USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1004 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 TYR OH : rot 60:sc= 2.17 USER MOD Set 1.2: A 129 HIS : no HD1:sc= 1.3 K(o=3.5,f=-6.3!) USER MOD Set 2.1: A 85 TYR OH : rot 122:sc= -2.32! USER MOD Set 2.2: A 87 SER OG : rot 140:sc= 0.906 USER MOD Set 2.3: A 93 GLN : amide:sc= -3.87! C(o=-5.3!,f=-2.6!) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.973 USER MOD Set 3.2: A 86 THR OG1 : rot -69:sc= 1.15 USER MOD Set 4.1: A 62 MET CE :methyl 169:sc= -0.349 (180deg=-0.557) USER MOD Set 4.2: A 66 THR OG1 : rot 180:sc= -0.0264 USER MOD Set 5.1: A 14 SER OG : rot 77:sc= 1.27 USER MOD Set 5.2: A 37 HIS : no HD1:sc= 1.13 K(o=2.4,f=-7.2!) USER MOD Set 6.1: A 9 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.53) USER MOD Set 6.2: A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0279 (180deg=-0.377) USER MOD Single : A 1 MET N :NH3+ 171:sc= 2.31 (180deg=2) USER MOD Single : A 2 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.36) USER MOD Single : A 8 GLN : amide:sc= 0.476 K(o=0.48,f=-0.082) USER MOD Single : A 10 SER OG : rot -83:sc= 0.272 USER MOD Single : A 17 THR OG1 : rot 170:sc= 0.002 USER MOD Single : A 18 MET CE :methyl -121:sc= -0.867 (180deg=-1.05) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.555) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.038) USER MOD Single : A 34 CYS SG : rot 54:sc= -2.16! USER MOD Single : A 35 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.0094) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 19:sc= 1.27 USER MOD Single : A 53 GLN : amide:sc= -2.31! K(o=-2.3!,f=-1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.123 (180deg=-1.72!) USER MOD Single : A 63 SER OG : rot -170:sc= 0.808 USER MOD Single : A 71 ASN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : A 74 TYR OH : rot 80:sc= 0.795 USER MOD Single : A 80 THR OG1 : rot 42:sc= 0.649 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 94 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 98 TYR OH : rot 49:sc= 1.25 USER MOD Single : A 100 GLN : amide:sc= -0.915 X(o=-0.91,f=-1.2) USER MOD Single : A 102 SER OG : rot 61:sc= 0.129 USER MOD Single : A 105 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.63) USER MOD Single : A 107 GLN : amide:sc= 0.518 K(o=0.52,f=-4.9!) USER MOD Single : A 108 GLN : amide:sc= 0.191 K(o=0.19,f=-4.9!) USER MOD Single : A 110 THR OG1 : rot -31:sc= 1.31 USER MOD Single : A 112 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 114 ASN : amide:sc= -5.27! K(o=-5.3!,f=-0.58) USER MOD Single : A 115 ASN : amide:sc= -0.065 X(o=-0.065,f=-0.065) USER MOD Single : A 117 SER OG : rot -140:sc= 0 USER MOD Single : A 118 SER OG : rot 50:sc= -1! USER MOD Single : A 119 LYS NZ :NH3+ -179:sc= 1.03 (180deg=0.962) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.734 K(o=-0.73,f=0.16) USER MOD Single : A 128 HIS : no HD1:sc= 0.036 K(o=0.036,f=-0.83) USER MOD Single : A 130 HIS : no HD1:sc= 0.878 K(o=0.88,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.072 -4.419 18.133 1.00 0.00 N ATOM 2 CA MET A 1 -22.871 -5.147 17.121 1.00 0.00 C ATOM 3 C MET A 1 -22.004 -6.162 16.394 1.00 0.00 C ATOM 4 O MET A 1 -20.807 -5.935 16.213 1.00 0.00 O ATOM 5 CB MET A 1 -23.502 -4.176 16.117 1.00 0.00 C ATOM 6 CG MET A 1 -24.768 -3.506 16.628 1.00 0.00 C ATOM 7 SD MET A 1 -24.476 -2.425 18.041 1.00 0.00 S ATOM 8 CE MET A 1 -23.523 -1.117 17.272 1.00 0.00 C ATOM 0 H1 MET A 1 -22.631 -3.629 18.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.817 -5.067 18.905 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.206 -4.049 17.691 1.00 0.00 H new ATOM 0 HA MET A 1 -23.674 -5.673 17.638 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.773 -3.407 15.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.732 -4.716 15.198 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.216 -2.926 15.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.490 -4.273 16.908 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.521 -0.240 17.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.499 -1.456 17.