USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=31 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 114 ASN : amide:sc= 0.0425 K(o=0.092,f=-2.4!) USER MOD Set 1.2: A 115 ASN : amide:sc= 0.0496 K(o=0.092,f=-3.7!) USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 0.803 USER MOD Set 2.2: A 112 SER OG : rot 87:sc= 0.916 USER MOD Set 3.1: A 53 GLN : amide:sc= 0 X(o=-2.6,f=-2.4) USER MOD Set 3.2: A 85 TYR OH : rot -130:sc= -1.47 USER MOD Set 3.3: A 93 GLN : amide:sc= -1.11 X(o=-2.6,f=-2.4) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -167:sc= 2.37 (180deg=1.02) USER MOD Set 4.2: A 118 SER OG : rot 39:sc= 1.37 USER MOD Set 5.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 2 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.848 (180deg=0.38) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 37:sc= 1.23 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 150:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= -0.0311 (180deg=-0.0311) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 173:sc= 0.809 USER MOD Single : A 35 GLN : amide:sc= 0.508 K(o=0.51,f=-3.6!) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 11:sc= 0.486 USER MOD Single : A 51 TYR OH : rot -159:sc= -2.09! 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 -149:sc= -0.149 (180deg=-1.89!) USER MOD Single : A 63 SER OG : rot 170:sc= 0.489 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 74 TYR OH : rot 30:sc= -1.37 USER MOD Single : A 80 THR OG1 : rot 44:sc= 0.0453 USER MOD Single : A 84 TYR OH : rot 56:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -95:sc= 0.00873 USER MOD Single : A 89 SER OG : rot 94:sc= -0.144 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0828 K(o=-0.083,f=-1.4!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -29:sc= 0.0398 USER MOD Single : A 105 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.5!) USER MOD Single : A 107 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.44) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 110 THR OG1 : rot -76:sc= 1.26 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= 0.00384 X(o=0.0038,f=-0.28) USER MOD Single : A 126 HIS : no HD1:sc= -0.073 X(o=-0.073,f=-0.21) USER MOD Single : A 127 HIS : no HD1:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 128 HIS : no HD1:sc=-0.00823 X(o=-0.0082,f=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.511 -20.558 8.571 1.00 0.00 N ATOM 2 CA MET A 1 -16.190 -20.406 10.010 1.00 0.00 C ATOM 3 C MET A 1 -17.325 -20.934 10.886 1.00 0.00 C ATOM 4 O MET A 1 -17.246 -20.873 12.114 1.00 0.00 O ATOM 5 CB MET A 1 -15.913 -18.935 10.352 1.00 0.00 C ATOM 6 CG MET A 1 -17.126 -18.021 10.230 1.00 0.00 C ATOM 7 SD MET A 1 -17.694 -17.826 8.530 1.00 0.00 S ATOM 8 CE MET A 1 -19.091 -16.730 8.765 1.00 0.00 C ATOM 0 H1 MET A 1 -15.649 -20.419 8.006 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.888 -21.512 8.398 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.222 -19.850 8.297 1.00 0.00 H new ATOM 0 HA MET A 1 -15.294 -20.993 10.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.531 -18.877 11.371 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.126 -18.564 9.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.939 -18.423 10.835 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.878 -17.041 10.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.551 -16.515 7.800 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.822 -17.207 9.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.751 -15.800 9.221 1.00 0.00 H new ATOM 20 N ASN A 2 -18.381 -21.449 10.259 1.00 0.00 N ATOM 21 CA ASN A 2 -19.517 -21.987 11.003 1.00 0.00 C ATOM 22 C ASN A 2 -19.249 -23.434 11.390 1.00 0.00 C ATOM 23 O ASN A 2 -19.482 -23.838 12.531 1.00 0.00 O ATOM 24 CB ASN A 2 -20.801 -21.886 10.177 1.00 0.00 C ATOM 25 CG ASN A 2 -21.155 -20.454 9.825 1.00 0.00 C ATOM 26 OD1 ASN A 2 -20.834 -19.519 10.558 1.00 0.00 O ATOM 27 ND2 ASN A 2 -21.828 -20.273 8.701 1.00 0.00 N ATOM 0 H ASN A 2 -18.473 -21.505 9.245 1.00 0.00 H new ATOM 0 HA ASN A 2 -19.648 -21.397 11.910 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -20.686 -22.464 9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -21.624 -22.334 10.734 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -22.099 -19.332 8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -22.076 -21.074 8.120 1.00 0.00 H new ATOM 34 N ASP A 3 -18.766 -24.210 10.430 1.00 0.00 N ATOM 35 CA ASP A 3 -18.313 -25.567 10.697 1.00 0.00 C ATOM 36 C ASP A 3 -16.865 -25.525 11.146 1.00 0.00 C ATOM 37 O ASP A 3 -16.017 -24.972 10.442 1.00 0.00 O ATOM 38 CB ASP A 3 -18.443 -26.455 9.453 1.00 0.00 C ATOM 39 CG ASP A 3 -19.879 -26.687 9.032 1.00 0.00 C ATOM 40 OD1 ASP A 3 -20.526 -27.600 9.582 1.00 0.00 O ATOM 41 OD2 ASP A 3 -20.363 -25.967 8.131 1.00 0.00 O ATOM 0 H ASP A 3 -18.678 -23.921 9.456 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.939 -25.994 11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.899 -25.995 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.969 -27.417 9.650 1.00 0.00 H new ATOM 46 N ASP A 4 -16.595 -26.104 12.313 1.00 0.00 N ATOM 47 CA ASP A 4 -15.264 -26.076 12.925 1.00 0.00 C ATOM 48 C ASP A 4 -14.942 -24.669 13.410 1.00 0.00 C ATOM 49 O ASP A 4 -14.519 -23.804 12.639 1.00 0.00 O ATOM 50 CB ASP A 4 -14.183 -26.575 11.957 1.00 0.00 C ATOM 51 CG ASP A 4 -12.818 -26.677 12.605 1.00 0.00 C ATOM 52 OD1 ASP A 4 -12.614 -27.592 13.430 1.00 0.00 O ATOM 53 OD2 ASP A 4 -11.933 -25.865 12.280 1.00 0.00 O ATOM 0 H ASP A 4 -17.291 -26.607 12.863 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.273 -26.754 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.471 -27.553 11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.126 -25.899 11.104 1.00 0.00 H new ATOM 58 N VAL A 5 -15.172 -24.440 14.693 1.00 0.00 N ATOM 59 CA VAL A 5 -15.029 -23.115 15.275 1.00 0.00 C ATOM 60 C VAL A 5 -13.568 -22.766 15.537 1.00 0.00 C ATOM 61 O VAL A 5 -12.680 -23.621 15.435 1.00 0.00 O ATOM 62 CB VAL A 5 -15.834 -22.991 16.587 1.00 0.00 C ATOM 63 CG1 VAL A 5 -17.323 -23.140 16.317 1.00 0.00 C ATOM 64 CG2 VAL A 5 -15.368 -24.024 17.605 1.00 0.00 C ATOM 0 H VAL A 5 -15.461 -25.160 15.355 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.426 -22.409 14.546 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.658 -21.999 17.003 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -17.873 -23.050 17.253 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -17.648 -22.360 15.629 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -17.517 -24.117 15.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -15.948 -23.919 18.522 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.510 -25.025 17.198 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.312 -23.868 17.824 1.00 0.00 H new ATOM 74 N ASP A 6 -13.333 -21.503 15.872 1.00 0.00 N ATOM 75 CA ASP A 6 -11.989 -21.006 16.146 1.00 0.00 C ATOM 76 C ASP A 6 -11.388 -21.707 17.360 1.00 0.00 C ATOM 77 O ASP A 6 -12.089 -22.051 18.311 1.00 0.00 O ATOM 78 CB ASP A 6 -12.005 -19.485 16.366 1.00 0.00 C ATOM 79 CG ASP A 6 -12.780 -19.074 17.602 1.00 0.00 C ATOM 80 OD1 ASP A 6 -14.018 -19.227 17.617 1.00 0.00 O ATOM 81 OD2 ASP A 6 -12.153 -18.592 18.570 1.00 0.00 O ATOM 0 H ASP A 6 -14.064 -20.797 15.961 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.368 -21.225 15.278 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.980 -19.125 16.450 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.442 -19.002 15.492 1.00 0.00 H new ATOM 86 N ILE A 7 -10.086 -21.938 17.307 1.00 0.00 N ATOM 87 CA ILE A 7 -9.388 -22.642 18.374 1.00 0.00 C ATOM 88 C ILE A 7 -7.927 -22.189 18.474 1.00 0.00 C ATOM 89 O ILE A 7 -7.252 -22.439 19.474 1.00 0.00 O ATOM 90 CB ILE A 7 -9.440 -24.174 18.150 1.00 0.00 C ATOM 91 CG1 ILE A 7 -8.765 -24.917 19.309 1.00 0.00 C ATOM 92 CG2 ILE A 7 -8.792 -24.541 16.823 1.00 0.00 C ATOM 93 CD1 ILE A 7 -8.726 -26.417 19.130 1.00 0.00 C ATOM 0 H ILE A 7 -9.488 -21.647 16.534 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.895 -22.400 19.308 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.486 -24.480 18.117 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -7.746 -24.547 19.421 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.292 -24.684 20.234 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.838 -25.621 16.682 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.323 -24.046 16.010 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.751 -24.219 16.825 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.234 -26.873 19.989 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.743 -26.800 19.048 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.173 -26.661 18.223 1.00 0.00 H new ATOM 105 N GLN A 8 -7.453 -21.485 17.453 1.00 0.00 N ATOM 106 CA GLN A 8 -6.043 -21.109 17.366 1.00 0.00 C ATOM 107 C GLN A 8 -5.671 -20.005 18.361 1.00 0.00 C ATOM 108 O GLN A 8 -4.523 -19.564 18.400 1.00 0.00 O ATOM 109 CB GLN A 8 -5.701 -20.707 15.931 1.00 0.00 C ATOM 110 CG GLN A 8 -5.804 -21.877 14.962 1.00 0.00 C ATOM 111 CD GLN A 8 -5.660 -21.476 13.505 1.00 0.00 C ATOM 112 OE1 GLN A 8 -4.972 -20.509 13.168 1.00 0.00 O ATOM 113 NE2 GLN A 8 -6.312 -22.224 12.631 1.00 0.00 N ATOM 0 H GLN A 8 -8.023 -21.162 16.672 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.447 -21.979 17.641 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.373 -19.912 15.609 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.690 -20.301 15.901 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.034 -22.609 15.206 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.767 -22.369 15.101 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.870 -23.015 12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.257 -22.010 11.635 1.00 0.00 H new ATOM 122 N GLN A 9 -6.656 -19.563 19.153 1.00 0.00 N ATOM 123 CA GLN A 9 -6.427 -18.665 20.294 1.00 0.00 C ATOM 124 C GLN A 9 -5.920 -17.287 19.874 1.00 0.00 C ATOM 125 O GLN A 9 -5.559 -16.463 20.720 1.00 0.00 O ATOM 126 CB GLN A 9 -5.441 -19.301 21.273 1.00 0.00 C ATOM 127 CG GLN A 9 -5.960 -20.580 21.909 1.00 0.00 C ATOM 128 CD GLN A 9 -4.894 -21.320 22.690 1.00 0.00 C ATOM 129 OE1 GLN A 9 -3.939 -20.586 23.237 1.00 0.00 O flip ATOM 130 NE2 GLN A 9 -4.930 -22.544 22.797 1.00 0.00 N flip ATOM 0 H GLN A 9 -7.635 -19.818 19.021 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.393 -18.518 20.777 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.509 -19.517 20.750 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.207 -18.583 22.059 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.790 -20.339 22.573 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.354 -21.234 21.131 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.685 -23.072 22.359 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.205 -23.031 23.324 1.00 0.00 H new ATOM 139 N SER A 10 -5.906 -17.034 18.580 1.00 0.00 N ATOM 140 CA SER A 10 -5.438 -15.768 18.058 1.00 0.00 C ATOM 141 C SER A 10 -6.250 -15.392 16.829 1.00 0.00 C ATOM 142 O SER A 10 -6.753 -16.268 16.119 1.00 0.00 O ATOM 143 CB SER A 10 -3.948 -15.862 17.712 1.00 0.00 C ATOM 144 OG SER A 10 -3.428 -14.601 17.326 1.00 0.00 O ATOM 0 H SER A 10 -6.216 -17.695 17.867 1.00 0.00 H new ATOM 0 HA SER A 10 -5.567 -14.994 18.815 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.395 -16.237 18.573 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.805 -16.580 16.904 1.00 0.00 H new ATOM 0 HG SER A 10 -2.476 -14.691 17.113 1.00 0.00 H new ATOM 150 N TYR A 11 -6.393 -14.099 16.593 1.00 0.00 N ATOM 151 CA TYR A 11 -7.157 -13.616 15.457 1.00 0.00 C ATOM 152 C TYR A 11 -6.297 -12.716 14.585 1.00 0.00 C ATOM 153 O TYR A 11 -6.166 -11.524 14.852 1.00 0.00 O ATOM 154 CB TYR A 11 -8.406 -12.860 15.921 1.00 0.00 C ATOM 155 CG TYR A 11 -9.373 -13.705 16.723 1.00 0.00 C ATOM 156 CD1 TYR A 11 -10.227 -14.604 16.094 1.00 0.00 C ATOM 157 CD2 TYR A 11 -9.432 -13.602 18.108 1.00 0.00 C ATOM 158 CE1 TYR A 11 -11.118 -15.370 16.823 1.00 0.00 C ATOM 159 CE2 TYR A 11 -10.318 -14.367 18.840 1.00 0.00 C ATOM 160 CZ TYR A 11 -11.157 -15.249 18.194 1.00 0.00 C ATOM 161 OH TYR A 11 -12.046 -16.007 18.925 1.00 0.00 O ATOM 0 H TYR A 11 -5.989 -13.364 17.174 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.474 -14.479 14.871 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.098 -12.006 16.525 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.924 -12.463 15.048 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.194 -14.706 15.019 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.775 -12.914 18.619 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.780 -16.059 16.320 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -10.353 -14.275 19.915 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.122 -16.898 18.525 1.00 0.00 H new ATOM 171 N PRO A 12 -5.666 -13.286 13.550 1.00 0.00 N ATOM 172 CA PRO A 12 -4.873 -12.519 12.596 1.00 0.00 C ATOM 173 C PRO A 12 -5.770 -11.707 11.676 1.00 0.00 C ATOM 174 O PRO A 12 -6.589 -12.270 10.947 1.00 0.00 O ATOM 175 CB PRO A 12 -4.107 -13.587 11.796 1.00 0.00 C ATOM 176 CG PRO A 12 -4.377 -14.885 12.484 1.00 0.00 C ATOM 177 CD PRO A 12 -5.670 -14.715 13.225 1.00 0.00 C ATOM 0 HA PRO A 12 -4.211 -11.805 13.086 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.445 -13.616 10.760 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.039 -13.370 11.777 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.448 -15.699 11.762 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.568 -15.136 13.169 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.528 -14.989 12.611 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.708 -15.335 14.121 1.00 0.00 H new ATOM 185 N PHE A 13 -5.631 -10.392 11.720 1.00 0.00 N ATOM 186 CA PHE A 13 -6.487 -9.512 10.939 1.00 0.00 C ATOM 187 C PHE A 13 -6.285 -9.734 9.447 1.00 0.00 C ATOM 188 O PHE A 13 -5.162 -9.913 8.975 1.00 0.00 O ATOM 189 CB PHE A 13 -6.223 -8.051 11.299 1.00 0.00 C ATOM 190 CG PHE A 13 -6.456 -7.747 12.749 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.740 -7.706 13.265 1.00 0.00 C ATOM 192 CD2 PHE A 13 -5.389 -7.504 13.595 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.956 -7.431 14.601 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.598 -7.228 14.933 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.884 -7.192 15.437 1.00 0.00 C ATOM 0 H PHE A 13 -4.934 -9.910 12.288 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.523 -9.750 11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.193 -7.801 11.043 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.866 -7.413 10.693 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.583 -7.891 12.615 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.382 -7.530 13.206 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.963 -7.403 14.991 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.757 -7.041 15.584 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.050 -6.977 16.482 1.00 0.00 H new ATOM 205 N SER A 14 -7.384 -9.727 8.711 1.00 0.00 N ATOM 206 CA SER A 14 -7.336 -9.928 7.277 1.00 0.00 C ATOM 207 C SER A 14 -7.231 -8.592 6.564 1.00 0.00 C ATOM 208 O SER A 14 -8.075 -7.714 6.740 1.00 0.00 O ATOM 209 CB SER A 14 -8.580 -10.684 6.809 1.00 0.00 C ATOM 210 OG SER A 14 -8.629 -11.982 7.381 1.00 0.00 O ATOM 0 H SER A 14 -8.321 -9.584 9.087 1.00 0.00 H new ATOM 0 HA SER A 14 -6.455 -10.522 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.475 -10.126 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.576 -10.761 5.722 1.00 0.00 H new ATOM 0 HG SER A 14 -9.434 -12.447 7.069 1.00 0.00 H new ATOM 216 N ILE A 15 -6.173 -8.434 5.789 1.00 0.00 N ATOM 217 CA ILE A 15 -5.966 -7.220 5.028 1.00 0.00 C ATOM 218 C ILE A 15 -6.126 -7.514 3.549 1.00 0.00 C ATOM 219 O ILE A 15 -5.343 -8.267 2.969 1.00 0.00 O ATOM 220 CB ILE A 15 -4.571 -6.623 5.289 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.361 -6.426 6.791 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.410 -5.303 4.549 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.012 -5.847 7.147 1.00 0.00 C ATOM 0 H ILE A 15 -5.442 -9.136 5.671 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.711 -6.490 5.345 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.816 -7.316 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.141 -5.768 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.478 -7.386 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.418 -4.895 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.529 -5.469 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.167 -4.598 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.937 -5.737 8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.225 -6.514 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.898 -4.872 6.674 1.00 0.00 H new ATOM 235 N GLU A 16 -7.157 -6.946 2.951 1.00 0.00 N ATOM 236 CA GLU A 16 -7.446 -7.198 1.554 1.00 0.00 C ATOM 237 C GLU A 16 -7.379 -5.922 0.740 1.00 0.00 C ATOM 238 O GLU A 16 -7.747 -4.841 1.208 1.00 0.00 O ATOM 239 CB GLU A 16 -8.809 -7.869 1.405 1.00 0.00 C ATOM 240 CG GLU A 16 -8.812 -9.298 1.914 1.00 0.00 C ATOM 241 CD GLU A 16 -10.167 -9.961 1.814 1.00 0.00 C ATOM 242 OE1 GLU A 16 -10.992 -9.774 2.728 1.00 0.00 O ATOM 243 OE2 GLU A 16 -10.405 -10.691 0.827 1.00 0.00 O ATOM 0 H GLU A 16 -7.807 -6.308 3.411 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.684 -7.875 1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.556 -7.291 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.102 -7.860 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.086 -9.881 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.485 -9.308 2.954 1.00 0.00 H new ATOM 250 N THR A 17 -6.892 -6.065 -0.475 1.00 0.00 N ATOM 251 CA THR A 17 -6.739 -4.946 -1.379 1.00 0.00 C ATOM 252 C THR A 17 -7.655 -5.111 -2.584 1.00 0.00 C ATOM 253 O THR A 17 -7.850 -6.227 -3.076 1.00 0.00 O ATOM 254 CB THR A 17 -5.277 -4.822 -1.852 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.818 -6.090 -2.344 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.375 -4.358 -0.716 1.00 0.00 C ATOM 0 H THR A 17 -6.592 -6.959 -0.863 1.00 0.00 H new ATOM 0 HA THR A 17 -7.012 -4.037 -0.842 1.00 0.00 H new ATOM 0 HB THR A 17 -5.236 -4.081 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.147 -5.946 -3.043 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.349 -4.278 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.711 -3.384 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.419 -5.079 0.101 1.00 0.00 H new ATOM 264 N MET A 18 -8.231 -4.009 -3.039 1.00 0.00 N ATOM 265 CA MET A 18 -9.088 -4.029 -4.217 1.00 0.00 C ATOM 266 C MET A 18 -8.256 -4.209 -5.482 1.00 0.00 C ATOM 267 O MET A 18 -7.071 -3.870 -5.500 1.00 0.00 O ATOM 268 CB MET A 18 -9.920 -2.747 -4.305 1.00 0.00 C ATOM 269 CG MET A 18 -11.034 -2.683 -3.275 1.00 0.00 C ATOM 270 SD MET A 18 -12.164 -4.082 -3.390 1.00 0.00 S ATOM 271 CE MET A 18 -13.323 -3.700 -2.079 1.00 0.00 C ATOM 0 H MET A 18 -8.121 -3.089 -2.612 1.00 0.00 H new ATOM 0 HA MET A 18 -9.769 -4.875 -4.126 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.264 -1.886 -4.175 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.352 -2.670 -5.303 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.599 -2.653 -2.276 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.593 -1.757 -3.407 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.084 -4.479 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.793 -3.648 -1.128 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.799 -2.741 -2.282 1.00 0.00 H new ATOM 281 N PRO A 19 -8.866 -4.763 -6.547 1.00 0.00 N ATOM 282 CA PRO A 19 -8.182 -5.024 -7.820 1.00 0.00 C ATOM 283 C PRO A 19 -7.508 -3.784 -8.399 1.00 0.00 C ATOM 284 O PRO A 19 -7.984 -2.657 -8.229 1.00 0.00 O ATOM 285 CB PRO A 19 -9.305 -5.503 -8.753 1.00 0.00 C ATOM 286 CG PRO A 19 -10.579 -5.152 -8.062 1.00 0.00 C ATOM 287 CD PRO A 19 -10.274 -5.186 -6.595 1.00 0.00 C ATOM 0 HA PRO A 19 -7.377 -5.748 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.240 -5.016 -9.726 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.237 -6.577 -8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.929 -4.165 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.368 -5.861 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.919 -4.511 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.412 -6.183 -6.176 1.00 0.00 H new ATOM 295 N VAL A 20 -6.399 -4.001 -9.086 1.00 0.00 N ATOM 296 CA VAL A 20 -5.626 -2.914 -9.667 1.00 0.00 C ATOM 297 C VAL A 20 -5.441 -3.135 -11.164 1.00 0.00 C ATOM 298 O VAL A 20 -5.579 -4.262 -11.650 1.00 0.00 O ATOM 299 CB VAL A 20 -4.240 -2.779 -8.991 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.389 -2.397 -7.527 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.440 -4.066 -9.125 1.00 0.00 C ATOM 0 H VAL A 20 -6.010 -4.929 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.182 -1.992 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.695 -1.985 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.403 -2.308 -7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.911 -1.443 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.960 -3.166 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.471 -3.944 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.983 -4.883 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.293 -4.295 -10.181 1.00 0.00 H new ATOM 311 N PRO A 21 -5.152 -2.065 -11.920 1.00 0.00 N ATOM 312 CA PRO A 21 -4.849 -2.175 -13.347 1.00 0.00 C ATOM 313 C PRO A 21 -3.672 -3.114 -13.593 1.00 0.00 C ATOM 314 O PRO A 21 -2.646 -3.028 -12.913 1.00 0.00 O ATOM 315 CB PRO A 21 -4.492 -0.742 -13.755 1.00 0.00 C ATOM 316 CG PRO A 21 -5.139 0.120 -12.729 1.00 0.00 C ATOM 317 CD PRO A 21 -5.108 -0.671 -11.452 1.00 0.00 C ATOM 0 HA PRO A 21 -5.681 -2.587 -13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.412 -0.593 -13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.861 -0.512 -14.754 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.605 1.064 -12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.163 0.365 -13.013 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.206 -0.468 -10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.957 -0.434 -10.811 1.00 0.00 H new ATOM 325 N LYS A 22 -3.823 -4.006 -14.563 1.00 0.00 N ATOM 326 CA LYS A 22 -2.806 -5.013 -14.855 1.00 0.00 C ATOM 327 C LYS A 22 -1.524 -4.375 -15.385 1.00 0.00 C ATOM 328 O LYS A 22 -0.434 -4.929 -15.236 1.00 0.00 O ATOM 329 CB LYS A 22 -3.348 -6.030 -15.861 1.00 0.00 C ATOM 330 CG LYS A 22 -3.852 -5.414 -17.157 1.00 0.00 C ATOM 331 CD LYS A 22 -4.423 -6.472 -18.089 1.00 0.00 C ATOM 332 CE LYS A 22 -3.370 -7.497 -18.477 1.00 0.00 C ATOM 333 NZ LYS A 22 -3.941 -8.606 -19.284 1.00 0.00 N ATOM 0 H LYS A 22 -4.645 -4.054 -15.166 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.562 -5.525 -13.924 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.562 -6.748 -16.094 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.161 -6.587 -15.396 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.618 -4.671 -16.935 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.035 -4.891 -17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.260 -6.974 -17.603 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.816 -5.994 -18.987 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.579 -7.007 -19.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.911 -7.904 -17.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.253 -9.384 -19.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.815 -8.948 -18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.155 -8.263 -20.242 1.00 0.00 H new ATOM 347 N LYS A 23 -1.663 -3.213 -16.005 1.00 0.00 N ATOM 348 CA LYS A 23 -0.521 -2.459 -16.497 1.00 0.00 C ATOM 349 C LYS A 23 -0.778 -0.969 -16.317 1.00 0.00 C ATOM 350 O LYS A 23 -1.921 -0.516 -16.408 1.00 0.00 O ATOM 351 CB LYS A 23 -0.237 -2.791 -17.971 1.00 0.00 C ATOM 352 CG LYS A 23 -1.419 -2.556 -18.904 1.00 0.00 C ATOM 353 CD LYS A 23 -1.093 -2.941 -20.343 1.00 0.00 C ATOM 354 CE LYS A 23 -0.799 -4.428 -20.474 1.00 0.00 C ATOM 355 NZ LYS A 23 -0.558 -4.834 -21.885 1.00 0.00 N ATOM 0 H LYS A 23 -2.564 -2.769 -16.180 1.00 0.00 H new ATOM 0 HA LYS A 23 0.361 -2.739 -15.921 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.605 -2.189 -18.311 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.067 -3.835 -18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.275 -3.135 -18.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.708 -1.506 -18.866 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.930 -2.677 -20.989 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.232 -2.368 -20.687 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.075 -4.678 -19.872 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.636 -4.998 -20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.362 -5.855 -21.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.401 -4.621 -22.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.257 -4.310 -22.262 1.00 0.00 H new ATOM 369 N LEU A 24 0.275 -0.209 -16.051 1.00 0.00 N ATOM 370 CA LEU A 24 0.138 1.220 -15.793 1.00 0.00 C ATOM 371 C LEU A 24 0.951 2.042 -16.782 1.00 0.00 C ATOM 372 O LEU A 24 1.812 1.515 -17.487 1.00 0.00 O ATOM 373 CB LEU A 24 0.576 1.550 -14.363 1.00 0.00 C ATOM 374 CG LEU A 24 -0.359 1.058 -13.256 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.271 1.290 -11.891 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.706 1.764 -13.343 1.00 0.00 C ATOM 0 H LEU A 24 1.233 -0.556 -16.008 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.914 1.478 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.564 1.121 -14.197 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.678 2.631 -14.274 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.520 -0.012 -13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.405 0.935 -11.113 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.214 0.746 -11.828 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.457 2.355 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.358 1.402 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.561 2.839 -13.232 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.163 1.557 -14.311 1.00 0.00 H new ATOM 388 N LYS A 25 0.640 3.328 -16.852 1.00 0.00 N ATOM 389 CA LYS A 25 1.395 4.269 -17.670 1.00 0.00 C ATOM 390 C LYS A 25 1.888 5.419 -16.804 1.00 0.00 C ATOM 391 O LYS A 25 1.560 5.494 -15.618 1.00 0.00 O ATOM 392 CB LYS A 25 0.532 4.825 -18.803 1.00 0.00 C ATOM 393 CG LYS A 25 -0.037 3.770 -19.732 1.00 0.00 C ATOM 394 CD LYS A 25 -0.786 4.410 -20.883 1.00 0.00 C ATOM 395 CE LYS A 25 -1.459 3.374 -21.761 1.00 0.00 C ATOM 396 NZ LYS A 25 -2.091 3.999 -22.949 1.00 0.00 N ATOM 0 H LYS A 25 -0.139 3.749 -16.346 1.00 0.00 H new ATOM 0 HA LYS A 25 2.243 3.739 -18.105 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.291 5.394 -18.371 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.129 5.524 -19.389 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.770 3.147 -20.119 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.707 3.114 -19.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.536 5.097 -20.491 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.094 5.001 -21.483 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.725 2.636 -22.084 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.214 2.841 -21.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.543 3.264 -23.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.809 4.685 -22.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.365 4.487 -23.512 1.00 0.00 H new ATOM 410 N VAL A 26 2.656 6.320 -17.395 1.00 0.00 N ATOM 411 CA VAL A 26 3.112 7.507 -16.691 1.00 0.00 C ATOM 412 C VAL A 26 1.952 8.483 -16.521 1.00 0.00 C ATOM 413 O VAL A 26 1.397 8.981 -17.503 1.00 0.00 O ATOM 414 CB VAL A 26 4.265 8.207 -17.439 1.00 0.00 C ATOM 415 CG1 VAL A 26 4.757 9.422 -16.660 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.407 7.234 -17.693 1.00 0.00 C ATOM 0 H VAL A 26 2.977 6.252 -18.361 1.00 0.00 H new ATOM 0 HA VAL A 26 3.483 7.192 -15.716 1.00 0.00 H new ATOM 0 HB VAL A 26 3.887 8.551 -18.402 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.570 9.900 -17.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.938 10.130 -16.535 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.115 9.106 -15.680 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.211 7.746 -18.222 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.781 6.856 -16.742 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.048 6.401 -18.298 1.00 0.00 H new ATOM 426 N GLY A 27 1.570 8.732 -15.279 1.00 0.00 N ATOM 427 CA GLY A 27 0.462 9.623 -15.008 1.00 0.00 C ATOM 428 C GLY A 27 -0.742 8.876 -14.482 1.00 0.00 C ATOM 429 O GLY A 27 -1.655 9.474 -13.910 1.00 0.00 O ATOM 0 H GLY A 27 2.009 8.331 -14.450 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.769 10.375 -14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.191 10.154 -15.921 1.00 0.00 H new ATOM 433 N GLU A 28 -0.737 7.561 -14.665 1.00 0.00 N ATOM 434 CA GLU A 28 -1.823 6.720 -14.188 1.00 0.00 C ATOM 435 C GLU A 28 -1.783 6.611 -12.672 1.00 0.00 C ATOM 436 O GLU A 28 -0.764 6.238 -12.093 1.00 0.00 O ATOM 437 CB GLU A 28 -1.736 5.323 -14.810 1.00 0.00 C ATOM 438 CG GLU A 28 -2.052 5.288 -16.293 1.00 0.00 C ATOM 439 CD GLU A 28 -3.492 5.645 -16.586 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.393 4.880 -16.180 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.731 6.690 -17.223 1.00 0.00 O ATOM 0 H GLU A 28 0.010 7.055 -15.142 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.765 7.180 -14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.732 4.929 -14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.424 4.660 -14.286 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.395 5.982 -16.818 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.841 4.292 -16.683 1.00 0.00 H new ATOM 448 N THR A 29 -2.887 6.948 -12.029 1.00 0.00 N ATOM 449 CA THR A 29 -2.975 6.845 -10.587 1.00 0.00 C ATOM 450 C THR A 29 -3.711 5.570 -10.194 1.00 0.00 C ATOM 451 O THR A 29 -4.928 5.472 -10.345 1.00 0.00 O ATOM 452 CB THR A 29 -3.689 8.068 -9.982 1.00 0.00 C ATOM 453 OG1 THR A 29 -3.098 9.274 -10.490 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.599 8.058 -8.461 1.00 0.00 C ATOM 0 H THR A 29 -3.732 7.294 -12.483 1.00 0.00 H new ATOM 0 HA THR A 29 -1.960 6.812 -10.192 1.00 0.00 H new ATOM 0 HB THR A 29 -4.741 8.024 -10.265 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.556 10.050 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.111 8.933 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.069 7.154 -8.075 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.552 8.081 -8.158 1.00 0.00 H new ATOM 462 N ALA A 30 -2.966 4.592 -9.715 1.00 0.00 N ATOM 463 CA ALA A 30 -3.550 3.334 -9.292 1.00 0.00 C ATOM 464 C ALA A 30 -3.971 3.426 -7.838 1.00 0.00 C ATOM 465 O ALA A 30 -3.129 3.454 -6.940 1.00 0.00 O ATOM 466 CB ALA A 30 -2.567 2.189 -9.493 1.00 0.00 C ATOM 0 H ALA A 30 -1.953 4.645 -9.609 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.430 3.133 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.026 1.255 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.303 2.117 -10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.668 2.374 -8.906 1.00 0.00 H new ATOM 472 N GLU A 31 -5.271 3.521 -7.612 1.00 0.00 N ATOM 473 CA GLU A 31 -5.791 3.556 -6.261 1.00 0.00 C ATOM 474 C GLU A 31 -5.992 2.147 -5.739 1.00 0.00 C ATOM 475 O GLU A 31 -6.804 1.382 -6.266 1.00 0.00 O ATOM 476 CB GLU A 31 -7.111 4.323 -6.185 1.00 0.00 C ATOM 477 CG GLU A 31 -7.672 4.376 -4.772 1.00 0.00 C ATOM 478 CD GLU A 31 -9.064 4.958 -4.702 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.000 4.340 -5.243 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.239 6.014 -4.064 1.00 0.00 O ATOM 0 H GLU A 31 -5.979 3.575 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.059 4.075 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.959 5.339 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.840 3.852 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.686 3.368 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.006 4.970 -4.146 1.00 0.00 H new ATOM 487 N ILE A 32 -5.239 1.805 -4.717 1.00 0.00 N ATOM 488 CA ILE A 32 -5.372 0.520 -4.078 1.00 0.00 C ATOM 489 C ILE A 32 -6.129 0.683 -2.770 1.00 0.00 C ATOM 490 O ILE A 32 -5.567 1.144 -1.776 1.00 0.00 O ATOM 491 CB ILE A 32 -3.993 -0.114 -3.792 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.129 -0.113 -5.060 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.165 -1.533 -3.263 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.726 -0.639 -4.845 1.00 0.00 C ATOM 0 H ILE A 32 -4.523 2.407 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.918 -0.139 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.487 0.481 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.620 -0.717 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.070 0.904 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.186 -1.969 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.745 -1.510 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.688 -2.137 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.177 -0.607 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.215 -0.022 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.774 -1.668 -4.488 1.00 0.00 H new ATOM 506 N ARG A 33 -7.414 0.365 -2.779 1.00 0.00 N ATOM 507 CA ARG A 33 -8.178 0.364 -1.546 1.00 0.00 C ATOM 508 C ARG A 33 -7.709 -0.776 -0.664 1.00 0.00 C ATOM 509 O ARG A 33 -7.862 -1.947 -1.014 1.00 0.00 O ATOM 510 CB ARG A 33 -9.683 0.234 -1.806 1.00 0.00 C ATOM 511 CG ARG A 33 -10.485 -0.015 -0.533 1.00 0.00 C ATOM 512 CD ARG A 33 -11.966 -0.214 -0.811 1.00 0.00 C ATOM 513 NE ARG A 33 -12.660 -0.760 0.356 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.680 -0.163 0.974 1.00 0.00 C ATOM 515 NH1 ARG A 33 -14.149 0.999 0.536 1.00 0.00 N ATOM 516 NH2 ARG A 33 -14.240 -0.742 2.026 1.00 0.00 N ATOM 0 H ARG A 33 -7.941 0.108 -3.613 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.012 1.318 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.044 1.144 -2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.857 -0.584 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.092 -0.896 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.356 0.828 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.416 0.738 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.091 -0.888 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.342 -1.658 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.729 1.443 -0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.930 1.447 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.891 -1.640 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.020 -0.289 2.502 1.00 0.00 H new ATOM 530 N CYS A 34 -7.124 -0.428 0.464 1.00 0.00 N ATOM 531 CA CYS A 34 -6.665 -1.415 1.411 1.00 0.00 C ATOM 532 C CYS A 34 -7.582 -1.408 2.620 1.00 0.00 C ATOM 533 O CYS A 34 -7.846 -0.354 3.205 1.00 0.00 O ATOM 534 CB CYS A 34 -5.225 -1.119 1.822 1.00 0.00 C ATOM 535 SG CYS A 34 -4.493 -2.381 2.877 1.00 0.00 S ATOM 0 H CYS A 34 -6.956 0.538 0.745 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.688 -2.403 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.616 -1.012 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.196 -0.162 2.343 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.233 -2.118 3.058 1.00 0.00 H new ATOM 541 N GLN A 35 -8.089 -2.571 2.978 1.00 0.00 N ATOM 542 CA GLN A 35 -9.033 -2.668 4.070 1.00 0.00 C ATOM 543 C GLN A 35 -8.627 -3.773 5.028 1.00 0.00 C ATOM 544 O GLN A 35 -8.628 -4.957 4.677 1.00 0.00 O ATOM 545 CB GLN A 35 -10.445 -2.903 3.523 1.00 0.00 C ATOM 546 CG GLN A 35 -11.495 -3.122 4.597 1.00 0.00 C ATOM 547 CD GLN A 35 -12.902 -3.017 4.051 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.150 -3.266 2.871 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.838 -2.645 4.906 1.00 0.00 N ATOM 0 H GLN A 35 -7.863 -3.459 2.529 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.031 -1.729 4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.735 -2.046 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.428 -3.771 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.354 -4.105 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.359 -2.387 5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.593 -2.447 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.806 -2.556 4.596 1.00 0.00 H new ATOM 558 N LEU A 36 -8.253 -3.370 6.229 1.00 0.00 N ATOM 559 CA LEU A 36 -7.921 -4.303 7.286 1.00 0.00 C ATOM 560 C LEU A 36 -9.176 -4.596 8.088 1.00 0.00 C ATOM 561 O LEU A 36 -9.794 -3.683 8.631 1.00 0.00 O ATOM 562 CB LEU A 36 -6.822 -3.706 8.184 1.00 0.00 C ATOM 563 CG LEU A 36 -6.269 -4.620 9.287 1.00 0.00 C ATOM 564 CD1 LEU A 36 -4.871 -4.180 9.681 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.168 -4.609 10.515 1.00 0.00 C ATOM 0 H LEU A 36 -8.172 -2.389 6.497 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.542 -5.233 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.992 -3.397 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.217 -2.805 8.653 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.235 -5.635 8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.490 -4.836 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.215 -4.233 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.903 -3.155 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.750 -5.266 11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.236 -3.594 10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.163 -4.959 10.241 1.00 0.00 H new ATOM 577 N HIS A 37 -9.572 -5.854 8.146 1.00 0.00 N ATOM 578 CA HIS A 37 -10.755 -6.217 8.906 1.00 0.00 C ATOM 579 C HIS A 37 -10.412 -6.287 10.387 1.00 0.00 C ATOM 580 O HIS A 37 -9.854 -7.277 10.858 1.00 0.00 O ATOM 581 CB HIS A 37 -11.333 -7.557 8.427 1.00 0.00 C ATOM 582 CG HIS A 37 -12.620 -7.926 9.107 1.00 0.00 C ATOM 583 ND1 HIS A 37 -12.796 -9.105 9.800 1.00 0.00 N ATOM 584 CD2 HIS A 37 -13.794 -7.256 9.207 1.00 0.00 C ATOM 585 CE1 HIS A 37 -14.017 -9.143 10.296 1.00 0.00 C ATOM 586 NE2 HIS A 37 -14.644 -8.034 9.953 1.00 0.00 N ATOM 0 H HIS A 37 -9.101 -6.632 7.684 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.515 -5.452 8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.500 -7.509 7.351 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.599 -8.344 8.601 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -14.019 -6.290 8.779 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.434 -9.947 10.884 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.604 -7.794 10.202 1.00 0.00 H new ATOM 595 N ARG A 38 -10.737 -5.226 11.107 1.00 0.00 N ATOM 596 CA ARG A 38 -10.463 -5.157 12.532 1.00 0.00 C ATOM 597 C ARG A 38 -11.752 -5.317 13.318 1.00 0.00 C ATOM 598 O ARG A 38 -12.779 -4.742 12.964 1.00 0.00 O ATOM 599 CB ARG A 38 -9.781 -3.829 12.887 1.00 0.00 C ATOM 600 CG ARG A 38 -9.366 -3.728 14.347 1.00 0.00 C ATOM 601 CD ARG A 38 -8.506 -2.500 14.609 1.00 0.00 C ATOM 602 NE ARG A 38 -9.233 -1.249 14.414 1.00 0.00 N ATOM 603 CZ ARG A 38 -8.869 -0.084 14.953 1.00 0.00 C ATOM 604 NH1 ARG A 38 -7.776 -0.005 15.703 1.00 0.00 N ATOM 605 NH2 ARG A 38 -9.595 1.000 14.726 1.00 0.00 N ATOM 0 H ARG A 38 -11.193 -4.397 10.725 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.786 -5.970 12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.900 -3.703 12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.459 -3.008 12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.256 -3.689 14.975 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.815 -4.625 14.631 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.126 -2.539 15.630 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.641 -2.520 13.946 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.070 -1.267 13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.210 -0.837 15.869 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.502 0.888 16.113 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.429 0.942 14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.321 1.893 15.136 1.00 0.00 H new ATOM 619 N ASP A 39 -11.694 -6.119 14.364 1.00 0.00 N ATOM 620 CA ASP A 39 -12.837 -6.341 15.227 1.00 0.00 C ATOM 621 C ASP A 39 -12.795 -5.357 16.385 1.00 0.00 C ATOM 622 O ASP A 39 -11.732 -4.822 16.710 1.00 0.00 O ATOM 623 CB ASP A 39 -12.826 -7.786 15.741 1.00 0.00 C ATOM 624 CG ASP A 39 -13.987 -8.109 16.664 1.00 0.00 C ATOM 625 OD1 ASP A 39 -15.148 -7.845 16.287 1.00 0.00 O ATOM 626 OD2 ASP A 39 -13.739 -8.636 17.768 1.00 0.00 O ATOM 0 H ASP A 39 -10.857 -6.633 14.638 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.758 -6.183 14.666 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.849 -8.466 14.890 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.890 -7.968 16.270 1.00 0.00 H new ATOM 631 N GLY A 40 -13.944 -5.117 16.994 1.00 0.00 N ATOM 632 CA GLY A 40 -14.035 -4.179 18.100 1.00 0.00 C ATOM 633 C GLY A 40 -13.456 -4.734 19.388 1.00 0.00 C ATOM 634 O GLY A 40 -14.142 -4.815 20.405 1.00 0.00 O ATOM 0 H GLY A 40 -14.828 -5.559 16.741 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.510 -3.261 17.836 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.080 -3.914 18.261 1.00 0.00 H new ATOM 638 N ARG A 41 -12.193 -5.115 19.339 1.00 0.00 N ATOM 639 CA ARG A 41 -11.491 -5.638 20.500 1.00 0.00 C ATOM 640 C ARG A 41 -10.104 -5.013 20.535 1.00 0.00 C ATOM 641 O ARG A 41 -9.191 -5.453 19.831 1.00 0.00 O ATOM 642 CB ARG A 41 -11.410 -7.162 20.409 1.00 0.00 C ATOM 643 CG ARG A 41 -11.318 -7.870 21.750 1.00 0.00 C ATOM 644 CD ARG A 41 -11.497 -9.371 21.575 1.00 0.00 C ATOM 645 NE ARG A 41 -11.648 -10.071 22.850 1.00 0.00 N ATOM 646 CZ ARG A 41 -12.712 -10.809 23.169 1.00 0.00 C ATOM 647 NH1 ARG A 41 -13.736 -10.903 22.330 1.00 0.00 N ATOM 648 NH2 ARG A 41 -12.758 -11.437 24.335 1.00 0.00 N ATOM 0 H ARG A 41 -11.623 -5.071 18.494 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.021 -5.389 21.419 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.289 -7.529 19.879 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.540 -7.432 19.810 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.352 -7.665 22.211 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.081 -7.483 22.425 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.374 -9.559 20.955 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.637 -9.776 21.042 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.896 -9.990 23.535 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.711 -10.410 21.438 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.548 -11.468 22.578 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.979 -11.356 24.989 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.572 -12.001 24.579 1.00 0.00 H new ATOM 662 N PHE A 42 -9.954 -3.965 21.326 1.00 0.00 N ATOM 663 CA PHE A 42 -8.779 -3.115 21.228 1.00 0.00 C ATOM 664 C PHE A 42 -7.851 -3.271 22.424 1.00 0.00 C ATOM 665 O PHE A 42 -8.148 -2.798 23.519 1.00 0.00 O ATOM 666 CB PHE A 42 -9.199 -1.649 21.089 1.00 0.00 C ATOM 667 CG PHE A 42 -10.194 -1.410 19.989 1.00 0.00 C ATOM 668 CD1 PHE A 42 -9.786 -1.358 18.667 1.00 0.00 C ATOM 669 CD2 PHE A 42 -11.537 -1.234 20.279 1.00 0.00 C ATOM 670 CE1 PHE A 42 -10.702 -1.138 17.655 1.00 0.00 C ATOM 671 CE2 PHE A 42 -12.455 -1.013 19.272 1.00 0.00 C ATOM 672 CZ PHE A 42 -12.037 -0.964 17.959 1.00 0.00 C ATOM 0 H PHE A 42 -10.626 -3.683 22.039 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.229 -3.429 20.341 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.626 -1.311 22.033 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.313 -1.042 20.904 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.742 -1.491 18.424 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.870 -1.270 21.306 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.373 -1.102 16.627 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.499 -0.879 19.512 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.753 -0.790 17.170 1.00 0.00 H new ATOM 682 N GLU A 43 -6.730 -3.943 22.207 1.00 0.00 N ATOM 683 CA GLU A 43 -5.647 -3.949 23.177 1.00 0.00 C ATOM 684 C GLU A 43 -4.377 -3.423 22.523 1.00 0.00 C ATOM 685 O GLU A 43 -3.469 -4.187 22.191 1.00 0.00 O ATOM 686 CB GLU A 43 -5.416 -5.342 23.773 1.00 0.00 C ATOM 687 CG GLU A 43 -6.558 -5.825 24.650 1.00 0.00 C ATOM 688 CD GLU A 43 -6.137 -6.936 25.588 1.00 0.00 C ATOM 689 OE1 GLU A 43 -5.566 -6.628 26.660 1.00 0.00 O ATOM 690 OE2 GLU A 43 -6.380 -8.119 25.271 1.00 0.00 O ATOM 0 H GLU A 43 -6.547 -4.491 21.367 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.927 -3.296 24.004 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.265 -6.055 22.962 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.498 -5.329 24.361 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.944 -4.988 25.233 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.374 -6.176 24.018 1.00 0.00 H new ATOM 697 N GLU A 44 -4.362 -2.109 22.303 1.00 0.00 N ATOM 698 CA GLU A 44 -3.258 -1.413 21.647 1.00 0.00 C ATOM 699 C GLU A 44 -2.816 -2.111 20.360 1.00 0.00 C ATOM 700 O GLU A 44 -1.628 -2.370 20.156 1.00 0.00 O ATOM 701 CB GLU A 44 -2.068 -1.237 22.597 1.00 0.00 C ATOM 702 CG GLU A 44 -2.280 -0.165 23.660 1.00 0.00 C ATOM 703 CD GLU A 44 -3.176 -0.613 24.796 1.00 0.00 C ATOM 704 OE1 GLU A 44 -4.414 -0.553 24.647 1.00 0.00 O ATOM 705 OE2 GLU A 44 -2.643 -1.018 25.853 1.00 0.00 O ATOM 0 H GLU A 44 -5.125 -1.491 22.579 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.631 -0.426 21.373 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.865 -2.188 23.089 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.183 -0.985 22.012 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.312 0.131 24.065 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.713 0.719 23.192 1.00 0.00 H new ATOM 712 N THR A 45 -3.773 -2.409 19.493 1.00 0.00 N ATOM 713 CA THR A 45 -3.465 -2.959 18.188 1.00 0.00 C ATOM 714 C THR A 45 -2.979 -1.854 17.258 1.00 0.00 C ATOM 715 O THR A 45 -3.770 -1.186 16.591 1.00 0.00 O ATOM 716 CB THR A 45 -4.684 -3.675 17.581 1.00 0.00 C ATOM 717 OG1 THR A 45 -5.894 -3.158 18.163 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.597 -5.175 17.813 1.00 0.00 C ATOM 0 H THR A 45 -4.768 -2.278 19.673 1.00 0.00 H new ATOM 0 HA THR A 45 -2.673 -3.698 18.309 1.00 0.00 H new ATOM 0 HB THR A 45 -4.694 -3.492 16.506 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.667 -3.616 17.772 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.469 -5.662 17.376 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.692 -5.564 17.346 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.568 -5.376 18.884 1.00 0.00 H new ATOM 726 N LYS A 46 -1.675 -1.634 17.269 1.00 0.00 N ATOM 727 CA LYS A 46 -1.066 -0.562 16.496 1.00 0.00 C ATOM 728 C LYS A 46 -0.472 -1.116 15.211 1.00 0.00 C ATOM 729 O LYS A 46 0.291 -2.080 15.236 1.00 0.00 O ATOM 730 CB LYS A 46 0.004 0.134 17.339 1.00 0.00 C ATOM 731 CG LYS A 46 -0.520 0.597 18.691 1.00 0.00 C ATOM 732 CD LYS A 46 0.579 1.167 19.568 1.00 0.00 C ATOM 733 CE LYS A 46 0.071 1.439 20.975 1.00 0.00 C ATOM 734 NZ LYS A 46 1.133 1.998 21.848 1.00 0.00 N ATOM 0 H LYS A 46 -1.012 -2.189 17.810 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.827 0.170 16.227 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.840 -0.548 17.493 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.390 0.993 16.791 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.291 1.353 18.540 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.992 -0.242 19.202 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.415 0.469 19.609 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.956 2.091 19.129 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.766 2.135 20.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.307 0.514 21.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.747 2.169 22.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.921 1.323 21.