 -4.662 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.528 7.785 -2.335 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.437 7.679 -3.366 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.789 7.730 -3.103 1.00 0.00 O ATOM 0 H TYR A 84 -2.470 6.073 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.368 5.397 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.681 8.013 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.035 7.888 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.313 7.294 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.463 7.804 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.715 7.430 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.871 7.920 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.277 7.253 -3.806 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.072 4.942 -5.610 1.00 0.00 N ATOM 1358 CA TYR A 85 0.220 4.785 -6.251 1.00 0.00 C ATOM 1359 C TYR A 85 0.279 5.619 -7.520 1.00 0.00 C ATOM 1360 O TYR A 85 -0.456 5.369 -8.478 1.00 0.00 O ATOM 1361 CB TYR A 85 0.489 3.309 -6.576 1.00 0.00 C ATOM 1362 CG TYR A 85 1.722 3.089 -7.428 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.997 3.183 -6.883 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.608 2.799 -8.782 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.122 2.996 -7.666 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.727 2.607 -9.569 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.981 2.708 -9.008 1.00 0.00 C ATOM 1368 OH TYR A 85 5.096 2.531 -9.795 1.00 0.00 O ATOM 0 H TYR A 85 -1.761 4.238 -5.873 1.00 0.00 H new ATOM 0 HA TYR A 85 0.990 5.132 -5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.599 2.755 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.377 2.896 -7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.111 3.405 -5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.627 2.722 -9.227 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.106 3.075 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.619 2.379 -10.619 1.00 0.00 H new ATOM 0 HH TYR A 85 5.539 1.692 -9.550 1.00 0.00 H new ATOM 1378 N THR A 86 1.139 6.618 -7.516 1.00 0.00 N ATOM 1379 CA THR A 86 1.362 7.419 -8.697 1.00 0.00 C ATOM 1380 C THR A 86 2.409 6.743 -9.574 1.00 0.00 C ATOM 1381 O THR A 86 3.572 6.611 -9.187 1.00 0.00 O ATOM 1382 CB THR A 86 1.819 8.838 -8.322 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.918 9.397 -7.356 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.869 9.734 -9.547 1.00 0.00 C ATOM 0 H THR A 86 1.694 6.893 -6.706 1.00 0.00 H new ATOM 0 HA THR A 86 0.424 7.504 -9.246 1.00 0.00 H new ATOM 0 HB THR A 86 2.821 8.774 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.764 10.343 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.195 10.732 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.571 9.321 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.877 9.793 -9.995 1.00 0.00 H new ATOM 1392 N SER A 87 1.972 6.296 -10.741 1.00 0.00 N ATOM 1393 CA SER A 87 2.804 5.507 -11.628 1.00 0.00 C ATOM 1394 C SER A 87 3.864 6.366 -12.306 1.00 0.00 C ATOM 1395 O SER A 87 3.555 7.194 -13.164 1.00 0.00 O ATOM 1396 CB SER A 87 1.923 4.828 -12.672 1.00 0.00 C ATOM 1397 OG SER A 87 0.785 4.243 -12.057 1.00 0.00 O ATOM 0 H SER A 87 1.032 6.471 -11.097 1.00 0.00 H new ATOM 0 HA SER A 87 3.323 4.752 -11.038 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.606 5.556 -13.419 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.495 4.062 -13.196 1.00 0.00 H new ATOM 0 HG SER A 87 1.032 3.896 -11.175 1.00 0.00 H new ATOM 1403 N ALA A 88 5.107 6.180 -11.890 1.00 0.00 N ATOM 1404 CA ALA A 88 6.236 6.845 -12.527 1.00 0.00 C ATOM 1405 C ALA A 88 6.979 5.862 -13.420 1.00 0.00 C ATOM 1406 O ALA A 88 7.889 6.233 -14.159 1.00 0.00 O ATOM 1407 CB ALA A 88 7.175 7.423 -11.481 1.00 0.00 C ATOM 0 H ALA A 88 5.361 5.572 -11.111 1.00 0.00 H new ATOM 0 HA ALA A 88 5.860 7.665 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.012 7.916 -11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.637 8.148 -10.870 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.550 6.621 -10.846 1.00 0.00 H new ATOM 1413 N SER A 89 6.572 4.604 -13.349 1.00 0.00 N ATOM 1414 CA SER A 89 7.186 3.559 -14.143 1.00 0.00 C ATOM 1415 C SER A 89 6.251 3.137 -15.266 1.00 0.00 C ATOM 1416 O SER A 89 5.033 3.099 -15.090 1.00 0.00 O ATOM 1417 CB SER A 89 7.523 2.354 -13.261 1.00 0.00 C ATOM 1418 OG SER A 89 8.185 1.342 -14.003 1.00 0.00 O ATOM 0 H SER A 89 5.815 4.284 -12.745 1.00 0.00 H new ATOM 0 HA SER A 89 8.108 3.946 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.155 2.673 -12.432 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.608 1.951 -12.827 1.00 0.00 H new ATOM 0 HG SER A 89 7.543 0.643 -14.248 1.00 0.00 H new ATOM 1424 N THR A 90 6.822 2.829 -16.418 1.00 0.00 N ATOM 1425 CA THR A 90 6.040 2.356 -17.545 1.00 0.00 C ATOM 1426 C THR A 90 6.423 0.915 -17.878 1.00 0.00 C ATOM 1427 O THR A 90 5.915 0.324 -18.831 1.00 0.00 O ATOM 1428 CB THR A 90 6.233 3.262 -18.782 1.00 0.00 C ATOM 1429 OG1 THR A 90 5.294 2.915 -19.811 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.651 3.160 -19.327 1.00 0.00 C ATOM 0 H THR A 90 7.824 2.898 -16.596 1.00 0.00 H new ATOM 0 HA THR A 90 4.987 2.392 -17.267 1.00 0.00 H new ATOM 0 HB THR A 90 6.058 4.291 -18.467 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.170 1.943 -19.826 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.754 3.809 -20.197 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.359 3.468 -18.558 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.856 2.130 -19.617 1.00 0.00 H new ATOM 1438 N ASP A 91 7.316 0.356 -17.071 1.00 0.00 N ATOM 1439 CA ASP A 91 7.759 -1.020 -17.243 1.00 0.00 C ATOM 1440 C ASP A 91 7.431 -1.830 -15.996 1.00 0.00 C ATOM 1441 O ASP A 91 6.761 -1.333 -15.086 1.00 0.00 O ATOM 1442 CB ASP A 91 9.267 -1.078 -17.534 1.00 0.00 C ATOM 1443 CG ASP A 91 10.123 -0.679 -16.345 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.285 0.532 -16.100 1.00 0.00 O ATOM 1445 OD2 ASP A 91 10.649 -1.578 -15.657 1.00 0.00 O ATOM 0 H ASP A 91 7.750 0.840 -16.285 1.00 0.00 H new ATOM 0 HA ASP A 91 7.233 -1.448 -18.096 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.532 -2.090 -17.