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.969 -0.858 16.312 1.00 0.00 H new ATOM 20 N ASN A 2 -22.633 -7.273 15.983 1.00 0.00 N ATOM 21 CA ASN A 2 -21.955 -8.433 15.377 1.00 0.00 C ATOM 22 C ASN A 2 -20.655 -8.781 16.101 1.00 0.00 C ATOM 23 O ASN A 2 -19.697 -9.260 15.497 1.00 0.00 O ATOM 24 CB ASN A 2 -21.718 -8.247 13.861 1.00 0.00 C ATOM 25 CG ASN A 2 -20.835 -7.065 13.495 1.00 0.00 C ATOM 26 OD1 ASN A 2 -19.609 -7.172 13.457 1.00 0.00 O ATOM 27 ND2 ASN A 2 -21.454 -5.935 13.193 1.00 0.00 N ATOM 0 H ASN A 2 -23.643 -7.395 16.063 1.00 0.00 H new ATOM 0 HA ASN A 2 -22.632 -9.279 15.496 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -21.267 -9.156 13.464 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -22.683 -8.128 13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -20.913 -5.115 12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -22.472 -5.884 13.236 1.00 0.00 H new ATOM 34 N ASP A 3 -20.653 -8.583 17.412 1.00 0.00 N ATOM 35 CA ASP A 3 -19.488 -8.873 18.230 1.00 0.00 C ATOM 36 C ASP A 3 -19.825 -9.969 19.232 1.00 0.00 C ATOM 37 O ASP A 3 -21.000 -10.195 19.532 1.00 0.00 O ATOM 38 CB ASP A 3 -18.993 -7.612 18.950 1.00 0.00 C ATOM 39 CG ASP A 3 -19.957 -7.108 20.007 1.00 0.00 C ATOM 40 OD1 ASP A 3 -20.908 -6.369 19.659 1.00 0.00 O ATOM 41 OD2 ASP A 3 -19.760 -7.431 21.194 1.00 0.00 O ATOM 0 H ASP A 3 -21.452 -8.220 17.933 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.683 -9.220 17.582 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.031 -7.822 19.416 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.826 -6.824 18.215 1.00 0.00 H new ATOM 46 N ASP A 4 -18.790 -10.636 19.741 1.00 0.00 N ATOM 47 CA ASP A 4 -18.944 -11.812 20.604 1.00 0.00 C ATOM 48 C ASP A 4 -19.631 -12.934 19.825 1.00 0.00 C ATOM 49 O ASP A 4 -18.954 -13.713 19.161 1.00 0.00 O ATOM 50 CB ASP A 4 -19.723 -11.482 21.886 1.00 0.00 C ATOM 51 CG ASP A 4 -19.603 -12.567 22.943 1.00 0.00 C ATOM 52 OD1 ASP A 4 -20.259 -13.623 22.810 1.00 0.00 O ATOM 53 OD2 ASP A 4 -18.863 -12.356 23.931 1.00 0.00 O ATOM 0 H ASP A 4 -17.819 -10.378 19.568 1.00 0.00 H new ATOM 0 HA ASP A 4 -17.951 -12.142 20.911 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.358 -10.540 22.295 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.775 -11.336 21.639 1.00 0.00 H new ATOM 58 N VAL A 5 -20.969 -12.989 19.918 1.00 0.00 N ATOM 59 CA VAL A 5 -21.831 -13.881 19.111 1.00 0.00 C ATOM 60 C VAL A 5 -21.368 -15.354 19.116 1.00 0.00 C ATOM 61 O VAL A 5 -21.810 -16.155 18.284 1.00 0.00 O ATOM 62 CB VAL A 5 -21.980 -13.354 17.650 1.00 0.00 C ATOM 63 CG1 VAL A 5 -20.764 -13.677 16.791 1.00 0.00 C ATOM 64 CG2 VAL A 5 -23.252 -13.886 17.003 1.00 0.00 C ATOM 0 H VAL A 5 -21.497 -12.405 20.567 1.00 0.00 H new ATOM 0 HA VAL A 5 -22.809 -13.864 19.593 1.00 0.00 H new ATOM 0 HB VAL A 5 -22.051 -12.268 17.713 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -20.917 -13.289 15.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -19.878 -13.216 17.227 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -20.626 -14.757 16.747 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -23.330 -13.503 15.986 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -23.220 -14.975 16.979 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -24.117 -13.561 17.581 1.00 0.00 H new ATOM 74 N ASP A 6 -20.531 -15.710 20.091 1.00 0.00 N ATOM 75 CA ASP A 6 -19.954 -17.058 20.197 1.00 0.00 C ATOM 76 C ASP A 6 -19.009 -17.352 19.033 1.00 0.00 C ATOM 77 O ASP A 6 -19.027 -16.670 18.010 1.00 0.00 O ATOM 78 CB ASP A 6 -21.040 -18.143 20.270 1.00 0.00 C ATOM 79 CG ASP A 6 -21.987 -17.953 21.436 1.00 0.00 C ATOM 80 OD1 ASP A 6 -21.523 -17.932 22.594 1.00 0.00 O ATOM 81 OD2 ASP A 6 -23.207 -17.816 21.200 1.00 0.00 O ATOM 0 H ASP A 6 -20.232 -15.075 20.831 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.386 -17.080 21.127 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -21.611 -18.141 19.341 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -20.565 -19.121 20.350 1.00 0.00 H new ATOM 86 N ILE A 7 -18.181 -18.377 19.208 1.00 0.00 N ATOM 87 CA ILE A 7 -17.206 -18.786 18.200 1.00 0.00 C ATOM 88 C ILE A 7 -16.196 -17.671 17.937 1.00 0.00 C ATOM 89 O ILE A 7 -16.338 -16.877 17.005 1.00 0.00 O ATOM 90 CB ILE A 7 -17.879 -19.222 16.874 1.00 0.00 C ATOM 91 CG1 ILE A 7 -18.907 -20.325 17.144 1.00 0.00 C ATOM 92 CG2 ILE A 7 -16.830 -19.708 15.879 1.00 0.00 C ATOM 93 CD1 ILE A 7 -19.646 -20.793 15.907 1.00 0.00 C ATOM 0 H ILE A 7 -18.166 -18.949 20.053 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.682 -19.653 18.602 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.391 -18.362 16.443 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.400 -21.177 17.596 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -19.632 -19.962 17.872 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -17.319 -20.010 14.953 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -16.125 -18.903 15.671 