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.476 2.894 21.447 1.00 0.00 H new ATOM 748 N TYR A 47 -0.832 -0.508 14.092 1.00 0.00 N ATOM 749 CA TYR A 47 -0.436 -1.019 12.790 1.00 0.00 C ATOM 750 C TYR A 47 0.632 -0.141 12.158 1.00 0.00 C ATOM 751 O TYR A 47 0.469 1.075 12.049 1.00 0.00 O ATOM 752 CB TYR A 47 -1.652 -1.104 11.871 1.00 0.00 C ATOM 753 CG TYR A 47 -2.789 -1.904 12.460 1.00 0.00 C ATOM 754 CD1 TYR A 47 -2.756 -3.291 12.461 1.00 0.00 C ATOM 755 CD2 TYR A 47 -3.886 -1.272 13.028 1.00 0.00 C ATOM 756 CE1 TYR A 47 -3.786 -4.025 13.009 1.00 0.00 C ATOM 757 CE2 TYR A 47 -4.920 -2.001 13.582 1.00 0.00 C ATOM 758 CZ TYR A 47 -4.864 -3.378 13.569 1.00 0.00 C ATOM 759 OH TYR A 47 -5.886 -4.113 14.121 1.00 0.00 O ATOM 0 H TYR A 47 -1.398 0.340 14.059 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.018 -2.016 12.929 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.003 -0.096 11.649 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.353 -1.553 10.924 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.911 -3.803 12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.932 -0.193 13.037 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.747 -5.104 12.999 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.767 -1.495 14.022 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.614 -5.052 14.188 1.00 0.00 H new ATOM 769 N PHE A 48 1.720 -0.771 11.743 1.00 0.00 N ATOM 770 CA PHE A 48 2.833 -0.071 11.111 1.00 0.00 C ATOM 771 C PHE A 48 3.046 -0.609 9.703 1.00 0.00 C ATOM 772 O PHE A 48 3.258 -1.808 9.517 1.00 0.00 O ATOM 773 CB PHE A 48 4.106 -0.255 11.940 1.00 0.00 C ATOM 774 CG PHE A 48 3.956 0.159 13.376 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.958 1.497 13.731 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.806 -0.794 14.371 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.814 1.878 15.051 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.659 -0.419 15.693 1.00 0.00 C ATOM 779 CZ PHE A 48 3.665 0.920 16.033 1.00 0.00 C ATOM 0 H PHE A 48 1.858 -1.778 11.833 1.00 0.00 H new ATOM 0 HA PHE A 48 2.600 0.992 11.055 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.405 -1.302 11.902 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.911 0.323 11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.073 2.252 12.967 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.804 -1.842 14.110 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.818 2.925 15.314 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.540 -1.171 16.459 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.553 1.216 17.065 1.00 0.00 H new ATOM 789 N ILE A 49 2.979 0.265 8.711 1.00 0.00 N ATOM 790 CA ILE A 49 3.134 -0.157 7.330 1.00 0.00 C ATOM 791 C ILE A 49 4.480 0.302 6.775 1.00 0.00 C ATOM 792 O ILE A 49 4.832 1.478 6.864 1.00 0.00 O ATOM 793 CB ILE A 49 1.973 0.382 6.459 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.171 0.012 4.985 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.835 1.889 6.624 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.073 0.526 4.077 1.00 0.00 C ATOM 0 H ILE A 49 2.819 1.265 8.836 1.00 0.00 H new ATOM 0 HA ILE A 49 3.105 -1.246 7.301 1.00 0.00 H new ATOM 0 HB ILE A 49 1.050 -0.087 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.127 0.409 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.226 -1.073 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.014 2.249 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.631 2.123 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.761 2.375 6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.280 0.226 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.116 0.109 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.031 1.614 4.136 1.00 0.00 H new ATOM 808 N ARG A 50 5.229 -0.633 6.207 1.00 0.00 N ATOM 809 CA ARG A 50 6.533 -0.328 5.638 1.00 0.00 C ATOM 810 C ARG A 50 6.481 -0.517 4.129 1.00 0.00 C ATOM 811 O ARG A 50 5.624 -1.237 3.617 1.00 0.00 O ATOM 812 CB ARG A 50 7.626 -1.219 6.238 1.00 0.00 C ATOM 813 CG ARG A 50 9.034 -0.684 6.002 1.00 0.00 C ATOM 814 CD ARG A 50 10.107 -1.702 6.354 1.00 0.00 C ATOM 815 NE ARG A 50 9.929 -2.270 7.689 1.00 0.00 N ATOM 816 CZ ARG A 50 10.513 -1.804 8.793 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.217 -0.676 8.758 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.365 -2.456 9.937 1.00 0.00 N ATOM 0 H ARG A 50 4.954 -1.612 6.128 1.00 0.00 H new ATOM 0 HA ARG A 50 6.779 0.707 5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.457 -1.318 7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.547 -2.218 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.140 -0.396 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.182 0.217 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.096 -2.505 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.086 -1.227 6.293 1.00 0.00 H new ATOM 0 HE ARG A 50 9.315 -3.079 7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.313 -0.162 7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.661 -0.325 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.807 -3.309 9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.809 -2.105 10.785 1.00 0.00 H new ATOM 832 N TYR A 51 7.395 0.127 3.424 1.00 0.00 N ATOM 833 CA TYR A 51 7.376 0.117 1.971 1.00 0.00 C ATOM 834 C TYR A 51 8.769 -0.153 1.433 1.00 0.00 C ATOM 835 O TYR A 51 9.763 0.264 2.033 1.00 0.00 O ATOM 836 CB TYR A 51 6.870 1.465 1.444 1.00 0.00 C ATOM 837 CG TYR A 51 6.001 2.194 2.440 1.00 0.00 C ATOM 838 CD1 TYR A 51 4.637 1.955 2.510 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.558 3.091 3.341 1.00 0.00 C ATOM 840 CE1 TYR A 51 3.854 2.594 3.448 1.00 0.00 C ATOM 841 CE2 TYR A 51 5.781 3.738 4.277 1.00 0.00 C ATOM 842 CZ TYR A 51 4.432 3.482 4.329 1.00 0.00 C ATOM 843 OH TYR A 51 3.656 4.112 5.271 1.00 0.00 O ATOM 0 H TYR A 51 8.160 0.663 3.834 1.00 0.00 H new ATOM 0 HA TYR A 51 6.705 -0.673 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.723 2.092 1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.305 1.302 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.182 1.259 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.620 3.285 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.793 2.399 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.229 4.441 4.964 1.00 0.00 H new ATOM 0 HH TYR A 51 4.111 4.923 5.580 1.00 0.00 H new ATOM 853 N PHE A 52 8.837 -0.866 0.325 1.00 0.00 N ATOM 854 CA PHE A 52 10.097 -1.102 -0.358 1.00 0.00 C ATOM 855 C PHE A 52 9.883 -1.065 -1.863 1.00 0.00 C ATOM 856 O PHE A 52 9.003 -1.745 -2.393 1.00 0.00 O ATOM 857 CB PHE A 52 10.698 -2.448 0.060 1.00 0.00 C ATOM 858 CG PHE A 52 12.039 -2.729 -0.559 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.169 -2.040 -0.141 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.172 -3.675 -1.562 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.403 -2.294 -0.709 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.404 -3.932 -2.134 1.00 0.00 C ATOM 863 CZ PHE A 52 14.520 -3.242 -1.707 1.00 0.00 C ATOM 0 H PHE A 52 8.028 -1.295 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 52 10.797 -0.315 -0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.797 -2.471 1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.007 -3.245 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.083 -1.296 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.303 -4.218 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.275 -1.752 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.493 -4.673 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.483 -3.443 -2.152 1.00 0.00 H new ATOM 873 N GLN A 53 10.665 -0.246 -2.546 1.00 0.00 N ATOM 874 CA GLN A 53 10.580 -0.148 -3.993 1.00 0.00 C ATOM 875 C GLN A 53 11.949 -0.359 -4.620 1.00 0.00 C ATOM 876 O GLN A 53 12.827 0.496 -4.510 1.00 0.00 O ATOM 877 CB GLN A 53 10.019 1.210 -4.424 1.00 0.00 C ATOM 878 CG GLN A 53 8.563 1.430 -4.046 1.00 0.00 C ATOM 879 CD GLN A 53 8.003 2.709 -4.638 1.00 0.00 C ATOM 880 OE1 GLN A 53 7.481 2.712 -5.752 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.114 3.806 -3.905 1.00 0.00 N ATOM 0 H GLN A 53 11.366 0.361 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 53 9.901 -0.928 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.623 1.999 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.121 1.306 -5.505 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.969 0.583 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.473 1.465 -2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.553 3.763 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.760 4.694 -4.260 1.00 0.00 H new ATOM 890 N PRO A 54 12.155 -1.515 -5.268 1.00 0.00 N ATOM 891 CA PRO A 54 13.400 -1.809 -5.984 1.00 0.00 C ATOM 892 C PRO A 54 13.617 -0.835 -7.135 1.00 0.00 C ATOM 893 O PRO A 54 14.734 -0.383 -7.390 1.00 0.00 O ATOM 894 CB PRO A 54 13.190 -3.229 -6.522 1.00 0.00 C ATOM 895 CG PRO A 54 12.073 -3.796 -5.713 1.00 0.00 C ATOM 896 CD PRO A 54 11.201 -2.633 -5.340 1.00 0.00 C ATOM 0 HA PRO A 54 14.276 -1.719 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.939 -3.215 -7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.095 -3.827 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.513 -4.536 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.452 -4.301 -4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.425 -2.455 -6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.697 -2.796 -4.387 1.00 0.00 H new ATOM 904 N ASP A 55 12.528 -0.514 -7.818 1.00 0.00 N ATOM 905 CA ASP A 55 12.554 0.448 -8.907 1.00 0.00 C ATOM 906 C ASP A 55 12.447 1.851 -8.342 1.00 0.00 C ATOM 907 O ASP A 55 13.393 2.634 -8.396 1.00 0.00 O ATOM 908 CB ASP A 55 11.411 0.167 -9.882 1.00 0.00 C ATOM 909 CG ASP A 55 11.401 -1.280 -10.335 1.00 0.00 C ATOM 910 OD1 ASP A 55 12.237 -1.642 -11.193 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.574 -2.065 -9.816 1.00 0.00 O ATOM 0 H ASP A 55 11.607 -0.911 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 55 13.494 0.359 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.460 0.405 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.505 0.819 -10.750 1.00 0.00 H new ATOM 916 N GLY A 56 11.284 2.152 -7.799 1.00 0.00 N ATOM 917 CA GLY A 56 11.108 3.373 -7.033 1.00 0.00 C ATOM 918 C GLY A 56 10.645 4.557 -7.858 1.00 0.00 C ATOM 919 O GLY A 56 10.606 5.682 -7.360 1.00 0.00 O ATOM 0 H GLY A 56 10.449 1.571 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.383 3.191 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.052 3.626 -6.551 1.00 0.00 H new ATOM 923 N ALA A 57 10.286 4.326 -9.111 1.00 0.00 N ATOM 924 CA ALA A 57 9.823 5.411 -9.959 1.00 0.00 C ATOM 925 C ALA A 57 8.306 5.530 -9.902 1.00 0.00 C ATOM 926 O ALA A 57 7.587 4.938 -10.708 1.00 0.00 O ATOM 927 CB ALA A 57 10.303 5.218 -11.387 1.00 0.00 C ATOM 0 H ALA A 57 10.306 3.409 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 57 10.247 6.343 -9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.945 6.041 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.393 5.197 -11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.916 4.277 -11.777 1.00 0.00 H new ATOM 933 N GLY A 58 7.833 6.289 -8.924 1.00 0.00 N ATOM 934 CA GLY A 58 6.410 6.475 -8.732 1.00 0.00 C ATOM 935 C GLY A 58 6.105 7.075 -7.374 1.00 0.00 C ATOM 936 O GLY A 58 6.850 6.863 -6.415 1.00 0.00 O ATOM 0 H GLY A 58 8.419 6.785 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.018 7.125 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.900 5.516 -8.830 1.00 0.00 H new ATOM 940 N THR A 59 5.018 7.823 -7.291 1.00 0.00 N ATOM 941 CA THR A 59 4.649 8.503 -6.058 1.00 0.00 C ATOM 942 C THR A 59 3.597 7.711 -5.284 1.00 0.00 C ATOM 943 O THR A 59 2.466 7.554 -5.741 1.00 0.00 O ATOM 944 CB THR A 59 4.105 9.913 -6.354 1.00 0.00 C ATOM 945 OG1 THR A 59 5.030 10.624 -7.189 1.00 0.00 O ATOM 946 CG2 THR A 59 3.872 10.694 -5.068 1.00 0.00 C ATOM 0 H THR A 59 4.372 7.976 -8.066 1.00 0.00 H new ATOM 0 HA THR A 59 5.550 8.583 -5.450 1.00 0.00 H new ATOM 0 HB THR A 59 3.150 9.808 -6.868 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.680 11.520 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.488 11.685 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.148 10.165 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.813 10.791 -4.526 1.00 0.00 H new ATOM 954 N LEU A 60 3.973 7.214 -4.115 1.00 0.00 N ATOM 955 CA LEU A 60 3.055 6.453 -3.280 1.00 0.00 C ATOM 956 C LEU A 60 2.530 7.321 -2.139 1.00 0.00 C ATOM 957 O LEU A 60 3.306 7.851 -1.343 1.00 0.00 O ATOM 958 CB LEU A 60 3.757 5.211 -2.723 1.00 0.00 C ATOM 959 CG LEU A 60 2.876 4.274 -1.894 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.730 3.733 -2.735 1.00 0.00 C ATOM 961 CD2 LEU A 60 3.708 3.134 -1.324 1.00 0.00 C ATOM 0 H LEU A 60 4.908 7.324 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 60 2.209 6.135 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.175 4.646 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.595 5.535 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 60 2.451 4.841 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.115 3.069 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.121 4.562 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.131 3.180 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.068 2.475 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.159 2.569 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.493 3.540 -0.687 1.00 0.00 H new ATOM 973 N LYS A 61 1.215 7.479 -2.072 1.00 0.00 N ATOM 974 CA LYS A 61 0.597 8.306 -1.045 1.00 0.00 C ATOM 975 C LYS A 61 -0.559 7.589 -0.362 1.00 0.00 C ATOM 976 O LYS A 61 -1.149 6.662 -0.916 1.00 0.00 O ATOM 977 CB LYS A 61 0.086 9.614 -1.646 1.00 0.00 C ATOM 978 CG LYS A 61 1.179 10.600 -2.016 1.00 0.00 C ATOM 979 CD LYS A 61 0.591 11.853 -2.642 1.00 0.00 C ATOM 980 CE LYS A 61 0.049 11.574 -4.033 1.00 0.00 C ATOM 981 NZ LYS A 61 -0.754 12.709 -4.562 1.00 0.00 N ATOM 0 H LYS A 61 0.555 7.045 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 61 1.365 8.515 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.499 9.387 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.589 10.088 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.750 10.867 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.875 10.133 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.208 12.238 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.356 12.628 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.879 11.372 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.568 10.676 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.103 12.474 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.561 12.887 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.160 13.561 -4.612 1.00 0.00 H new ATOM 995 N MET A 62 -0.870 8.030 0.844 1.00 0.00 N ATOM 996 CA MET A 62 -2.016 7.529 1.583 1.00 0.00 C ATOM 997 C MET A 62 -3.206 8.465 1.360 1.00 0.00 C ATOM 998 O MET A 62 -3.035 9.578 0.862 1.00 0.00 O ATOM 999 CB MET A 62 -1.676 7.445 3.077 1.00 0.00 C ATOM 1000 CG MET A 62 -2.681 6.655 3.902 1.00 0.00 C ATOM 1001 SD MET A 62 -2.348 6.741 5.670 1.00 0.00 S ATOM 1002 CE MET A 62 -0.702 6.041 5.749 1.00 0.00 C ATOM 0 H MET A 62 -0.336 8.745 1.338 1.00 0.00 H new ATOM 0 HA MET A 62 -2.274 6.531 1.230 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.692 6.989 3.189 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.607 8.455 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.684 7.034 3.706 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.667 5.613 3.584 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.570 5.527 6.701 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.569 5.331 4.933 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.037 6.838 5.661 1.00 0.00 H new ATOM 1012 N SER A 63 -4.399 8.019 1.736 1.00 0.00 N ATOM 1013 CA SER A 63 -5.625 8.793 1.557 1.00 0.00 C ATOM 1014 C SER A 63 -5.560 10.153 2.253 1.00 0.00 C ATOM 1015 O SER A 63 -6.166 11.125 1.796 1.00 0.00 O ATOM 1016 CB SER A 63 -6.807 7.985 2.087 1.00 0.00 C ATOM 1017 OG SER A 63 -6.400 7.147 3.159 1.00 0.00 O ATOM 0 H SER A 63 -4.545 7.110 2.174 1.00 0.00 H new ATOM 0 HA SER A 63 -5.749 8.988 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.594 8.660 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.229 7.379 1.285 1.00 0.00 H new ATOM 0 HG SER A 63 -7.191 6.760 3.590 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.814 10.224 3.346 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.690 11.466 4.102 1.00 0.00 C ATOM 