USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=33 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 117 SER OG : rot -67:sc= 0.43 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 1 USER MOD Set 2.2: A 112 SER OG : rot -72:sc= 1.19 USER MOD Set 3.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 108 GLN : amide:sc= 0.0764 X(o=0.076,f=-0.026) USER MOD Set 4.1: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 89 SER OG : rot -145:sc= 1.17 USER MOD Set 4.3: A 93 GLN : amide:sc= 1.2 K(o=2.4,f=-6.8!) USER MOD Set 5.1: A 35 GLN : amide:sc=-0.00217 K(o=-0.11,f=0.66) USER MOD Set 5.2: A 37 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.4) USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.7) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.00346 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00366 X(o=-0.0037,f=0) USER MOD Single : A 8 GLN : amide:sc=-0.00449 X(o=-0.0045,f=-0.41) USER MOD Single : A 9 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.1!) USER MOD Single : A 10 SER OG : rot 58:sc= 0.759 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -69:sc= 1.3 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0161 (180deg=-0.709) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -105:sc= -0.75 (180deg=-2.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 48:sc= -3.01! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0.874) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 38:sc= 0.317 USER MOD Single : A 53 GLN : amide:sc= -0.83! C(o=-0.83!,f=-3.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 151:sc= -0.051 (180deg=-0.496) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.9! C(o=-1.9!,f=-8.7!) USER MOD Single : A 74 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -136:sc= 0.106 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -50:sc= -0.511 USER MOD Single : A 90 THR OG1 : rot -30:sc= 0.809 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 160:sc= 0.248 USER MOD Single : A 105 GLN : amide:sc= -0.0265 K(o=-0.027,f=-0.78) USER MOD Single : A 107 GLN : amide:sc= 0.819 K(o=0.82,f=-5.2!) USER MOD Single : A 110 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 115 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.86) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-5!) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 128 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0085) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0245 X(o=-0.024,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.440 -11.689 33.127 1.00 0.00 N ATOM 2 CA MET A 1 -4.576 -11.791 32.188 1.00 0.00 C ATOM 3 C MET A 1 -5.810 -12.273 32.944 1.00 0.00 C ATOM 4 O MET A 1 -5.686 -13.014 33.917 1.00 0.00 O ATOM 5 CB MET A 1 -4.228 -12.759 31.054 1.00 0.00 C ATOM 6 CG MET A 1 -4.781 -12.339 29.705 1.00 0.00 C ATOM 7 SD MET A 1 -4.165 -10.725 29.184 1.00 0.00 S ATOM 8 CE MET A 1 -4.858 -10.607 27.533 1.00 0.00 C ATOM 0 H1 MET A 1 -2.556 -11.577 32.591 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.575 -10.865 33.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.388 -12.552 33.704 1.00 0.00 H new ATOM 0 HA MET A 1 -4.784 -10.813 31.754 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.144 -12.846 30.982 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.611 -13.749 31.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.514 -13.086 28.957 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.870 -12.311 29.754 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.301 -9.868 26.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.791 -11.577 27.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.903 -10.304 27.598 1.00 0.00 H new ATOM 20 N ASN A 2 -6.992 -11.850 32.504 1.00 0.00 N ATOM 21 CA ASN A 2 -8.231 -12.153 33.222 1.00 0.00 C ATOM 22 C ASN A 2 -8.547 -13.646 33.174 1.00 0.00 C ATOM 23 O ASN A 2 -8.493 -14.335 34.192 1.00 0.00 O ATOM 24 CB ASN A 2 -9.402 -11.350 32.640 1.00 0.00 C ATOM 25 CG ASN A 2 -10.674 -11.477 33.465 1.00 0.00 C ATOM 26 OD1 ASN A 2 -10.896 -10.706 34.398 1.00 0.00 O ATOM 27 ND2 ASN A 2 -11.522 -12.437 33.121 1.00 0.00 N ATOM 0 H ASN A 2 -7.120 -11.298 31.656 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.088 -11.867 34.264 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.119 -10.299 32.576 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.599 -11.689 31.623 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -12.394 -12.556 33.636 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -11.302 -13.056 32.341 1.00 0.00 H new ATOM 34 N ASP A 3 -8.867 -14.140 31.985 1.00 0.00 N ATOM 35 CA ASP A 3 -9.220 -15.550 31.804 1.00 0.00 C ATOM 36 C ASP A 3 -8.622 -16.075 30.510 1.00 0.00 C ATOM 37 O ASP A 3 -8.286 -17.254 30.387 1.00 0.00 O ATOM 38 CB ASP A 3 -10.743 -15.722 31.786 1.00 0.00 C ATOM 39 CG ASP A 3 -11.167 -17.167 31.600 1.00 0.00 C ATOM 40 OD1 ASP A 3 -11.094 -17.943 32.576 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.587 -17.529 30.482 1.00 0.00 O ATOM 0 H ASP A 3 -8.891 -13.588 31.128 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.815 -16.120 32.640 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.158 -15.343 32.720 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.163 -15.118 30.982 1.00 0.00 H new ATOM 46 N ASP A 4 -8.474 -15.175 29.556 1.00 0.00 N ATOM 47 CA ASP A 4 -7.890 -15.481 28.262 1.00 0.00 C ATOM 48 C ASP A 4 -6.368 -15.547 28.359 1.00 0.00 C ATOM 49 O ASP A 4 -5.650 -14.819 27.678 1.00 0.00 O ATOM 50 CB ASP A 4 -8.326 -14.424 27.235 1.00 0.00 C ATOM 51 CG ASP A 4 -8.097 -12.995 27.711 1.00 0.00 C ATOM 52 OD1 ASP A 4 -8.514 -12.659 28.847 1.00 0.00 O ATOM 53 OD2 ASP A 4 -7.515 -12.199 26.949 1.00 0.00 O ATOM 0 H ASP A 4 -8.759 -14.201 29.658 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.246 -16.458 27.935 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.779 -14.583 26.305 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.384 -14.560 27.010 1.00 0.00 H new ATOM 58 N VAL A 5 -5.885 -16.425 29.230 1.00 0.00 N ATOM 59 CA VAL A 5 -4.455 -16.611 29.418 1.00 0.00 C ATOM 60 C VAL A 5 -3.991 -17.902 28.741 1.00 0.00 C ATOM 61 O VAL A 5 -2.890 -17.968 28.188 1.00 0.00 O ATOM 62 CB VAL A 5 -4.076 -16.624 30.924 1.00 0.00 C ATOM 63 CG1 VAL A 5 -4.826 -17.715 31.678 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.572 -16.780 31.104 1.00 0.00 C ATOM 0 H VAL A 5 -6.467 -17.021 29.819 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.946 -15.766 28.954 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.374 -15.664 31.346 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.537 -17.696 32.729 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.899 -17.544 31.594 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.579 -18.687 31.252 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.332 -16.786 32.167 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.247 -17.717 30.653 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.060 -15.948 30.621 1.00 0.00 H new ATOM 74 N ASP A 6 -4.843 -18.920 28.770 1.00 0.00 N ATOM 75 CA ASP A 6 -4.535 -20.199 28.139 1.00 0.00 C ATOM 76 C ASP A 6 -4.963 -20.182 26.679 1.00 0.00 C ATOM 77 O ASP A 6 -4.499 -20.987 25.869 1.00 0.00 O ATOM 78 CB ASP A 6 -5.219 -21.351 28.881 1.00 0.00 C ATOM 79 CG ASP A 6 -6.730 -21.239 28.887 1.00 0.00 C ATOM 80 OD1 ASP A 6 -7.262 -20.387 29.635 1.00 0.00 O ATOM 81 OD2 ASP A 6 -7.391 -22.003 28.156 1.00 0.00 O ATOM 0 H ASP A 6 -5.755 -18.885 29.225 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.457 -20.355 28.188 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.932 -22.295 28.418 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.858 -21.378 29.909 1.00 0.00 H new ATOM 86 N ILE A 7 -5.847 -19.256 26.345 1.00 0.00 N ATOM 87 CA ILE A 7 -6.277 -19.063 24.970 1.00 0.00 C ATOM 88 C ILE A 7 -5.906 -17.663 24.501 1.00 0.00 C ATOM 89 O ILE A 7 -6.020 -16.697 25.255 1.00 0.00 O ATOM 90 CB ILE A 7 -7.798 -19.278 24.799 1.00 0.00 C ATOM 91 CG1 ILE A 7 -8.584 -18.402 25.780 1.00 0.00 C ATOM 92 CG2 ILE A 7 -8.151 -20.748 24.982 1.00 0.00 C ATOM 93 CD1 ILE A 7 -10.085 -18.473 25.591 1.00 0.00 C ATOM 0 H ILE A 7 -6.284 -18.621 27.014 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.765 -19.809 24.363 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.076 -18.982 23.787 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.340 -18.704 26.799 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.261 -17.367 25.668 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.226 -20.882 24.858 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.623 -21.344 24.238 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.857 -21.071 25.981 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.574 -17.827 26.320 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.341 -18.143 24.584 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.421 -19.500 25.732 1.00 0.00 H new ATOM 105 N GLN A 8 -5.441 -17.559 23.266 1.00 0.00 N ATOM 106 CA GLN A 8 -5.076 -16.270 22.700 1.00 0.00 C ATOM 107 C GLN A 8 -6.194 -15.797 21.784 1.00 0.00 C ATOM 108 O GLN A 8 -6.535 -14.612 21.752 1.00 0.00 O ATOM 109 CB GLN A 8 -3.756 -16.376 21.923 1.00 0.00 C ATOM 110 CG GLN A 8 -2.670 -17.140 22.668 1.00 0.00 C ATOM 111 CD GLN A 8 -2.359 -16.563 24.038 1.00 0.00 C ATOM 112 OE1 GLN A 8 -2.462 -15.359 24.263 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.984 -17.426 24.967 1.00 0.00 N ATOM 0 H GLN A 8 -5.308 -18.351 22.637 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.935 -15.549 23.505 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.944 -16.867 20.968 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.394 -15.372 21.699 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.979 -18.179 22.781 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.760 -17.142 22.068 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.910 -18.418 24.742 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.769 -17.100 25.909 1.00 0.00 H new ATOM 122 N GLN A 9 -6.742 -16.754 21.028 1.00 0.00 N ATOM 123 CA GLN A 9 -7.925 -16.540 20.189 1.00 0.00 C ATOM 124 C GLN A 9 -7.715 -15.387 19.200 1.00 0.00 C ATOM 125 O GLN A 9 -8.668 -14.793 18.700 1.00 0.00 O ATOM 126 CB GLN A 9 -9.145 -16.280 21.083 1.00 0.00 C ATOM 127 CG GLN A 9 -10.483 -16.511 20.395 1.00 0.00 C ATOM 128 CD GLN A 9 -11.661 -16.294 21.326 1.00 0.00 C ATOM 129 OE1 GLN A 9 -11.596 -15.485 22.252 1.00 0.00 O ATOM 130 NE2 GLN A 9 -12.739 -17.024 21.095 1.00 0.00 N ATOM 0 H GLN A 9 -6.375 -17.704 20.981 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.098 -17.439 19.598 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.083 -16.925 21.959 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.106 -15.251 21.441 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.570 -15.838 19.542 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.516 -17.528 20.004 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.751 -17.683 20.317 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -13.558 -16.928 21.695 1.00 0.00 H new ATOM 139 N SER A 10 -6.461 -15.094 18.894 1.00 0.00 N ATOM 140 CA SER A 10 -6.137 -13.985 18.017 1.00 0.00 C ATOM 141 C SER A 10 -5.631 -14.491 16.674 1.00 0.00 C ATOM 142 O SER A 10 -4.533 -15.042 16.576 1.00 0.00 O ATOM 143 CB SER A 10 -5.097 -13.083 18.677 1.00 0.00 C ATOM 144 OG SER A 10 -5.547 -12.643 19.949 1.00 0.00 O ATOM 0 H SER A 10 -5.652 -15.610 19.241 1.00 0.00 H new ATOM 0 HA SER A 10 -7.043 -13.405 17.840 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.157 -13.623 18.786 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.898 -12.222 18.039 1.00 0.00 H new ATOM 0 HG SER A 10 -5.741 -13.420 20.514 1.00 0.00 H new ATOM 150 N TYR A 11 -6.447 -14.315 15.648 1.00 0.00 N ATOM 151 CA TYR A 11 -6.093 -14.741 14.305 1.00 0.00 C ATOM 152 C TYR A 11 -5.477 -13.589 13.521 1.00 0.00 C ATOM 153 O TYR A 11 -5.750 -12.423 13.812 1.00 0.00 O ATOM 154 CB TYR A 11 -7.327 -15.280 13.578 1.00 0.00 C ATOM 155 CG TYR A 11 -7.741 -16.658 14.037 1.00 0.00 C ATOM 156 CD1 TYR A 11 -8.527 -16.834 15.169 1.00 0.00 C ATOM 157 CD2 TYR A 11 -7.338 -17.785 13.335 1.00 0.00 C ATOM 158 CE1 TYR A 11 -8.901 -18.097 15.586 1.00 0.00 C ATOM 159 CE2 TYR A 11 -7.708 -19.050 13.744 1.00 0.00 C ATOM 160 CZ TYR A 11 -8.486 -19.202 14.870 1.00 0.00 C ATOM 161 OH TYR A 11 -8.856 -20.463 15.277 1.00 0.00 O ATOM 0 H TYR A 11 -7.365 -13.877 15.721 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.354 -15.539 14.380 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.158 -14.591 13.728 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.125 -15.307 12.507 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.851 -15.971 15.731 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.724 -17.670 12.454 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.514 -18.219 16.467 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.389 -19.916 13.184 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.481 -21.128 14.663 1.00 0.00 H new ATOM 171 N PRO A 12 -4.626 -13.906 12.527 1.00 0.00 N ATOM 172 CA PRO A 12 -3.966 -12.897 11.689 1.00 0.00 C ATOM 173 C PRO A 12 -4.962 -11.992 10.973 1.00 0.00 C ATOM 174 O PRO A 12 -6.059 -12.423 10.609 1.00 0.00 O ATOM 175 CB PRO A 12 -3.181 -13.726 10.666 1.00 0.00 C ATOM 176 CG PRO A 12 -3.017 -15.064 11.296 1.00 0.00 C ATOM 177 CD PRO A 12 -4.237 -15.275 12.143 1.00 0.00 C ATOM 0 HA PRO A 12 -3.344 -12.229 12.285 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.719 -13.798 9.721 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.214 -13.271 10.448 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.928 -15.843 10.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.111 -15.102 11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.029 -15.777 11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.019 -15.891 13.016 1.00 0.00 H new ATOM 185 N PHE A 13 -4.580 -10.740 10.776 1.00 0.00 N ATOM 186 CA PHE A 13 -5.433 -9.795 10.077 1.00 0.00 C ATOM 187 C PHE A 13 -5.268 -9.975 8.575 1.00 0.00 C ATOM 188 O PHE A 13 -4.175 -10.278 8.096 1.00 0.00 O ATOM 189 CB PHE A 13 -5.102 -8.351 10.483 1.00 0.00 C ATOM 190 CG PHE A 13 -3.751 -7.872 10.021 1.00 0.00 C ATOM 191 CD1 PHE A 13 -2.598 -8.274 10.671 1.00 0.00 C ATOM 192 CD2 PHE A 13 -3.641 -7.021 8.936 1.00 0.00 C ATOM 193 CE1 PHE A 13 -1.359 -7.834 10.247 1.00 0.00 C ATOM 194 CE2 PHE A 13 -2.405 -6.577 8.507 1.00 0.00 C ATOM 195 CZ PHE A 13 -1.263 -6.986 9.163 1.00 0.00 C ATOM 0 H PHE A 13 -3.688 -10.357 11.089 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.470 -9.990 10.352 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.867 -7.688 10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.151 -8.271 11.569 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.667 -8.939 11.519 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.532 -6.700 8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.466 -8.154 10.764 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.333 -5.911 7.660 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.295 -6.643 8.829 1.00 0.00 H new ATOM 205 N SER A 14 -6.350 -9.813 7.841 1.00 0.00 N ATOM 206 CA SER A 14 -6.309 -9.975 6.401 1.00 0.00 C ATOM 207 C SER A 14 -6.710 -8.673 5.723 1.00 0.00 C ATOM 208 O SER A 14 -7.756 -8.099 6.031 1.00 0.00 O ATOM 209 CB SER A 14 -7.241 -11.114 5.975 1.00 0.00 C ATOM 210 OG SER A 14 -7.002 -11.513 4.634 1.00 0.00 O ATOM 0 H SER A 14 -7.267 -9.570 8.216 1.00 0.00 H new ATOM 0 HA SER A 14 -5.293 -10.228 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.101 -11.967 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.278 -10.795 6.081 1.00 0.00 H new ATOM 0 HG SER A 14 -7.286 -10.800 4.025 1.00 0.00 H new ATOM 216 N ILE A 15 -5.862 -8.191 4.831 1.00 0.00 N ATOM 217 CA ILE A 15 -6.158 -6.989 4.078 1.00 0.00 C ATOM 218 C ILE A 15 -6.408 -7.331 2.618 1.00 0.00 C ATOM 219 O ILE A 15 -5.496 -7.741 1.894 1.00 0.00 O ATOM 220 CB ILE A 15 -5.020 -5.952 4.174 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.783 -5.563 5.634 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.349 -4.718 3.341 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.699 -4.526 5.822 1.00 0.00 C ATOM 0 H ILE A 15 -4.961 -8.616 4.612 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.054 -6.548 4.514 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.108 -6.399 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.714 -5.182 6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.520 -6.457 6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.535 -3.997 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.477 -5.007 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.271 -4.266 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.590 -4.302 6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.756 -4.911 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.969 -3.616 5.285 1.00 0.00 H new ATOM 235 N GLU A 16 -7.651 -7.192 2.199 1.00 0.00 N ATOM 236 CA GLU A 16 -8.006 -7.413 0.812 1.00 0.00 C ATOM 237 C GLU A 16 -7.926 -6.105 0.045 1.00 0.00 C ATOM 238 O GLU A 16 -8.348 -5.055 0.536 1.00 0.00 O ATOM 239 CB GLU A 16 -9.403 -8.031 0.680 1.00 0.00 C ATOM 240 CG GLU A 16 -9.437 -9.539 0.904 1.00 0.00 C ATOM 241 CD GLU A 16 -9.206 -9.946 2.347 1.00 0.00 C ATOM 242 OE1 GLU A 16 -8.037 -10.042 2.766 1.00 0.00 O ATOM 243 OE2 GLU A 16 -10.200 -10.198 3.061 1.00 0.00 O ATOM 0 H GLU A 16 -8.431 -6.927 2.800 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.295 -8.121 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.070 -7.552 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.793 -7.813 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.403 -9.924 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.678 -10.008 0.277 1.00 0.00 H new ATOM 250 N THR A 17 -7.365 -6.171 -1.147 1.00 0.00 N ATOM 251 CA THR A 17 -7.139 -4.986 -1.950 1.00 0.00 C ATOM 252 C THR A 17 -8.066 -4.965 -3.160 1.00 0.00 C ATOM 253 O THR A 17 -8.279 -5.992 -3.810 1.00 0.00 O ATOM 254 CB THR A 17 -5.669 -4.915 -2.411 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.271 -6.175 -2.975 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.753 -4.563 -1.246 1.00 0.00 C ATOM 0 H THR A 17 -7.056 -7.040 -1.583 1.00 0.00 H new ATOM 0 HA THR A 17 -7.356 -4.115 -1.331 1.00 0.00 H new ATOM 0 HB THR A 17 -5.585 -4.135 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.337 -6.122 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.721 -4.519 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.040 -3.594 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.841 -5.324 -0.471 1.00 0.00 H new ATOM 264 N MET A 18 -8.640 -3.806 -3.438 1.00 0.00 N ATOM 265 CA MET A 18 -9.522 -3.643 -4.583 1.00 0.00 C ATOM 266 C MET A 18 -8.721 -3.707 -5.882 1.00 0.00 C ATOM 267 O MET A 18 -7.580 -3.244 -5.933 1.00 0.00 O ATOM 268 CB MET A 18 -10.286 -2.320 -4.488 1.00 0.00 C ATOM 269 CG MET A 18 -11.294 -2.275 -3.349 1.00 0.00 C ATOM 270 SD MET A 18 -12.623 -3.477 -3.547 1.00 0.00 S ATOM 271 CE MET A 18 -13.574 -3.175 -2.059 1.00 0.00 C ATOM 0 H MET A 18 -8.510 -2.960 -2.883 1.00 0.00 H new ATOM 0 HA MET A 18 -10.246 -4.458 -4.582 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.572 -1.507 -4.361 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.807 -2.143 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.779 -2.461 -2.406 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.721 -1.274 -3.287 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.434 -3.844 -2.035 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.949 -3.356 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.919 -2.141 -2.051 1.00 0.00 H new ATOM 281 N PRO A 19 -9.313 -4.302 -6.934 1.00 0.00 N ATOM 282 CA PRO A 19 -8.660 -4.479 -8.239 1.00 0.00 C ATOM 283 C PRO A 19 -7.956 -3.221 -8.742 1.00 0.00 C ATOM 284 O PRO A 19 -8.580 -2.174 -8.945 1.00 0.00 O ATOM 285 CB PRO A 19 -9.826 -4.840 -9.157 1.00 0.00 C ATOM 286 CG PRO A 19 -10.789 -5.541 -8.267 1.00 0.00 C ATOM 287 CD PRO A 19 -10.679 -4.864 -6.928 1.00 0.00 C ATOM 0 HA PRO A 19 -7.870 -5.228 -8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.271 -3.951 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.503 -5.481 -9.977 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.804 -5.472 -8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.549 -6.601 -8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.432 -4.085 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.819 -5.570 -6.109 1.00 0.00 H new ATOM 295 N VAL A 20 -6.648 -3.332 -8.917 1.00 0.00 N ATOM 296 CA VAL A 20 -5.846 -2.243 -9.447 1.00 0.00 C ATOM 297 C VAL A 20 -5.730 -2.375 -10.962 1.00 0.00 C ATOM 298 O VAL A 20 -5.864 -3.474 -11.502 1.00 0.00 O ATOM 299 CB VAL A 20 -4.430 -2.230 -8.821 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.514 -2.042 -7.314 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.670 -3.509 -9.156 1.00 0.00 C ATOM 0 H VAL A 20 -6.117 -4.174 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.342 -1.306 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.882 -1.389 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.509 -2.035 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.007 -1.095 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.086 -2.860 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.679 -3.472 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.215 -4.369 -8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.572 -3.601 -10.238 1.00 0.00 H new ATOM 311 N PRO A 21 -5.508 -1.262 -11.675 1.00 0.00 N ATOM 312 CA PRO A 21 -5.303 -1.295 -13.121 1.00 0.00 C ATOM 313 C PRO A 21 -4.012 -2.023 -13.478 1.00 0.00 C ATOM 314 O PRO A 21 -2.937 -1.682 -12.983 1.00 0.00 O ATOM 315 CB PRO A 21 -5.219 0.183 -13.521 1.00 0.00 C ATOM 316 CG PRO A 21 -5.749 0.943 -12.351 1.00 0.00 C ATOM 317 CD PRO A 21 -5.452 0.104 -11.143 1.00 0.00 C ATOM 0 HA PRO A 21 -6.100 -1.828 -13.639 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.192 0.472 -13.744 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.807 0.381 -14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.274 1.921 -12.273 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.820 1.117 -12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.474 0.334 -10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.185 0.260 -10.352 1.00 0.00 H new ATOM 325 N LYS A 22 -4.129 -3.027 -14.336 1.00 0.00 N ATOM 326 CA LYS A 22 -2.989 -3.856 -14.709 1.00 0.00 C ATOM 327 C LYS A 22 -2.030 -3.083 -15.606 1.00 0.00 C ATOM 328 O LYS A 22 -0.814 -3.255 -15.536 1.00 0.00 O ATOM 329 CB LYS A 22 -3.470 -5.121 -15.417 1.00 0.00 C ATOM 330 CG LYS A 22 -4.523 -5.888 -14.630 1.00 0.00 C ATOM 331 CD LYS A 22 -4.916 -7.183 -15.321 1.00 0.00 C ATOM 332 CE LYS A 22 -5.410 -6.943 -16.736 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.767 -8.213 -17.421 1.00 0.00 N ATOM 0 H LYS A 22 -5.005 -3.289 -14.789 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.456 -4.138 -13.801 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.879 -4.851 -16.390 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.616 -5.774 -15.600 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.141 -6.110 -13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.407 -5.263 -14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.059 -7.856 -15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.696 -7.680 -14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.280 -6.287 -16.710 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.639 -6.427 -17.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.754 -8.068 -18.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.079 -8.950 -17.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.719 -8.511 -17.126 1.00 0.00 H new ATOM 347 N LYS A 23 -2.588 -2.228 -16.451 1.00 0.00 N ATOM 348 CA LYS A 23 -1.786 -1.388 -17.322 1.00 0.00 C ATOM 349 C LYS A 23 -1.914 0.070 -16.906 1.00 0.00 C ATOM 350 O LYS A 23 -3.012 0.624 -16.858 1.00 0.00 O ATOM 351 CB LYS A 23 -2.180 -1.583 -18.793 1.00 0.00 C ATOM 352 CG LYS A 23 -3.677 -1.513 -19.065 1.00 0.00 C ATOM 353 CD LYS A 23 -3.979 -1.843 -20.517 1.00 0.00 C ATOM 354 CE LYS A 23 -5.473 -1.940 -20.784 1.00 0.00 C ATOM 355 NZ LYS A 23 -6.157 -0.626 -20.666 1.00 0.00 N ATOM 0 H LYS A 23 -3.595 -2.099 -16.550 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.741 -1.683 -17.223 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.679 -0.823 -19.393 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.808 -2.551 -19.130 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.202 -2.210 -18.412 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.047 -0.515 -18.830 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.546 -1.077 -21.160 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.502 -2.787 -20.780 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.635 -2.342 -21.784 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.920 -2.643 -20.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.172 -0.745 -20.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.027 -0.252 -19.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.751 0.040 -21.354 1.00 0.00 H new ATOM 369 N LEU A 24 -0.785 0.673 -16.580 1.00 0.00 N ATOM 370 CA LEU A 24 -0.754 2.047 -16.111 1.00 0.00 C ATOM 371 C LEU A 24 0.138 2.889 -17.011 1.00 0.00 C ATOM 372 O LEU A 24 0.943 2.356 -17.773 1.00 0.00 O ATOM 373 CB LEU A 24 -0.249 2.093 -14.667 1.00 0.00 C ATOM 374 CG LEU A 24 -1.179 1.452 -13.632 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.447 1.218 -12.320 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.400 2.328 -13.406 1.00 0.00 C ATOM 0 H LEU A 24 0.131 0.228 -16.632 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.764 2.456 -16.144 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.719 1.594 -14.621 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.084 3.134 -14.389 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.506 0.486 -14.018 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.127 0.762 -11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.400 0.554 -12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.089 2.170 -11.928 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.052 1.860 -12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.084 3.306 -13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.941 2.447 -14.345 1.00 0.00 H new ATOM 388 N LYS A 25 -0.014 4.200 -16.924 1.00 0.00 N ATOM 389 CA LYS A 25 0.777 5.115 -17.731 1.00 0.00 C ATOM 390 C LYS A 25 1.593 6.028 -16.830 1.00 0.00 C ATOM 391 O LYS A 25 1.291 6.163 -15.646 1.00 0.00 O ATOM 392 CB LYS A 25 -0.134 5.947 -18.638 1.00 0.00 C ATOM 393 CG LYS A 25 -0.952 5.107 -19.610 1.00 0.00 C ATOM 394 CD LYS A 25 -1.849 5.954 -20.505 1.00 0.00 C ATOM 395 CE LYS A 25 -3.004 6.594 -19.740 1.00 0.00 C ATOM 396 NZ LYS A 25 -2.603 7.843 -19.036 1.00 0.00 N ATOM 0 H LYS A 25 -0.680 4.656 -16.301 1.00 0.00 H new ATOM 0 HA LYS A 25 1.456 4.535 -18.357 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.811 6.535 -18.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.475 6.653 -19.203 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.278 4.517 -20.231 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.566 4.403 -19.048 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.253 6.735 -20.976 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.249 5.332 -21.306 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.815 6.817 -20.433 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.393 5.881 -19.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.518 7.655 -18.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.688 8.171 -19.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.323 8.577 -19.194 1.00 0.00 H new ATOM 410 N VAL A 26 2.628 6.638 -17.385 1.00 0.00 N ATOM 411 CA VAL A 26 3.445 7.578 -16.630 1.00 0.00 C ATOM 412 C VAL A 26 2.620 8.807 -16.257 1.00 0.00 C ATOM 413 O VAL A 26 2.207 9.580 -17.122 1.00 0.00 O ATOM 414 CB VAL A 26 4.699 8.009 -17.419 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.543 8.983 -16.608 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.517 6.791 -17.811 1.00 0.00 C ATOM 0 H VAL A 26 2.923 6.501 -18.352 1.00 0.00 H new ATOM 0 HA VAL A 26 3.778 7.072 -15.724 1.00 0.00 H new ATOM 0 HB VAL A 26 4.375 8.519 -18.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.421 9.272 -17.186 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.953 9.870 -16.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.860 8.505 -15.681 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.399 7.109 -18.367 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.827 6.257 -16.913 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.913 6.132 -18.435 1.00 0.00 H new ATOM 426 N GLY A 27 2.364 8.959 -14.967 1.00 0.00 N ATOM 427 CA GLY A 27 1.536 10.048 -14.492 1.00 0.00 C ATOM 428 C GLY A 27 0.181 9.561 -14.026 1.00 0.00 C ATOM 429 O GLY A 27 -0.638 10.339 -13.537 1.00 0.00 O ATOM 0 H GLY A 27 2.718 8.343 -14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.041 10.558 -13.671 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.405 10.780 -15.289 1.00 0.00 H new ATOM 433 N GLU A 28 -0.055 8.264 -14.177 1.00 0.00 N ATOM 434 CA GLU A 28 -1.314 7.661 -13.769 1.00 0.00 C ATOM 435 C GLU A 28 -1.296 7.359 -12.274 1.00 0.00 C ATOM 436 O GLU A 28 -0.268 6.962 -11.722 1.00 0.00 O ATOM 437 CB GLU A 28 -1.566 6.374 -14.563 1.00 0.00 C ATOM 438 CG GLU A 28 -2.917 5.734 -14.294 1.00 0.00 C ATOM 439 CD GLU A 28 -4.074 6.603 -14.737 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.504 6.476 -15.899 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.569 7.408 -13.922 1.00 0.00 O ATOM 0 H GLU A 28 0.613 7.608 -14.581 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.120 8.365 -13.974 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.486 6.595 -15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.782 5.655 -14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.970 4.775 -14.810 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.011 5.527 -13.228 1.00 0.00 H new ATOM 448 N THR A 29 -2.425 7.568 -11.622 1.00 0.00 N ATOM 449 CA THR A 29 -2.538 7.298 -10.201 1.00 0.00 C ATOM 450 C THR A 29 -3.485 6.125 -9.950 1.00 0.00 C ATOM 451 O THR A 29 -4.687 6.215 -10.204 1.00 0.00 O ATOM 452 CB THR A 29 -3.040 8.543 -9.444 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.295 9.698 -9.864 1.00 0.00 O ATOM 454 CG2 THR A 29 -2.892 8.360 -7.941 1.00 0.00 C ATOM 0 H THR A 29 -3.277 7.924 -12.055 1.00 0.00 H new ATOM 0 HA THR A 29 -1.546 7.039 -9.831 1.00 0.00 H new ATOM 0 HB THR A 29 -4.096 8.683 -9.673 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.617 10.488 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.253 9.252 -7.429 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.475 7.496 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.842 8.200 -7.696 1.00 0.00 H new ATOM 462 N ALA A 30 -2.933 5.022 -9.470 1.00 0.00 N ATOM 463 CA ALA A 30 -3.722 3.842 -9.161 1.00 0.00 C ATOM 464 C ALA A 30 -4.195 3.888 -7.717 1.00 0.00 C ATOM 465 O ALA A 30 -3.383 3.940 -6.791 1.00 0.00 O ATOM 466 CB ALA A 30 -2.910 2.581 -9.421 1.00 0.00 C ATOM 0 H ALA A 30 -1.935 4.920 -9.285 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.598 3.826 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.514 1.705 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.616 2.548 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.018 2.587 -8.794 1.00 0.00 H new ATOM 472 N GLU A 31 -5.506 3.886 -7.524 1.00 0.00 N ATOM 473 CA GLU A 31 -6.072 3.930 -6.187 1.00 0.00 C ATOM 474 C GLU A 31 -6.267 2.521 -5.645 1.00 0.00 C ATOM 475 O GLU A 31 -7.231 1.829 -5.989 1.00 0.00 O ATOM 476 CB GLU A 31 -7.397 4.701 -6.183 1.00 0.00 C ATOM 477 CG GLU A 31 -7.239 6.177 -6.526 1.00 0.00 C ATOM 478 CD GLU A 31 -8.544 6.946 -6.478 1.00 0.00 C ATOM 479 OE1 GLU A 31 -8.994 7.297 -5.367 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.117 7.229 -7.552 1.00 0.00 O ATOM 0 H GLU A 31 -6.195 3.854 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.373 4.455 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.079 