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.295 -20.559 16.301 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -20.355 -21.574 16.181 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -20.183 -19.954 15.465 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -18.932 -21.188 15.184 1.00 0.00 H new ATOM 105 N GLN A 8 -15.174 -17.615 18.780 1.00 0.00 N ATOM 106 CA GLN A 8 -14.137 -16.595 18.674 1.00 0.00 C ATOM 107 C GLN A 8 -13.048 -17.050 17.707 1.00 0.00 C ATOM 108 O GLN A 8 -11.855 -16.978 18.011 1.00 0.00 O ATOM 109 CB GLN A 8 -13.533 -16.312 20.052 1.00 0.00 C ATOM 110 CG GLN A 8 -14.561 -15.958 21.116 1.00 0.00 C ATOM 111 CD GLN A 8 -15.395 -14.743 20.762 1.00 0.00 C ATOM 112 OE1 GLN A 8 -15.036 -13.611 21.085 1.00 0.00 O ATOM 113 NE2 GLN A 8 -16.523 -14.972 20.113 1.00 0.00 N ATOM 0 H GLN A 8 -15.040 -18.269 19.551 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.585 -15.678 18.291 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.973 -17.188 20.379 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.820 -15.493 19.964 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.222 -16.811 21.271 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.048 -15.776 22.060 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.783 -15.926 19.864 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.133 -14.195 19.861 1.00 0.00 H new ATOM 122 N GLN A 9 -13.478 -17.501 16.534 1.00 0.00 N ATOM 123 CA GLN A 9 -12.573 -18.033 15.522 1.00 0.00 C ATOM 124 C GLN A 9 -11.525 -16.992 15.134 1.00 0.00 C ATOM 125 O GLN A 9 -10.353 -17.323 14.975 1.00 0.00 O ATOM 126 CB GLN A 9 -13.372 -18.480 14.297 1.00 0.00 C ATOM 127 CG GLN A 9 -12.543 -19.214 13.256 1.00 0.00 C ATOM 128 CD GLN A 9 -13.377 -19.704 12.087 1.00 0.00 C ATOM 129 OE1 GLN A 9 -14.396 -19.110 11.744 1.00 0.00 O ATOM 130 NE2 GLN A 9 -12.940 -20.785 11.458 1.00 0.00 N ATOM 0 H GLN A 9 -14.460 -17.508 16.258 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.050 -18.896 15.935 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.185 -19.128 14.623 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -13.828 -17.605 13.833 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.760 -18.551 12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -12.047 -20.064 13.725 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.089 -21.250 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -13.455 -21.152 10.658 1.00 0.00 H new ATOM 139 N SER A 10 -11.978 -15.740 15.009 1.00 0.00 N ATOM 140 CA SER A 10 -11.121 -14.566 14.770 1.00 0.00 C ATOM 141 C SER A 10 -10.138 -14.738 13.604 1.00 0.00 C ATOM 142 O SER A 10 -10.435 -14.323 12.481 1.00 0.00 O ATOM 143 CB SER A 10 -10.384 -14.155 16.058 1.00 0.00 C ATOM 144 OG SER A 10 -9.686 -15.243 16.645 1.00 0.00 O ATOM 0 H SER A 10 -12.969 -15.506 15.072 1.00 0.00 H new ATOM 0 HA SER A 10 -11.794 -13.762 14.471 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.681 -13.353 15.833 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.102 -13.757 16.775 1.00 0.00 H new ATOM 0 HG SER A 10 -10.304 -15.772 17.191 1.00 0.00 H new ATOM 150 N TYR A 11 -8.995 -15.356 13.896 1.00 0.00 N ATOM 151 CA TYR A 11 -7.862 -15.481 12.967 1.00 0.00 C ATOM 152 C TYR A 11 -7.068 -14.178 12.911 1.00 0.00 C ATOM 153 O TYR A 11 -7.583 -13.112 13.255 1.00 0.00 O ATOM 154 CB TYR A 11 -8.298 -15.888 11.550 1.00 0.00 C ATOM 155 CG TYR A 11 -8.689 -17.341 11.410 1.00 0.00 C ATOM 156 CD1 TYR A 11 -7.818 -18.355 11.792 1.00 0.00 C ATOM 157 CD2 TYR A 11 -9.919 -17.698 10.879 1.00 0.00 C ATOM 158 CE1 TYR A 11 -8.167 -19.684 11.652 1.00 0.00 C ATOM 159 CE2 TYR A 11 -10.276 -19.024 10.739 1.00 0.00 C ATOM 160 CZ TYR A 11 -9.397 -20.013 11.124 1.00 0.00 C ATOM 161 OH TYR A 11 -9.752 -21.336 10.992 1.00 0.00 O ATOM 0 H TYR A 11 -8.822 -15.794 14.801 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.229 -16.279 13.354 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.142 -15.267 11.250 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.484 -15.675 10.857 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.853 -18.099 12.205 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.609 -16.926 10.570 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.480 -20.461 11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.240 -19.285 10.329 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.315 -21.863 11.693 1.00 0.00 H new ATOM 171 N PRO A 12 -5.785 -14.250 12.514 1.00 0.00 N ATOM 172 CA PRO A 12 -4.946 -13.062 12.347 1.00 0.00 C ATOM 173 C PRO A 12 -5.495 -12.132 11.267 1.00 