1025 C ASP A 64 -3.644 12.391 3.494 1.00 0.00 C ATOM 1026 O ASP A 64 -3.298 13.418 4.079 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.336 11.175 5.559 1.00 0.00 C ATOM 1028 CG ASP A 64 -5.488 10.561 6.321 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -6.348 11.320 6.815 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -5.537 9.320 6.437 1.00 0.00 O ATOM 0 H ASP A 64 -4.286 9.440 3.730 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.656 11.969 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.480 10.501 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.033 12.101 6.048 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.138 12.023 2.324 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.161 12.850 1.641 1.00 0.00 C ATOM 1037 C GLY A 65 -0.743 12.520 2.053 1.00 0.00 C ATOM 1038 O GLY A 65 0.214 13.032 1.470 1.00 0.00 O ATOM 0 H GLY A 65 -3.387 11.164 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.265 12.717 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.364 13.900 1.854 1.00 0.00 H new ATOM 1042 N THR A 66 -0.618 11.662 3.058 1.00 0.00 N ATOM 1043 CA THR A 66 0.677 11.252 3.574 1.00 0.00 C ATOM 1044 C THR A 66 1.491 10.541 2.494 1.00 0.00 C ATOM 1045 O THR A 66 1.085 9.491 1.997 1.00 0.00 O ATOM 1046 CB THR A 66 0.502 10.300 4.774 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.570 10.757 5.611 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.779 10.216 5.594 1.00 0.00 C ATOM 0 H THR A 66 -1.411 11.233 3.536 1.00 0.00 H new ATOM 0 HA THR A 66 1.206 12.150 3.892 1.00 0.00 H new ATOM 0 HB THR A 66 0.269 9.308 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.676 10.146 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.628 9.538 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.590 9.843 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.036 11.207 5.969 1.00 0.00 H new ATOM 1056 N VAL A 67 2.623 11.120 2.125 1.00 0.00 N ATOM 1057 CA VAL A 67 3.509 10.497 1.155 1.00 0.00 C ATOM 1058 C VAL A 67 4.309 9.396 1.839 1.00 0.00 C ATOM 1059 O VAL A 67 4.977 9.633 2.849 1.00 0.00 O ATOM 1060 CB VAL A 67 4.462 11.520 0.501 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.378 10.836 -0.506 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.666 12.630 -0.173 1.00 0.00 C ATOM 0 H VAL A 67 2.949 12.018 2.482 1.00 0.00 H new ATOM 0 HA VAL A 67 2.896 10.074 0.359 1.00 0.00 H new ATOM 0 HB VAL A 67 5.081 11.960 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.041 11.575 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.972 10.075 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.777 10.367 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.352 13.344 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.023 12.201 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.053 13.140 0.570 1.00 0.00 H new ATOM 1072 N LEU A 68 4.222 8.196 1.297 1.00 0.00 N ATOM 1073 CA LEU A 68 4.801 7.026 1.932 1.00 0.00 C ATOM 1074 C LEU A 68 6.231 6.791 1.456 1.00 0.00 C ATOM 1075 O LEU A 68 6.458 6.341 0.332 1.00 0.00 O ATOM 1076 CB LEU A 68 3.930 5.800 1.642 1.00 0.00 C ATOM 1077 CG LEU A 68 2.447 5.960 1.999 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.653 4.742 1.564 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.268 6.198 3.491 1.00 0.00 C ATOM 0 H LEU A 68 3.752 8.005 0.412 1.00 0.00 H new ATOM 0 HA LEU A 68 4.835 7.196 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.009 5.559 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.331 4.949 2.193 1.00 0.00 H new ATOM 0 HG LEU A 68 2.069 6.831 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.604 4.878 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.743 4.616 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.041 3.856 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.207 6.308 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.671 5.351 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.797 7.106 3.781 1.00 0.00 H new ATOM 1091 N LEU A 69 7.190 7.121 2.309 1.00 0.00 N ATOM 1092 CA LEU A 69 8.594 6.897 2.000 1.00 0.00 C ATOM 1093 C LEU A 69 9.037 5.531 2.505 1.00 0.00 C ATOM 1094 O LEU A 69 8.804 5.186 3.664 1.00 0.00 O ATOM 1095 CB LEU A 69 9.480 7.990 2.615 1.00 0.00 C ATOM 1096 CG LEU A 69 9.556 9.310 1.838 1.00 0.00 C ATOM 1097 CD1 LEU A 69 9.970 9.058 0.397 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.235 10.063 1.898 1.00 0.00 C ATOM 0 H LEU A 69 7.021 7.545 3.221 1.00 0.00 H new ATOM 0 HA LEU A 69 8.705 6.933 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.115 8.203 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.490 7.595 2.720 1.00 0.00 H new ATOM 0 HG LEU A 69 10.314 9.935 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.019 10.006 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.949 8.580 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.239 8.407 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.321 10.994 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.446 9.449 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.990 10.286 2.936 1.00 0.00 H new ATOM 1110 N PRO A 70 9.677 4.737 1.629 1.00 0.00 N ATOM 1111 CA PRO A 70 10.172 3.394 1.971 1.00 0.00 C ATOM 1112 C PRO A 70 11.201 3.406 3.105 1.00 0.00 C ATOM 1113 O PRO A 70 11.586 4.474 3.596 1.00 0.00 O ATOM 1114 CB PRO A 70 10.818 2.910 0.666 1.00 0.00 C ATOM 1115 CG PRO A 70 10.196 3.741 -0.401 1.00 0.00 C ATOM 1116 CD PRO A 70 9.955 5.082 0.225 1.00 0.00 C ATOM 0 HA PRO A 70 9.369 2.752 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.900 3.041 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.629 1.849 0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.853 3.824 -1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.264 3.298 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.823 5.734 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.116 5.601 -0.239 1.00 0.00 H new ATOM 1124 N ASN A 71 11.643 2.207 3.504 1.00 0.00 N ATOM 1125 CA ASN A 71 12.580 2.018 4.625 1.00 0.00 C ATOM 1126 C ASN A 71 11.876 2.200 5.969 1.00 0.00 C ATOM 1127 O ASN A 71 11.916 1.310 6.825 1.00 0.00 O ATOM 1128 CB ASN A 71 13.795 2.959 4.528 1.00 0.00 C ATOM 1129 CG ASN A 71 14.678 2.911 5.768 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.472 3.664 6.723 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.673 2.036 5.760 1.00 0.00 N ATOM 0 H ASN A 71 11.361 1.334 3.058 1.00 0.00 H new ATOM 0 HA ASN A 71 12.947 0.994 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.388 2.690 3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.447 3.980 4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.300 1.969 6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.812 1.429 4.952 1.00 0.00 H new ATOM 1138 N ASP A 72 11.225 3.341 6.139 1.00 0.00 N ATOM 1139 CA ASP A 72 10.521 3.652 7.375 1.00 0.00 C ATOM 1140 C ASP A 72 9.121 3.039 7.335 1.00 0.00 C ATOM 1141 O ASP A 72 8.624 2.687 6.264 1.00 0.00 O ATOM 1142 CB ASP A 72 10.442 5.175 7.559 1.00 0.00 C ATOM 1143 CG ASP A 72 10.004 5.594 8.953 1.00 0.00 C ATOM 1144 OD1 ASP A 72 9.972 4.736 9.861 1.00 0.00 O ATOM 1145 OD2 ASP A 72 9.709 6.793 9.152 1.00 0.00 O ATOM 0 H ASP A 72 11.169 4.073 5.430 1.00 0.00 H new ATOM 0 HA ASP A 72 11.063 3.230 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.419 5.610 7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.745 5.586 6.829 1.00 0.00 H new ATOM 1150 N LEU A 73 8.497 2.895 8.494 1.00 0.00 N ATOM 1151 CA LEU A 73 7.163 2.317 8.567 1.00 0.00 C ATOM 1152 C LEU A 73 6.239 3.218 9.379 1.00 0.00 C ATOM 1153 O LEU A 73 6.479 3.481 10.555 1.00 0.00 O ATOM 1154 CB LEU A 73 7.195 0.878 9.130 1.00 0.00 C ATOM 1155 CG LEU A 73 7.418 0.709 10.642 1.00 0.00 C ATOM 1156 CD1 LEU A 73 7.330 -0.760 11.022 1.00 0.00 C ATOM 1157 CD2 LEU A 73 8.761 1.266 11.078 1.00 0.00 C ATOM 0 H LEU A 73 8.891 3.169 9.394 1.00 0.00 H new ATOM 0 HA LEU A 73 6.767 2.249 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.251 0.396 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.983 0.332 8.611 1.00 0.00 H new ATOM 0 HG LEU A 73 6.636 1.270 11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.489 -0.868 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.344 -1.145 10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.093 -1.322 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.881 1.128 12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.560 0.742 10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.808 2.329 10.842 1.00 0.00 H new ATOM 1169 N TYR A 74 5.188 3.701 8.736 1.00 0.00 N ATOM 1170 CA TYR A 74 4.294 4.671 9.355 1.00 0.00 C ATOM 1171 C TYR A 74 3.101 3.973 9.994 1.00 0.00 C ATOM 1172 O TYR A 74 2.695 2.896 9.555 1.00 0.00 O ATOM 1173 CB TYR A 74 3.793 5.683 8.319 1.00 0.00 C ATOM 1174 CG TYR A 74 4.888 6.384 7.542 1.00 0.00 C ATOM 1175 CD1 TYR A 74 6.144 6.599 8.096 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.660 6.834 6.249 1.00 0.00 C ATOM 1177 CE1 TYR A 74 7.136 7.241 7.383 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.648 7.475 5.530 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.883 7.674 6.102 1.00 0.00 C ATOM 1180 OH TYR A 74 7.867 8.317 5.387 1.00 0.00 O ATOM 0 H TYR A 74 4.931 3.438 7.785 1.00 0.00 H new ATOM 0 HA TYR A 74 4.857 5.196 10.127 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.138 5.169 7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.188 6.434 8.827 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.347 6.258 9.101 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.691 6.680 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.106 7.403 7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.453 7.818 4.525 1.00 0.00 H new ATOM 0 HH TYR A 74 8.746 7.989 5.672 1.00 0.00 H new ATOM 1190 N PRO A 75 2.531 4.569 11.050 1.00 0.00 N ATOM 1191 CA PRO A 75 1.317 4.053 11.678 1.00 0.00 C ATOM 1192 C PRO A 75 0.094 4.242 10.781 1.00 0.00 C ATOM 1193 O PRO A 75 -0.049 5.271 10.114 1.00 0.00 O ATOM 1194 CB PRO A 75 1.187 4.885 12.957 1.00 0.00 C ATOM 1195 CG PRO A 75 1.925 6.148 12.671 1.00 0.00 C ATOM 1196 CD PRO A 75 3.033 5.782 11.721 1.00 0.00 C ATOM 0 HA PRO A 75 1.374 2.981 11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.142 5.083 13.194 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.615 4.363 13.813 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.264 6.893 12.229 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.326 6.581 13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.229 6.582 11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.967 5.590 12.250 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.774 3.242 10.757 1.00 0.00 N ATOM 1205 CA LEU A 76 -1.972 3.282 9.927 1.00 0.00 C ATOM 1206 C LEU A 76 -3.110 4.020 10.626 1.00 0.00 C ATOM 1207 O LEU A 76 -3.270 3.922 11.846 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.412 1.861 9.562 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.531 1.159 8.528 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.972 -0.284 8.332 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.578 1.910 7.206 1.00 0.00 C ATOM 0 H LEU A 76 -0.672 2.388 11.305 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.728 3.827 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.432 1.258 10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.433 1.899 9.182 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.505 1.154 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.331 -0.763 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.897 -0.819 9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.005 -0.305 7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.947 1.402 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.604 1.939 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.216 2.928 7.353 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.908 4.776 9.855 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.055 5.516 10.387 1.00 0.00 C ATOM 1225 C PRO A 77 -6.132 4.590 10.944 1.00 0.00 C ATOM 1226 O PRO A 77 -6.720 4.869 11.990 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.591 6.287 9.176 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.070 5.553 7.987 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.743 4.983 8.405 1.00 0.00 C ATOM 0 HA PRO A 77 -4.767 6.159 11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.681 6.314 9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.247 7.321 9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.757 4.763 7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.957 6.222 7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.525 4.049 7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.924 5.668 8.187 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.385 3.490 10.250 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.385 2.551 10.703 1.00 0.00 C ATOM 1239 C GLY A 78 -7.617 1.424 9.719 1.00 0.00 C ATOM 1240 O GLY A 78 -6.700 1.013 9.010 1.00 0.00 O ATOM 0 H GLY A 78 -5.915 3.233 9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.077 2.133 11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.323 3.079 10.872 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.854 0.944 9.676 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.228 -0.199 8.857 1.00 0.00 C ATOM 1246 C GLU A 79 -9.221 0.153 7.375 1.00 0.00 C ATOM 1247 O GLU A 79 -8.526 -0.479 6.578 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.623 -0.704 9.248 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.763 -1.106 10.711 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.012 0.067 11.646 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.962 1.232 11.193 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.262 -0.169 12.845 1.00 0.00 O ATOM 0 H GLU A 79 -9.628 1.339 10.211 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.491 -0.982 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.353 0.075 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.873 -1.561 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.584 -1.816 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.856 -1.623 11.025 1.00 0.00 H new ATOM 1259 N THR A 80 -10.008 1.154 7.008 1.00 0.00 N ATOM 1260 CA THR A 80 -10.159 1.529 5.615 1.00 0.00 C ATOM 1261 C THR A 80 -9.316 2.748 5.263 1.00 0.00 C ATOM 1262 O THR A 80 -9.511 3.837 5.809 1.00 0.00 O ATOM 1263 CB THR A 80 -11.634 1.806 5.271 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.238 2.621 6.281 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.412 0.510 5.134 1.00 0.00 C ATOM 0 H THR A 80 -10.552 1.720 7.659 1.00 0.00 H new ATOM 0 HA THR A 80 -9.807 0.684 5.023 1.00 0.00 H new ATOM 0 HB THR A 80 -11.661 2.334 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.624 3.343 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.451 0.733 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.975 -0.094 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.370 -0.041 6.074 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.373 2.557 4.354 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.558 3.650 3.853 1.00 0.00 C ATOM 1275 C PHE A 81 -7.267 3.450 2.373 1.00 0.00 C ATOM 1276 O PHE A 81 -7.387 2.339 1.848 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.259 3.791 4.659 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.456 2.525 4.782 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.745 1.601 5.774 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.406 2.267 3.916 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.007 0.442 5.895 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.661 1.110 4.036 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.962 0.198 5.027 1.00 0.00 C ATOM 0 H PHE A 81 -8.153 1.648 3.946 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.116 4.578 3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.638 4.555 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.505 4.148 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.557 1.791 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.167 2.978 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.246 -0.273 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.844 0.919 