4.240 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.858 4.611 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.532 6.631 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.808 6.267 -7.523 1.00 0.00 H new ATOM 487 N ILE A 32 -5.334 2.096 -4.807 1.00 0.00 N ATOM 488 CA ILE A 32 -5.400 0.787 -4.189 1.00 0.00 C ATOM 489 C ILE A 32 -6.218 0.872 -2.914 1.00 0.00 C ATOM 490 O ILE A 32 -5.723 1.294 -1.868 1.00 0.00 O ATOM 491 CB ILE A 32 -3.993 0.243 -3.856 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.072 0.354 -5.078 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.079 -1.203 -3.381 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.645 -0.081 -4.814 1.00 0.00 C ATOM 0 H ILE A 32 -4.517 2.646 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.869 0.104 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.571 0.845 -3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.482 -0.252 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.068 1.387 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.079 -1.570 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.700 -1.256 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.520 -1.818 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.057 0.027 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.214 0.541 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.635 -1.124 -4.497 1.00 0.00 H new ATOM 506 N ARG A 33 -7.476 0.490 -3.006 1.00 0.00 N ATOM 507 CA ARG A 33 -8.373 0.563 -1.867 1.00 0.00 C ATOM 508 C ARG A 33 -8.282 -0.717 -1.060 1.00 0.00 C ATOM 509 O ARG A 33 -8.547 -1.804 -1.571 1.00 0.00 O ATOM 510 CB ARG A 33 -9.800 0.819 -2.344 1.00 0.00 C ATOM 511 CG ARG A 33 -9.933 2.124 -3.111 1.00 0.00 C ATOM 512 CD ARG A 33 -11.277 2.248 -3.804 1.00 0.00 C ATOM 513 NE ARG A 33 -11.364 3.489 -4.571 1.00 0.00 N ATOM 514 CZ ARG A 33 -11.371 3.546 -5.903 1.00 0.00 C ATOM 515 NH1 ARG A 33 -11.342 2.434 -6.627 1.00 0.00 N ATOM 516 NH2 ARG A 33 -11.416 4.722 -6.513 1.00 0.00 N ATOM 0 H ARG A 33 -7.902 0.125 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.080 1.392 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.120 -0.006 -2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.469 0.837 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.801 2.961 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.137 2.190 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.427 1.396 -4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.075 2.219 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.423 4.367 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.314 1.525 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.348 2.488 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.445 5.581 -5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.421 4.768 -7.532 1.00 0.00 H new ATOM 530 N CYS A 34 -7.893 -0.584 0.192 1.00 0.00 N ATOM 531 CA CYS A 34 -7.609 -1.739 1.023 1.00 0.00 C ATOM 532 C CYS A 34 -8.545 -1.792 2.222 1.00 0.00 C ATOM 533 O CYS A 34 -8.867 -0.759 2.815 1.00 0.00 O ATOM 534 CB CYS A 34 -6.158 -1.681 1.498 1.00 0.00 C ATOM 535 SG CYS A 34 -4.962 -1.360 0.180 1.00 0.00 S ATOM 0 H CYS A 34 -7.766 0.314 0.658 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.766 -2.640 0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.066 -0.902 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.907 -2.626 1.980 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.367 -0.355 -0.538 1.00 0.00 H new ATOM 541 N GLN A 35 -8.987 -2.992 2.567 1.00 0.00 N ATOM 542 CA GLN A 35 -9.822 -3.187 3.741 1.00 0.00 C ATOM 543 C GLN A 35 -9.158 -4.170 4.697 1.00 0.00 C ATOM 544 O GLN A 35 -8.995 -5.351 4.382 1.00 0.00 O ATOM 545 CB GLN A 35 -11.210 -3.691 3.337 1.00 0.00 C ATOM 546 CG GLN A 35 -12.125 -3.950 4.522 1.00 0.00 C ATOM 547 CD GLN A 35 -13.468 -4.508 4.109 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.633 -5.716 3.974 1.00 0.00 O ATOM 549 NE2 GLN A 35 -14.443 -3.638 3.916 1.00 0.00 N ATOM 0 H GLN A 35 -8.781 -3.846 2.049 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.940 -2.229 4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.678 -2.958 2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.102 -4.611 2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.640 -4.648 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.275 -3.020 5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.268 -2.641 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.371 -3.964 3.645 1.00 0.00 H new ATOM 558 N LEU A 36 -8.763 -3.666 5.854 1.00 0.00 N ATOM 559 CA LEU A 36 -8.119 -4.475 6.875 1.00 0.00 C ATOM 560 C LEU A 36 -9.172 -5.156 7.740 1.00 0.00 C ATOM 561 O LEU A 36 -9.997 -4.496 8.367 1.00 0.00 O ATOM 562 CB LEU A 36 -7.199 -3.585 7.727 1.00 0.00 C ATOM 563 CG LEU A 36 -6.226 -4.311 8.664 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.073 -3.394 9.029 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.922 -4.785 9.930 1.00 0.00 C ATOM 0 H LEU A 36 -8.879 -2.686 6.112 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.515 -5.250 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.619 -2.952 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.824 -2.924 8.328 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.846 -5.186 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.388 -3.919 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.544 -3.097 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.459 -2.507 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.203 -5.295 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.337 -3.928 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.726 -5.473 9.668 1.00 0.00 H new ATOM 577 N HIS A 37 -9.145 -6.478 7.765 1.00 0.00 N ATOM 578 CA HIS A 37 -10.096 -7.240 8.560 1.00 0.00 C ATOM 579 C HIS A 37 -9.534 -7.521 9.946 1.00 0.00 C ATOM 580 O HIS A 37 -8.687 -8.400 10.119 1.00 0.00 O ATOM 581 CB HIS A 37 -10.458 -8.560 7.876 1.00 0.00 C ATOM 582 CG HIS A 37 -11.217 -8.397 6.595 1.00 0.00 C ATOM 583 ND1 HIS A 37 -12.565 -8.658 6.479 1.00 0.00 N ATOM 584 CD2 HIS A 37 -10.805 -8.010 5.365 1.00 0.00 C ATOM 585 CE1 HIS A 37 -12.944 -8.447 5.235 1.00 0.00 C ATOM 586 NE2 HIS A 37 -11.897 -8.050 4.542 1.00 0.00 N ATOM 0 H HIS A 37 -8.476 -7.046 7.245 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.000 -6.638 8.655 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.542 -9.116 7.675 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.052 -9.162 8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.802 -7.723 5.086 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.944 -8.578 4.849 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -11.900 -7.811 3.550 1.00 0.00 H new ATOM 595 N ARG A 38 -9.987 -6.755 10.925 1.00 0.00 N ATOM 596 CA ARG A 38 -9.589 -6.971 12.308 1.00 0.00 C ATOM 597 C ARG A 38 -10.809 -7.212 13.188 1.00 0.00 C ATOM 598 O ARG A 38 -11.638 -6.321 13.386 1.00 0.00 O ATOM 599 CB ARG A 38 -8.765 -5.791 12.841 1.00 0.00 C ATOM 600 CG ARG A 38 -9.424 -4.428 12.677 1.00 0.00 C ATOM 601 CD ARG A 38 -8.611 -3.342 13.362 1.00 0.00 C ATOM 602 NE ARG A 38 -9.172 -2.008 13.150 1.00 0.00 N ATOM 603 CZ ARG A 38 -8.840 -0.933 13.868 1.00 0.00 C ATOM 604 NH1 ARG A 38 -7.967 -1.040 14.864 1.00 0.00 N ATOM 605 NH2 ARG A 38 -9.376 0.249 13.590 1.00 0.00 N ATOM 0 H ARG A 38 -10.632 -5.977 10.788 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.959 -7.860 12.338 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.562 -5.956 13.899 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.802 -5.778 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.527 -4.196 11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.429 -4.454 13.097 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.564 -3.547 14.431 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.588 -3.367 12.987 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.860 -1.892 12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.549 -1.945 15.081 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.715 -0.217 15.412 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.045 0.339 12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.119 1.068 14.141 1.00 0.00 H new ATOM 619 N ASP A 39 -10.934 -8.430 13.690 1.00 0.00 N ATOM 620 CA ASP A 39 -12.018 -8.766 14.592 1.00 0.00 C ATOM 621 C ASP A 39 -11.627 -8.464 16.027 1.00 0.00 C ATOM 622 O ASP A 39 -10.458 -8.577 16.410 1.00 0.00 O ATOM 623 CB ASP A 39 -12.439 -10.229 14.438 1.00 0.00 C ATOM 624 CG ASP A 39 -13.402 -10.428 13.283 1.00 0.00 C ATOM 625 OD1 ASP A 39 -14.600 -10.113 13.445 1.00 0.00 O ATOM 626 OD2 ASP A 39 -12.969 -10.899 12.209 1.00 0.00 O ATOM 0 H ASP A 39 -10.297 -9.201 13.487 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.877 -8.148 14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.554 -10.846 14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.906 -10.570 15.362 1.00 0.00 H new ATOM 631 N GLY A 40 -12.612 -8.078 16.812 1.00 0.00 N ATOM 632 CA GLY A 40 -12.361 -7.614 18.155 1.00 0.00 C ATOM 633 C GLY A 40 -12.257 -8.734 19.164 1.00 0.00 C ATOM 634 O GLY A 40 -13.250 -9.111 19.789 1.00 0.00 O ATOM 0 H GLY A 40 -13.595 -8.078 16.539 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.436 -7.037 18.166 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.162 -6.938 18.454 1.00 0.00 H new ATOM 638 N ARG A 41 -11.062 -9.277 19.312 1.00 0.00 N ATOM 639 CA ARG A 41 -10.789 -10.221 20.381 1.00 0.00 C ATOM 640 C ARG A 41 -10.172 -9.439 21.525 1.00 0.00 C ATOM 641 O ARG A 41 -10.701 -9.401 22.635 1.00 0.00 O ATOM 642 CB ARG A 41 -9.834 -11.326 19.909 1.00 0.00 C ATOM 643 CG ARG A 41 -10.113 -12.692 20.523 1.00 0.00 C ATOM 644 CD ARG A 41 -10.052 -12.676 22.042 1.00 0.00 C ATOM 645 NE ARG A 41 -8.703 -12.415 22.552 1.00 0.00 N ATOM 646 CZ ARG A 41 -8.420 -12.286 23.847 1.00 0.00 C ATOM 647 NH1 ARG A 41 -9.383 -12.366 24.751 1.00 0.00 N ATOM 648 NH2 ARG A 41 -7.174 -12.076 24.247 1.00 0.00 N ATOM 0 H ARG A 41 -10.265 -9.081 18.706 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.710 -10.709 20.698 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.897 -11.407 18.824 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.811 -11.034 20.148 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.099 -13.034 20.207 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.389 -13.412 20.142 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.733 -11.914 22.421 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.402 -13.634 22.426 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.941 -12.328 21.880 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.346 -12.527 24.457 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.162 -12.267 25.742 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.422 -12.012 23.561 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.967 -11.978 25.241 1.00 0.00 H new ATOM 662 N PHE A 42 -9.053 -8.804 21.221 1.00 0.00 N ATOM 663 CA PHE A 42 -8.435 -7.847 22.111 1.00 0.00 C ATOM 664 C PHE A 42 -8.313 -6.512 21.382 1.00 0.00 C ATOM 665 O PHE A 42 -8.658 -5.459 21.923 1.00 0.00 O ATOM 666 CB PHE A 42 -7.062 -8.354 22.557 1.00 0.00 C ATOM 667 CG PHE A 42 -6.288 -7.365 23.372 1.00 0.00 C ATOM 668 CD1 PHE A 42 -6.614 -7.134 24.696 1.00 0.00 C ATOM 669 CD2 PHE A 42 -5.238 -6.664 22.808 1.00 0.00 C ATOM 670 CE1 PHE A 42 -5.905 -6.219 25.447 1.00 0.00 C ATOM 671 CE2 PHE A 42 -4.523 -5.746 23.553 1.00 0.00 C ATOM 672 CZ PHE A 42 -4.858 -5.522 24.874 1.00 0.00 C ATOM 0 H PHE A 42 -8.549 -8.941 20.345 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.047 -7.715 23.003 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.193 -9.266 23.139 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.479 -8.619 21.675 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.432 -7.676 25.147 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.974 -6.836 21.775 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.168 -6.048 26.480 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.704 -5.205 23.103 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.303 -4.803 25.458 1.00 0.00 H new ATOM 682 N GLU A 43 -7.834 -6.590 20.136 1.00 0.00 N ATOM 683 CA GLU A 43 -7.724 -5.431 19.247 1.00 0.00 C ATOM 684 C GLU A 43 -6.819 -4.355 19.860 1.00 0.00 C ATOM 685 O GLU A 43 -5.923 -4.672 20.642 1.00 0.00 O ATOM 686 CB GLU A 43 -9.117 -4.867 18.931 1.00 0.00 C ATOM 687 CG GLU A 43 -9.217 -4.247 17.544 1.00 0.00 C ATOM 688 CD GLU A 43 -10.577 -3.646 17.262 1.00 0.00 C ATOM 689 OE1 GLU A 43 -11.554 -4.409 17.123 1.00 0.00 O ATOM 690 OE2 GLU A 43 -10.673 -2.407 17.166 1.00 0.00 O ATOM 0 H GLU A 43 -7.511 -7.461 19.716 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.266 -5.755 18.312 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.853 -5.666 19.018 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.374 -4.115 19.677 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.456 -3.474 17.442 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.000 -5.009 16.795 1.00 0.00 H new ATOM 697 N GLU A 44 -7.035 -3.092 19.474 1.00 0.00 N ATOM 698 CA GLU A 44 -6.222 -1.972 19.956 1.00 0.00 C ATOM 699 C GLU A 44 -4.739 -2.201 19.669 1.00 0.00 C ATOM 700 O GLU A 44 -3.865 -1.693 20.369 1.00 0.00 O ATOM 701 CB GLU A 44 -6.462 -1.742 21.450 1.00 0.00 C ATOM 702 CG GLU A 44 -7.824 -1.141 21.753 1.00 0.00 C ATOM 703 CD GLU A 44 -8.073 -0.968 23.234 1.00 0.00 C ATOM 704 OE1 GLU A 44 -7.258 -0.298 23.907 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.094 -1.491 23.731 1.00 0.00 O ATOM 0 H GLU A 44 -7.772 -2.820 18.824 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.526 -1.075 19.417 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.366 -2.691 21.977 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.686 -1.082 21.838 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.906 -0.172 21.260 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.600 -1.780 21.331 1.00 0.00 H new ATOM 712 N THR A 45 -4.474 -2.960 18.621 1.00 0.00 N ATOM 713 CA THR A 45 -3.120 -3.241 18.192 1.00 0.00 C ATOM 714 C THR A 45 -2.685 -2.199 17.162 1.00 0.00 C ATOM 715 O THR A 45 -3.492 -1.770 16.336 1.00 0.00 O ATOM 716 CB THR A 45 -3.047 -4.656 17.591 1.00 0.00 C ATOM 717 OG1 THR A 45 -3.671 -5.580 18.493 1.00 0.00 O ATOM 718 CG2 THR A 45 -1.610 -5.082 17.338 1.00 0.00 C ATOM 0 H THR A 45 -5.193 -3.398 18.045 1.00 0.00 H new ATOM 0 HA THR A 45 -2.448 -3.192 19.048 1.00 0.00 H new ATOM 0 HB THR A 45 -3.567 -4.650 16.633 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.630 -6.484 18.116 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.597 -6.086 16.914 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.142 -4.387 16.641 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.059 -5.079 18.278 1.00 0.00 H new ATOM 726 N LYS A 46 -1.429 -1.771 17.224 1.00 0.00 N ATOM 727 CA LYS A 46 -0.945 -0.737 16.318 1.00 0.00 C ATOM 728 C LYS A 46 -0.587 -1.333 14.966 1.00 0.00 C ATOM 729 O LYS A 46 0.277 -2.200 14.873 1.00 0.00 O ATOM 730 CB LYS A 46 0.275 -0.011 16.896 1.00 0.00 C ATOM 731 CG LYS A 46 -0.045 1.190 17.783 1.00 0.00 C ATOM 732 CD LYS A 46 -0.169 0.818 19.254 1.00 0.00 C ATOM 733 CE LYS A 46 -1.523 0.219 19.585 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.590 -0.246 20.992 1.00 0.00 N ATOM 0 H LYS A 46 -0.734 -2.120 17.885 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.751 -0.014 16.192 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.862 -0.724 17.475 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.904 0.324 16.071 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.737 1.941 17.667 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.977 1.646 17.448 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.614 0.106 19.513 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.008 1.706 19.866 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.302 0.961 19.410 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.724 -0.617 18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.415 -0.868 21.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.723 -0.771 21.