0.00 C ATOM 174 O PRO A 12 -6.325 -12.539 10.450 1.00 0.00 O ATOM 175 CB PRO A 12 -3.582 -13.625 11.933 1.00 0.00 C ATOM 176 CG PRO A 12 -3.861 -15.001 11.434 1.00 0.00 C ATOM 177 CD PRO A 12 -5.049 -15.488 12.212 1.00 0.00 C ATOM 0 HA PRO A 12 -4.901 -12.462 13.256 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.122 -13.011 11.159 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.892 -13.645 12.776 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.071 -14.993 10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.001 -15.653 11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.653 -16.184 11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.749 -16.010 13.121 1.00 0.00 H new ATOM 185 N PHE A 13 -5.030 -10.888 11.262 1.00 0.00 N ATOM 186 CA PHE A 13 -5.552 -9.883 10.343 1.00 0.00 C ATOM 187 C PHE A 13 -5.262 -10.257 8.894 1.00 0.00 C ATOM 188 O PHE A 13 -4.174 -10.732 8.564 1.00 0.00 O ATOM 189 CB PHE A 13 -4.947 -8.510 10.648 1.00 0.00 C ATOM 190 CG PHE A 13 -5.097 -8.080 12.080 1.00 0.00 C ATOM 191 CD1 PHE A 13 -6.318 -8.176 12.727 1.00 0.00 C ATOM 192 CD2 PHE A 13 -4.012 -7.583 12.779 1.00 0.00 C ATOM 193 CE1 PHE A 13 -6.453 -7.782 14.045 1.00 0.00 C ATOM 194 CE2 PHE A 13 -4.140 -7.187 14.096 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.362 -7.285 14.731 1.00 0.00 C ATOM 0 H PHE A 13 -4.294 -10.551 11.883 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.632 -9.840 10.482 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.887 -8.527 10.394 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.417 -7.766 10.005 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.175 -8.563 12.195 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.053 -7.504 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.411 -7.863 14.538 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.284 -6.801 14.629 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.464 -6.974 15.760 1.00 0.00 H new ATOM 205 N SER A 14 -6.245 -10.041 8.039 1.00 0.00 N ATOM 206 CA SER A 14 -6.090 -10.282 6.619 1.00 0.00 C ATOM 207 C SER A 14 -6.500 -9.041 5.837 1.00 0.00 C ATOM 208 O SER A 14 -7.599 -8.512 6.023 1.00 0.00 O ATOM 209 CB SER A 14 -6.928 -11.494 6.193 1.00 0.00 C ATOM 210 OG SER A 14 -8.282 -11.347 6.593 1.00 0.00 O ATOM 0 H SER A 14 -7.166 -9.696 8.308 1.00 0.00 H new ATOM 0 HA SER A 14 -5.044 -10.499 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.876 -11.613 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.512 -12.400 6.633 1.00 0.00 H new ATOM 0 HG SER A 14 -8.735 -10.721 5.991 1.00 0.00 H new ATOM 216 N ILE A 15 -5.611 -8.557 4.986 1.00 0.00 N ATOM 217 CA ILE A 15 -5.901 -7.378 4.189 1.00 0.00 C ATOM 218 C ILE A 15 -6.273 -7.773 2.772 1.00 0.00 C ATOM 219 O ILE A 15 -5.459 -8.330 2.036 1.00 0.00 O ATOM 220 CB ILE A 15 -4.706 -6.408 4.152 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.314 -6.015 5.578 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.049 -5.173 3.324 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.172 -5.030 5.645 1.00 0.00 C ATOM 0 H ILE A 15 -4.687 -8.960 4.830 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.742 -6.869 4.660 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.858 -6.905 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.182 -5.586 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.040 -6.914 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.194 -4.497 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.293 -5.474 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.905 -4.664 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.951 -4.799 6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.290 -5.464 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.450 -4.115 5.122 1.00 0.00 H new ATOM 235 N GLU A 16 -7.509 -7.495 2.400 1.00 0.00 N ATOM 236 CA GLU A 16 -7.973 -7.778 1.057 1.00 0.00 C ATOM 237 C GLU A 16 -7.802 -6.539 0.190 1.00 0.00 C ATOM 238 O GLU A 16 -8.401 -5.494 0.457 1.00 0.00 O ATOM 239 CB GLU A 16 -9.436 -8.228 1.069 1.00 0.00 C ATOM 240 CG GLU A 16 -9.932 -8.674 -0.294 1.00 0.00 C ATOM 241 CD GLU A 16 -11.356 -9.181 -0.267 1.00 0.00 C ATOM 242 OE1 GLU A 16 -11.886 -9.439 0.835 1.00 0.00 O ATOM 243 OE2 GLU A 16 -11.954 -9.332 -1.353 1.00 0.00 O ATOM 0 H GLU A 16 -8.209 -7.073 3.010 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.378 -8.592 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.552 -9.048 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.059 -7.408 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.863 -7.839 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.279 -9.460 -0.673 1.00 0.00 H new ATOM 250 N THR A 17 -6.960 -6.651 -0.821 1.00 0.00 N ATOM 251 CA THR A 17 -6.685 -5.541 -1.709 1.00 0.00 C ATOM 252 C THR A 17 -7.599 -5.581 -2.928 1.00 0.00 C ATOM 253 O THR A 17 -7.831 -6.644 -3.511 1.00 0.00 O ATOM 254 CB THR A 17 -5.206 -5.552 -2.157 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.855 -6.845 -2.674 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.290 -5.202 -0.991 1.00 0.00 C ATOM 0 H THR A 17 -6.453 -7.507 -1.047 1.00 0.00 H new ATOM 0 HA THR A 17 -6.878 -4.619 -1.160 1.00 0.00 H new ATOM 0 HB THR A 17 -5.081 -4.804 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.974 -6.799 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.253 -5.215 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.539 -4.208 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.422 -5.932 -0.193 1.00 0.00 H new ATOM 264 N MET A 18 -8.139 -4.426 -3.291 1.00 0.00 N ATOM 265 CA MET A 18 -8.993 -4.322 -4.467 1.00 0.00 C ATOM 266 C MET A 18 -8.198 -4.630 -5.728 1.00 0.00 C ATOM 267 O MET A 18 -7.080 -4.145 -5.893 1.00 0.00 O ATOM 268 CB MET A 18 -9.620 -2.929 -4.568 1.00 0.00 C ATOM 269 CG MET A 18 -10.637 -2.646 -3.477 1.00 0.00 C ATOM 270 SD MET A 18 -12.034 -3.784 -3.512 1.00 0.00 S ATOM 271 CE MET A 18 -12.718 -3.432 -5.131 1.00 0.00 C ATOM 0 H MET A 18 -8.002 -3.549 -2.789 1.00 0.00 H new ATOM 0 HA MET A 18 -9.796 -5.053 -4.367 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.830 -2.179 -4.522 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.102 -2.825 -5.540 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.147 -2.709 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.003 -1.625 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.751 -3.099 -5.025 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.132 -2.648 -5.611 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.688 -4.334 -5.743 1.00 0.00 H new ATOM 281 N PRO A 19 -8.771 -5.456 -6.619 1.00 0.00 N ATOM 282 CA PRO A 19 -8.124 -5.875 -7.865 1.00 0.00 C ATOM 283 C PRO A 19 -7.564 -4.699 -8.658 1.00 0.00 C ATOM 284 O PRO A 19 -8.289 -3.754 -8.989 1.00 0.00 O ATOM 285 CB PRO A 19 -9.250 -6.562 -8.655 1.00 0.00 C ATOM 286 CG PRO A 19 -10.508 -6.273 -7.904 1.00 0.00 C ATOM 287 CD PRO A 19 -10.100 -6.056 -6.479 1.00 0.00 C ATOM 0 HA PRO A 19 -7.269 -6.522 -7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.305 -6.177 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.077 -7.636 -8.730 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.008 -5.391 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.210 -7.102 -7.986 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.791 -5.395 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.067 -6.991 -5.919 1.00 0.00 H new ATOM 295 N VAL A 20 -6.274 -4.761 -8.955 1.00 0.00 N ATOM 296 CA VAL A 20 -5.606 -3.702 -9.693 1.00 0.00 C ATOM 297 C VAL A 20 -5.896 -3.814 -11.196 1.00 0.00 C ATOM 298 O VAL A 20 -6.269 -4.881 -11.689 1.00 0.00 O ATOM 299 CB VAL A 20 -4.081 -3.689 -9.426 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.799 -3.231 -8.002 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.465 -5.057 -9.665 1.00 0.00 C ATOM 0 H VAL A 20 -5.667 -5.538 -8.694 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.008 -2.754 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.626 -2.987 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.723 -3.226 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.194 -2.225 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.278 -3.913 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.394 -5.013 -9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.927 -5.785 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.632 -5.356 -10.700 1.00 0.00 H new ATOM 311 N PRO A 21 -5.750 -2.698 -11.928 1.00 0.00 N ATOM 312 CA PRO A 21 -6.149 -2.593 -13.334 1.00 0.00 C ATOM 313 C PRO A 21 -5.089 -3.076 -14.323 1.00 0.00 C ATOM 314 O PRO A 21 -3.955 -3.364 -13.955 1.00 0.00 O ATOM 315 CB PRO A 21 -6.378 -1.099 -13.496 1.00 0.00 C ATOM 316 CG PRO A 21 -5.393 -0.472 -12.571 1.00 0.00 C ATOM 317 CD PRO A 21 -5.183 -1.432 -11.432 1.00 0.00 C ATOM 0 HA PRO A 21 -7.012 -3.223 -13.552 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.215 -0.781 -14.526 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.400 -0.823 -13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.453 -0.274 -13.086 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.764 