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.380 -0.707 5.123 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.897 4.523 1.697 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.692 4.480 0.258 1.00 0.00 C ATOM 1295 C ARG A 82 -5.217 4.658 -0.058 1.00 0.00 C ATOM 1296 O ARG A 82 -4.600 5.620 0.392 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.493 5.593 -0.426 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.896 5.788 0.132 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.842 4.673 -0.276 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.299 4.816 -1.657 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.581 4.836 -2.012 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -12.528 4.806 -1.080 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -11.912 4.903 -3.294 1.00 0.00 N ATOM 0 H ARG A 82 -6.732 5.436 2.121 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.032 3.513 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.944 6.530 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.566 5.371 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.847 5.840 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.293 6.742 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.341 3.712 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.704 4.667 0.392 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.595 4.906 -2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.272 4.768 -0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.511 4.821 -1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.184 4.939 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.895 4.918 -3.567 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.644 3.731 -0.805 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.258 3.859 -1.224 1.00 0.00 C ATOM 1319 C LEU A 83 -3.196 4.342 -2.666 1.00 0.00 C ATOM 1320 O LEU A 83 -3.624 3.645 -3.584 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.516 2.529 -1.076 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.417 1.999 0.356 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.652 0.687 0.386 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.752 3.025 1.266 1.00 0.00 C ATOM 0 H LEU A 83 -5.113 2.886 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.769 4.591 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.017 1.781 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.508 2.646 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.427 1.819 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.591 0.325 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.169 -0.050 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.646 0.843 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.692 2.628 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.748 3.239 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.340 3.943 1.270 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.683 5.542 -2.856 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.612 6.139 -4.179 1.00 0.00 C ATOM 1338 C TYR A 84 -1.215 6.018 -4.751 1.00 0.00 C ATOM 1339 O TYR A 84 -0.297 6.722 -4.327 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.017 7.614 -4.134 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.474 7.832 -3.813 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.434 7.797 -4.816 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -4.892 8.060 -2.510 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.769 7.983 -4.529 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.227 8.243 -2.213 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.161 8.205 -3.227 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.497 8.376 -2.938 1.00 0.00 O ATOM 0 H TYR A 84 -2.307 6.126 -2.109 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.308 5.599 -4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.409 8.126 -3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.793 8.073 -5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.129 7.621 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.161 8.095 -1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.504 7.955 -5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.538 8.415 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.004 7.605 -3.267 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.043 5.117 -5.702 1.00 0.00 N ATOM 1358 CA TYR A 85 0.221 5.011 -6.397 1.00 0.00 C ATOM 1359 C TYR A 85 0.153 5.756 -7.720 1.00 0.00 C ATOM 1360 O TYR A 85 -0.551 5.354 -8.646 1.00 0.00 O ATOM 1361 CB TYR A 85 0.629 3.553 -6.631 1.00 0.00 C ATOM 1362 CG TYR A 85 1.888 3.444 -7.460 1.00 0.00 C ATOM 1363 CD1 TYR A 85 3.101 3.913 -6.972 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.856 2.914 -8.742 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.245 3.857 -7.739 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.995 2.863 -9.517 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.186 3.332 -9.009 1.00 0.00 C ATOM 1368 OH TYR A 85 5.317 3.300 -9.785 1.00 0.00 O ATOM 0 H TYR A 85 -1.757 4.455 -6.006 1.00 0.00 H new ATOM 0 HA TYR A 85 0.983 5.464 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.783 3.061 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.182 3.025 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.149 4.328 -5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.925 2.536 -9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.182 4.223 -7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.953 2.457 -10.517 1.00 0.00 H new ATOM 0 HH TYR A 85 5.119 3.679 -10.667 1.00 0.00 H new ATOM 1378 N THR A 86 0.878 6.852 -7.796 1.00 0.00 N ATOM 1379 CA THR A 86 0.973 7.616 -9.020 1.00 0.00 C ATOM 1380 C THR A 86 2.092 7.047 -9.879 1.00 0.00 C ATOM 1381 O THR A 86 3.271 7.286 -9.611 1.00 0.00 O ATOM 1382 CB THR A 86 1.239 9.099 -8.723 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.356 9.541 -7.684 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.032 9.954 -9.967 1.00 0.00 C ATOM 0 H THR A 86 1.414 7.235 -7.017 1.00 0.00 H new ATOM 0 HA THR A 86 0.025 7.545 -9.554 1.00 0.00 H new ATOM 0 HB THR A 86 2.276 9.207 -8.404 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.525 10.487 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.227 10.999 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.716 9.628 -10.751 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.004 9.848 -10.315 1.00 0.00 H new ATOM 1392 N SER A 87 1.716 6.270 -10.881 1.00 0.00 N ATOM 1393 CA SER A 87 2.682 5.585 -11.716 1.00 0.00 C ATOM 1394 C SER A 87 3.436 6.574 -12.589 1.00 0.00 C ATOM 1395 O SER A 87 2.834 7.391 -13.288 1.00 0.00 O ATOM 1396 CB SER A 87 1.985 4.538 -12.588 1.00 0.00 C ATOM 1397 OG SER A 87 2.929 3.751 -13.293 1.00 0.00 O ATOM 0 H SER A 87 0.743 6.099 -11.135 1.00 0.00 H new ATOM 0 HA SER A 87 3.398 5.082 -11.066 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.365 3.895 -11.964 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.320 5.034 -13.295 1.00 0.00 H new ATOM 0 HG SER A 87 3.058 4.121 -14.191 1.00 0.00 H new ATOM 1403 N ALA A 88 4.754 6.506 -12.525 1.00 0.00 N ATOM 1404 CA ALA A 88 5.604 7.315 -13.376 1.00 0.00 C ATOM 1405 C ALA A 88 6.398 6.408 -14.297 1.00 0.00 C ATOM 1406 O ALA A 88 7.368 6.831 -14.925 1.00 0.00 O ATOM 1407 CB ALA A 88 6.532 8.181 -12.535 1.00 0.00 C ATOM 0 H ALA A 88 5.261 5.893 -11.886 1.00 0.00 H new ATOM 0 HA ALA A 88 4.985 7.980 -13.979 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.163 8.781 -13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.939 8.839 -11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.159 7.543 -11.912 1.00 0.00 H new ATOM 1413 N SER A 89 5.961 5.158 -14.383 1.00 0.00 N ATOM 1414 CA SER A 89 6.679 4.151 -15.140 1.00 0.00 C ATOM 1415 C SER A 89 5.738 3.328 -16.018 1.00 0.00 C ATOM 1416 O SER A 89 4.575 3.109 -15.673 1.00 0.00 O ATOM 1417 CB SER A 89 7.434 3.232 -14.181 1.00 0.00 C ATOM 1418 OG SER A 89 8.300 3.982 -13.348 1.00 0.00 O ATOM 0 H SER A 89 5.109 4.820 -13.935 1.00 0.00 H new ATOM 0 HA SER A 89 7.384 4.660 -15.797 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.725 2.675 -13.569 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.010 2.500 -14.748 1.00 0.00 H new ATOM 0 HG SER A 89 7.843 4.194 -12.507 1.00 0.00 H new ATOM 1424 N THR A 90 6.248 2.911 -17.168 1.00 0.00 N ATOM 1425 CA THR A 90 5.551 1.984 -18.039 1.00 0.00 C ATOM 1426 C THR A 90 6.284 0.640 -18.027 1.00 0.00 C ATOM 1427 O THR A 90 5.832 -0.353 -18.600 1.00 0.00 O ATOM 1428 CB THR A 90 5.500 2.534 -19.476 1.00 0.00 C ATOM 1429 OG1 THR A 90 5.244 3.947 -19.448 1.00 0.00 O ATOM 1430 CG2 THR A 90 4.415 1.844 -20.282 1.00 0.00 C ATOM 0 H THR A 90 7.158 3.208 -17.521 1.00 0.00 H new ATOM 0 HA THR A 90 4.530 1.853 -17.681 1.00 0.00 H new ATOM 0 HB THR A 90 6.463 2.342 -19.948 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.214 4.292 -20.365 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.399 2.250 -21.293 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.618 0.774 -20.324 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.448 2.012 -19.808 1.00 0.00 H new ATOM 1438 N ASP A 91 7.426 0.630 -17.348 1.00 0.00 N ATOM 1439 CA ASP A 91 8.272 -0.553 -17.270 1.00 0.00 C ATOM 1440 C ASP A 91 7.852 -1.427 -16.097 1.00 0.00 C ATOM 1441 O ASP A 91 6.776 -1.245 -15.532 1.00 0.00 O ATOM 1442 CB ASP A 91 9.743 -0.155 -17.098 1.00 0.00 C ATOM 1443 CG ASP A 91 10.255 0.744 -18.204 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.605 0.230 -19.286 1.00 0.00 O ATOM 1445 OD2 ASP A 91 10.326 1.974 -17.986 1.00 0.00 O ATOM 0 H ASP A 91 7.789 1.437 -16.840 1.00 0.00 H new ATOM 0 HA ASP A 91 8.157 -1.111 -18.200 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.865 0.353 -16.141 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.354 -1.057 -17.061 1.00 0.00 H new ATOM 1450 N GLN A 92 8.710 -2.374 -15.741 1.00 0.00 N ATOM 1451 CA GLN A 92 8.481 -3.220 -14.579 1.00 0.00 C ATOM 1452 C GLN A 92 8.554 -2.385 -13.303 1.00 0.00 C ATOM 1453 O GLN A 92 9.608 -1.852 -12.970 1.00 0.00 O ATOM 1454 CB GLN A 92 9.534 -4.330 -14.522 1.00 0.00 C ATOM 1455 CG GLN A 92 9.376 -5.266 -13.333 1.00 0.00 C ATOM 1456 CD GLN A 92 10.638 -6.055 -13.041 1.00 0.00 C ATOM 1457 OE1 GLN A 92 11.751 -5.581 -13.277 1.00 0.00 O ATOM 1458 NE2 GLN A 92 10.473 -7.264 -12.529 1.00 0.00 N ATOM 0 H GLN A 92 9.575 -2.575 -16.243 1.00 0.00 H new ATOM 0 HA GLN A 92 7.490 -3.667 -14.662 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.483 -4.914 -15.441 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.525 -3.877 -14.487 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.103 -4.685 -12.452 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.556 -5.958 -13.526 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.533 -7.618 -12.349 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.285 -7.842 -12.314 1.00 0.00 H new ATOM 1467 N GLN A 93 7.438 -2.253 -12.610 1.00 0.00 N ATOM 1468 CA GLN A 93 7.416 -1.524 -11.351 1.00 0.00 C ATOM 1469 C GLN A 93 6.950 -2.429 -10.219 1.00 0.00 C ATOM 1470 O GLN A 93 5.791 -2.842 -10.178 1.00 0.00 O ATOM 1471 CB GLN A 93 6.505 -0.302 -11.467 1.00 0.00 C ATOM 1472 CG GLN A 93 6.278 0.428 -10.152 1.00 0.00 C ATOM 1473 CD GLN A 93 7.540 1.051 -9.576 1.00 0.00 C ATOM 1474 OE1 GLN A 93 8.450 1.451 -10.300 1.00 0.00 O ATOM 1475 NE2 GLN A 93 7.592 1.144 -8.259 1.00 0.00 N ATOM 0 H GLN A 93 6.537 -2.638 -12.894 1.00 0.00 H new ATOM 0 HA GLN A 93 8.428 -1.186 -11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.937 0.393 -12.187 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.541 -0.617 -11.867 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.534 1.210 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.863 -0.270 -9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.816 0.801 -7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.408 1.559 -7.809 1.00 0.00 H new ATOM 1484 N THR A 94 7.853 -2.744 -9.309 1.00 0.00 N ATOM 1485 CA THR A 94 7.516 -3.587 -8.177 1.00 0.00 C ATOM 1486 C THR A 94 7.450 -2.771 -6.887 1.00 0.00 C ATOM 1487 O THR A 94 8.379 -2.032 -6.557 1.00 0.00 O ATOM 1488 CB THR A 94 8.534 -4.732 -8.017 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.657 -5.443 -9.255 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.110 -5.697 -6.920 1.00 0.00 C ATOM 0 H THR A 94 8.823 -2.430 -9.331 1.00 0.00 H new ATOM 0 HA THR A 94 6.533 -4.017 -8.371 1.00 0.00 H new ATOM 0 HB THR A 94 9.494 -4.297 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.306 -6.170 -9.152 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.848 -6.494 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.037 -5.162 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.140 -6.127 -7.169 1.00 0.00 H new ATOM 1498 N VAL A 95 6.334 -2.892 -6.183 1.00 0.00 N ATOM 1499 CA VAL A 95 6.147 -2.223 -4.904 1.00 0.00 C ATOM 1500 C VAL A 95 5.821 -3.246 -3.822 1.00 0.00 C ATOM 1501 O VAL A 95 4.801 -3.936 -3.900 1.00 0.00 O ATOM 1502 CB VAL A 95 5.004 -1.181 -4.958 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.925 -0.393 -3.659 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.170 -0.242 -6.143 1.00 0.00 C ATOM 0 H VAL A 95 5.536 -3.454 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 95 7.078 -1.706 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 95 4.068 -1.724 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.114 0.333 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.737 -1.076 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.867 0.129 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.352 0.478 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.119 0.288 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.158 -0.818 -7.068 1.00 0.00 H new ATOM 1514 N ASP A 96 6.690 -3.355 -2.832 1.00 0.00 N ATOM 1515 CA ASP A 96 6.462 -4.260 -1.715 1.00 0.00 C ATOM 1516 C ASP A 96 5.889 -3.497 -0.530 1.00 0.00 C ATOM 1517 O ASP A 96 6.538 -2.601 0.017 1.00 0.00 O ATOM 1518 CB ASP A 96 7.759 -4.959 -1.302 1.00 0.00 C ATOM 1519 CG ASP A 96 8.250 -5.952 -2.335 1.00 0.00 C ATOM 1520 OD1 ASP A 96 7.847 -7.135 -2.272 1.00 0.00 O ATOM 1521 OD2 ASP A 96 9.060 -5.565 -3.202 1.00 0.00 O ATOM 0 H ASP A 96 7.562 -2.828 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 96 5.748 -5.018 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.531 -4.209 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.601 -5.476 -0.355 1.00 0.00 H new ATOM 1526 N VAL A 97 4.669 -3.839 -0.149 1.00 0.00 N ATOM 1527 CA VAL A 97 4.005 -3.181 0.965 1.00 0.00 C ATOM 1528 C VAL A 97 3.923 -4.123 2.167 1.00 0.00 C ATOM 1529 O VAL A 97 3.374 -5.220 2.069 1.00 0.00 O ATOM 1530 CB VAL A 97 2.586 -2.719 0.575 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.964 -1.892 1.688 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.613 -1.930 -0.727 1.00 0.00 C ATOM 0 H VAL A 97 4.117 -4.571 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 97 4.595 -2.304 1.231 1.00 0.00 H new ATOM 0 HB VAL A 97 1.971 -3.606 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.964 -1.577 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.901 -2.492 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.580 -1.013 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.601 -1.615 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.248 -1.052 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.009 -2.558 -1.525 1.00 0.00 H new ATOM 1542 N TYR A 98 4.476 -3.698 3.293 1.00 0.00 N ATOM 1543 CA TYR A 98 4.524 -4.534 4.487 1.00 0.00 C ATOM 1544 C TYR A 98 3.572 -4.010 5.554 1.00 0.00 C ATOM 1545 O TYR A 98 3.654 -2.851 5.948 1.00 0.00 O ATOM 1546 CB TYR A 98 5.948 -4.570 5.050 1.00 0.00 C ATOM 1547 CG TYR A 98 6.996 -5.004 4.051 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.324 -6.343 3.897 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.658 -4.072 3.260 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.283 -6.741 2.987 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.616 -4.463 2.348 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.924 -5.798 2.215 1.00 0.00 C ATOM 1553 OH TYR A 98 9.882 -6.189 1.309 1.00 0.00 O ATOM 0 H TYR A 98 4.899 -2.777 3.407 1.00 0.00 H new ATOM 