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.679 0.574 21.625 1.00 0.00 H new ATOM 748 N TYR A 47 -1.258 -0.864 13.926 1.00 0.00 N ATOM 749 CA TYR A 47 -0.976 -1.314 12.571 1.00 0.00 C ATOM 750 C TYR A 47 -0.068 -0.311 11.876 1.00 0.00 C ATOM 751 O TYR A 47 -0.395 0.874 11.784 1.00 0.00 O ATOM 752 CB TYR A 47 -2.275 -1.483 11.779 1.00 0.00 C ATOM 753 CG TYR A 47 -3.226 -2.490 12.383 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.093 -3.845 12.116 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.254 -2.084 13.227 1.00 0.00 C ATOM 756 CE1 TYR A 47 -3.958 -4.769 12.670 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.122 -3.003 13.783 1.00 0.00 C ATOM 758 CZ TYR A 47 -4.968 -4.342 13.503 1.00 0.00 C ATOM 759 OH TYR A 47 -5.826 -5.260 14.063 1.00 0.00 O ATOM 0 H TYR A 47 -2.003 -0.171 13.994 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.474 -2.281 12.620 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.777 -0.518 11.710 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.033 -1.790 10.761 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.301 -4.183 11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.375 -1.034 13.451 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.843 -5.820 12.451 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.918 -2.673 14.434 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.480 -4.795 14.626 1.00 0.00 H new ATOM 769 N PHE A 48 1.069 -0.782 11.400 1.00 0.00 N ATOM 770 CA PHE A 48 2.038 0.082 10.749 1.00 0.00 C ATOM 771 C PHE A 48 2.183 -0.291 9.282 1.00 0.00 C ATOM 772 O PHE A 48 1.999 -1.451 8.904 1.00 0.00 O ATOM 773 CB PHE A 48 3.396 -0.016 11.442 1.00 0.00 C ATOM 774 CG PHE A 48 3.369 0.374 12.891 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.276 1.705 13.259 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.439 -0.592 13.880 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.256 2.067 14.591 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.420 -0.235 15.214 1.00 0.00 C ATOM 779 CZ PHE A 48 3.328 1.096 15.571 1.00 0.00 C ATOM 0 H PHE A 48 1.346 -1.762 11.452 1.00 0.00 H new ATOM 0 HA PHE A 48 1.678 1.108 10.820 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.763 -1.039 11.358 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.107 0.622 10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.219 2.468 12.497 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.509 -1.634 13.606 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.184 3.109 14.867 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.477 -0.996 15.978 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.312 1.377 16.614 1.00 0.00 H new ATOM 789 N ILE A 49 2.516 0.694 8.464 1.00 0.00 N ATOM 790 CA ILE A 49 2.647 0.485 7.037 1.00 0.00 C ATOM 791 C ILE A 49 3.969 1.046 6.512 1.00 0.00 C ATOM 792 O ILE A 49 4.427 2.113 6.938 1.00 0.00 O ATOM 793 CB ILE A 49 1.464 1.124 6.269 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.589 0.849 4.769 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.395 2.623 6.534 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.432 1.382 3.951 1.00 0.00 C ATOM 0 H ILE A 49 2.701 1.650 8.769 1.00 0.00 H new ATOM 0 HA ILE A 49 2.635 -0.592 6.867 1.00 0.00 H new ATOM 0 HB ILE A 49 0.539 0.672 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.515 1.293 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.668 -0.227 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.557 3.051 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.257 2.798 7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.322 3.093 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.592 1.148 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.496 0.919 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.365 2.463 4.077 1.00 0.00 H new ATOM 808 N ARG A 50 4.591 0.286 5.621 1.00 0.00 N ATOM 809 CA ARG A 50 5.778 0.720 4.895 1.00 0.00 C ATOM 810 C ARG A 50 5.963 -0.198 3.696 1.00 0.00 C ATOM 811 O ARG A 50 5.631 -1.377 3.767 1.00 0.00 O ATOM 812 CB ARG A 50 7.028 0.688 5.788 1.00 0.00 C ATOM 813 CG ARG A 50 7.448 -0.708 6.223 1.00 0.00 C ATOM 814 CD ARG A 50 8.733 -0.673 7.029 1.00 0.00 C ATOM 815 NE ARG A 50 9.201 -2.011 7.382 1.00 0.00 N ATOM 816 CZ ARG A 50 10.352 -2.251 8.011 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.163 -1.246 8.326 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.701 -3.496 8.305 1.00 0.00 N ATOM 0 H ARG A 50 4.284 -0.656 5.379 1.00 0.00 H new ATOM 0 HA ARG A 50 5.643 1.751 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.855 1.154 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.842 1.293 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.655 -1.159 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.585 -1.339 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.505 -0.160 6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.573 -0.094 7.939 1.00 0.00 H new ATOM 0 HE ARG A 50 8.614 -2.807 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.905 -0.289 8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.043 -1.432 8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.089 -4.271 8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.582 -3.679 8.786 1.00 0.00 H new ATOM 832 N TYR A 51 6.470 0.322 2.595 1.00 0.00 N ATOM 833 CA TYR A 51 6.619 -0.495 1.402 1.00 0.00 C ATOM 834 C TYR A 51 8.065 -0.542 0.946 1.00 0.00 C ATOM 835 O TYR A 51 8.814 0.424 1.104 1.00 0.00 O ATOM 836 CB TYR A 51 5.714 0.007 0.269 1.00 0.00 C ATOM 837 CG TYR A 51 6.032 1.399 -0.226 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.483 2.513 0.388 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.867 1.597 -1.320 1.00 0.00 C ATOM 840 CE1 TYR A 51 5.757 3.783 -0.069 1.00 0.00 C ATOM 841 CE2 TYR A 51 7.150 2.867 -1.780 1.00 0.00 C ATOM 842 CZ TYR A 51 6.589 3.958 -1.151 1.00 0.00 C ATOM 843 OH TYR A 51 6.859 5.226 -1.604 1.00 0.00 O ATOM 0 H TYR A 51 6.781 1.289 2.499 1.00 0.00 H new ATOM 0 HA TYR A 51 6.311 -1.508 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.786 -0.687 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.680 -0.014 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.830 2.383 1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.301 0.743 -1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.320 4.640 0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.806 3.005 -2.627 1.00 0.00 H new ATOM 0 HH TYR A 51 6.939 5.836 -0.841 1.00 0.00 H new ATOM 853 N PHE A 52 8.448 -1.678 0.397 1.00 0.00 N ATOM 854 CA PHE A 52 9.779 -1.860 -0.140 1.00 0.00 C ATOM 855 C PHE A 52 9.718 -1.851 -1.660 1.00 0.00 C ATOM 856 O PHE A 52 8.968 -2.621 -2.269 1.00 0.00 O ATOM 857 CB PHE A 52 10.383 -3.169 0.370 1.00 0.00 C ATOM 858 CG PHE A 52 11.801 -3.393 -0.069 1.00 0.00 C ATOM 859 CD1 PHE A 52 12.828 -2.640 0.469 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.102 -4.350 -1.023 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.134 -2.837 0.065 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.405 -4.551 -1.432 1.00 0.00 C ATOM 863 CZ PHE A 52 14.423 -3.793 -0.888 1.00 0.00 C ATOM 0 H PHE A 52 7.846 -2.497 0.312 1.00 0.00 H new ATOM 0 HA PHE A 52 10.418 -1.042 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.344 -3.176 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.769 -4.001 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.607 -1.889 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.309 -4.945 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 52 14.928 -2.244 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.628 -5.301 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.443 -3.948 -1.207 1.00 0.00 H new ATOM 873 N GLN A 53 10.488 -0.966 -2.263 1.00 0.00 N ATOM 874 CA GLN A 53 10.520 -0.832 -3.706 1.00 0.00 C ATOM 875 C GLN A 53 11.902 -1.229 -4.223 1.00 0.00 C ATOM 876 O GLN A 53 12.835 -0.427 -4.197 1.00 0.00 O ATOM 877 CB GLN A 53 10.173 0.609 -4.099 1.00 0.00 C ATOM 878 CG GLN A 53 10.025 0.832 -5.597 1.00 0.00 C ATOM 879 CD GLN A 53 9.498 2.216 -5.930 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.814 2.782 -6.974 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.681 2.766 -5.046 1.00 0.00 N ATOM 0 H GLN A 53 11.106 -0.323 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 53 9.781 -1.494 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.242 0.893 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.949 1.273 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.992 0.689 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.350 0.081 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.442 2.264 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.290 3.692 -5.220 1.00 0.00 H new ATOM 890 N PRO A 54 12.054 -2.492 -4.659 1.00 0.00 N ATOM 891 CA PRO A 54 13.340 -3.030 -5.119 1.00 0.00 C ATOM 892 C PRO A 54 13.844 -2.342 -6.383 1.00 0.00 C ATOM 893 O PRO A 54 15.014 -1.968 -6.472 1.00 0.00 O ATOM 894 CB PRO A 54 13.041 -4.507 -5.405 1.00 0.00 C ATOM 895 CG PRO A 54 11.748 -4.789 -4.721 1.00 0.00 C ATOM 896 CD PRO A 54 10.988 -3.498 -4.727 1.00 0.00 C ATOM 0 HA PRO A 54 14.123 -2.876 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.967 -4.692 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.835 -5.149 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.194 -5.570 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.914 -5.140 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.385 -3.388 -5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.308 -3.425 -3.878 1.00 0.00 H new ATOM 904 N ASP A 55 12.963 -2.181 -7.360 1.00 0.00 N ATOM 905 CA ASP A 55 13.329 -1.542 -8.616 1.00 0.00 C ATOM 906 C ASP A 55 12.123 -0.852 -9.226 1.00 0.00 C ATOM 907 O ASP A 55 11.004 -1.354 -9.135 1.00 0.00 O ATOM 908 CB ASP A 55 13.894 -2.566 -9.606 1.00 0.00 C ATOM 909 CG ASP A 55 14.308 -1.931 -10.921 1.00 0.00 C ATOM 910 OD1 ASP A 55 15.306 -1.175 -10.930 1.00 0.00 O ATOM 911 OD2 ASP A 55 13.632 -2.171 -11.946 1.00 0.00 O ATOM 0 H ASP A 55 11.990 -2.484 -7.307 1.00 0.00 H new ATOM 0 HA ASP A 55 14.099 -0.800 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.755 -3.063 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.145 -3.335 -9.797 1.00 0.00 H new ATOM 916 N GLY A 56 12.352 0.306 -9.822 1.00 0.00 N ATOM 917 CA GLY A 56 11.284 1.019 -10.482 1.00 0.00 C ATOM 918 C GLY A 56 11.261 2.487 -10.126 1.00 0.00 C ATOM 919 O GLY A 56 12.265 3.039 -9.663 1.00 0.00 O ATOM 0 H GLY A 56 13.262 0.765 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.393 0.912 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.329 0.568 -10.212 1.00 0.00 H new ATOM 923 N ALA A 57 10.119 3.114 -10.347 1.00 0.00 N ATOM 924 CA ALA A 57 9.925 4.517 -10.035 1.00 0.00 C ATOM 925 C ALA A 57 8.445 4.792 -9.804 1.00 0.00 C ATOM 926 O ALA A 57 7.693 5.046 -10.745 1.00 0.00 O ATOM 927 CB ALA A 57 10.462 5.399 -11.153 1.00 0.00 C ATOM 0 H ALA A 57 9.298 2.662 -10.749 1.00 0.00 H new ATOM 0 HA ALA A 57 10.478 4.753 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.305 6.447 -10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.528 5.213 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.938 5.170 -12.081 1.00 0.00 H new ATOM 933 N GLY A 58 8.021 4.699 -8.557 1.00 0.00 N ATOM 934 CA GLY A 58 6.628 4.926 -8.239 1.00 0.00 C ATOM 935 C GLY A 58 6.444 5.482 -6.846 1.00 0.00 C ATOM 936 O GLY A 58 7.009 4.959 -5.885 1.00 0.00 O ATOM 0 H GLY A 58 8.614 4.471 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.200 5.618 -8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.079 3.989 -8.330 1.00 0.00 H new ATOM 940 N THR A 59 5.664 6.544 -6.743 1.00 0.00 N ATOM 941 CA THR A 59 5.402 7.183 -5.468 1.00 0.00 C ATOM 942 C THR A 59 4.108 6.648 -4.863 1.00 0.00 C ATOM 943 O THR A 59 3.020 6.878 -5.397 1.00 0.00 O ATOM 944 CB THR A 59 5.296 8.711 -5.637 1.00 0.00 C ATOM 945 OG1 THR A 59 6.425 9.196 -6.376 1.00 0.00 O ATOM 946 CG2 THR A 59 5.233 9.408 -4.287 1.00 0.00 C ATOM 0 H THR A 59 5.198 6.984 -7.536 1.00 0.00 H new ATOM 0 HA THR A 59 6.233 6.957 -4.800 1.00 0.00 H new ATOM 0 HB THR A 59 4.377 8.931 -6.181 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.353 10.168 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.159 10.485 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.360 9.057 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.135 9.182 -3.718 1.00 0.00 H new ATOM 954 N LEU A 60 4.228 5.921 -3.764 1.00 0.00 N ATOM 955 CA LEU A 60 3.064 5.366 -3.096 1.00 0.00 C ATOM 956 C LEU A 60 2.693 6.211 -1.885 1.00 0.00 C ATOM 957 O LEU A 60 3.414 6.248 -0.885 1.00 0.00 O ATOM 958 CB LEU A 60 3.322 3.916 -2.676 1.00 0.00 C ATOM 959 CG LEU A 60 2.119 3.190 -2.065 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.988 3.082 -3.076 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.522 1.810 -1.569 1.00 0.00 C ATOM 0 H LEU A 60 5.118 5.702 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 60 2.229 5.377 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.659 3.356 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.139 3.903 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 60 1.765 3.772 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.143 2.563 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.678 4.081 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.331 2.524 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.654 1.310 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.903 1.221 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.298 1.909 -0.810 1.00 0.00 H new ATOM 973 N LYS A 61 1.577 6.908 -1.992 1.00 0.00 N ATOM 974 CA LYS A 61 1.091 7.740 -0.907 1.00 0.00 C ATOM 975 C LYS A 61 -0.107 7.090 -0.236 1.00 0.00 C ATOM 976 O LYS A 61 -0.750 6.215 -0.808 1.00 0.00 O ATOM 977 CB LYS A 61 0.703 9.129 -1.422 1.00 0.00 C ATOM 978 CG LYS A 61 1.869 9.924 -1.987 1.00 0.00 C ATOM 979 CD LYS A 61 1.420 11.291 -2.484 1.00 0.00 C ATOM 980 CE LYS A 61 0.431 11.165 -3.626 1.00 0.00 C ATOM 981 NZ LYS A 61 -0.024 12.490 -4.117 1.00 0.00 N ATOM 0 H LYS A 61 0.987 6.914 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 61 1.894 7.847 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.058 9.020 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.251 9.695 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.633 10.047 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.326 9.369 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.964 11.846 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.287 11.864 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.892 10.614 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.431 10.585 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.699 12.358 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.487 13.007 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.795 13.035 -4.456 1.00 0.00 H new ATOM 995 N MET A 62 -0.396 7.512 0.977 1.00 0.00 N ATOM 996 CA MET A 62 -1.558 7.022 1.689 1.00 0.00 C ATOM 997 C MET A 62 -2.742 7.949 1.422 1.00 0.00 C ATOM 998 O MET A 62 -2.570 9.025 0.851 1.00 0.00 O ATOM 999 CB MET A 62 -1.250 6.916 3.190 1.00 0.00 C ATOM 1000 CG MET A 62 -2.299 6.154 3.989 1.00 0.00 C ATOM 1001 SD MET A 62 -1.731 5.705 5.639 1.00 0.00 S ATOM 1002 CE MET A 62 -1.270 7.306 6.294 1.00 0.00 C ATOM 0 H MET A 62 0.159 8.195 1.492 1.00 0.00 H new ATOM 0 HA MET A 62 -1.817 6.024 1.335 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.285 6.426 3.318 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.154 7.921 3.602 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.199 6.764 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.576 5.250 3.447 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.395 7.306 7.377 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.228 7.513 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.905 8.075 5.855 1.00 0.00 H new ATOM 1012 N SER A 63 -3.931 7.524 1.825 1.00 0.00 N ATOM 1013 CA SER A 63 -5.164 8.268 1.596 1.00 0.00 C ATOM 1014 C SER A 63 -5.079 9.706 2.104 1.00 0.00 C ATOM 1015 O SER A 63 -5.687 10.615 1.535 1.00 0.00 O ATOM 1016 CB