0.485 -12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.126 -1.536 -11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.688 -1.095 -10.527 1.00 0.00 H new ATOM 325 N LYS A 22 -5.487 -3.164 -15.588 1.00 0.00 N ATOM 326 CA LYS A 22 -4.629 -3.656 -16.650 1.00 0.00 C ATOM 327 C LYS A 22 -4.174 -2.509 -17.571 1.00 0.00 C ATOM 328 O LYS A 22 -3.589 -2.737 -18.631 1.00 0.00 O ATOM 329 CB LYS A 22 -5.412 -4.713 -17.428 1.00 0.00 C ATOM 330 CG LYS A 22 -4.593 -5.521 -18.412 1.00 0.00 C ATOM 331 CD LYS A 22 -5.420 -6.650 -19.000 1.00 0.00 C ATOM 332 CE LYS A 22 -6.647 -6.125 -19.732 1.00 0.00 C ATOM 333 NZ LYS A 22 -7.537 -7.227 -20.183 1.00 0.00 N ATOM 0 H LYS A 22 -6.419 -2.894 -15.903 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.724 -4.095 -16.230 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.876 -5.397 -16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.220 -4.220 -17.969 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.233 -4.873 -19.211 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.714 -5.929 -17.912 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.806 -7.231 -19.688 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.732 -7.326 -18.204 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.203 -5.455 -19.075 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.332 -5.537 -20.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.361 -6.828 -20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.015 -7.852 -20.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.859 -7.773 -19.358 1.00 0.00 H new ATOM 347 N LYS A 23 -4.432 -1.274 -17.147 1.00 0.00 N ATOM 348 CA LYS A 23 -4.081 -0.091 -17.939 1.00 0.00 C ATOM 349 C LYS A 23 -3.549 1.034 -17.044 1.00 0.00 C ATOM 350 O LYS A 23 -4.103 1.286 -15.976 1.00 0.00 O ATOM 351 CB LYS A 23 -5.311 0.381 -18.719 1.00 0.00 C ATOM 352 CG LYS A 23 -6.592 0.360 -17.896 1.00 0.00 C ATOM 353 CD LYS A 23 -7.818 0.660 -18.740 1.00 0.00 C ATOM 354 CE LYS A 23 -7.975 2.146 -19.018 1.00 0.00 C ATOM 355 NZ LYS A 23 -8.344 2.904 -17.794 1.00 0.00 N ATOM 0 H LYS A 23 -4.884 -1.063 -16.257 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.289 -0.359 -18.638 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.136 1.394 -19.080 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.441 -0.252 -19.597 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.705 -0.618 -17.427 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.518 1.092 -17.092 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.747 0.121 -19.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.708 0.292 -18.229 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.042 2.540 -19.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.740 2.294 -19.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.886 3.751 -18.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.924 2.302 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.481 3.190 -17.289 1.00 0.00 H new ATOM 369 N LEU A 24 -2.472 1.702 -17.478 1.00 0.00 N ATOM 370 CA LEU A 24 -1.873 2.804 -16.711 1.00 0.00 C ATOM 371 C LEU A 24 -1.381 3.901 -17.652 1.00 0.00 C ATOM 372 O LEU A 24 -0.946 3.623 -18.767 1.00 0.00 O ATOM 373 CB LEU A 24 -0.685 2.308 -15.863 1.00 0.00 C ATOM 374 CG LEU A 24 -0.626 2.814 -14.407 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.493 2.139 -13.638 1.00 0.00 C ATOM 376 CD2 LEU A 24 -0.460 4.317 -14.323 1.00 0.00 C ATOM 0 H LEU A 24 -1.997 1.499 -18.357 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.644 3.201 -16.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.708 1.218 -15.846 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.238 2.599 -16.364 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.584 2.555 -13.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.510 2.515 -12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.328 1.062 -13.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.447 2.354 -14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.424 4.621 -13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.466 4.609 -14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.303 4.804 -14.814 1.00 0.00 H new ATOM 388 N LYS A 25 -1.470 5.142 -17.194 1.00 0.00 N ATOM 389 CA LYS A 25 -0.868 6.270 -17.891 1.00 0.00 C ATOM 390 C LYS A 25 0.329 6.763 -17.084 1.00 0.00 C ATOM 391 O LYS A 25 0.244 6.878 -15.860 1.00 0.00 O ATOM 392 CB LYS A 25 -1.885 7.404 -18.058 1.00 0.00 C ATOM 393 CG LYS A 25 -3.236 6.942 -18.581 1.00 0.00 C ATOM 394 CD LYS A 25 -4.207 8.102 -18.733 1.00 0.00 C ATOM 395 CE LYS A 25 -5.621 7.616 -19.030 1.00 0.00 C ATOM 396 NZ LYS A 25 -5.691 6.820 -20.284 1.00 0.00 N ATOM 0 H LYS A 25 -1.958 5.394 -16.335 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.545 5.952 -18.882 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.027 7.897 -17.096 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.476 8.149 -18.