0 HA TYR A 98 4.218 -5.542 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.205 -3.578 5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.973 -5.247 5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.821 -7.086 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.418 -3.024 3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.529 -7.787 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.122 -3.726 1.742 1.00 0.00 H new ATOM 0 HH TYR A 98 10.235 -5.401 0.845 1.00 0.00 H new ATOM 1563 N PHE A 99 2.676 -4.865 6.021 1.00 0.00 N ATOM 1564 CA PHE A 99 1.758 -4.503 7.093 1.00 0.00 C ATOM 1565 C PHE A 99 2.119 -5.251 8.370 1.00 0.00 C ATOM 1566 O PHE A 99 2.024 -6.477 8.421 1.00 0.00 O ATOM 1567 CB PHE A 99 0.318 -4.829 6.701 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.197 -4.033 5.538 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.735 -2.772 5.733 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.153 -4.547 4.253 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.218 -2.038 4.668 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.634 -3.815 3.184 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.167 -2.559 3.391 1.00 0.00 C ATOM 0 H PHE A 99 2.564 -5.818 5.674 1.00 0.00 H new ATOM 0 HA PHE A 99 1.843 -3.430 7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.250 -5.890 6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.329 -4.656 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.777 -2.358 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.261 -5.530 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.636 -1.056 4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.593 -4.226 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.543 -1.986 2.557 1.00 0.00 H new ATOM 1583 N GLN A 100 2.542 -4.516 9.388 1.00 0.00 N ATOM 1584 CA GLN A 100 2.948 -5.115 10.651 1.00 0.00 C ATOM 1585 C GLN A 100 1.910 -4.845 11.737 1.00 0.00 C ATOM 1586 O GLN A 100 1.623 -3.691 12.065 1.00 0.00 O ATOM 1587 CB GLN A 100 4.322 -4.577 11.063 1.00 0.00 C ATOM 1588 CG GLN A 100 4.833 -5.111 12.391 1.00 0.00 C ATOM 1589 CD GLN A 100 6.300 -4.792 12.614 1.00 0.00 C ATOM 1590 OE1 GLN A 100 7.177 -5.589 12.270 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.578 -3.623 13.174 1.00 0.00 N ATOM 0 H GLN A 100 2.613 -3.499 9.363 1.00 0.00 H new ATOM 0 HA GLN A 100 3.019 -6.195 10.521 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.044 -4.824 10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.271 -3.490 11.118 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.243 -4.685 13.203 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.689 -6.191 12.425 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.822 -2.994 13.443 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.548 -3.353 13.336 1.00 0.00 H new ATOM 1600 N ASP A 101 1.349 -5.920 12.270 1.00 0.00 N ATOM 1601 CA ASP A 101 0.326 -5.842 13.309 1.00 0.00 C ATOM 1602 C ASP A 101 0.918 -6.182 14.682 1.00 0.00 C ATOM 1603 O ASP A 101 2.003 -6.762 14.775 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.830 -6.792 12.958 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.734 -7.093 14.135 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -2.417 -6.169 14.623 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.732 -8.249 14.593 1.00 0.00 O ATOM 0 H ASP A 101 1.588 -6.873 11.996 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.056 -4.822 13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.423 -6.352 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.420 -7.726 12.575 1.00 0.00 H new ATOM 1612 N SER A 102 0.193 -5.837 15.742 1.00 0.00 N ATOM 1613 CA SER A 102 0.675 -5.999 17.106 1.00 0.00 C ATOM 1614 C SER A 102 0.669 -7.468 17.550 1.00 0.00 C ATOM 1615 O SER A 102 1.323 -7.824 18.533 1.00 0.00 O ATOM 1616 CB SER A 102 -0.176 -5.151 18.059 1.00 0.00 C ATOM 1617 OG SER A 102 0.330 -5.196 19.384 1.00 0.00 O ATOM 0 H SER A 102 -0.744 -5.438 15.678 1.00 0.00 H new ATOM 0 HA SER A 102 1.710 -5.658 17.136 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.196 -4.118 17.710 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.205 -5.511 18.048 1.00 0.00 H new ATOM 0 HG SER A 102 0.787 -6.050 19.531 1.00 0.00 H new ATOM 1623 N PHE A 103 -0.056 -8.326 16.836 1.00 0.00 N ATOM 1624 CA PHE A 103 -0.083 -9.748 17.170 1.00 0.00 C ATOM 1625 C PHE A 103 1.103 -10.477 16.548 1.00 0.00 C ATOM 1626 O PHE A 103 1.207 -11.701 16.628 1.00 0.00 O ATOM 1627 CB PHE A 103 -1.394 -10.401 16.723 1.00 0.00 C ATOM 1628 CG PHE A 103 -2.567 -10.065 17.602 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -2.789 -10.768 18.777 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -3.446 -9.051 17.260 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -3.865 -10.465 19.590 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -4.523 -8.745 18.070 1.00 0.00 C ATOM 1633 CZ PHE A 103 -4.732 -9.452 19.235 1.00 0.00 C ATOM 0 H PHE A 103 -0.627 -8.066 16.031 1.00 0.00 H new ATOM 0 HA PHE A 103 -0.013 -9.828 18.255 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.615 -10.089 15.702 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.263 -11.483 16.705 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.113 -11.561 19.060 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.288 -8.493 16.349 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.027 -11.020 20.502 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.201 -7.952 17.790 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.573 -9.213 19.869 1.00 0.00 H new ATOM 1643 N GLY A 104 2.003 -9.718 15.936 1.00 0.00 N ATOM 1644 CA GLY A 104 3.176 -10.306 15.325 1.00 0.00 C ATOM 1645 C GLY A 104 2.952 -10.621 13.864 1.00 0.00 C ATOM 1646 O GLY A 104 3.843 -11.132 13.182 1.00 0.00 O ATOM 0 H GLY A 104 1.940 -8.703 15.853 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.019 -9.622 15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.443 -11.219 15.857 1.00 0.00 H new ATOM 1650 N GLN A 105 1.756 -10.311 13.385 1.00 0.00 N ATOM 1651 CA GLN A 105 1.392 -10.567 12.005 1.00 0.00 C ATOM 1652 C GLN A 105 2.088 -9.581 11.074 1.00 0.00 C ATOM 1653 O GLN A 105 2.015 -8.370 11.266 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.127 -10.475 11.836 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.599 -10.657 10.403 1.00 0.00 C ATOM 1656 CD GLN A 105 -0.215 -12.005 9.821 1.00 0.00 C ATOM 1657 OE1 GLN A 105 0.853 -12.163 9.233 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -1.087 -12.986 9.986 1.00 0.00 N ATOM 0 H GLN A 105 1.018 -9.878 13.940 1.00 0.00 H new ATOM 0 HA GLN A 105 1.716 -11.574 11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.599 -11.232 12.463 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.465 -9.504 12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.683 -10.546 10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.177 -9.866 9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.962 -12.813 10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.884 -13.916 9.619 1.00 0.00 H new ATOM 1667 N LEU A 106 2.782 -10.107 10.082 1.00 0.00 N ATOM 1668 CA LEU A 106 3.394 -9.277 9.065 1.00 0.00 C ATOM 1669 C LEU A 106 2.952 -9.750 7.690 1.00 0.00 C ATOM 1670 O LEU A 106 3.267 -10.868 7.273 1.00 0.00 O ATOM 1671 CB LEU A 106 4.919 -9.315 9.181 1.00 0.00 C ATOM 1672 CG LEU A 106 5.676 -8.461 8.159 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.335 -6.988 8.316 1.00 0.00 C ATOM 1674 CD2 LEU A 106 7.170 -8.671 8.302 1.00 0.00 C ATOM 0 H LEU A 106 2.935 -11.108 9.960 1.00 0.00 H new ATOM 0 HA LEU A 106 3.072 -8.245 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.199 -8.987 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.249 -10.349 9.081 1.00 0.00 H new ATOM 0 HG LEU A 106 5.368 -8.776 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.887 -6.406 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.265 -6.844 8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.608 -6.656 9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.695 -8.058 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.483 -8.385 9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.408 -9.721 8.133 1.00 0.00 H new ATOM 1686 N GLN A 107 2.225 -8.897 6.995 1.00 0.00 N ATOM 1687 CA GLN A 107 1.717 -9.220 5.675 1.00 0.00 C ATOM 1688 C GLN A 107 2.429 -8.400 4.622 1.00 0.00 C ATOM 1689 O GLN A 107 2.277 -7.182 4.563 1.00 0.00 O ATOM 1690 CB GLN A 107 0.212 -8.962 5.598 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.630 -10.042 6.257 1.00 0.00 C ATOM 1692 CD GLN A 107 -0.526 -11.372 5.536 1.00 0.00 C ATOM 1693 OE1 GLN A 107 0.328 -12.197 5.846 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -1.398 -11.586 4.560 1.00 0.00 N ATOM 0 H GLN A 107 1.971 -7.966 7.326 1.00 0.00 H new ATOM 0 HA GLN A 107 1.902 -10.278 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.008 -8.004 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.079 -8.875 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.312 -10.166 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.672 -9.724 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.093 -10.875 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.374 -12.461 4.037 1.00 0.00 H new ATOM 1703 N GLN A 108 3.229 -9.066 3.811 1.00 0.00 N ATOM 1704 CA GLN A 108 3.915 -8.397 2.727 1.00 0.00 C ATOM 1705 C GLN A 108 3.176 -8.623 1.415 1.00 0.00 C ATOM 1706 O GLN A 108 3.086 -9.746 0.917 1.00 0.00 O ATOM 1707 CB GLN A 108 5.374 -8.861 2.633 1.00 0.00 C ATOM 1708 CG GLN A 108 5.555 -10.368 2.540 1.00 0.00 C ATOM 1709 CD GLN A 108 7.015 -10.771 2.577 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.841 -10.097 3.194 1.00 0.00 O ATOM 1711 NE2 GLN A 108 7.347 -11.869 1.920 1.00 0.00 N ATOM 0 H GLN A 108 3.418 -10.066 3.883 1.00 0.00 H new ATOM 0 HA GLN A 108 3.925 -7.326 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.833 -8.399 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.914 -8.497 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.026 -10.848 3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.103 -10.731 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.633 -12.400 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.317 -12.185 1.912 1.00 0.00 H new ATOM 1720 N LEU A 109 2.612 -7.554 0.888 1.00 0.00 N ATOM 1721 CA LEU A 109 1.903 -7.608 -0.377 1.00 0.00 C ATOM 1722 C LEU A 109 2.792 -7.054 -1.480 1.00 0.00 C ATOM 1723 O LEU A 109 3.122 -5.865 -1.485 1.00 0.00 O ATOM 1724 CB LEU A 109 0.598 -6.805 -0.302 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.371 -7.216 0.814 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.600 -6.323 0.807 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.784 -8.674 0.670 1.00 0.00 C ATOM 0 H LEU A 109 2.631 -6.630 1.320 1.00 0.00 H new ATOM 0 HA LEU A 109 1.653 -8.646 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.848 -5.752 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.082 -6.895 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 109 0.146 -7.098 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.277 -6.629 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.298 -5.287 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.108 -6.411 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.471 -8.939 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.277 -8.819 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.100 -9.310 0.724 1.00 0.00 H new ATOM 1739 N THR A 110 3.195 -7.916 -2.394 1.00 0.00 N ATOM 1740 CA THR A 110 4.066 -7.517 -3.479 1.00 0.00 C ATOM 1741 C THR A 110 3.256 -7.242 -4.741 1.00 0.00 C ATOM 1742 O THR A 110 2.638 -8.146 -5.308 1.00 0.00 O ATOM 1743 CB THR A 110 5.122 -8.604 -3.766 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.845 -8.917 -2.564 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.095 -8.147 -4.841 1.00 0.00 C ATOM 0 H THR A 110 2.931 -8.901 -2.405 1.00 0.00 H new ATOM 0 HA THR A 110 4.578 -6.603 -3.177 1.00 0.00 H new ATOM 0 HB THR A 110 4.604 -9.494 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.494 -8.206 -2.378 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.829 -8.931 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.549 -7.939 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.605 -7.243 -4.509 1.00 0.00 H new ATOM 1753 N PHE A 111 3.243 -5.988 -5.168 1.00 0.00 N ATOM 1754 CA PHE A 111 2.555 -5.611 -6.391 1.00 0.00 C ATOM 1755 C PHE A 111 3.570 -5.265 -7.466 1.00 0.00 C ATOM 1756 O PHE A 111 4.356 -4.336 -7.307 1.00 0.00 O ATOM 1757 CB PHE A 111 1.630 -4.410 -6.156 1.00 0.00 C ATOM 1758 CG PHE A 111 0.539 -4.660 -5.152 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.639 -5.286 -5.528 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.690 -4.262 -3.836 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.645 -5.510 -4.607 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.312 -4.482 -2.910 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.481 -5.106 -3.296 1.00 0.00 C ATOM 0 H PHE A 111 3.701 -5.215 -4.685 1.00 0.00 H new ATOM 0 HA PHE A 111 1.948 -6.457 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.230 -3.564 -5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.177 -4.124 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.772 -5.602 -6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.602 -3.773 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.558 -6.000 -4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.180 -4.166 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.266 -5.278 -2.575 1.00 0.00 H new ATOM 1773 N SER A 112 3.558 -6.007 -8.556 1.00 0.00 N ATOM 1774 CA SER A 112 4.470 -5.741 -9.650 1.00 0.00 C ATOM 1775 C SER A 112 3.673 -5.434 -10.910 1.00 0.00 C ATOM 1776 O SER A 112 2.927 -6.275 -11.413 1.00 0.00 O ATOM 1777 CB SER A 112 5.414 -6.929 -9.869 1.00 0.00 C ATOM 1778 OG SER A 112 6.494 -6.580 -10.719 1.00 0.00 O ATOM 0 H SER A 112 2.929 -6.796 -8.707 1.00 0.00 H new ATOM 0 HA SER A 112 5.085 -4.875 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.800 -7.271 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.860 -7.761 -10.304 1.00 0.00 H new ATOM 0 HG SER A 112 7.218 -6.191 -10.185 1.00 0.00 H new ATOM 1784 N PHE A 113 3.811 -4.211 -11.390 1.00 0.00 N ATOM 1785 CA PHE A 113 3.073 -3.753 -12.552 1.00 0.00 C ATOM 1786 C PHE A 113 3.947 -3.830 -13.794 1.00 0.00 C ATOM 1787 O PHE A 113 4.894 -3.057 -13.946 1.00 0.00 O ATOM 1788 CB PHE A 113 2.587 -2.314 -12.347 1.00 0.00 C ATOM 1789 CG PHE A 113 1.775 -2.119 -11.098 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.434 -2.462 -11.065 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.357 -1.589 -9.958 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.313 -2.280 -9.917 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.615 -1.405 -8.807 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.278 -1.752 -8.786 1.00 0.00 C ATOM 0 H PHE A 113 4.434 -3.511 -10.987 1.00 0.00 H new ATOM 0 HA PHE A 113 2.206 -4.400 -12.685 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.451 -1.650 -12.315 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.989 -2.017 -13.208 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.033 -2.876 -11.946 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.402 -1.317 -9.969 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.358 -2.550 -9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.080 -0.990 -7.925 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.304 -1.611 -7.887 1.00 0.00 H new ATOM 1804 N ASN A 114 3.642 -4.781 -14.662 1.00 0.00 N ATOM 1805 CA ASN A 114 4.341 -4.912 -15.930 1.00 0.00 C ATOM 1806 C ASN A 114 3.476 -5.696 -16.907 1.00 0.00 C ATOM 1807 O ASN A 114 2.685 -6.553 -16.501 1.00 0.00 O ATOM 1808 CB ASN A 114 5.703 -5.589 -15.737 1.00 0.00 C ATOM 1809 CG ASN A 114 6.597 -5.459 -16.960 1.00 0.00 C ATOM 1810 OD1 ASN A 114 6.417 -4.559 -17.784 1.00 0.00 O ATOM 1811 ND2 ASN A 114 7.580 -6.335 -17.074 1.00 0.00 N ATOM 0 H ASN A 114 2.911 -5.477 -14.510 1.00 0.00 H new ATOM 0 HA ASN A 114 4.525 -3.918 -16.339 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.205 -5.149 -14.876 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.552 -6.645 -15.512 