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.494 -0.421 -18.373 1.00 0.00 H new ATOM 1450 N GLN A 92 7.894 -3.073 -15.960 1.00 0.00 N ATOM 1451 CA GLN A 92 7.650 -3.957 -14.828 1.00 0.00 C ATOM 1452 C GLN A 92 8.341 -3.426 -13.575 1.00 0.00 C ATOM 1453 O GLN A 92 9.560 -3.525 -13.425 1.00 0.00 O ATOM 1454 CB GLN A 92 8.137 -5.370 -15.161 1.00 0.00 C ATOM 1455 CG GLN A 92 7.977 -6.379 -14.035 1.00 0.00 C ATOM 1456 CD GLN A 92 8.485 -7.755 -14.423 1.00 0.00 C ATOM 1457 OE1 GLN A 92 9.386 -7.891 -15.250 1.00 0.00 O ATOM 1458 NE2 GLN A 92 7.922 -8.789 -13.824 1.00 0.00 N ATOM 0 H GLN A 92 8.445 -3.494 -16.708 1.00 0.00 H new ATOM 0 HA GLN A 92 6.579 -3.993 -14.630 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.593 -5.731 -16.034 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.190 -5.321 -15.439 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.517 -6.029 -13.156 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.925 -6.447 -13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.177 -8.641 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.232 -9.736 -14.042 1.00 0.00 H new ATOM 1467 N GLN A 93 7.550 -2.838 -12.696 1.00 0.00 N ATOM 1468 CA GLN A 93 8.050 -2.288 -11.449 1.00 0.00 C ATOM 1469 C GLN A 93 7.336 -2.957 -10.286 1.00 0.00 C ATOM 1470 O GLN A 93 6.113 -3.121 -10.314 1.00 0.00 O ATOM 1471 CB GLN A 93 7.848 -0.766 -11.436 1.00 0.00 C ATOM 1472 CG GLN A 93 8.496 -0.042 -10.261 1.00 0.00 C ATOM 1473 CD GLN A 93 7.618 -0.010 -9.026 1.00 0.00 C ATOM 1474 OE1 GLN A 93 6.394 0.034 -9.123 1.00 0.00 O ATOM 1475 NE2 GLN A 93 8.240 -0.019 -7.858 1.00 0.00 N ATOM 0 H GLN A 93 6.544 -2.728 -12.826 1.00 0.00 H new ATOM 0 HA GLN A 93 9.118 -2.483 -11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.247 -0.353 -12.363 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.778 -0.556 -11.428 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.439 -0.530 -10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.733 0.980 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.259 -0.056 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.701 0.011 -6.993 1.00 0.00 H new ATOM 1484 N THR A 94 8.098 -3.376 -9.289 1.00 0.00 N ATOM 1485 CA THR A 94 7.535 -4.082 -8.154 1.00 0.00 C ATOM 1486 C THR A 94 7.532 -3.229 -6.887 1.00 0.00 C ATOM 1487 O THR A 94 8.583 -2.807 -6.403 1.00 0.00 O ATOM 1488 CB THR A 94 8.308 -5.388 -7.884 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.262 -6.227 -9.046 1.00 0.00 O ATOM 1490 CG2 THR A 94 7.731 -6.139 -6.694 1.00 0.00 C ATOM 0 H THR A 94 9.108 -3.239 -9.244 1.00 0.00 H new ATOM 0 HA THR A 94 6.502 -4.312 -8.413 1.00 0.00 H new ATOM 0 HB THR A 94 9.341 -5.126 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.348 -6.555 -9.176 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.299 -7.055 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.791 -5.512 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.689 -6.389 -6.892 1.00 0.00 H new ATOM 1498 N VAL A 95 6.336 -2.978 -6.371 1.00 0.00 N ATOM 1499 CA VAL A 95 6.161 -2.322 -5.085 1.00 0.00 C ATOM 1500 C VAL A 95 5.833 -3.375 -4.035 1.00 0.00 C ATOM 1501 O VAL A 95 4.846 -4.102 -4.174 1.00 0.00 O ATOM 1502 CB VAL A 95 5.015 -1.285 -5.116 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.875 -0.590 -3.769 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.234 -0.267 -6.222 1.00 0.00 C ATOM 0 H VAL A 95 5.461 -3.224 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 95 7.087 -1.799 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 95 4.087 -1.818 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.062 0.135 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.657 -1.330 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.805 -0.077 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.414 0.451 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.175 0.257 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.270 -0.777 -7.184 1.00 0.00 H new ATOM 1514 N ASP A 96 6.654 -3.479 -3.004 1.00 0.00 N ATOM 1515 CA ASP A 96 6.421 -4.471 -1.965 1.00 0.00 C ATOM 1516 C ASP A 96 6.069 -3.783 -0.655 1.00 0.00 C ATOM 1517 O ASP A 96 6.911 -3.127 -0.038 1.00 0.00 O ATOM 1518 CB ASP A 96 7.652 -5.360 -1.796 1.00 0.00 C ATOM 1519 CG ASP A 96 7.374 -6.585 -0.948 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.255 -7.127 -1.024 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.288 -7.020 -0.217 1.00 0.00 O ATOM 0 H ASP A 96 7.479 -2.896 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 96 5.582 -5.102 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.006 -5.675 -2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.454 -4.781 -1.339 1.00 0.00 H new ATOM 1526 N VAL A 97 4.821 -3.928 -0.242 1.00 0.00 N ATOM 1527 CA VAL A 97 4.310 -3.216 0.919 1.00 0.00 C ATOM 1528 C VAL A 97 4.178 -4.144 2.119 1.00 0.00 C ATOM 1529 