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.104 6.449 -19.544 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.656 6.202 -17.900 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.210 8.696 -17.819 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.870 8.756 -19.537 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.977 7.010 -18.197 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.289 8.474 -19.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.683 6.583 -20.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.297 7.375 -21.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.142 5.944 -20.170 1.00 0.00 H new ATOM 410 N VAL A 26 1.437 7.049 -17.751 1.00 0.00 N ATOM 411 CA VAL A 26 2.645 7.478 -17.055 1.00 0.00 C ATOM 412 C VAL A 26 2.446 8.864 -16.453 1.00 0.00 C ATOM 413 O VAL A 26 2.330 9.858 -17.173 1.00 0.00 O ATOM 414 CB VAL A 26 3.881 7.475 -17.984 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.092 8.067 -17.275 1.00 0.00 C ATOM 416 CG2 VAL A 26 4.187 6.059 -18.452 1.00 0.00 C ATOM 0 H VAL A 26 1.527 6.993 -18.765 1.00 0.00 H new ATOM 0 HA VAL A 26 2.831 6.760 -16.256 1.00 0.00 H new ATOM 0 HB VAL A 26 3.656 8.093 -18.853 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.950 8.055 -17.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.876 9.094 -16.982 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.319 7.476 -16.387 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.059 6.072 -19.105 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.390 5.426 -17.588 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.331 5.663 -18.998 1.00 0.00 H new ATOM 426 N GLY A 27 2.407 8.922 -15.127 1.00 0.00 N ATOM 427 CA GLY A 27 2.129 10.168 -14.445 1.00 0.00 C ATOM 428 C GLY A 27 0.768 10.152 -13.780 1.00 0.00 C ATOM 429 O GLY A 27 0.378 11.118 -13.119 1.00 0.00 O ATOM 0 H GLY A 27 2.564 8.124 -14.512 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.898 10.352 -13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.176 10.991 -15.158 1.00 0.00 H new ATOM 433 N GLU A 28 0.040 9.056 -13.960 1.00 0.00 N ATOM 434 CA GLU A 28 -1.282 8.908 -13.368 1.00 0.00 C ATOM 435 C GLU A 28 -1.187 8.148 -12.047 1.00 0.00 C ATOM 436 O GLU A 28 -0.222 7.417 -11.803 1.00 0.00 O ATOM 437 CB GLU A 28 -2.222 8.189 -14.346 1.00 0.00 C ATOM 438 CG GLU A 28 -3.686 8.199 -13.925 1.00 0.00 C ATOM 439 CD GLU A 28 -4.207 9.595 -13.651 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.048 10.075 -12.510 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.772 10.219 -14.578 1.00 0.00 O ATOM 0 H GLU A 28 0.345 8.255 -14.513 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.692 9.897 -13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.134 8.656 -15.327 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.894 7.155 -14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.288 7.738 -14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.806 7.589 -13.030 1.00 0.00 H new ATOM 448 N THR A 29 -2.191 8.322 -11.204 1.00 0.00 N ATOM 449 CA THR A 29 -2.181 7.746 -9.873 1.00 0.00 C ATOM 450 C THR A 29 -3.165 6.576 -9.760 1.00 0.00 C ATOM 451 O THR A 29 -4.258 6.611 -10.327 1.00 0.00 O ATOM 452 CB THR A 29 -2.519 8.827 -8.827 1.00 0.00 C ATOM 453 OG1 THR A 29 -1.650 9.956 -9.003 1.00 0.00 O ATOM 454 CG2 THR A 29 -2.370 8.297 -7.411 1.00 0.00 C ATOM 0 H THR A 29 -3.029 8.862 -11.422 1.00 0.00 H new ATOM 0 HA THR A 29 -1.180 7.360 -9.682 1.00 0.00 H new ATOM 0 HB THR A 29 -3.557 9.124 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.867 10.643 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.616 9.085 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.045 7.453 -7.265 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.342 7.971 -7.251 1.00 0.00 H new ATOM 462 N ALA A 30 -2.753 5.535 -9.046 1.00 0.00 N ATOM 463 CA ALA A 30 -3.598 4.374 -8.802 1.00 0.00 C ATOM 464 C ALA A 30 -3.998 4.299 -7.330 1.00 0.00 C ATOM 465 O ALA A 30 -3.136 4.256 -6.452 1.00 0.00 O ATOM 466 CB ALA A 30 -2.869 3.102 -9.213 1.00 0.00 C ATOM 0 H ALA A 30 -1.828 5.473 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.504 4.473 -9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.509 