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.222 -6.281 -17.864 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.696 -7.065 -16.372 1.00 0.00 H new ATOM 1818 N ASN A 115 3.628 -5.407 -18.189 1.00 0.00 N ATOM 1819 CA ASN A 115 2.741 -5.956 -19.210 1.00 0.00 C ATOM 1820 C ASN A 115 3.157 -7.363 -19.626 1.00 0.00 C ATOM 1821 O ASN A 115 2.495 -7.994 -20.450 1.00 0.00 O ATOM 1822 CB ASN A 115 2.693 -5.031 -20.436 1.00 0.00 C ATOM 1823 CG ASN A 115 4.020 -4.928 -21.166 1.00 0.00 C ATOM 1824 OD1 ASN A 115 5.087 -5.056 -20.570 1.00 0.00 O ATOM 1825 ND2 ASN A 115 3.957 -4.680 -22.463 1.00 0.00 N ATOM 0 H ASN A 115 4.358 -4.794 -18.551 1.00 0.00 H new ATOM 0 HA ASN A 115 1.744 -6.021 -18.774 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.934 -5.396 -21.128 1.00 0.00 H new ATOM 0 HB3 ASN A 115 2.383 -4.035 -20.119 1.00 0.00 H new ATOM 0 HD21 ASN A 115 4.815 -4.588 -23.007 1.00 0.00 H new ATOM 0 HD22 ASN A 115 3.050 -4.581 -22.920 1.00 0.00 H new ATOM 1832 N ASP A 116 4.236 -7.863 -19.042 1.00 0.00 N ATOM 1833 CA ASP A 116 4.723 -9.200 -19.361 1.00 0.00 C ATOM 1834 C ASP A 116 3.959 -10.248 -18.559 1.00 0.00 C ATOM 1835 O ASP A 116 4.087 -11.445 -18.804 1.00 0.00 O ATOM 1836 CB ASP A 116 6.218 -9.321 -19.055 1.00 0.00 C ATOM 1837 CG ASP A 116 6.483 -9.713 -17.615 1.00 0.00 C ATOM 1838 OD1 ASP A 116 6.273 -8.875 -16.719 1.00 0.00 O ATOM 1839 OD2 ASP A 116 6.887 -10.871 -17.373 1.00 0.00 O ATOM 0 H ASP A 116 4.791 -7.365 -18.346 1.00 0.00 H new ATOM 0 HA ASP A 116 4.563 -9.370 -20.426 1.00 0.00 H new ATOM 0 HB2 ASP A 116 6.663 -10.063 -19.718 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.707 -8.370 -19.266 1.00 0.00 H new ATOM 1844 N SER A 117 3.170 -9.777 -17.596 1.00 0.00 N ATOM 1845 CA SER A 117 2.413 -10.653 -16.714 1.00 0.00 C ATOM 1846 C SER A 117 1.461 -11.542 -17.512 1.00 0.00 C ATOM 1847 O SER A 117 1.237 -12.704 -17.163 1.00 0.00 O ATOM 1848 CB SER A 117 1.635 -9.813 -15.694 1.00 0.00 C ATOM 1849 OG SER A 117 1.045 -10.620 -14.687 1.00 0.00 O ATOM 0 H SER A 117 3.040 -8.783 -17.408 1.00 0.00 H new ATOM 0 HA SER A 117 3.111 -11.302 -16.185 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.306 -9.089 -15.232 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.858 -9.246 -16.207 1.00 0.00 H new ATOM 0 HG SER A 117 0.559 -10.051 -14.054 1.00 0.00 H new ATOM 1855 N SER A 118 0.926 -11.003 -18.594 1.00 0.00 N ATOM 1856 CA SER A 118 0.001 -11.746 -19.430 1.00 0.00 C ATOM 1857 C SER A 118 0.325 -11.548 -20.905 1.00 0.00 C ATOM 1858 O SER A 118 0.213 -10.440 -21.431 1.00 0.00 O ATOM 1859 CB SER A 118 -1.435 -11.314 -19.133 1.00 0.00 C ATOM 1860 OG SER A 118 -1.577 -9.909 -19.258 1.00 0.00 O ATOM 0 H SER A 118 1.117 -10.053 -18.914 1.00 0.00 H new ATOM 0 HA SER A 118 0.104 -12.807 -19.203 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.119 -11.815 -19.818 1.00 0.00 H new ATOM 0 HB3 SER A 118 -1.711 -11.623 -18.125 1.00 0.00 H new ATOM 0 HG SER A 118 -1.051 -9.594 -20.023 1.00 0.00 H new ATOM 1866 N LYS A 119 0.751 -12.618 -21.553 1.00 0.00 N ATOM 1867 CA LYS A 119 1.036 -12.591 -22.975 1.00 0.00 C ATOM 1868 C LYS A 119 0.291 -13.725 -23.668 1.00 0.00 C ATOM 1869 O LYS A 119 0.127 -14.802 -23.090 1.00 0.00 O ATOM 1870 CB LYS A 119 2.546 -12.694 -23.215 1.00 0.00 C ATOM 1871 CG LYS A 119 3.193 -13.915 -22.580 1.00 0.00 C ATOM 1872 CD LYS A 119 4.710 -13.853 -22.669 1.00 0.00 C ATOM 1873 CE LYS A 119 5.275 -12.735 -21.805 1.00 0.00 C ATOM 1874 NZ LYS A 119 6.753 -12.632 -21.928 1.00 0.00 N ATOM 0 H LYS A 119 0.908 -13.524 -21.111 1.00 0.00 H new ATOM 0 HA LYS A 119 0.694 -11.645 -23.395 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.732 -12.715 -24.289 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.027 -11.797 -22.825 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.892 -13.985 -21.535 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.835 -14.817 -23.076 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.133 -14.807 -22.354 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.009 -13.699 -23.706 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.820 -11.788 -22.094 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.009 -12.912 -20.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.099 -11.859 -21.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.190 -13.527 -21.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.006 -12.438 -22.918 1.00 0.00 H new ATOM 1888 N GLU A 120 -0.176 -13.466 -24.891 1.00 0.00 N ATOM 1889 CA GLU A 120 -1.002 -14.419 -25.636 1.00 0.00 C ATOM 1890 C GLU A 120 -2.308 -14.699 -24.892 1.00 0.00 C ATOM 1891 O GLU A 120 -2.882 -15.783 -25.004 1.00 0.00 O ATOM 1892 CB GLU A 120 -0.252 -15.734 -25.886 1.00 0.00 C ATOM 1893 CG GLU A 120 0.892 -15.613 -26.877 1.00 0.00 C ATOM 1894 CD GLU A 120 1.475 -16.961 -27.253 1.00 0.00 C ATOM 1895 OE1 GLU A 120 0.780 -17.747 -27.935 1.00 0.00 O ATOM 1896 OE2 GLU A 120 2.634 -17.242 -26.881 1.00 0.00 O ATOM 0 H GLU A 120 0.006 -12.596 -25.391 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.232 -13.967 -26.601 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.139 -16.103 -24.938 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.958 -16.480 -26.251 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.538 -15.109 -27.777 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.676 -14.988 -26.449 1.00 0.00 H new ATOM 1903 N GLU A 121 -2.786 -13.709 -24.151 1.00 0.00 N ATOM 1904 CA GLU A 121 -4.007 -13.859 -23.379 1.00 0.00 C ATOM 1905 C GLU A 121 -4.990 -12.741 -23.739 1.00 0.00 C ATOM 1906 O GLU A 121 -4.673 -11.886 -24.570 1.00 0.00 O ATOM 1907 CB GLU A 121 -3.677 -13.858 -21.880 1.00 0.00 C ATOM 1908 CG GLU A 121 -4.813 -14.344 -20.990 1.00 0.00 C ATOM 1909 CD GLU A 121 -5.392 -15.667 -21.451 1.00 0.00 C ATOM 1910 OE1 GLU A 121 -4.788 -16.722 -21.169 1.00 0.00 O ATOM 1911 OE2 GLU A 121 -6.453 -15.655 -22.114 1.00 0.00 O ATOM 0 H GLU A 121 -2.345 -12.793 -24.070 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.480 -14.811 -23.619 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.804 -14.488 -21.711 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -3.403 -12.846 -21.580 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -4.449 -14.448 -19.968 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.603 -13.593 -20.973 1.00 0.00 H new ATOM 1918 N GLU A 122 -6.172 -12.760 -23.114 1.00 0.00 N ATOM 1919 CA GLU A 122 -7.257 -11.825 -23.420 1.00 0.00 C ATOM 1920 C GLU A 122 -7.840 -12.115 -24.798 1.00 0.00 C ATOM 1921 O GLU A 122 -7.565 -11.414 -25.776 1.00 0.00 O ATOM 1922 CB GLU A 122 -6.812 -10.360 -23.317 1.00 0.00 C ATOM 1923 CG GLU A 122 -6.522 -9.909 -21.895 1.00 0.00 C ATOM 1924 CD GLU A 122 -6.166 -8.441 -21.815 1.00 0.00 C ATOM 1925 OE1 GLU A 122 -7.078 -7.595 -21.926 1.00 0.00 O ATOM 1926 OE2 GLU A 122 -4.974 -8.121 -21.630 1.00 0.00 O ATOM 0 H GLU A 122 -6.403 -13.428 -22.378 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.032 -11.976 -22.669 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.918 -10.218 -23.924 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -7.589 -9.723 -23.740 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.394 -10.103 -21.271 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.702 -10.501 -21.489 1.00 0.00 H new ATOM 1933 N LEU A 123 -8.625 -13.178 -24.869 1.00 0.00 N ATOM 1934 CA LEU A 123 -9.272 -13.577 -26.109 1.00 0.00 C ATOM 1935 C LEU A 123 -10.777 -13.700 -25.898 1.00 0.00 C ATOM 1936 O LEU A 123 -11.563 -13.375 -26.791 1.00 0.00 O ATOM 1937 CB LEU A 123 -8.694 -14.909 -26.602 1.00 0.00 C ATOM 1938 CG LEU A 123 -9.256 -15.420 -27.931 1.00 0.00 C ATOM 1939 CD1 LEU A 123 -8.905 -14.465 -29.062 1.00 0.00 C ATOM 1940 CD2 LEU A 123 -8.728 -16.817 -28.229 1.00 0.00 C ATOM 0 H LEU A 123 -8.831 -13.785 -24.075 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.085 -12.815 -26.865 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.614 -14.802 -26.702 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.870 -15.666 -25.838 1.00 0.00 H new ATOM 0 HG LEU A 123 -10.342 -15.471 -27.849 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.313 -14.845 -29.999 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.329 -13.483 -28.854 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -7.821 -14.382 -29.145 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.137 -17.166 -29.177 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.640 -16.789 -28.291 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -9.028 -17.497 -27.432 1.00 0.00 H new ATOM 1952 N GLU A 124 -11.156 -14.155 -24.699 1.00 0.00 N ATOM 1953 CA GLU A 124 -12.556 -14.352 -24.326 1.00 0.00 C ATOM 1954 C GLU A 124 -13.206 -15.427 -25.191 1.00 0.00 C ATOM 1955 O GLU A 124 -13.615 -15.175 -26.326 1.00 0.00 O ATOM 1956 CB GLU A 124 -13.338 -13.037 -24.399 1.00 0.00 C ATOM 1957 CG GLU A 124 -12.867 -11.998 -23.391 1.00 0.00 C ATOM 1958 CD GLU A 124 -12.926 -12.510 -21.966 1.00 0.00 C ATOM 1959 OE1 GLU A 124 -14.027 -12.499 -21.370 1.00 0.00 O ATOM 1960 OE2 GLU A 124 -11.881 -12.938 -21.435 1.00 0.00 O ATOM 0 H GLU A 124 -10.496 -14.397 -23.960 1.00 0.00 H new ATOM 0 HA GLU A 124 -12.581 -14.695 -23.292 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -13.248 -12.625 -25.404 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -14.395 -13.242 -24.232 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -11.844 -11.704 -23.627 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -13.484 -11.104 -23.479 1.00 0.00 H new ATOM 1967 N HIS A 125 -13.285 -16.630 -24.632 1.00 0.00 N ATOM 1968 CA HIS A 125 -13.788 -17.804 -25.342 1.00 0.00 C ATOM 1969 C HIS A 125 -15.149 -17.553 -25.988 1.00 0.00 C ATOM 1970 O HIS A 125 -16.102 -17.114 -25.331 1.00 0.00 O ATOM 1971 CB HIS A 125 -13.852 -19.021 -24.402 1.00 0.00 C ATOM 1972 CG HIS A 125 -14.707 -18.830 -23.180 1.00 0.00 C ATOM 1973 ND1 HIS A 125 -14.243 -18.258 -22.015 1.00 0.00 N ATOM 1974 CD2 HIS A 125 -16.003 -19.148 -22.946 1.00 0.00 C ATOM 1975 CE1 HIS A 125 -15.212 -18.235 -21.120 1.00 0.00 C ATOM 1976 NE2 HIS A 125 -16.289 -18.768 -21.660 1.00 0.00 N ATOM 0 H HIS A 125 -13.001 -16.820 -23.671 1.00 0.00 H new ATOM 0 HA HIS A 125 -13.085 -18.016 -26.147 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -14.230 -19.876 -24.963 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -12.840 -19.271 -24.084 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -16.684 -19.614 -23.643 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -15.135 -17.846 -20.116 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -17.190 -18.880 -21.196 1.00 0.00 H new ATOM 1985 N HIS A 126 -15.209 -17.827 -27.288 1.00 0.00 N ATOM 1986 CA HIS A 126 -16.431 -17.720 -28.080 1.00 0.00 C ATOM 1987 C HIS A 126 -17.057 -16.332 -27.952 1.00 0.00 C ATOM 1988 O HIS A 126 -18.253 -16.201 -27.678 1.00 0.00 O ATOM 1989 CB HIS A 126 -17.425 -18.811 -27.671 1.00 0.00 C ATOM 1990 CG HIS A 126 -18.559 -18.989 -28.636 1.00 0.00 C ATOM 1991 ND1 HIS A 126 -19.857 -18.633 -28.343 1.00 0.00 N ATOM 1992 CD2 HIS A 126 -18.585 -19.497 -29.893 1.00 0.00 C ATOM 1993 CE1 HIS A 126 -20.631 -18.914 -29.371 1.00 0.00 C ATOM 1994 NE2 HIS A 126 -19.886 -19.438 -30.324 1.00 0.00 N ATOM 0 H HIS A 126 -14.400 -18.134 -27.828 1.00 0.00 H new ATOM 0 HA HIS A 126 -16.171 -17.864 -29.129 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -16.892 -19.757 -27.573 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -17.831 -18.570 -26.688 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -17.741 -19.876 -30.450 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -21.696 -18.744 -29.424 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -20.223 -19.749 -31.235 1.00 0.00 H new ATOM 2003 N HIS A 127 -16.219 -15.304 -28.117 1.00 0.00 N ATOM 2004 CA HIS A 127 -16.667 -13.906 -28.181 1.00 0.00 C ATOM 2005 C HIS A 127 -17.109 -13.393 -26.808 1.00 0.00 C ATOM 2006 O HIS A 127 -17.304 -12.190 -26.623 1.00 0.00 O ATOM 2007 CB HIS A 127 -17.828 -13.780 -29.175 1.00 0.00 C ATOM 2008 CG HIS A 127 -17.858 -12.507 -29.962 1.00 0.00 C ATOM 2009 ND1 HIS A 127 -18.080 -12.487 -31.318 1.00 0.00 N ATOM 2010 CD2 HIS A 127 -17.726 -11.214 -29.584 1.00 0.00 C ATOM 2011 CE1 HIS A 127 -18.079 -11.240 -31.745 1.00 0.00 C ATOM 2012 NE2 HIS A 127 -17.868 -10.444 -30.713 1.00 0.00 N ATOM 0 H HIS A 127 -15.209 -15.416 -28.210 1.00 0.00 H new ATOM 0 HA HIS A 127 -15.825 -13.299 -28.513 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -17.782 -14.618 -29.871 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -18.766 -13.872 -28.627 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -17.543 -10.855 -28.582 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -18.226 -10.923 -32.767 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -17.819 -9.426 -30.748 1.00 0.00 H new ATOM 2021 N HIS A 128 -17.244 -14.313 -25.854 1.00 0.00 N ATOM 2022 CA HIS A 128 -17.844 -14.024 -24.551 1.00 0.00 C ATOM 2023 C HIS A 128 -19.220 -13.395 -24.748 1.00 0.00 C ATOM 2024 O HIS A 128 -19.393 -12.184 -24.617 1.00 0.00 O ATOM 2025 CB HIS A 128 -16.945 -13.121 -23.691 1.00 0.00 C ATOM 2026 CG HIS A 128 -17.413 -12.981 -22.268 1.00 0.00 C ATOM 2027 ND1 HIS A 128 -16.883 -13.712 -21.225 1.00 0.00 N ATOM 2028 CD2 HIS A 128 -18.366 -12.189 -21.718 1.00 0.00 C ATOM 2029 CE1 HIS A 128 -17.491 -13.379 -20.103 1.00 0.00 C ATOM 2030 NE2 HIS A 128 -18.392 -12.458 -20.374 1.00 0.00 N ATOM 0 H HIS A 128 -16.940 -15.281 -25.962 1.00 0.00 H new ATOM 0 HA HIS A 128 -17.953 -14.965 -24.011 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -15.932 -13.524 -23.693 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -16.896 -12.132 -24.147 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -18.989 -11.478 -22.241 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -17.285 -13.792 -19.127 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -19.010 -12.016 -19.694 1.00 0.00 H new ATOM 2039 N HIS A 129 -20.184 -14.228 -25.097 1.00 0.00 N ATOM 2040 CA HIS A 129 -21.531 -13.769 -25.396 1.00 0.00 C ATOM 2041 C HIS A 129 -22.549 -14.611 -24.644 1.00 0.00 C ATOM 2042 O HIS A 129 -22.385 -15.824 -24.517 1.00 0.00 O ATOM 2043 CB HIS A 129 -21.780 -13.850 -26.911 1.00 0.00 C ATOM 2044 CG HIS A 129 -23.182 -13.507 -27.335 1.00 0.00 C ATOM 2045 ND1 HIS A 129 -23.576 -12.235 -27.686 1.00 0.00 N ATOM 2046 CD2 HIS A 129 -24.282 -14.288 -27.478 1.00 0.00 C ATOM 2047 CE1 HIS A 129 -24.851 -12.245 -28.021 1.00 0.00 C ATOM 2048 NE2 HIS A 129 -25.303 -13.477 -27.905 1.00 0.00 N ATOM 0 H HIS A 129 -20.058 -15.237 -25.181 1.00 0.00 H new ATOM 0 HA HIS A 129 -21.637 -12.733 -25.076 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -21.087 -13.177 -27.416 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -21.549 -14.860 -27.250 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -24.343 -15.350 -27.291 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -25.427 -11.388 -28.337 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -26.257 -13.779 -28.101 1.00 0.00 H new ATOM 2057 N HIS A 130 -23.591 -13.964 -24.144 1.00 0.00 N ATOM 2058 CA HIS A 130 -24.669 -14.655 -23.455 1.00 0.00 C ATOM 2059 C HIS A 130 -25.866 -13.727 -23.337 1.00 0.00 C ATOM 2060 O HIS A 130 -25.903 -12.927 -22.383 1.00 0.00 O ATOM 2061 CB HIS A 130 -24.223 -15.125 -22.063 1.00 0.00 C ATOM 2062 CG HIS A 130 -25.180 -16.084 -21.414 1.00 0.00 C ATOM 2063 ND1 HIS A 130 -24.941 -16.679 -20.195 1.00 0.00 N ATOM 2064 CD2 HIS A 130 -26.380 -16.558 -21.830 1.00 0.00 C ATOM 2065 CE1 HIS A 130 -25.948 -17.476 -19.891 1.00 0.00 C ATOM 2066 NE2 HIS A 130 -26.834 -17.420 -20.865 1.00 0.00 N ATOM 2067 OXT HIS A 130 -26.745 -13.779 -24.217 1.00 0.00 O ATOM 0 H HIS A 130 -23.712 -12.953 -24.204 1.00 0.00 H new ATOM 0 HA HIS A 130 -24.945 -15.537 -24.032 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -23.246 -15.601 -22.146 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -24.100 -14.255 -21.418 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -26.885 -16.304 -22.750 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -26.032 -18.073 -18.995 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -27.714 -17.934 -20.896 1.00 0.00 H new TER 2076 HIS A 130