O VAL A 97 3.462 -5.144 2.065 1.00 0.00 O ATOM 1530 CB VAL A 97 2.933 -2.580 0.624 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.464 -1.734 1.799 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.980 -1.753 -0.652 1.00 0.00 C ATOM 0 H VAL A 97 4.139 -4.536 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 97 5.028 -2.429 1.149 1.00 0.00 H new ATOM 0 HB VAL A 97 2.214 -3.386 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.493 -1.297 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.378 -2.360 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.185 -0.938 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.999 -1.316 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.717 -0.958 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.257 -2.392 -1.490 1.00 0.00 H new ATOM 1542 N TYR A 98 4.867 -3.813 3.201 1.00 0.00 N ATOM 1543 CA TYR A 98 4.775 -4.595 4.419 1.00 0.00 C ATOM 1544 C TYR A 98 3.817 -3.943 5.409 1.00 0.00 C ATOM 1545 O TYR A 98 4.001 -2.785 5.798 1.00 0.00 O ATOM 1546 CB TYR A 98 6.149 -4.753 5.076 1.00 0.00 C ATOM 1547 CG TYR A 98 7.137 -5.569 4.276 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.123 -6.955 4.335 1.00 0.00 C ATOM 1549 CD2 TYR A 98 8.091 -4.955 3.474 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.029 -7.709 3.618 1.00 0.00 C ATOM 1551 CE2 TYR A 98 9.004 -5.703 2.754 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.970 -7.080 2.830 1.00 0.00 C ATOM 1553 OH TYR A 98 9.878 -7.831 2.113 1.00 0.00 O ATOM 0 H TYR A 98 5.493 -3.010 3.258 1.00 0.00 H new ATOM 0 HA TYR A 98 4.396 -5.580 4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.571 -3.763 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.019 -5.219 6.053 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.390 -7.452 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.120 -3.877 3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.001 -8.787 3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.740 -5.212 2.135 1.00 0.00 H new ATOM 0 HH TYR A 98 9.648 -7.801 1.161 1.00 0.00 H new ATOM 1563 N PHE A 99 2.796 -4.687 5.802 1.00 0.00 N ATOM 1564 CA PHE A 99 1.911 -4.273 6.880 1.00 0.00 C ATOM 1565 C PHE A 99 2.174 -5.153 8.092 1.00 0.00 C ATOM 1566 O PHE A 99 1.882 -6.345 8.065 1.00 0.00 O ATOM 1567 CB PHE A 99 0.441 -4.403 6.463 1.00 0.00 C ATOM 1568 CG PHE A 99 0.003 -3.428 5.407 1.00 0.00 C ATOM 1569 CD1 PHE A 99 0.141 -2.064 5.607 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.557 -3.874 4.222 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.270 -1.165 4.644 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.972 -2.977 3.255 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.827 -1.621 3.468 1.00 0.00 C ATOM 0 H PHE A 99 2.558 -5.588 5.387 1.00 0.00 H new ATOM 0 HA PHE A 99 2.107 -3.227 7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.268 -5.416 6.098 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.186 -4.270 7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.575 -1.700 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.671 -4.934 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.155 -0.104 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.409 -3.337 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.149 -0.918 2.714 1.00 0.00 H new ATOM 1583 N GLN A 100 2.727 -4.579 9.149 1.00 0.00 N ATOM 1584 CA GLN A 100 3.149 -5.381 10.289 1.00 0.00 C ATOM 1585 C GLN A 100 2.207 -5.229 11.481 1.00 0.00 C ATOM 1586 O GLN A 100 1.844 -4.118 11.882 1.00 0.00 O ATOM 1587 CB GLN A 100 4.577 -5.029 10.697 1.00 0.00 C ATOM 1588 CG GLN A 100 4.743 -3.602 11.177 1.00 0.00 C ATOM 1589 CD GLN A 100 6.182 -3.267 11.496 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.636 -3.440 12.627 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.906 -2.784 10.501 1.00 0.00 N ATOM 0 H GLN A 100 2.893 -3.577 9.243 1.00 0.00 H new ATOM 0 HA GLN A 100 3.115 -6.424 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.896 -5.708 11.488 1.00 0.00 H new ATOM 0 HB3 GLN A 100 5.239 -5.196 9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.374 -2.919 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.131 -3.446 12.065 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.487 -2.658 9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.884 -2.538 10.655 1.00 0.00 H new ATOM 1600 N ASP A 101 1.808 -6.369 12.014 1.00 0.00 N ATOM 1601 CA ASP A 101 0.992 -6.445 13.221 1.00 0.00 C ATOM 1602 C ASP A 101 1.889 -6.284 14.449 1.00 0.00 C ATOM 1603 O ASP A 101 3.094 -6.530 14.371 1.00 0.00 O ATOM 1604 CB ASP A 101 0.277 -7.805 13.246 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.699 -7.980 14.385 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -0.248 -8.133 15.534 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.912 -8.009 14.120 1.00 0.00 O ATOM 0 H ASP A 101 2.042 -7.280 11.620 1.00 0.00 H new ATOM 0 HA ASP A 101 0.247 -5.649 13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.256 -7.938 12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.027 -8.594 13.303 1.00 0.00 H new ATOM 1612 N SER A 102 1.314 -5.882 15.577 1.00 0.00 N ATOM 1613 CA SER A 102 2.093 -5.679 16.793 1.00 0.00 C ATOM 1614 C SER A 102 2.598 -7.010 17.358 1.00 0.00 C ATOM 1615 O SER A 102 3.614 -7.050 18.052 1.00 0.00 O ATOM 1616 CB SER A 102 1.266 -4.937 17.844 1.00 0.00 C ATOM 1617 OG SER A 102 0.840 -3.671 17.362 1.00 0.00 O ATOM 0 H SER A 102 0.317 -5.691 15.675 1.00 0.00 H new ATOM 0 HA SER A 102 2.960 -5.071 16.535 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.397 -5.536 