SER A 63 -6.312 7.529 2.281 1.00 0.00 C ATOM 1017 OG SER A 63 -5.867 6.905 3.477 1.00 0.00 O ATOM 0 H SER A 63 -4.069 6.646 2.325 1.00 0.00 H new ATOM 0 HA SER A 63 -5.335 8.328 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.117 8.228 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.723 6.779 1.605 1.00 0.00 H new ATOM 0 HG SER A 63 -6.617 6.439 3.901 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.310 9.900 3.162 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.154 11.213 3.777 1.00 0.00 C ATOM 1025 C ASP A 64 -3.255 12.116 2.937 1.00 0.00 C ATOM 1026 O ASP A 64 -3.105 13.300 3.230 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.561 11.060 5.177 1.00 0.00 C ATOM 1028 CG ASP A 64 -4.385 10.143 6.058 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -4.342 8.914 5.846 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -5.076 10.649 6.968 1.00 0.00 O ATOM 0 H ASP A 64 -3.778 9.159 3.619 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.139 11.676 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.547 10.668 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.488 12.041 5.647 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.655 11.553 1.897 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.739 12.308 1.061 1.00 0.00 C ATOM 1037 C GLY A 65 -0.305 12.125 1.505 1.00 0.00 C ATOM 1038 O GLY A 65 0.631 12.542 0.823 1.00 0.00 O ATOM 0 H GLY A 65 -2.787 10.582 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.844 11.989 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.000 13.366 1.097 1.00 0.00 H new ATOM 1042 N THR A 66 -0.143 11.496 2.660 1.00 0.00 N ATOM 1043 CA THR A 66 1.167 11.235 3.229 1.00 0.00 C ATOM 1044 C THR A 66 1.974 10.289 2.342 1.00 0.00 C ATOM 1045 O THR A 66 1.527 9.180 2.039 1.00 0.00 O ATOM 1046 CB THR A 66 1.027 10.625 4.639 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.234 11.492 5.462 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.387 10.407 5.290 1.00 0.00 C ATOM 0 H THR A 66 -0.918 11.153 3.228 1.00 0.00 H new ATOM 0 HA THR A 66 1.696 12.186 3.296 1.00 0.00 H new ATOM 0 HB THR A 66 0.539 9.655 4.540 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.145 11.102 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.251 9.976 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.979 9.727 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.906 11.362 5.377 1.00 0.00 H new ATOM 1056 N VAL A 67 3.146 10.740 1.917 1.00 0.00 N ATOM 1057 CA VAL A 67 4.049 9.903 1.145 1.00 0.00 C ATOM 1058 C VAL A 67 4.708 8.896 2.072 1.00 0.00 C ATOM 1059 O VAL A 67 5.337 9.271 3.062 1.00 0.00 O ATOM 1060 CB VAL A 67 5.133 10.737 0.427 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.035 9.847 -0.412 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.497 11.821 -0.433 1.00 0.00 C ATOM 0 H VAL A 67 3.493 11.683 2.095 1.00 0.00 H new ATOM 0 HA VAL A 67 3.467 9.390 0.379 1.00 0.00 H new ATOM 0 HB VAL A 67 5.747 11.220 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.790 10.458 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.525 9.116 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.438 9.328 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.278 12.397 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.854 11.360 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.903 12.483 0.197 1.00 0.00 H new ATOM 1072 N LEU A 68 4.550 7.623 1.770 1.00 0.00 N ATOM 1073 CA LEU A 68 5.022 6.574 2.655 1.00 0.00 C ATOM 1074 C LEU A 68 6.480 6.231 2.369 1.00 0.00 C ATOM 1075 O LEU A 68 6.915 6.232 1.215 1.00 0.00 O ATOM 1076 CB LEU A 68 4.140 5.335 2.509 1.00 0.00 C ATOM 1077 CG LEU A 68 2.648 5.573 2.757 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.853 4.316 2.456 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.403 6.027 4.188 1.00 0.00 C ATOM 0 H LEU A 68 4.099 7.289 0.919 1.00 0.00 H new ATOM 0 HA LEU A 68 4.960 6.934 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.267 4.933 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.492 4.572 3.204 1.00 0.00 H new ATOM 0 HG LEU A 68 2.314 6.365 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.795 4.503 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.998 4.035 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.194 3.506 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.336 6.190 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.755 5.261 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.942 6.956 4.372 1.00 0.00 H new ATOM 1091 N LEU A 69 7.231 5.963 3.428 1.00 0.00 N ATOM 1092 CA LEU A 69 8.638 5.605 3.313 1.00 0.00 C ATOM 1093 C LEU A 69 8.913 4.302 4.061 1.00 0.00 C ATOM 1094 O LEU A 69 8.183 3.946 4.984 1.00 0.00 O ATOM 1095 CB LEU A 69 9.538 6.718 3.874 1.00 0.00 C ATOM 1096 CG LEU A 69 9.761 7.945 2.973 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.129 7.520 1.558 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.543 8.858 2.970 1.00 0.00 C ATOM 0 H LEU A 69 6.884 5.987 4.387 1.00 0.00 H new ATOM 0 HA LEU A 69 8.865 5.473 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.109 7.061 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.511 6.285 4.106 1.00 0.00 H new ATOM 0 HG LEU A 69 10.597 8.512 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.282 8.405 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.046 6.932 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.323 6.919 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.733 9.715 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.678 8.309 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.346 9.205 3.984 1.00 0.00 H new ATOM 1110 N PRO A 70 9.954 3.555 3.659 1.00 0.00 N ATOM 1111 CA PRO A 70 10.356 2.332 4.354 1.00 0.00 C ATOM 1112 C PRO A 70 11.198 2.610 5.602 1.00 0.00 C ATOM 1113 O PRO A 70 11.267 1.784 6.516 1.00 0.00 O ATOM 1114 CB PRO A 70 11.184 1.596 3.303 1.00 0.00 C ATOM 1115 CG PRO A 70 11.779 2.676 2.466 1.00 0.00 C ATOM 1116 CD PRO A 70 10.793 3.818 2.473 1.00 0.00 C ATOM 0 HA PRO A 70 9.497 1.769 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.957 0.983 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.563 0.929 2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.741 2.992 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.958 2.325 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.298 4.781 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.199 3.838 1.560 1.00 0.00 H new ATOM 1124 N ASN A 71 11.834 3.778 5.635 1.00 0.00 N ATOM 1125 CA ASN A 71 12.694 4.159 6.754 1.00 0.00 C ATOM 1126 C ASN A 71 11.893 4.881 7.830 1.00 0.00 C ATOM 1127 O ASN A 71 12.279 4.899 8.999 1.00 0.00 O ATOM 1128 CB ASN A 71 13.857 5.047 6.281 1.00 0.00 C ATOM 1129 CG ASN A 71 13.399 6.347 5.639 1.00 0.00 C ATOM 1130 OD1 ASN A 71 12.356 6.399 4.988 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.174 7.404 5.818 1.00 0.00 N ATOM 0 H ASN A 71 11.770 4.480 4.898 1.00 0.00 H new ATOM 0 HA ASN A 71 13.108 3.244 7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.499 5.276 7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.462 4.490 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.914 8.302 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.031 7.321 6.364 1.00 0.00 H new ATOM 1138 N ASP A 72 10.780 5.478 7.431 1.00 0.00 N ATOM 1139 CA ASP A 72 9.900 6.160 8.367 1.00 0.00 C ATOM 1140 C ASP A 72 8.597 5.385 8.470 1.00 0.00 C ATOM 1141 O ASP A 72 7.832 5.314 7.511 1.00 0.00 O ATOM 1142 CB ASP A 72 9.629 7.595 7.909 1.00 0.00 C ATOM 1143 CG ASP A 72 9.217 8.504 9.052 1.00 0.00 C ATOM 1144 OD1 ASP A 72 8.104 8.339 9.589 1.00 0.00 O ATOM 1145 OD2 ASP A 72 10.016 9.391 9.423 1.00 0.00 O ATOM 0 H ASP A 72 10.464 5.504 6.461 1.00 0.00 H new ATOM 0 HA ASP A 72 10.380 6.206 9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.525 7.997 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.844 7.589 7.153 1.00 0.00 H new ATOM 1150 N LEU A 73 8.356 4.790 9.624 1.00 0.00 N ATOM 1151 CA LEU A 73 7.232 3.879 9.791 1.00 0.00 C ATOM 1152 C LEU A 73 5.964 4.635 10.172 1.00 0.00 C ATOM 1153 O LEU A 73 5.895 5.256 11.236 1.00 0.00 O ATOM 1154 CB LEU A 73 7.565 2.831 10.852 1.00 0.00 C ATOM 1155 CG LEU A 73 6.542 1.705 11.009 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.401 0.926 9.709 1.00 0.00 C ATOM 1157 CD2 LEU A 73 6.947 0.779 12.148 1.00 0.00 C ATOM 0 H LEU A 73 8.923 4.920 10.462 1.00 0.00 H new ATOM 0 HA LEU A 73 7.051 3.379 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.532 2.389 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.676 3.334 11.813 1.00 0.00 H new ATOM 0 HG LEU A 73 5.574 2.146 11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.669 0.129 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.069 1.597 8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.364 0.493 9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.210 -0.018 12.249 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.924 0.345 11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.997 1.346 13.078 1.00 0.00 H new ATOM 1169 N TYR A 74 4.961 4.565 9.307 1.00 0.00 N ATOM 1170 CA TYR A 74 3.708 5.274 9.534 1.00 0.00 C ATOM 1171 C TYR A 74 2.619 4.307 9.981 1.00 0.00 C ATOM 1172 O TYR A 74 2.611 3.147 9.575 1.00 0.00 O ATOM 1173 CB TYR A 74 3.271 6.005 8.258 1.00 0.00 C ATOM 1174 CG TYR A 74 4.257 7.051 7.788 1.00 0.00 C ATOM 1175 CD1 TYR A 74 4.381 8.262 8.456 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.072 6.824 6.685 1.00 0.00 C ATOM 1177 CE1 TYR A 74 5.285 9.217 8.038 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.982 7.776 6.263 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.084 8.971 6.944 1.00 0.00 C ATOM 1180 OH TYR A 74 6.995 9.919 6.538 1.00 0.00 O ATOM 0 H TYR A 74 4.990 4.025 8.442 1.00 0.00 H new ATOM 0 HA TYR A 74 3.867 6.008 10.324 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.124 5.274 7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.307 6.481 8.435 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.760 8.460 9.317 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.993 5.890 6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.366 10.155 8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.609 7.585 5.405 1.00 0.00 H new ATOM 0 HH TYR A 74 7.764 9.477 6.121 1.00 0.00 H new ATOM 1190 N PRO A 75 1.702 4.759 10.846 1.00 0.00 N ATOM 1191 CA PRO A 75 0.573 3.957 11.295 1.00 0.00 C ATOM 1192 C PRO A 75 -0.622 4.069 10.349 1.00 0.00 C ATOM 1193 O PRO A 75 -0.765 5.059 9.629 1.00 0.00 O ATOM 1194 CB PRO A 75 0.229 4.556 12.668 1.00 0.00 C ATOM 1195 CG PRO A 75 1.086 5.779 12.830 1.00 0.00 C ATOM 1196 CD PRO A 75 1.694 6.074 11.487 1.00 0.00 C ATOM 0 HA PRO A 75 0.814 2.895 11.331 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.829 4.814 12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.425 3.838 13.464 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.490 6.623 13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.863 5.609 13.576 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.103 6.796 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.699 6.487 11.578 1.00 0.00 H new ATOM 1204 N LEU A 76 -1.473 3.054 10.352 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.663 3.052 9.511 1.00 0.00 C ATOM 1206 C LEU A 76 -3.807 3.802 10.188 1.00 0.00 C ATOM 1207 O LEU A 76 -3.988 3.706 11.402 1.00 0.00 O ATOM 1208 CB LEU A 76 -3.088 1.617 9.191 1.00 0.00 C ATOM 1209 CG LEU A 76 -2.142 0.859 8.260 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.611 -0.576 8.081 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -2.058 1.566 6.914 1.00 0.00 C ATOM 0 H LEU A 76 -1.362 2.219 10.928 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.421 3.563 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.176 1.063 10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.079 1.639 8.738 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.148 0.840 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.927 -1.102 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.631 -1.076 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.612 -0.581 7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.382 1.019 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.049 1.607 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.683 2.579 7.058 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.585 4.572 9.408 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.691 5.377 9.941 1.00 0.00 C ATOM 1225 C PRO A 77 -6.881 4.533 10.402 1.00 0.00 C ATOM 1226 O PRO A 77 -7.585 4.904 11.344 1.00 0.00 O ATOM 1227 CB PRO A 77 -6.086 6.263 8.758 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.661 5.506 7.549 1.00 0.00 C ATOM 1229 CD PRO A 77 -4.437 4.727 7.947 1.00 0.00 C ATOM 0 HA PRO A 77 -5.390 5.931 10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.159 6.452 8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.592 7.233 8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.453 4.839 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.440 6.183 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.395 3.761 7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.521 5.260 7.691 1.00 0.00 H new ATOM 1237 N GLY A 78 -7.101 3.401 9.746 1.00 0.00 N ATOM 1238 CA GLY A 78 -8.223 2.551 10.092 1.00 0.00 C ATOM 1239 C GLY A 78 -8.257 1.289 9.259 1.00 0.00 C ATOM 1240 O GLY A 78 -7.259 0.932 8.632 1.00 0.00 O ATOM 0 H GLY A 78 -6.522 3.056 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.165 2.287 11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.152 3.103 9.952 1.00 0.00 H new ATOM 1244 N GLU A 79 -9.400 0.613 9.256 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.561 -0.619 8.492 1.00 0.00 C ATOM 1246 C GLU A 79 -9.583 -0.322 7.001 1.00 0.00 C ATOM 1247 O GLU A 79 -8.909 -0.983 6.211 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.856 -1.347 8.874 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.997 -1.641 10.357 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.665 -0.515 11.119 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.974 0.451 11.494 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -12.887 -0.600 11.356 1.00 0.00 O ATOM 0 H GLU A 79 -10.231 0.898 9.775 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.712 -1.261 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.705 -0.744 8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.906 -2.286 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.576 -2.555 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.010 -1.825 10.781 1.00 0.00 H new ATOM 1259 N THR A 80 -10.358 0.679 6.625 1.00 0.00 N ATOM 1260 CA THR A 80 -10.511 1.036 5.231 1.00 0.00 C ATOM 1261 C THR A 80 -9.607 2.215 4.890 1.00 0.00 C ATOM 1262 O THR A 80 -9.864 3.348 5.297 1.00 0.00 O ATOM 1263 CB THR A 80 -11.974 1.390 4.906 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.846 0.375 5.427 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.182 1.505 3.402 1.00 0.00 C ATOM 0 H THR A 80 -10.893 1.260 7.271 1.00 0.00 H new ATOM 0 HA THR A 80 -10.225 0.174 4.629 1.00 0.00 H new ATOM 0 HB THR A 80 -12.204 2.350 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.776 0.605 5.220 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.223 1.756 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.535 2.287 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.937 0.555 2.927 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.536 1.934 4.168 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.591 2.965 3.774 1.00 0.00 C ATOM 1275 C PHE A 81 -7.289 2.861 2.286 1.00 0.00 C ATOM 1276 O PHE A 81 -7.573 1.842 1.651 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.302 2.874 4.605 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.620 1.538 4.549 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -6.011 0.512 5.394 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.583 1.312 3.661 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.385 -0.717 5.352 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.952 0.086 3.612 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.353 -0.929 4.461 1.00 0.00 C ATOM 0 H PHE A 81 -8.298 0.997 3.842 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.041 3.939 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.606 3.638 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.537 3.105 5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.816 0.676 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.264 2.104 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.701 -1.510 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.147 -0.081 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.858 -1.888 4.427 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.725 3.918 1.724 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.484 3.974 0.291 1.00 0.00 C ATOM 1295 C ARG A 82 -5.018 4.254 0.009 1.00 0.00 C ATOM 1296 O ARG A 82 -4.424 5.149 0.604 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.364 5.057 -0.341 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.845 4.849 -0.077 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.652 6.108 -0.340 1.00 0.00 C ATOM 1300 NE ARG A 82 -11.065 5.911 -0.013 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.654 6.376 1.091 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.977 7.123 1.955 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -12.928 6.101 1.329 1.00 0.00 N ATOM 0 H ARG A 82 -6.426 4.747 2.237 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.739 3.009 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.065 6.031 0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.192 5.075 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.216 4.042 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.988 4.536 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.251 6.930 0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.555 6.393 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.637 5.384 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.998 7.346 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.436 7.473 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.459 5.534 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.377 6.457 2.173 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.435 3.470 -0.879 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.052 3.666 -1.275 1.00 0.00 C ATOM 1319 C LEU A 83 -2.991 4.259 -2.673 1.00 0.00 C ATOM 1320 O LEU A 83 -3.466 3.659 -3.634 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.286 2.344 -1.227 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.191 1.696 0.157 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.388 0.405 0.085 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.568 2.665 1.154 1.00 0.00 C ATOM 0 H LEU A 83 -4.900 2.689 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.585 4.359 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.764 1.640 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.276 2.514 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.197 1.453 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.330 -0.043 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.876 -0.289 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.382 0.622 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.507 2.190 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.567 2.937 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.184 3.562 1.223 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.413 5.440 -2.777 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.335 6.145 -4.043 1.00 0.00 C ATOM 1338 C TYR A 84 -0.991 5.903 -4.707 1.00 0.00 C ATOM 1339 O TYR A 84 0.019 6.510 -4.347 1.00 0.00 O ATOM 1340 CB TYR A 84 -2.582 7.642 -3.840 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.025 7.954 -3.528 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -4.540 7.774 -2.250 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -4.881 8.397 -4.525 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -5.868 8.033 -1.975 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.209 8.653 -4.260 1.00 0.00 C ATOM 1346 CZ TYR A 84 -6.698 8.469 -2.986 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.028 8.707 -2.728 1.00 0.00 O ATOM 0 H TYR A 84 -1.987 5.935 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.113 5.759 -4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.952 8.004 -3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.284 8.181 -4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.891 7.426 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.501 8.544 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.254 7.895 -0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.863 8.996 -5.048 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.574 8.325 -3.447 1.00 0.00 H new ATOM 1357 N TYR A 85 -0.990 4.994 -5.665 1.00 0.00 N ATOM 1358 CA TYR A 85 0.220 4.627 -6.375 1.00 0.00 C ATOM 1359 C TYR A 85 0.387 5.487 -7.621 1.00 0.00 C ATOM 1360 O TYR A 85 -0.336 5.326 -8.605 1.00 0.00 O ATOM 1361 CB TYR A 85 0.172 3.143 -6.751 1.00 0.00 C ATOM 1362 CG TYR A 85 1.366 2.667 -7.550 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.621 2.547 -6.963 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.235 2.335 -8.892 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.708 2.111 -7.694 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.319 1.897 -9.627 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.550 1.788 -9.023 1.00 0.00 C ATOM 1368 OH TYR A 85 4.629 1.350 -9.749 1.00 0.00 O ATOM 0 H TYR A 85 -1.824 4.492 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 85 1.077 4.798 -5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.100 2.551 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.735 2.954 -7.326 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.747 2.798 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.270 2.421 -9.369 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.677 2.024 -7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.201 1.642 -10.670 1.00 0.00 H new ATOM 0 HH TYR A 85 4.350 1.163 -10.670 1.00 0.00 H new ATOM 1378 N THR A 86 1.332 6.409 -7.569 1.00 0.00 N ATOM 1379 CA THR A 86 1.620 7.260 -8.706 1.00 0.00 C ATOM 1380 C THR A 86 2.662 6.600 -9.604 1.00 0.00 C ATOM 1381 O THR A 86 3.835 6.490 -9.236 1.00 0.00 O ATOM 1382 CB THR A 86 2.118 8.641 -8.245 1.00 0.00 C ATOM 1383 OG1 THR A 86 1.212 9.171 -7.267 1.00 0.00 O ATOM 1384 CG2 THR A 86 2.221 9.609 -9.417 1.00 0.00 C ATOM 0 H THR A 86 1.913 6.586 -6.750 1.00 0.00 H new ATOM 0 HA THR A 86 0.699 7.400 -9.271 1.00 0.00 H new ATOM 0 HB THR A 86 3.111 8.521 -7.812 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.528 10.050 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.575 10.576 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.921 9.215 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.240 9.729 -9.877 1.00 0.00 H new ATOM 1392 N SER A 87 2.221 6.143 -10.765 1.00 0.00 N ATOM 1393 CA SER A 87 3.090 5.452 -11.699 1.00 0.00 C ATOM 1394 C SER A 87 3.983 6.436 -12.444 1.00 0.00 C ATOM 1395 O SER A 87 3.529 7.160 -13.329 1.00 0.00 O ATOM 1396 CB SER A 87 2.249 4.654 -12.694 1.00 0.00 C ATOM 1397 OG SER A 87 1.324 3.820 -12.019 1.00 0.00 O ATOM 0 H SER A 87 1.257 6.240 -11.083 1.00 0.00 H new ATOM 0 HA SER A 87 3.729 4.772 -11.136 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.715 5.337 -13.354 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.901 4.047 -13.323 1.00 0.00 H new ATOM 0 HG SER A 87 1.791 3.306 -11.328 1.00 0.00 H new ATOM 1403 N ALA A 88 5.250 6.471 -12.066 1.00 0.00 N ATOM 1404 CA ALA A 88 6.228 7.293 -12.761 1.00 0.00 C ATOM 1405 C ALA A 88 7.023 6.433 -13.735 1.00 0.00 C ATOM 1406 O ALA A 88 7.927 6.913 -14.417 1.00 0.00 O ATOM 1407 CB ALA A 88 7.153 7.980 -11.767 1.00 0.00 C ATOM 0 H ALA A 88 5.626 5.939 -11.281 1.00 0.00 H new ATOM 0 HA ALA A 88 5.706 8.068 -13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.878 8.590 -12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.566 8.615 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.678 7.228 -11.179 1.00 0.00 H new ATOM 1413 N SER A 89 6.669 5.161 -13.785 1.00 0.00 N ATOM 1414 CA SER A 89 7.313 4.208 -14.666 1.00 0.00 C ATOM 1415 C SER A 89 6.363 3.801 -15.793 1.00 0.00 C ATOM 1416 O SER A 89 5.153 4.016 -15.706 1.00 0.00 O ATOM 1417 CB SER A 89 7.745 2.983 -13.858 1.00 0.00 C ATOM 1418 OG SER A 89 6.697 2.548 -13.004 1.00 0.00 O ATOM 0 H SER A 89 5.925 4.761 -13.214 1.00 0.00 H new ATOM 0 HA SER A 89 8.193 4.668 -15.115 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.028 2.176 -14.535 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.627 3.225 -13.265 1.00 0.00 H new ATOM 0 HG SER A 89 7.077 2.210 -12.166 1.00 0.00 H new ATOM 1424 N THR A 90 6.917 3.230 -16.853 1.00 0.00 N ATOM 1425 CA THR A 90 6.121 2.784 -17.986 1.00 0.00 C ATOM 1426 C THR A 90 6.351 1.295 -18.254 1.00 0.00 C ATOM 1427 O THR A 90 5.919 0.760 -19.278 1.00 0.00 O ATOM 1428 CB THR A 90 6.455 3.609 -19.254 1.00 0.00 C ATOM 1429 OG1 THR A 90 5.626 3.204 -20.356 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.919 3.454 -19.634 1.00 0.00 C ATOM 0 H THR A 90 7.919 3.064 -16.951 1.00 0.00 H new ATOM 0 HA THR A 90 5.071 2.938 -17.739 1.00 0.00 H new ATOM 0 HB THR A 90 6.260 4.657 -19.027 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.399 2.255 -20.263 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.127 4.043 -20.527 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.547 3.803 -18.814 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.134 2.404 -19.833 1.00 0.00 H new ATOM 1438 N ASP A 91 7.016 0.631 -17.316 1.00 0.00 N ATOM 1439 CA ASP A 91 7.318 -0.791 -17.440 1.00 0.00 C ATOM 1440 C ASP A 91 7.089 -1.496 -16.108 1.00 0.00 C ATOM 1441 O ASP A 91 6.615 -0.877 -15.154 1.00 0.00 O ATOM 1442 CB ASP A 91 8.757 -1.006 -17.931 1.00 0.00 C ATOM 1443 CG ASP A 91 9.799 -0.398 -17.014 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.070 0.816 -17.136 1.00 0.00 O ATOM 1445 OD2 ASP A 91 10.374 -1.131 -16.184 1.00 0.00 O ATOM 0 H ASP A 91 7.359 1.058 -16.455 1.00 0.00 H new ATOM 0 HA ASP A 91 6.645 -1.223 -18.181 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.946 -2.075 -18.026 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.862 -0.574 -18.926 1.00 0.00 H new ATOM 1450 N GLN A 92 7.421 -2.785 -16.050 1.00 0.00 N ATOM 1451 CA GLN A 92 7.140 -3.607 -14.874 1.00 0.00 C ATOM 1452 C GLN A 92 7.838 -3.076 -13.625 1.00 0.00 C ATOM 1453 O GLN A 92 9.027 -2.747 -13.645 1.00 0.00 O ATOM 1454 CB GLN A 92 7.551 -5.066 -15.113 1.00 0.00 C ATOM 1455 CG GLN A 92 7.367 -5.947 -13.885 1.00 0.00 C ATOM 1456 CD GLN A 92 7.794 -7.385 -14.101 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.692 -7.923 -15.204 1.00 0.00 O ATOM 1458 NE2 GLN A 92 8.292 -8.009 -13.046 1.00 0.00 N ATOM 0 H GLN A 92 7.887 -3.284 -16.808 1.00 0.00 H new ATOM 0 HA GLN A 92 6.064 -3.559 -14.708 1.00 0.00 H new ATOM 0 HB2 GLN A 92 6.963 -5.473 -15.936 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.596 -5.097 -15.422 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.939 -5.527 -13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.318 -5.929 -13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.358 -7.524 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.610 -8.975 -13.128 1.00 0.00 H new ATOM 1467 N GLN A 93 7.086 -2.997 -12.541 1.00 0.00 N ATOM 1468 CA GLN A 93 7.620 -2.564 -11.262 1.00 0.00 C ATOM 1469 C GLN A 93 6.979 -3.356 -10.129 1.00 0.00 C ATOM 1470 O GLN A 93 5.767 -3.583 -10.129 1.00 0.00 O ATOM 1471 CB GLN A 93 7.376 -1.067 -11.071 1.00 0.00 C ATOM 1472 CG GLN A 93 7.864 -0.533 -9.737 1.00 0.00 C ATOM 1473 CD GLN A 93 7.702 0.964 -9.622 1.00 0.00 C ATOM 1474 OE1 GLN A 93 7.774 1.689 -10.616 1.00 0.00 O ATOM 1475 NE2 GLN A 93 7.474 1.438 -8.411 1.00 0.00 N ATOM 0 H GLN A 93 6.093 -3.230 -12.522 1.00 0.00 H new ATOM 0 HA GLN A 93 8.694 -2.747 -11.248 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.873 -0.522 -11.874 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.308 -0.868 -11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.313 -1.018 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.914 -0.793 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.422 0.802 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.350 2.441 -8.271 1.00 0.00 H new ATOM 1484 N THR A 94 7.793 -3.795 -9.182 1.00 0.00 N ATOM 1485 CA THR A 94 7.300 -4.558 -8.049 1.00 0.00 C ATOM 1486 C THR A 94 7.400 -3.750 -6.757 1.00 0.00 C ATOM 1487 O THR A 94 8.452 -3.208 -6.424 1.00 0.00 O ATOM 1488 CB THR A 94 8.071 -5.884 -7.899 1.00 0.00 C ATOM 1489 OG1 THR A 94 7.839 -6.712 -9.050 1.00 0.00 O ATOM 1490 CG2 THR A 94 7.645 -6.632 -6.643 1.00 0.00 C ATOM 0 H THR A 94 8.800 -3.635 -9.177 1.00 0.00 H new ATOM 0 HA THR A 94 6.250 -4.783 -8.238 1.00 0.00 H new ATOM 0 HB THR A 94 9.132 -5.650 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.332 -7.553 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.207 -7.563 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.843 -6.015 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.579 -6.855 -6.696 1.00 0.00 H new ATOM 1498 N VAL A 95 6.286 -3.661 -6.048 1.00 0.00 N ATOM 1499 CA VAL A 95 6.231 -2.965 -4.774 1.00 0.00 C ATOM 1500 C VAL A 95 5.674 -3.895 -3.705 1.00 0.00 C ATOM 1501 O VAL A 95 4.556 -4.394 -3.836 1.00 0.00 O ATOM 1502 CB VAL A 95 5.337 -1.707 -4.853 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.350 -0.951 -3.535 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.770 -0.800 -5.994 1.00 0.00 C ATOM 0 H VAL A 95 5.397 -4.068 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 95 7.245 -2.656 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 95 4.316 -2.035 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.714 -0.070 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.976 -1.598 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.369 -0.643 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.124 0.077 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.802 -0.485 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.695 -1.341 -6.937 1.00 0.00 H new ATOM 1514 N ASP A 96 6.452 -4.148 -2.663 1.00 0.00 N ATOM 1515 CA ASP A 96 5.999 -4.998 -1.571 1.00 0.00 C ATOM 1516 C ASP A 96 5.585 -4.141 -0.388 1.00 0.00 C ATOM 1517 O ASP A 96 6.415 -3.462 0.219 1.00 0.00 O ATOM 1518 CB ASP A 96 7.096 -5.975 -1.148 1.00 0.00 C ATOM 1519 CG ASP A 96 6.591 -7.006 -0.156 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.067 -8.047 -0.599 1.00 0.00 O ATOM 1521 OD2 ASP A 96 6.731 -6.791 1.061 1.00 0.00 O ATOM 0 H ASP A 96 7.396 -3.779 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 96 5.142 -5.575 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.488 -6.482 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.923 -5.421 -0.705 1.00 0.00 H new ATOM 1526 N VAL A 97 4.299 -4.150 -0.081 1.00 0.00 N ATOM 1527 CA VAL A 97 3.772 -3.317 0.985 1.00 0.00 C ATOM 1528 C VAL A 97 3.627 -4.118 2.275 1.00 0.00 C ATOM 1529 O VAL A 97 2.826 -5.052 2.356 1.00 0.00 O ATOM 1530 CB VAL A 97 2.409 -2.699 0.606 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.974 -1.677 1.649 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.467 -2.063 -0.776 1.00 0.00 C ATOM 0 H VAL A 97 3.602 -4.724 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 97 4.485 -2.507 1.140 1.00 0.00 H new ATOM 0 HB VAL A 97 1.670 -3.500 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.011 -1.253 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.882 -2.164 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.717 -0.882 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.495 -1.635 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.222 -1.277 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.725 -2.821 -1.515 1.00 0.00 H new ATOM 1542 N TYR A 98 4.407 -3.744 3.277 1.00 0.00 N ATOM 1543 CA TYR A 98 4.377 -4.412 4.567 1.00 0.00 C ATOM 1544 C TYR A 98 3.317 -3.800 5.470 1.00 0.00 C ATOM 1545 O TYR A 98 3.378 -2.614 5.800 1.00 0.00 O ATOM 1546 CB TYR A 98 5.736 -4.307 5.268 1.00 0.00 C ATOM 