18.117 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.858 -4.804 18.749 1.00 0.00 H new ATOM 0 HG SER A 102 0.324 -3.792 16.537 1.00 0.00 H new ATOM 1623 N PHE A 103 1.896 -8.096 17.049 1.00 0.00 N ATOM 1624 CA PHE A 103 2.302 -9.421 17.504 1.00 0.00 C ATOM 1625 C PHE A 103 3.413 -9.980 16.622 1.00 0.00 C ATOM 1626 O PHE A 103 4.143 -10.883 17.030 1.00 0.00 O ATOM 1627 CB PHE A 103 1.112 -10.386 17.509 1.00 0.00 C ATOM 1628 CG PHE A 103 0.010 -9.994 18.453 1.00 0.00 C ATOM 1629 CD1 PHE A 103 0.266 -9.815 19.804 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -1.281 -9.806 17.989 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -0.747 -9.458 20.672 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -2.298 -9.451 18.854 1.00 0.00 C ATOM 1633 CZ PHE A 103 -2.030 -9.276 20.197 1.00 0.00 C ATOM 0 H PHE A 103 1.045 -8.085 16.487 1.00 0.00 H new ATOM 0 HA PHE A 103 2.677 -9.320 18.523 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.706 -10.451 16.500 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.466 -11.382 17.774 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.268 -9.956 20.181 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.495 -9.938 16.939 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.535 -9.321 21.722 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.301 -9.311 18.480 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.823 -8.997 20.875 1.00 0.00 H new ATOM 1643 N GLY A 104 3.540 -9.436 15.415 1.00 0.00 N ATOM 1644 CA GLY A 104 4.571 -9.897 14.506 1.00 0.00 C ATOM 1645 C GLY A 104 4.015 -10.404 13.188 1.00 0.00 C ATOM 1646 O GLY A 104 4.775 -10.771 12.289 1.00 0.00 O ATOM 0 H GLY A 104 2.949 -8.687 15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.267 -9.081 14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.140 -10.694 14.985 1.00 0.00 H new ATOM 1650 N GLN A 105 2.694 -10.425 13.070 1.00 0.00 N ATOM 1651 CA GLN A 105 2.044 -10.879 11.844 1.00 0.00 C ATOM 1652 C GLN A 105 2.197 -9.831 10.749 1.00 0.00 C ATOM 1653 O GLN A 105 1.504 -8.821 10.749 1.00 0.00 O ATOM 1654 CB GLN A 105 0.552 -11.141 12.086 1.00 0.00 C ATOM 1655 CG GLN A 105 0.250 -11.881 13.384 1.00 0.00 C ATOM 1656 CD GLN A 105 -1.213 -12.263 13.526 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -2.102 -11.459 12.962 1.00 0.00 O flip ATOM 1658 NE2 GLN A 105 -1.543 -13.274 14.147 1.00 0.00 N flip ATOM 0 H GLN A 105 2.051 -10.134 13.806 1.00 0.00 H new ATOM 0 HA GLN A 105 2.523 -11.807 11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.024 -10.188 12.093 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.156 -11.719 11.251 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.861 -12.782 13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.539 -11.255 14.228 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.830 -13.869 14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.529 -13.516 14.240 1.00 0.00 H new ATOM 1667 N LEU A 106 3.109 -10.054 9.823 1.00 0.00 N ATOM 1668 CA LEU A 106 3.331 -9.080 8.779 1.00 0.00 C ATOM 1669 C LEU A 106 2.766 -9.581 7.456 1.00 0.00 C ATOM 1670 O LEU A 106 2.944 -10.741 7.085 1.00 0.00 O ATOM 1671 CB LEU A 106 4.825 -8.721 8.673 1.00 0.00 C ATOM 1672 CG LEU A 106 5.753 -9.783 8.073 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.863 -9.606 6.567 1.00 0.00 C ATOM 1674 CD2 LEU A 106 7.128 -9.719 8.721 1.00 0.00 C ATOM 0 H LEU A 106 3.697 -10.886 9.773 1.00 0.00 H new ATOM 0 HA LEU A 106 2.800 -8.163 9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.914 -7.815 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.187 -8.479 9.672 1.00 0.00 H new ATOM 0 HG LEU A 106 5.325 -10.765 8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.526 -10.369 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.876 -9.704 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.267 -8.618 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.773 -10.480 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.564 -8.734 8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.034 -9.897 9.792 1.00 0.00 H new ATOM 1686 N GLN A 107 2.058 -8.704 6.772 1.00 0.00 N ATOM 1687 CA GLN A 107 1.455 -9.024 5.494 1.00 0.00 C ATOM 1688 C GLN A 107 2.170 -8.276 4.387 1.00 0.00 C ATOM 1689 O GLN A 107 2.093 -7.051 4.300 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.031 -8.656 5.503 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.864 -9.516 6.439 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.053 -10.933 5.928 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -1.150 -11.083 4.616 1.00 0.00 O flip ATOM 1694 NE2 GLN A 107 -1.132 -11.881 6.705 1.00 0.00 N flip ATOM 0 H GLN A 107 1.885 -7.749 7.087 1.00 0.00 H new ATOM 0 HA GLN A 107 1.548 -10.096 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.136 -7.611 5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.426 -8.747 4.491 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.384 -9.549 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.840 -9.052 6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.052 -11.725 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.277 -12.824 6.345 1.00 0.00 H new ATOM 1703 N GLN A 108 2.893 -9.019 3.570 1.00 0.00 N ATOM 1704 CA GLN A 108 3.619 -8.438 2.456 1.00 0.00 C ATOM 1705 C GLN A 108 2.765 -8.461 1.195 1.00 0.00 C ATOM 1706 O GLN A 108 2.456 -9.524 0.655 1.00 0.00 O ATOM 1707 CB GLN A 108 4.943 -9.179 2.227 1.00 0.00 C ATOM 1708 CG GLN A 108 4.804 -10.694 2.135 1.00 0.00 C ATOM 1709 CD GLN A 108 6.125 -11.384 1.857 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.189 -10.892 2.235 1.00 0.00 O ATOM 1711 NE2 GLN A 108 6.069 -12.528 1.192 1.00 0.00 N ATOM 0 H GLN A 108 2.993 -10.030 3.658 1.00 0.00 H new ATOM 0 HA GLN A 108 3.848 -7.400 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.398 -8.811 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.627 -8.937 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.389 -11.075 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.095 -10.943 1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.167 -12.902 0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 108 6.927 -13.035 0.976 1.00 0.00 H new ATOM 1720 N LEU A 109 2.352 -7.287 0.754 1.00 0.00 N ATOM 1721 CA LEU A 109 1.591 -7.170 -0.472 1.00 0.00 C ATOM 1722 C LEU A 109 2.520 -6.738 -1.592 1.00 0.00 C ATOM 1723 O LEU A 109 2.992 -5.602 -1.623 1.00 0.00 O ATOM 1724 CB LEU A 109 0.445 -6.167 -0.305 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.549 -6.482 0.818 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.680 -5.470 0.813 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.107 -7.892 0.681 1.00 0.00 C ATOM 0 H LEU A 109 2.532 -6.402 1.228 1.00 0.00 H new ATOM 0 HA LEU A 109 1.152 -8.137 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.872 -5.181 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.103 -6.108 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.017 -6.420 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.380 -5.703 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.274 -4.470 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.199 -5.509 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.809 -8.086 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.621 -7.988 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.291 -8.613 0.728 1.00 0.00 H new ATOM 1739 N THR A 110 2.790 -7.656 -2.498 1.00 0.00 N ATOM 1740 CA THR A 110 3.710 -7.402 -3.586 1.00 0.00 C ATOM 1741 C THR A 110 2.949 -7.087 -4.870 1.00 0.00 C ATOM 1742 O THR A 110 2.205 -7.924 -5.385 1.00 0.00 O ATOM 1743 CB THR A 110 4.628 -8.620 -3.803 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.228 -9.001 -2.555 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.719 -8.313 -4.815 1.00 0.00 C ATOM 0 H THR A 110 2.382 -8.591 -2.501 1.00 0.00 H new ATOM 0 HA THR A 110 4.322 -6.539 -3.324 1.00 0.00 H new ATOM 0 HB THR A 110 4.021 -9.438 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.552 -8.201 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.351 -9.192 -4.947 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.265 -8.046 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.325 -7.481 -4.456 1.00 0.00 H new ATOM 1753 N PHE A 111 3.117 -5.870 -5.365 1.00 0.00 N ATOM 1754 CA PHE A 111 2.447 -5.445 -6.586 1.00 0.00 C ATOM 1755 C PHE A 111 3.460 -5.194 -7.696 1.00 0.00 C ATOM 1756 O PHE A 111 4.324 -4.329 -7.573 1.00 0.00 O ATOM 1757 CB PHE A 111 1.643 -4.168 -6.335 1.00 0.00 C ATOM 1758 CG PHE A 111 0.573 -4.308 -5.291 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.648 -4.883 -5.605 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.786 -3.858 -4.000 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.638 -5.006 -4.648 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.199 -3.979 -3.039 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.412 -4.554 -3.362 1.00 0.00 C ATOM 0 H PHE A 111 3.712 -5.159 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 111 1.771 -6.243 -6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.327 -3.375 -6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.182 -3.853 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.828 -5.239 -6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.733 -3.407 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.586 -5.455 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.020 -3.624 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.182 -4.650 -2.611 1.00 0.00 H new ATOM 1773 N SER A 112 3.346 -5.947 -8.775 1.00 0.00 N ATOM 1774 CA SER A 112 4.191 -5.744 -9.939 1.00 0.00 C ATOM 1775 C SER A 112 3.336 -5.301 -11.119 1.00 0.00 C ATOM 1776 O SER A 112 2.421 -6.010 -11.536 1.00 0.00 O ATOM 1777 CB SER A 112 4.957 -7.021 -10.265 1.00 0.00 C ATOM 1778 OG SER A 112 5.780 -7.409 -9.176 1.00 0.00 O ATOM 0 H SER A 112 2.674 -6.708 -8.870 1.00 0.00 H new ATOM 0 HA SER A 112 4.920 -4.962 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.255 -7.821 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.570 -6.866 -11.152 1.00 0.00 H new ATOM 0 HG SER A 112 6.261 -8.231 -9.406 1.00 0.00 H new ATOM 1784 N PHE A 113 3.632 -4.121 -11.639 1.00 0.00 N ATOM 1785 CA PHE A 113 2.770 -3.478 -12.622 1.00 0.00 C ATOM 1786 C PHE A 113 3.223 -3.734 -14.060 1.00 0.00 C ATOM 1787 O PHE A 113 4.258 -4.365 -14.300 1.00 0.00 O ATOM 1788 CB PHE A 113 2.702 -1.974 -12.349 1.00 0.00 C ATOM 1789 CG PHE A 113 2.218 -1.642 -10.966 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.876 -1.749 -10.643 1.00 0.00 C ATOM 1791 CD2 PHE A 113 3.106 -1.224 -9.989 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.430 -1.445 -9.372 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.665 -0.919 -8.716 1.00 0.00 C ATOM 1794 CZ PHE A 113 1.324 -1.031 -8.406 1.00 0.00 C ATOM 0 H PHE A 113 4.466 -3.586 -11.397 1.00 0.00 H new ATOM 0 HA PHE A 113 1.778 -3.918 -12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.692 -1.540 -12.494 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.040 -1.509 -13.079 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.170 -2.074 -11.393 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.156 -1.135 -10.225 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.620 -1.531 -9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.368 -0.593 -7.964 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.976 -0.795 -7.411 1.00 0.00 H new ATOM 1804 N ASN A 114 2.399 -3.252 -14.997 1.00 0.00 N ATOM 1805 CA ASN A 114 2.640 -3.331 -16.445 1.00 0.00 C ATOM 1806 C ASN A 114 2.174 -4.664 -17.016 1.00 0.00 C ATOM 1807 O ASN A 114 1.211 -4.710 -17.783 1.00 0.00 O ATOM 1808 CB ASN A 114 4.110 -3.075 -16.816 1.00 0.00 C ATOM 1809 CG ASN A 114 4.351 -3.146 -18.318 1.00 0.00 C ATOM 1810 OD1 ASN A 114 4.635 -4.211 -18.868 1.00 0.00 O ATOM 1811 ND2 ASN A 114 4.239 -2.013 -18.992 1.00 0.00 N ATOM 0 H ASN A 114 1.523 -2.784 -14.765 1.00 0.00 H new ATOM 0 HA ASN A 114 2.048 -2.534 -16.894 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.409 -2.093 -16.449 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.741 -3.808 -16.314 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.389 -2.003 -20.001 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.002 -1.150 -18.503 1.00 0.00 H new ATOM 1818 N ASN A 115 2.844 -5.741 -16.644 1.00 0.00 N ATOM 1819 CA ASN A 115 2.506 -7.058 -17.168 1.00 0.00 C ATOM 1820 C ASN A 115 2.943 -8.138 -16.191 1.00 0.00 C ATOM 1821 O ASN A 115 2.107 -8.846 -15.627 1.00 0.00 O ATOM 1822 CB ASN A 115 3.167 -7.278 -18.533 1.00 0.00 C ATOM 1823 CG ASN A 115 2.727 -8.571 -19.191 1.00 0.00 C ATOM 1824 OD1 ASN A 115 3.336 -9.623 -18.998 1.00 0.00 O ATOM 1825 ND2 ASN A 115 1.669 -8.503 -19.979 1.00 0.00 N ATOM 0 H ASN A 115 3.622 -5.733 -15.984 1.00 0.00 H new ATOM 0 HA ASN A 115 1.425 -7.115 -17.295 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.927 -6.441 -19.188 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.250 -7.287 -18.411 1.00 0.00 H new ATOM 0 HD21 ASN A 115 1.331 -9.341 -20.452 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.190 -7.613 -20.114 1.00 0.00 H new ATOM 1832 N ASP A 116 4.260 -8.253 -16.001 1.00 0.00 N ATOM 1833 CA ASP A 116 4.830 -9.177 -15.016 1.00 0.00 C ATOM 1834 C ASP A 116 4.550 -10.636 -15.409 1.00 0.00 C ATOM 1835 O ASP A 116 3.994 -10.907 -16.477 1.00 0.00 O ATOM 1836 CB ASP A 116 4.260 -8.858 -13.619 1.00 0.00 C ATOM 1837 CG ASP A 116 4.914 -9.648 -12.505 1.00 0.00 C ATOM 1838 OD1 ASP A 116 6.008 -9.253 -12.061 1.00 0.00 O ATOM 1839 OD2 ASP A 116 4.341 -10.674 -12.084 1.00 0.00 O ATOM 0 H ASP A 116 4.955 -7.715 -16.519 1.00 0.00 H new ATOM 0 HA ASP A 116 5.912 -9.048 -14.991 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.383 -7.794 -13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.189 -9.061 -13.617 1.00 0.00 H new ATOM 1844 N SER A 117 4.956 -11.576 -14.563 1.00 0.00 N ATOM 1845 CA SER A 117 4.640 -12.978 -14.766 1.00 0.00 C ATOM 1846 C SER A 117 3.147 -13.182 -14.514 1.00 0.00 C ATOM 1847 O SER A 117 2.530 -14.095 -15.069 1.00 0.00 O ATOM 1848 CB SER A 117 5.479 -13.849 -13.825 1.00 0.00 C ATOM 1849 OG SER A 117 5.401 -15.220 -14.176 1.00 0.00 O ATOM 0 H SER A 117 5.508 -11.387 -13.726 1.00 0.00 H new ATOM 0 HA SER A 117 4.876 -13.272 -15.789 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.519 -13.523 -13.857 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.134 -13.715 -12.800 1.00 0.00 H new ATOM 0 HG SER A 117 5.948 -15.748 -13.558 1.00 0.00 H new ATOM 1855 N SER A 118 2.593 -12.303 -13.669 1.00 0.00 N ATOM 1856 CA SER A 118 1.154 -12.218 -13.417 1.00 0.00 C ATOM 1857 C SER A 118 0.651 -13.323 -12.487 1.00 0.00 C ATOM 1858 O SER A 118 1.206 -14.424 -12.431 1.00 0.00 O ATOM 1859 CB SER A 118 0.365 -12.241 -14.733 1.00 0.00 C ATOM 1860 OG SER A 118 0.795 -11.211 -15.610 1.00 0.00 O ATOM 0 H SER A 118 3.139 -11.625 -13.137 1.00 0.00 H new ATOM 0 HA SER A 118 0.986 -11.266 -12.913 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.490 -13.210 -15.217 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.698 -12.123 -14.524 1.00 0.00 H new ATOM 0 HG SER A 118 1.289 -10.534 -15.102 1.00 0.00 H new ATOM 1866 N LYS A 119 -0.395 -12.996 -11.740 1.00 0.00 N ATOM 1867 CA LYS A 119 -1.087 -13.960 -10.903 1.00 0.00 C ATOM 1868 C LYS A 119 -2.547 -14.022 -11.322 1.00 0.00 C ATOM 1869 O LYS A 119 -3.163 -12.992 -11.601 1.00 0.00 O ATOM 1870 CB LYS A 119 -0.990 -13.586 -9.421 1.00 0.00 C ATOM 1871 CG LYS A 119 0.404 -13.729 -8.834 1.00 0.00 C ATOM 1872 CD LYS A 119 0.408 -13.410 -7.347 1.00 0.00 C ATOM 1873 CE LYS A 119 1.773 -13.639 -6.724 1.00 0.00 C ATOM 1874 NZ LYS A 119 1.788 -13.298 -5.275 1.00 0.00 N ATOM 0 H LYS A 119 -0.786 -12.055 -11.699 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.615 -14.934 -11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.321 -12.555 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.677 -14.213 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.766 -14.745 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.091 -13.061 -9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.110 -12.372 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -0.331 -14.030 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.061 -14.682 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.516 -13.036 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.738 -13.469 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.539 -12.296 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.098 -13.891 -4.772 1.00 0.00 H new ATOM 1888 N GLU A 120 -3.094 -15.220 -11.379 1.00 0.00 N ATOM 1889 CA GLU A 120 -4.467 -15.406 -11.811 1.00 0.00 C ATOM 1890 C GLU A 120 -5.290 -15.984 -10.664 1.00 0.00 C ATOM 1891 O GLU A 120 -6.193 -16.799 -10.871 1.00 0.00 O ATOM 1892 CB GLU A 120 -4.492 -16.324 -13.036 1.00 0.00 C ATOM 1893 CG GLU A 120 -5.751 -16.193 -13.877 1.00 0.00 C ATOM 1894 CD GLU A 120 -5.661 -16.970 -15.170 1.00 0.00 C ATOM 1895 OE1 GLU A 120 -4.937 -16.523 -16.087 1.00 0.00 O ATOM 1896 OE2 GLU A 120 -6.320 -18.024 -15.283 1.00 0.00 O ATOM 0 H GLU A 120 -2.608 -16.082 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.906 -14.449 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.625 -16.105 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.393 -17.358 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.607 -16.546 -13.302 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.929 -15.141 -14.100 1.00 0.00 H new ATOM 1903 N GLU A 121 -4.977 -15.519 -9.453 1.00 0.00 N ATOM 1904 CA GLU A 121 -5.598 -16.004 -8.224 1.00 0.00 C ATOM 1905 C GLU A 121 -5.269 -17.479 -8.007 1.00 0.00 C ATOM 1906 O GLU A 121 -4.317 -18.006 -8.587 1.00 0.00 O ATOM 1907 CB GLU A 121 -7.121 -15.789 -8.228 1.00 0.00 C ATOM 1908 CG GLU A 121 -7.548 -14.326 -8.187 1.00 0.00 C ATOM 1909 CD GLU A 121 -7.588 -13.677 -9.555 1.00 0.00 C ATOM 1910 OE1 GLU A 121 -8.598 -13.866 -10.271 1.00 0.00 O ATOM 1911 OE2 GLU A 121 -6.626 -12.975 -9.927 1.00 0.00 O ATOM 0 H GLU A 121 -4.280 -14.790 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.187 -15.423 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -7.539 -16.253 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -7.551 -16.305 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -8.535 -14.255 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -6.860 -13.771 -7.549 1.00 0.00 H new ATOM 1918 N GLU A 122 -6.042 -18.138 -7.160 1.00 0.00 N ATOM 1919 CA GLU A 122 -5.805 -19.537 -6.839 1.00 0.00 C ATOM 1920 C GLU A 122 -6.701 -20.454 -7.671 1.00 0.00 C ATOM 1921 O GLU A 122 -7.910 -20.537 -7.445 1.00 0.00 O ATOM 1922 CB GLU A 122 -6.023 -19.791 -5.345 1.00 0.00 C ATOM 1923 CG GLU A 122 -7.263 -19.113 -4.784 1.00 0.00 C ATOM 1924 CD GLU A 122 -7.620 -19.609 -3.402 1.00 0.00 C ATOM 1925 OE1 GLU A 122 -6.899 -19.276 -2.438 1.00 0.00 O ATOM 1926 OE2 GLU A 122 -8.630 -20.337 -3.278 1.00 0.00 O ATOM 0 H GLU A 122 -6.842 -17.725 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 122 -4.768 -19.765 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -6.099 -20.865 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.149 -19.442 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.099 -18.036 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.103 -19.286 -5.457 1.00 0.00 H new ATOM 1933 N LEU A 123 -6.106 -21.126 -8.646 1.00 0.00 N ATOM 1934 CA LEU A 123 -6.832 -22.092 -9.460 1.00 0.00 C ATOM 1935 C LEU A 123 -6.748 -23.473 -8.822 1.00 0.00 C ATOM 1936 O LEU A 123 -7.742 -24.192 -8.723 1.00 0.00 O ATOM 1937 CB LEU A 123 -6.272 -22.150 -10.891 1.00 0.00 C ATOM 1938 CG LEU A 123 -6.375 -20.854 -11.707 1.00 0.00 C ATOM 1939 CD1 LEU A 123 -5.273 -19.876 -11.323 1.00 0.00 C ATOM 1940 CD2 LEU A 123 -6.324 -21.158 -13.198 1.00 0.00 C ATOM 0 H LEU A 123 -5.122 -21.021 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 123 -7.873 -21.773 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -5.223 -22.440 -10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -6.794 -22.939 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.333 -20.387 -11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.370 -18.967 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.358 -19.629 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -4.301 -20.331 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.398 -20.228 -13.762 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -5.382 -21.653 -13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.155 -21.811 -13.465 1.00 0.00 H new ATOM 1952 N GLU A 124 -5.554 -23.822 -8.365 1.00 0.00 N ATOM 1953 CA GLU A 124 -5.306 -25.128 -7.773 1.00 0.00 C ATOM 1954 C GLU A 124 -4.923 -24.971 -6.301 1.00 0.00 C ATOM 1955 O GLU A 124 -4.858 -23.848 -5.792 1.00 0.00 O ATOM 1956 CB GLU A 124 -4.185 -25.835 -8.549 1.00 0.00 C ATOM 1957 CG GLU A 124 -4.522 -27.257 -8.977 1.00 0.00 C ATOM 1958 CD GLU A 124 -4.578 -28.224 -7.816 1.00 0.00 C ATOM 1959 OE1 GLU A 124 -5.567 -28.191 -7.060 1.00 0.00 O ATOM 1960 OE2 GLU A 124 -3.636 -29.024 -7.656 1.00 0.00 O ATOM 0 H GLU A 124 -4.736 -23.213 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 124 -6.212 -25.732 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.946 -25.248 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -3.288 -25.857 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.483 -27.258 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.777 -27.601 -9.694 1.00 0.00 H new ATOM 1967 N HIS A 125 -4.692 -26.100 -5.630 1.00 0.00 N ATOM 1968 CA HIS A 125 -4.192 -26.127 -4.253 1.00 0.00 C ATOM 1969 C HIS A 125 -5.271 -25.758 -3.238 1.00 0.00 C ATOM 1970 O HIS A 125 -4.969 -25.522 -2.068 1.00 0.00 O ATOM 1971 CB HIS A 125 -2.976 -25.202 -4.080 1.00 0.00 C ATOM 1972 CG HIS A 125 -1.749 -25.661 -4.810 1.00 0.00 C ATOM 1973 ND1 HIS A 125 -1.331 -25.116 -6.009 1.00 0.00 N ATOM 1974 CD2 HIS A 125 -0.837 -26.611 -4.498 1.00 0.00 C ATOM 1975 CE1 HIS A 125 -0.221 -25.714 -6.400 1.00 0.00 C ATOM 1976 NE2 HIS A 125 0.098 -26.622 -5.500 1.00 0.00 N ATOM 0 H HIS A 125 -4.847 -27.027 -6.027 1.00 0.00 H new ATOM 0 HA HIS A 125 -3.885 -27.155 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -3.240 -24.203 -4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -2.744 -25.119 -3.018 