1547 CG TYR A 98 6.862 -5.065 4.598 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.625 -4.481 3.594 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.172 -6.363 4.987 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.664 -5.168 2.997 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.207 -7.057 4.393 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.951 -6.456 3.398 1.00 0.00 C ATOM 1553 OH TYR A 98 9.990 -7.141 2.807 1.00 0.00 O ATOM 0 H TYR A 98 5.074 -2.974 3.219 1.00 0.00 H new ATOM 0 HA TYR A 98 4.140 -5.460 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.014 -3.255 5.332 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.630 -4.672 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.402 -3.473 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.594 -6.836 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.249 -4.699 2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.433 -8.066 4.705 1.00 0.00 H new ATOM 0 HH TYR A 98 10.060 -8.034 3.203 1.00 0.00 H new ATOM 1563 N PHE A 99 2.352 -4.611 5.863 1.00 0.00 N ATOM 1564 CA PHE A 99 1.388 -4.222 6.876 1.00 0.00 C ATOM 1565 C PHE A 99 1.677 -5.020 8.136 1.00 0.00 C ATOM 1566 O PHE A 99 1.568 -6.240 8.129 1.00 0.00 O ATOM 1567 CB PHE A 99 -0.039 -4.496 6.402 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.424 -3.776 5.139 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.622 -2.406 5.143 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.603 -4.472 3.951 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.990 -1.743 3.989 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.975 -3.812 2.795 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.168 -2.446 2.815 1.00 0.00 C ATOM 0 H PHE A 99 2.215 -5.551 5.492 1.00 0.00 H new ATOM 0 HA PHE A 99 1.475 -3.153 7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.157 -5.568 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.732 -4.212 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.487 -1.850 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.450 -5.541 3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.139 -0.673 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.114 -4.365 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.458 -1.928 1.913 1.00 0.00 H new ATOM 1583 N GLN A 100 2.067 -4.347 9.203 1.00 0.00 N ATOM 1584 CA GLN A 100 2.550 -5.045 10.386 1.00 0.00 C ATOM 1585 C GLN A 100 1.807 -4.626 11.649 1.00 0.00 C ATOM 1586 O GLN A 100 1.355 -3.487 11.774 1.00 0.00 O ATOM 1587 CB GLN A 100 4.049 -4.792 10.560 1.00 0.00 C ATOM 1588 CG GLN A 100 4.408 -3.317 10.637 1.00 0.00 C ATOM 1589 CD GLN A 100 5.898 -3.078 10.750 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.445 -2.992 11.848 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.569 -2.966 9.613 1.00 0.00 N ATOM 0 H GLN A 100 2.060 -3.330 9.278 1.00 0.00 H new ATOM 0 HA GLN A 100 2.364 -6.109 10.236 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.391 -5.289 11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.586 -5.246 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.030 -2.810 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.907 -2.871 11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.079 -3.043 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.576 -2.803 9.629 1.00 0.00 H new ATOM 1600 N ASP A 101 1.687 -5.567 12.573 1.00 0.00 N ATOM 1601 CA ASP A 101 1.140 -5.301 13.896 1.00 0.00 C ATOM 1602 C ASP A 101 2.259 -4.856 14.823 1.00 0.00 C ATOM 1603 O ASP A 101 3.439 -5.080 14.539 1.00 0.00 O ATOM 1604 CB ASP A 101 0.508 -6.558 14.515 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.604 -7.178 13.696 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.691 -6.578 13.612 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -0.393 -8.292 13.163 1.00 0.00 O ATOM 0 H ASP A 101 1.966 -6.537 12.427 1.00 0.00 H new ATOM 0 HA ASP A 101 0.377 -4.531 13.783 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.289 -7.304 14.665 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.116 -6.303 15.500 1.00 0.00 H new ATOM 1612 N SER A 102 1.892 -4.265 15.949 1.00 0.00 N ATOM 1613 CA SER A 102 2.851 -3.977 17.004 1.00 0.00 C ATOM 1614 C SER A 102 3.242 -5.276 17.710 1.00 0.00 C ATOM 1615 O SER A 102 4.127 -5.305 18.567 1.00 0.00 O ATOM 1616 CB SER A 102 2.253 -2.976 17.993 1.00 0.00 C ATOM 1617 OG SER A 102 0.934 -3.352 18.363 1.00 0.00 O ATOM 0 H SER A 102 0.936 -3.975 16.156 1.00 0.00 H new ATOM 0 HA SER A 102 3.748 -3.534 16.572 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.881 -2.918 18.882 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.240 -1.982 17.546 1.00 0.00 H new ATOM 0 HG SER A 102 0.692 -2.912 19.205 1.00 0.00 H new ATOM 1623 N PHE A 103 2.567 -6.351 17.314 1.00 0.00 N ATOM 1624 CA PHE A 103 2.799 -7.681 17.856 1.00 0.00 C ATOM 1625 C PHE A 103 4.030 -8.307 17.207 1.00 0.00 C ATOM 1626 O PHE A 103 4.659 -9.198 17.776 1.00 0.00 O ATOM 1627 CB PHE A 103 1.553 -8.543 17.594 1.00 0.00 C ATOM 1628 CG PHE A 103 1.578 -9.912 18.217 1.00 0.00 C ATOM 1629 CD1 PHE A 103 1.108 -10.108 19.505 1.00 0.00 C ATOM 1630 CD2 PHE A 103 2.053 -11.005 17.509 1.00 0.00 C ATOM 1631 CE1 PHE A 103 1.116 -11.366 20.077 1.00 0.00 C ATOM 1632 CE2 PHE A 103 2.062 -12.265 18.075 1.00 0.00 C ATOM 1633 CZ PHE A 103 1.593 -12.446 19.361 1.00 0.00 C ATOM 0 H PHE A 103 1.838 -6.321 16.602 1.00 0.00 H new ATOM 0 HA PHE A 103 2.980 -7.618 18.929 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.677 -8.009 17.964 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.428 -8.654 16.517 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.731 -9.268 20.069 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.421 -10.870 16.503 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.749 -11.504 21.083 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.435 -13.108 17.512 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.599 -13.430 19.806 1.00 0.00 H new ATOM 1643 N GLY A 104 4.380 -7.820 16.021 1.00 0.00 N ATOM 1644 CA GLY A 104 5.494 -8.386 15.282 1.00 0.00 C ATOM 1645 C GLY A 104 5.025 -9.159 14.068 1.00 0.00 C ATOM 1646 O GLY A 104 5.813 -9.508 13.190 1.00 0.00 O ATOM 0 H GLY A 104 3.911 -7.042 15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.166 -7.587 14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.066 -9.045 15.935 1.00 0.00 H new ATOM 1650 N GLN A 105 3.728 -9.415 14.026 1.00 0.00 N ATOM 1651 CA GLN A 105 3.106 -10.106 12.907 1.00 0.00 C ATOM 1652 C GLN A 105 2.962 -9.137 11.743 1.00 0.00 C ATOM 1653 O GLN A 105 2.740 -7.951 11.961 1.00 0.00 O ATOM 1654 CB GLN A 105 1.730 -10.619 13.333 1.00 0.00 C ATOM 1655 CG GLN A 105 1.103 -11.614 12.373 1.00 0.00 C ATOM 1656 CD GLN A 105 -0.309 -11.993 12.776 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -0.720 -13.142 12.612 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -1.078 -11.022 13.253 1.00 0.00 N ATOM 0 H GLN A 105 3.077 -9.150 14.765 1.00 0.00 H new ATOM 0 HA GLN A 105 3.723 -10.951 12.600 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.818 -11.086 14.314 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.058 -9.768 13.445 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.090 -11.188 11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.719 -12.512 12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.698 -10.083 13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.049 -11.215 13.499 1.00 0.00 H new ATOM 1667 N LEU A 106 3.119 -9.615 10.516 1.00 0.00 N ATOM 1668 CA LEU A 106 2.940 -8.749 9.362 1.00 0.00 C ATOM 1669 C LEU A 106 2.393 -9.513 8.163 1.00 0.00 C ATOM 1670 O LEU A 106 2.636 -10.710 7.999 1.00 0.00 O ATOM 1671 CB LEU A 106 4.256 -8.026 9.011 1.00 0.00 C ATOM 1672 CG LEU A 106 5.440 -8.905 8.595 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.401 -9.192 7.101 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.752 -8.235 8.978 1.00 0.00 C ATOM 0 H LEU A 106 3.366 -10.580 10.297 1.00 0.00 H new ATOM 0 HA LEU A 106 2.199 -7.995 9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.053 -7.325 8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.559 -7.435 9.875 1.00 0.00 H new ATOM 0 HG LEU A 106 5.367 -9.856 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.251 -9.818 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.475 -9.711 6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.449 -8.253 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.586 -8.869 8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.829 -7.271 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.782 -8.084 10.057 1.00 0.00 H new ATOM 1686 N GLN A 107 1.633 -8.806 7.345 1.00 0.00 N ATOM 1687 CA GLN A 107 1.153 -9.324 6.082 1.00 0.00 C ATOM 1688 C GLN A 107 1.663 -8.430 4.962 1.00 0.00 C ATOM 1689 O GLN A 107 1.248 -7.276 4.838 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.379 -9.387 6.071 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.970 -9.826 4.741 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.476 -9.991 4.800 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -3.227 -9.049 4.559 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.926 -11.196 5.115 1.00 0.00 N ATOM 0 H GLN A 107 1.332 -7.852 7.542 1.00 0.00 H new ATOM 0 HA GLN A 107 1.525 -10.338 5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.710 -10.075 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.775 -8.404 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.718 -9.092 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.516 -10.770 4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.269 -11.952 5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.930 -11.369 5.165 1.00 0.00 H new ATOM 1703 N GLN A 108 2.588 -8.948 4.173 1.00 0.00 N ATOM 1704 CA GLN A 108 3.178 -8.177 3.092 1.00 0.00 C ATOM 1705 C GLN A 108 2.480 -8.488 1.778 1.00 0.00 C ATOM 1706 O GLN A 108 2.329 -9.651 1.396 1.00 0.00 O ATOM 1707 CB GLN A 108 4.682 -8.453 2.988 1.00 0.00 C ATOM 1708 CG GLN A 108 5.034 -9.927 2.862 1.00 0.00 C ATOM 1709 CD GLN A 108 6.528 -10.170 2.777 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.026 -11.201 3.230 1.00 0.00 O ATOM 1711 NE2 GLN A 108 7.260 -9.236 2.189 1.00 0.00 N ATOM 0 H GLN A 108 2.947 -9.899 4.260 1.00 0.00 H new ATOM 0 HA GLN A 108 3.044 -7.117 3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.080 -7.920 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.177 -8.046 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.631 -10.466 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.553 -10.336 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.815 -8.394 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.269 -9.359 2.101 1.00 0.00 H new ATOM 1720 N LEU A 109 2.030 -7.449 1.104 1.00 0.00 N ATOM 1721 CA LEU A 109 1.363 -7.611 -0.173 1.00 0.00 C ATOM 1722 C LEU A 109 2.286 -7.186 -1.302 1.00 0.00 C ATOM 1723 O LEU A 109 2.644 -6.012 -1.420 1.00 0.00 O ATOM 1724 CB LEU A 109 0.052 -6.818 -0.208 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.990 -7.241 0.835 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -2.265 -6.427 0.684 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.294 -8.728 0.714 1.00 0.00 C ATOM 0 H LEU A 109 2.114 -6.483 1.419 1.00 0.00 H new ATOM 0 HA LEU A 109 1.117 -8.665 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.280 -5.762 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.388 -6.917 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.576 -7.050 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.990 -6.744 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.040 -5.369 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.681 -6.583 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.035 -9.010 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.684 -8.940 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.380 -9.300 0.875 1.00 0.00 H new ATOM 1739 N THR A 110 2.683 -8.148 -2.116 1.00 0.00 N ATOM 1740 CA THR A 110 3.609 -7.900 -3.201 1.00 0.00 C ATOM 1741 C THR A 110 2.852 -7.586 -4.485 1.00 0.00 C ATOM 1742 O THR A 110 2.140 -8.435 -5.018 1.00 0.00 O ATOM 1743 CB THR A 110 4.509 -9.129 -3.435 1.00 0.00 C ATOM 1744 OG1 THR A 110 4.905 -9.697 -2.179 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.746 -8.748 -4.233 1.00 0.00 C ATOM 0 H THR A 110 2.373 -9.117 -2.042 1.00 0.00 H new ATOM 0 HA THR A 110 4.228 -7.046 -2.926 1.00 0.00 H new ATOM 0 HB THR A 110 3.939 -9.865 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.397 -9.028 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.366 -9.631 -4.386 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.445 -8.344 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.314 -7.996 -3.686 1.00 0.00 H new ATOM 1753 N PHE A 111 2.989 -6.362 -4.968 1.00 0.00 N ATOM 1754 CA PHE A 111 2.351 -5.961 -6.211 1.00 0.00 C ATOM 1755 C PHE A 111 3.377 -5.856 -7.328 1.00 0.00 C ATOM 1756 O PHE A 111 4.306 -5.056 -7.251 1.00 0.00 O ATOM 1757 CB PHE A 111 1.647 -4.610 -6.055 1.00 0.00 C ATOM 1758 CG PHE A 111 0.544 -4.604 -5.037 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.732 -5.027 -5.374 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.782 -4.169 -3.743 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.748 -5.018 -4.440 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.231 -4.156 -2.805 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.498 -4.582 -3.154 1.00 0.00 C ATOM 0 H PHE A 111 3.537 -5.629 -4.518 1.00 0.00 H new ATOM 0 HA PHE A 111 1.613 -6.723 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.386 -3.858 -5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.237 -4.313 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.934 -5.368 -6.379 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.771 -3.836 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.738 -5.352 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.033 -3.813 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.292 -4.574 -2.422 1.00 0.00 H new ATOM 1773 N SER A 112 3.213 -6.662 -8.357 1.00 0.00 N ATOM 1774 CA SER A 112 4.028 -6.529 -9.549 1.00 0.00 C ATOM 1775 C SER A 112 3.175 -5.984 -10.681 1.00 0.00 C ATOM 1776 O SER A 112 2.310 -6.677 -11.214 1.00 0.00 O ATOM 1777 CB SER A 112 4.651 -7.871 -9.934 1.00 0.00 C ATOM 1778 OG SER A 112 5.571 -8.311 -8.944 1.00 0.00 O ATOM 0 H SER A 112 2.525 -7.414 -8.393 1.00 0.00 H new ATOM 0 HA SER A 112 4.843 -5.834 -9.349 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.866 -8.616 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.161 -7.777 -10.893 1.00 0.00 H new ATOM 0 HG SER A 112 6.376 -7.753 -8.975 1.00 0.00 H new ATOM 1784 N PHE A 113 3.414 -4.735 -11.033 1.00 0.00 N ATOM 1785 CA PHE A 113 2.613 -4.066 -12.041 1.00 0.00 C ATOM 1786 C PHE A 113 3.120 -4.396 -13.435 1.00 0.00 C ATOM 1787 O PHE A 113 4.251 -4.062 -13.792 1.00 0.00 O ATOM 1788 CB PHE A 113 2.617 -2.552 -11.810 1.00 0.00 C ATOM 1789 CG PHE A 113 1.986 -2.143 -10.511 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.618 -1.940 -10.426 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.758 -1.965 -9.374 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.033 -1.563 -9.233 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.177 -1.589 -8.177 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.812 -1.390 -8.107 1.00 0.00 C ATOM 0 H PHE A 113 4.158 -4.162 -10.635 1.00 0.00 H new ATOM 0 HA PHE A 113 1.587 -4.424 -11.958 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.645 -2.191 -11.835 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.089 -2.066 -12.630 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.002 -2.078 -11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.825 -2.122 -9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.034 -1.404 -9.181 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.789 -1.451 -7.298 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.355 -1.099 -7.173 1.00 0.00 H new ATOM 1804 N ASN A 114 2.285 -5.082 -14.198 1.00 0.00 N ATOM 1805 CA ASN A 114 2.601 -5.443 -15.572 1.00 0.00 C ATOM 1806 C ASN A 114 1.313 -5.704 -16.339 1.00 0.00 C ATOM 1807 O ASN A 114 0.320 -6.159 -15.765 1.00 0.00 O ATOM 1808 CB ASN A 114 3.512 -6.677 -15.621 1.00 0.00 C ATOM 1809 CG ASN A 114 2.825 -7.947 -15.151 1.00 0.00 C ATOM 1810 OD1 ASN A 114 2.253 -8.690 -15.947 1.00 0.00 O ATOM 1811 ND2 ASN A 114 2.876 -8.205 -13.854 1.00 0.00 N ATOM 0 H ASN A 114 1.370 -5.404 -13.884 1.00 0.00 H new ATOM 0 HA ASN A 114 3.136 -4.615 -16.037 1.00 0.00 H new ATOM 0 HB2 ASN A 114 3.865 -6.819 -16.642 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.391 -6.497 -15.002 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.431 -9.045 -13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 114 3.360 -7.564 -13.225 1.00 0.00 H new ATOM 1818 N ASN A 115 1.327 -5.407 -17.625 1.00 0.00 N ATOM 1819 CA ASN A 115 0.137 -5.555 -18.447 1.00 0.00 C ATOM 1820 C ASN A 115 0.018 -6.977 -18.976 1.00 0.00 C ATOM 1821 O ASN A 115 0.893 -7.452 -19.704 1.00 0.00 O ATOM 1822 CB ASN A 115 0.167 -4.567 -19.612 1.00 0.00 C ATOM 1823 CG ASN A 115 -1.044 -4.694 -20.514 1.00 0.00 C ATOM 1824 OD1 ASN A 115 -2.139 -5.038 -20.066 1.00 0.00 O ATOM 1825 ND2 ASN A 115 -0.853 -4.416 -21.791 1.00 0.00 N ATOM 0 H ASN A 115 2.147 -5.062 -18.124 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.732 -5.342 -17.824 1.00 0.00 H new ATOM 0 HB2 ASN A 115 0.219 -3.551 -19.221 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.071 -4.730 -20.199 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.629 -4.482 -22.449 1.00 0.00 H new ATOM 0 HD22 ASN A 115 0.071 -4.135 -22.119 1.00 0.00 H new ATOM 1832 N ASP A 116 -1.062 -7.653 -18.597 1.00 0.00 N ATOM 1833 CA ASP A 116 -1.327 -9.009 -19.068 1.00 0.00 C ATOM 1834 C ASP A 116 -1.432 -9.044 -20.580 1.00 0.00 C ATOM 1835 O ASP A 116 -2.333 -8.441 -21.167 1.00 0.00 O ATOM 1836 CB ASP A 116 -2.613 -9.568 -18.463 1.00 0.00 C ATOM 1837 CG ASP A 116 -2.443 -10.004 -17.029 1.00 0.00 C ATOM 1838 OD1 ASP A 116 -1.931 -11.121 -16.802 1.00 0.00 O ATOM 1839 OD2 ASP A 116 -2.846 -9.250 -16.126 1.00 0.00 O ATOM 0 H ASP A 116 -1.770 -7.283 -17.963 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.489 -9.629 -18.748 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.394 -8.810 -18.517 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.950 -10.416 -19.058 1.00 0.00 H new ATOM 1844 N SER A 117 -0.506 -9.755 -21.197 1.00 0.00 N ATOM 1845 CA SER A 117 -0.457 -9.870 -22.644 1.00 0.00 C ATOM 1846 C SER A 117 0.550 -10.934 -23.060 1.00 0.00 C ATOM 1847 O SER A 117 0.341 -11.660 -24.034 1.00 0.00 O ATOM 1848 CB SER A 117 -0.091 -8.520 -23.267 1.00 0.00 C ATOM 1849 OG SER A 117 1.053 -7.963 -22.637 1.00 0.00 O ATOM 0 H SER A 117 0.231 -10.267 -20.712 1.00 0.00 H new ATOM 0 HA SER A 117 -1.442 -10.168 -23.003 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.102 -8.647 -24.332 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.932 -7.833 -23.175 1.00 0.00 H new ATOM 0 HG SER A 117 0.834 -7.725 -21.712 1.00 0.00 H new ATOM 1855 N SER A 118 1.638 -11.032 -22.309 1.00 0.00 N ATOM 1856 CA SER A 118 2.706 -11.955 -22.639 1.00 0.00 C ATOM 1857 C SER A 118 2.661 -13.214 -21.778 1.00 0.00 C ATOM 1858 O SER A 118 3.090 -13.202 -20.623 1.00 0.00 O ATOM 1859 CB SER A 118 4.059 -11.270 -22.462 1.00 0.00 C ATOM 1860 OG SER A 118 4.096 -10.020 -23.131 1.00 0.00 O ATOM 0 H SER A 118 1.801 -10.481 -21.466 1.00 0.00 H new ATOM 0 HA SER A 118 2.569 -12.253 -23.678 1.00 0.00 H new ATOM 0 HB2 SER A 118 4.258 -11.123 -21.401 1.00 0.00 H new ATOM 0 HB3 SER A 118 4.849 -11.915 -22.848 1.00 0.00 H new ATOM 0 HG SER A 118 4.973 -9.604 -22.999 1.00 0.00 H new ATOM 1866 N LYS A 119 2.114 -14.285 -22.329 1.00 0.00 N ATOM 1867 CA LYS A 119 2.281 -15.602 -21.737 1.00 0.00 C ATOM 1868 C LYS A 119 3.604 -16.165 -22.241 1.00 0.00 C ATOM 1869 O LYS A 119 3.960 -15.930 -23.397 1.00 0.00 O ATOM 1870 CB LYS A 119 1.101 -16.515 -22.099 1.00 0.00 C ATOM 1871 CG LYS A 119 1.207 -17.924 -21.530 1.00 0.00 C ATOM 1872 CD LYS A 119 -0.077 -18.722 -21.732 1.00 0.00 C ATOM 1873 CE LYS A 119 -1.186 -18.246 -20.804 1.00 0.00 C ATOM 1874 NZ LYS A 119 -2.433 -19.044 -20.960 1.00 0.00 N ATOM 0 H LYS A 119 1.553 -14.269 -23.181 1.00 0.00 H new ATOM 0 HA LYS A 119 2.298 -15.537 -20.649 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.179 -16.058 -21.740 1.00 0.00 H new ATOM 0 HB3 LYS A 119 1.024 -16.578 -23.184 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.037 -18.446 -22.007 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.435 -17.869 -20.466 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.404 -18.630 -22.768 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.119 -19.779 -21.553 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.844 -18.308 -19.771 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.401 -17.197 -21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.159 -18.684 -20.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.776 -18.965 -21.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.236 -20.042 -20.742 1.00 0.00 H new ATOM 1888 N GLU A 120 4.333 -16.873 -21.377 1.00 0.00 N ATOM 1889 CA GLU A 120 5.705 -17.298 -21.682 1.00 0.00 C ATOM 1890 C GLU A 120 5.805 -17.925 -23.067 1.00 0.00 C ATOM 1891 O GLU A 120 6.527 -17.426 -23.934 1.00 0.00 O ATOM 1892 CB GLU A 120 6.226 -18.291 -20.642 1.00 0.00 C ATOM 1893 CG GLU A 120 5.942 -17.890 -19.208 1.00 0.00 C ATOM 1894 CD GLU A 120 4.665 -18.512 -18.688 1.00 0.00 C ATOM 1895 OE1 GLU A 120 3.573 -18.014 -19.024 1.00 0.00 O ATOM 1896 OE2 GLU A 120 4.750 -19.518 -17.954 1.00 0.00 O ATOM 0 H GLU A 120 3.998 -17.166 -20.459 1.00 0.00 H new ATOM 0 HA GLU A 120 6.321 -16.399 -21.657 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.778 -19.267 -20.831 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.303 -18.404 -20.770 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.776 -18.192 -18.575 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.869 -16.804 -19.143 1.00 0.00 H new ATOM 1903 N GLU A 121 5.075 -19.009 -23.274 1.00 0.00 N ATOM 1904 CA GLU A 121 5.035 -19.663 -24.567 1.00 0.00 C ATOM 1905 C GLU A 121 3.694 -20.355 -24.779 1.00 0.00 C ATOM 1906 O GLU A 121 3.533 -21.547 -24.511 1.00 0.00 O ATOM 1907 CB GLU A 121 6.202 -20.646 -24.720 1.00 0.00 C ATOM 1908 CG GLU A 121 6.380 -21.590 -23.542 1.00 0.00 C ATOM 1909 CD GLU A 121 7.619 -22.445 -23.676 1.00 0.00 C ATOM 1910 OE1 GLU A 121 8.731 -21.917 -23.471 1.00 0.00 O ATOM 1911 OE2 GLU A 121 7.493 -23.650 -23.989 1.00 0.00 O ATOM 0 H GLU A 121 4.501 -19.454 -22.558 1.00 0.00 H new ATOM 0 HA GLU A 121 5.143 -18.901 -25.339 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.049 -21.236 -25.624 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.123 -20.080 -24.860 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.439 -21.011 -22.620 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.504 -22.233 -23.459 1.00 0.00 H new ATOM 1918 N GLU A 122 2.721 -19.578 -25.228 1.00 0.00 N ATOM 1919 CA GLU A 122 1.400 -20.098 -25.529 1.00 0.00 C ATOM 1920 C GLU A 122 1.491 -21.085 -26.688 1.00 0.00 C ATOM 1921 O GLU A 122 1.753 -20.697 -27.830 1.00 0.00 O ATOM 1922 CB GLU A 122 0.452 -18.941 -25.861 1.00 0.00 C ATOM 1923 CG GLU A 122 -0.968 -19.371 -26.183 1.00 0.00 C ATOM 1924 CD GLU A 122 -1.875 -18.192 -26.457 1.00 0.00 C ATOM 1925 OE1 GLU A 122 -1.587 -17.419 -27.395 1.00 0.00 O ATOM 1926 OE2 GLU A 122 -2.872 -18.019 -25.726 1.00 0.00 O ATOM 0 H GLU A 122 2.825 -18.577 -25.393 1.00 0.00 H new ATOM 0 HA GLU A 122 1.004 -20.624 -24.661 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.428 -18.252 -25.017 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.854 -18.389 -26.711 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.958 -20.029 -27.052 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.368 -19.949 -25.350 1.00 0.00 H new ATOM 1933 N LEU A 123 1.301 -22.362 -26.380 1.00 0.00 N ATOM 1934 CA LEU A 123 1.463 -23.419 -27.364 1.00 0.00 C ATOM 1935 C LEU A 123 0.265 -23.494 -28.304 1.00 0.00 C ATOM 1936 O LEU A 123 -0.575 -24.389 -28.196 1.00 0.00 O ATOM 1937 CB LEU A 123 1.692 -24.765 -26.674 1.00 0.00 C ATOM 1938 CG LEU A 123 2.965 -24.843 -25.825 1.00 0.00 C ATOM 1939 CD1 LEU A 123 3.080 -26.204 -25.160 1.00 0.00 C ATOM 1940 CD2 LEU A 123 4.192 -24.564 -26.681 1.00 0.00 C ATOM 0 H LEU A 123 1.033 -22.689 -25.452 1.00 0.00 H new ATOM 0 HA LEU A 123 2.341 -23.182 -27.965 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.834 -24.982 -26.038 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.731 -25.545 -27.434 1.00 0.00 H new ATOM 0 HG LEU A 123 2.906 -24.083 -25.046 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.990 -26.241 -24.561 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.216 -26.369 -24.517 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.117 -26.980 -25.924 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.088 -24.623 -26.063 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.253 -25.302 -27.481 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.115 -23.566 -27.113 1.00 0.00 H new ATOM 1952 N GLU A 124 0.183 -22.523 -29.197 1.00 0.00 N ATOM 1953 CA GLU A 124 -0.844 -22.497 -30.224 1.00 0.00 C ATOM 1954 C GLU A 124 -0.205 -22.165 -31.567 1.00 0.00 C ATOM 1955 O GLU A 124 -0.883 -21.925 -32.565 1.00 0.00 O ATOM 1956 CB GLU A 124 -1.942 -21.490 -29.854 1.00 0.00 C ATOM 1957 CG GLU A 124 -1.459 -20.053 -29.712 1.00 0.00 C ATOM 1958 CD GLU A 124 -1.597 -19.263 -30.994 1.00 0.00 C ATOM 1959 OE1 GLU A 124 -2.742 -19.052 -31.439 1.00 0.00 O ATOM 1960 OE2 GLU A 124 -0.568 -18.857 -31.565 1.00 0.00 O ATOM 0 H GLU A 124 0.825 -21.731 -29.231 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.315 -23.477 -30.300 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.721 -21.525 -30.616 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.401 -21.800 -28.915 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.026 -19.559 -28.923 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.414 -20.054 -29.401 1.00 0.00 H new ATOM 1967 N HIS A 125 1.124 -22.173 -31.573 1.00 0.00 N ATOM 1968 CA HIS A 125 1.903 -21.953 -32.786 1.00 0.00 C ATOM 1969 C HIS A 125 2.366 -23.307 -33.301 1.00 0.00 C ATOM 1970 O HIS A 125 3.350 -23.410 -34.032 1.00 0.00 O ATOM 1971 CB HIS A 125 3.130 -21.064 -32.499 1.00 0.00 C ATOM 1972 CG HIS A 125 2.816 -19.740 -31.861 1.00 0.00 C ATOM 1973 ND1 HIS A 125 3.140 -18.527 -32.430 1.00 0.00 N ATOM 1974 CD2 HIS A 125 2.225 -19.446 -30.680 1.00 0.00 C ATOM 1975 CE1 HIS A 125 2.759 -17.550 -31.633 1.00 0.00 C ATOM 1976 NE2 HIS A 125 2.199 -18.080 -30.562 1.00 0.00 N ATOM 0 H HIS A 125 1.690 -22.332 -30.739 1.00 0.00 H new ATOM 0 HA HIS A 125 1.285 -21.446 -33.527 1.00 0.00 H new ATOM 0 HB2 HIS A 125 3.813 -21.611 -31.849 1.00 0.00 H new ATOM 0 HB3 HIS A 125 3.657 -20.884 -33.436 1.00 0.00 H new ATOM 0 HD2 HIS A 125 1.844 -20.157 -29.962 1.00 0.00 H new ATOM 0 HE1 HIS A 125 2.884 -16.494 -31.824 1.00 0.00 H new ATOM 0 HE2 HIS A 125 1.811 -17.559 -29.776 1.00 0.00 H new ATOM 1985 N HIS A 126 1.615 -24.335 -32.924 1.00 0.00 N ATOM 1986 CA HIS A 126 2.011 -25.728 -33.119 1.00 0.00 C ATOM 1987 C HIS A 126 2.161 -26.081 -34.600 1.00 0.00 C ATOM 1988 O HIS A 126 3.076 -26.812 -34.978 1.00 0.00 O ATOM 1989 CB HIS A 126 0.982 -26.644 -32.451 1.00 0.00 C ATOM 1990 CG HIS A 126 1.446 -28.055 -32.259 1.00 0.00 C ATOM 1991 ND1 HIS A 126 2.168 -28.467 -31.159 1.00 0.00 N ATOM 1992 CD2 HIS A 126 1.273 -29.158 -33.022 1.00 0.00 C ATOM 1993 CE1 HIS A 126 2.418 -29.756 -31.256 1.00 0.00 C ATOM 1994 NE2 HIS A 126 1.885 -30.200 -32.376 1.00 0.00 N ATOM 0 H HIS A 126 0.708 -24.227 -32.471 1.00 0.00 H new ATOM 0 HA HIS A 126 2.988 -25.872 -32.658 1.00 0.00 H new ATOM 0 HB2 HIS A 126 0.717 -26.226 -31.480 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.074 -26.651 -33.054 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.750 -29.208 -33.965 1.00 0.00 H new ATOM 0 HE1 HIS A 126 2.967 -30.349 -30.539 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.922 -31.164 -32.708 1.00 0.00 H new ATOM 2003 N HIS A 127 1.268 -25.557 -35.436 1.00 0.00 N ATOM 2004 CA HIS A 127 1.326 -25.814 -36.877 1.00 0.00 C ATOM 2005 C HIS A 127 2.481 -25.052 -37.519 1.00 0.00 C ATOM 2006 O HIS A 127 2.813 -25.275 -38.682 1.00 0.00 O ATOM 2007 CB HIS A 127 0.004 -25.448 -37.553 1.00 0.00 C ATOM 2008 CG HIS A 127 -1.121 -26.364 -37.194 1.00 0.00 C ATOM 2009 ND1 HIS A 127 -2.332 -25.920 -36.714 1.00 0.00 N ATOM 2010 CD2 HIS A 127 -1.211 -27.713 -37.249 1.00 0.00 C ATOM 2011 CE1 HIS A 127 -3.119 -26.956 -36.488 1.00 0.00 C ATOM 2012 NE2 HIS A 127 -2.461 -28.057 -36.805 1.00 0.00 N ATOM 0 H HIS A 127 0.498 -24.954 -35.145 1.00 0.00 H new ATOM 0 HA HIS A 127 1.497 -26.881 -37.018 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.266 -24.428 -37.278 1.00 0.00 H new ATOM 0 HB3 HIS A 127 0.142 -25.461 -38.634 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -0.440 -28.393 -37.581 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -4.129 -26.911 -36.108 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -2.824 -29.007 -36.731 1.00 0.00 H new ATOM 2021 N HIS A 128 3.075 -24.155 -36.740 1.00 0.00 N ATOM 2022 CA HIS A 128 4.269 -23.418 -37.135 1.00 0.00 C ATOM 2023 C HIS A 128 4.033 -22.475 -38.307 1.00 0.00 C ATOM 2024 O HIS A 128 4.067 -22.868 -39.473 1.00 0.00 O ATOM 2025 CB HIS A 128 5.437 -24.367 -37.432 1.00 0.00 C ATOM 2026 CG HIS A 128 6.083 -24.913 -36.195 1.00 0.00 C ATOM 2027 ND1 HIS A 128 6.685 -26.149 -36.139 1.00 0.00 N ATOM 2028 CD2 HIS A 128 6.240 -24.367 -34.968 1.00 0.00 C ATOM 2029 CE1 HIS A 128 7.176 -26.343 -34.932 1.00 0.00 C ATOM 2030 NE2 HIS A 128 6.925 -25.275 -34.198 1.00 0.00 N ATOM 0 H HIS A 128 2.738 -23.917 -35.807 1.00 0.00 H new ATOM 0 HA HIS A 128 4.532 -22.795 -36.280 1.00 0.00 H new ATOM 0 HB2 HIS A 128 5.077 -25.195 -38.042 1.00 0.00 H new ATOM 0 HB3 HIS A 128 6.186 -23.838 -38.022 1.00 0.00 H new ATOM 0 HD2 HIS A 128 5.891 -23.395 -34.651 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.697 -27.228 -34.599 1.00 0.00 H new ATOM 0 HE2 HIS A 128 7.194 -25.146 -33.223 1.00 0.00 H new ATOM 2039 N HIS A 129 3.756 -21.233 -37.965 1.00 0.00 N ATOM 2040 CA HIS A 129 3.778 -20.133 -38.916 1.00 0.00 C ATOM 2041 C HIS A 129 4.773 -19.117 -38.390 1.00 0.00 C ATOM 2042 O HIS A 129 5.702 -18.708 -39.082 1.00 0.00 O ATOM 2043 CB HIS A 129 2.384 -19.507 -39.066 1.00 0.00 C ATOM 2044 CG HIS A 129 2.348 -18.266 -39.910 1.00 0.00 C ATOM 2045 ND1 HIS A 129 2.274 -16.995 -39.375 1.00 0.00 N ATOM 2046 CD2 HIS A 129 2.355 -18.104 -41.254 1.00 0.00 C ATOM 2047 CE1 HIS A 129 2.238 -16.109 -40.353 1.00 0.00 C ATOM 2048 NE2 HIS A 129 2.285 -16.757 -41.502 1.00 0.00 N ATOM 0 H HIS A 129 3.508 -20.954 -37.016 1.00 0.00 H new ATOM 0 HA HIS A 129 4.070 -20.485 -39.905 1.00 0.00 H new ATOM 0 HB2 HIS A 129 1.712 -20.247 -39.501 1.00 0.00 H new ATOM 0 HB3 HIS A 129 1.998 -19.269 -38.075 1.00 0.00 H new ATOM 0 HD2 HIS A 129 2.406 -18.889 -41.993 1.00 0.00 H new ATOM 0 HE1 HIS A 129 2.180 -15.037 -40.233 1.00 0.00 H new ATOM 0 HE2 HIS A 129 2.271 -16.325 -42.426 1.00 0.00 H new ATOM 2057 N HIS A 130 4.547 -18.732 -37.146 1.00 0.00 N ATOM 2058 CA HIS A 130 5.491 -17.958 -36.364 1.00 0.00 C ATOM 2059 C HIS A 130 4.957 -17.842 -34.948 1.00 0.00 C ATOM 2060 O HIS A 130 5.282 -18.712 -34.122 1.00 0.00 O ATOM 2061 CB HIS A 130 5.736 -16.566 -36.954 1.00 0.00 C ATOM 2062 CG HIS A 130 6.816 -15.815 -36.238 1.00 0.00 C ATOM 2063 ND1 HIS A 130 7.985 -16.410 -35.812 1.00 0.00 N ATOM 2064 CD2 HIS A 130 6.900 -14.518 -35.861 1.00 0.00 C ATOM 2065 CE1 HIS A 130 8.739 -15.513 -35.213 1.00 0.00 C ATOM 2066 NE2 HIS A 130 8.107 -14.356 -35.226 1.00 0.00 N ATOM 2067 OXT HIS A 130 4.158 -16.925 -34.688 1.00 0.00 O ATOM 0 H HIS A 130 3.687 -18.953 -36.644 1.00 0.00 H new ATOM 0 HA HIS A 130 6.452 -18.473 -36.373 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.004 -16.664 -38.006 1.00 0.00 H new ATOM 0 HB3 HIS A 130 4.811 -15.991 -36.913 1.00 0.00 H new ATOM 0 HD2 HIS A 130 6.156 -13.753 -36.028 1.00 0.00 H new ATOM 0 HE1 HIS A 130 9.713 -15.694 -34.783 1.00 0.00 H new ATOM 0 HE2 HIS A 130 8.457 -13.484 -34.830 1.00 0.00 H new TER 2076 HIS A 130