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -0.845 -27.243 -3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 125 0.331 -25.496 -7.303 1.00 0.00 H new ATOM 0 HE2 HIS A 125 0.912 -27.236 -5.542 1.00 0.00 H new ATOM 1985 N HIS A 126 -6.527 -25.723 -3.668 1.00 0.00 N ATOM 1986 CA HIS A 126 -7.612 -25.396 -2.753 1.00 0.00 C ATOM 1987 C HIS A 126 -8.726 -26.437 -2.806 1.00 0.00 C ATOM 1988 O HIS A 126 -9.116 -26.978 -1.773 1.00 0.00 O ATOM 1989 CB HIS A 126 -8.174 -24.002 -3.048 1.00 0.00 C ATOM 1990 CG HIS A 126 -9.252 -23.577 -2.097 1.00 0.00 C ATOM 1991 ND1 HIS A 126 -10.566 -23.406 -2.472 1.00 0.00 N ATOM 1992 CD2 HIS A 126 -9.202 -23.293 -0.775 1.00 0.00 C ATOM 1993 CE1 HIS A 126 -11.275 -23.038 -1.426 1.00 0.00 C ATOM 1994 NE2 HIS A 126 -10.475 -22.963 -0.380 1.00 0.00 N ATOM 0 H HIS A 126 -6.816 -25.914 -4.628 1.00 0.00 H new ATOM 0 HA HIS A 126 -7.197 -25.400 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -7.361 -23.276 -3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -8.570 -23.986 -4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -8.324 -23.321 -0.147 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -12.335 -22.832 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -10.755 -22.703 0.566 1.00 0.00 H new ATOM 2003 N HIS A 127 -9.243 -26.714 -3.998 1.00 0.00 N ATOM 2004 CA HIS A 127 -10.371 -27.633 -4.125 1.00 0.00 C ATOM 2005 C HIS A 127 -9.915 -29.084 -3.982 1.00 0.00 C ATOM 2006 O HIS A 127 -10.352 -29.786 -3.070 1.00 0.00 O ATOM 2007 CB HIS A 127 -11.111 -27.432 -5.451 1.00 0.00 C ATOM 2008 CG HIS A 127 -12.342 -28.284 -5.583 1.00 0.00 C ATOM 2009 ND1 HIS A 127 -12.544 -29.159 -6.628 1.00 0.00 N ATOM 2010 CD2 HIS A 127 -13.434 -28.395 -4.789 1.00 0.00 C ATOM 2011 CE1 HIS A 127 -13.706 -29.767 -6.474 1.00 0.00 C ATOM 2012 NE2 HIS A 127 -14.262 -29.323 -5.366 1.00 0.00 N ATOM 0 H HIS A 127 -8.907 -26.323 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.066 -27.409 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.392 -26.383 -5.546 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.433 -27.656 -6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.618 -27.854 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -14.128 -30.503 -7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.164 -29.622 -4.996 1.00 0.00 H new ATOM 2021 N HIS A 128 -9.045 -29.539 -4.878 1.00 0.00 N ATOM 2022 CA HIS A 128 -8.526 -30.894 -4.779 1.00 0.00 C ATOM 2023 C HIS A 128 -7.101 -30.878 -4.234 1.00 0.00 C ATOM 2024 O HIS A 128 -6.143 -30.566 -4.936 1.00 0.00 O ATOM 2025 CB HIS A 128 -8.635 -31.670 -6.117 1.00 0.00 C ATOM 2026 CG HIS A 128 -7.812 -31.162 -7.274 1.00 0.00 C ATOM 2027 ND1 HIS A 128 -8.307 -30.311 -8.238 1.00 0.00 N ATOM 2028 CD2 HIS A 128 -6.540 -31.447 -7.652 1.00 0.00 C ATOM 2029 CE1 HIS A 128 -7.381 -30.097 -9.153 1.00 0.00 C ATOM 2030 NE2 HIS A 128 -6.300 -30.773 -8.822 1.00 0.00 N ATOM 0 H HIS A 128 -8.691 -28.999 -5.667 1.00 0.00 H new ATOM 0 HA HIS A 128 -9.151 -31.439 -4.071 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -8.354 -32.707 -5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -9.681 -31.674 -6.422 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -5.845 -32.087 -7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -7.491 -29.472 -10.027 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -5.427 -30.792 -9.350 1.00 0.00 H new ATOM 2039 N HIS A 129 -6.979 -31.168 -2.950 1.00 0.00 N ATOM 2040 CA HIS A 129 -5.677 -31.206 -2.300 1.00 0.00 C ATOM 2041 C HIS A 129 -5.618 -32.360 -1.303 1.00 0.00 C ATOM 2042 O HIS A 129 -4.553 -32.694 -0.781 1.00 0.00 O ATOM 2043 CB HIS A 129 -5.398 -29.866 -1.601 1.00 0.00 C ATOM 2044 CG HIS A 129 -3.987 -29.698 -1.121 1.00 0.00 C ATOM 2045 ND1 HIS A 129 -3.644 -28.891 -0.060 1.00 0.00 N ATOM 2046 CD2 HIS A 129 -2.827 -30.222 -1.579 1.00 0.00 C ATOM 2047 CE1 HIS A 129 -2.337 -28.927 0.113 1.00 0.00 C ATOM 2048 NE2 HIS A 129 -1.815 -29.727 -0.796 1.00 0.00 N ATOM 0 H HIS A 129 -7.765 -31.381 -2.336 1.00 0.00 H new ATOM 0 HA HIS A 129 -4.908 -31.368 -3.055 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -5.633 -29.055 -2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.072 -29.767 -0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -2.718 -30.905 -2.409 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -1.787 -28.391 0.872 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -0.823 -29.942 -0.900 1.00 0.00 H new ATOM 2057 N HIS A 130 -6.766 -32.978 -1.057 1.00 0.00 N ATOM 2058 CA HIS A 130 -6.859 -34.080 -0.114 1.00 0.00 C ATOM 2059 C HIS A 130 -8.162 -34.840 -0.334 1.00 0.00 C ATOM 2060 O HIS A 130 -9.187 -34.438 0.247 1.00 0.00 O ATOM 2061 CB HIS A 130 -6.785 -33.555 1.326 1.00 0.00 C ATOM 2062 CG HIS A 130 -6.621 -34.631 2.353 1.00 0.00 C ATOM 2063 ND1 HIS A 130 -5.394 -35.138 2.710 1.00 0.00 N ATOM 2064 CD2 HIS A 130 -7.532 -35.292 3.101 1.00 0.00 C ATOM 2065 CE1 HIS A 130 -5.554 -36.064 3.633 1.00 0.00 C ATOM 2066 NE2 HIS A 130 -6.843 -36.177 3.889 1.00 0.00 N ATOM 2067 OXT HIS A 130 -8.163 -35.813 -1.112 1.00 0.00 O ATOM 0 H HIS A 130 -7.650 -32.731 -1.502 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.022 -34.759 -0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -5.950 -32.858 1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -7.692 -32.992 1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -8.602 -35.150 3.082 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.764 -36.634 4.100 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -7.259 -36.819 4.564 1.00 0.00 H new TER 2076 HIS A 130