2.240 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.624 3.150 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.951 3.005 -8.633 1.00 0.00 H new ATOM 472 N GLU A 31 -5.299 4.295 -7.064 1.00 0.00 N ATOM 473 CA GLU A 31 -5.792 4.174 -5.699 1.00 0.00 C ATOM 474 C GLU A 31 -5.969 2.707 -5.321 1.00 0.00 C ATOM 475 O GLU A 31 -6.946 2.056 -5.696 1.00 0.00 O ATOM 476 CB GLU A 31 -7.108 4.952 -5.508 1.00 0.00 C ATOM 477 CG GLU A 31 -8.186 4.634 -6.533 1.00 0.00 C ATOM 478 CD GLU A 31 -9.479 5.390 -6.291 1.00 0.00 C ATOM 479 OE1 GLU A 31 -9.522 6.243 -5.380 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.466 5.129 -7.012 1.00 0.00 O ATOM 0 H GLU A 31 -6.028 4.374 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.049 4.614 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.498 4.741 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.892 6.020 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.814 4.873 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.390 3.563 -6.517 1.00 0.00 H new ATOM 487 N ILE A 32 -4.996 2.189 -4.588 1.00 0.00 N ATOM 488 CA ILE A 32 -5.036 0.819 -4.110 1.00 0.00 C ATOM 489 C ILE A 32 -5.840 0.760 -2.818 1.00 0.00 C ATOM 490 O ILE A 32 -5.363 1.160 -1.755 1.00 0.00 O ATOM 491 CB ILE A 32 -3.619 0.261 -3.853 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.710 0.532 -5.054 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.685 -1.237 -3.576 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.254 0.195 -4.808 1.00 0.00 C ATOM 0 H ILE A 32 -4.161 2.705 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.505 0.208 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.203 0.765 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.068 -0.046 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.788 1.584 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.680 -1.618 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.304 -1.418 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.118 -1.747 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.673 0.414 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.878 0.792 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.162 -0.864 -4.565 1.00 0.00 H new ATOM 506 N ARG A 33 -7.069 0.293 -2.920 1.00 0.00 N ATOM 507 CA ARG A 33 -7.952 0.233 -1.771 1.00 0.00 C ATOM 508 C ARG A 33 -7.750 -1.077 -1.022 1.00 0.00 C ATOM 509 O ARG A 33 -7.936 -2.158 -1.582 1.00 0.00 O ATOM 510 CB ARG A 33 -9.403 0.379 -2.222 1.00 0.00 C ATOM 511 CG ARG A 33 -9.646 1.619 -3.068 1.00 0.00 C ATOM 512 CD ARG A 33 -11.076 1.673 -3.569 1.00 0.00 C ATOM 513 NE ARG A 33 -11.304 2.807 -4.463 1.00 0.00 N ATOM 514 CZ ARG A 33 -12.500 3.143 -4.947 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.573 2.421 -4.644 1.00 0.00 N ATOM 516 NH2 ARG A 33 -12.615 4.192 -5.749 1.00 0.00 N ATOM 0 H ARG A 33 -7.480 -0.051 -3.788 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.715 1.054 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.690 -0.504 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.048 0.414 -1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.431 2.511 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.961 1.623 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.311 0.746 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.755 1.740 -2.719 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.501 3.375 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.484 1.605 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.486 2.683 -5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.790 4.739 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.528 4.452 -6.121 1.00 0.00 H new ATOM 530 N CYS A 34 -7.360 -0.975 0.234 1.00 0.00 N ATOM 531 CA CYS A 34 -7.059 -2.145 1.037 1.00 0.00 C ATOM 532 C CYS A 34 -7.967 -2.199 2.262 1.00 0.00 C ATOM 533 O CYS A 34 -8.079 -1.225 3.006 1.00 0.00 O ATOM 534 CB CYS A 34 -5.593 -2.107 1.468 1.00 0.00 C ATOM 535 SG CYS A 34 -4.435 -1.811 0.110 1.00 0.00 S ATOM 0 H CYS A 34 -7.244 -0.088 0.723 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.235 -3.040 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.465 -1.326 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.341 -3.053 1.947 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.781 -0.732 -0.528 1.00 0.00 H new ATOM 541 N GLN A 35 -8.629 -3.329 2.453 1.00 0.00 N ATOM 542 CA GLN A 35 -9.504 -3.506 3.600 1.00 0.00 C ATOM 543 C GLN A 35 -8.921 -4.543 4.551 1.00 0.00 C ATOM 544 O GLN A 35 -8.829 -5.727 4.217 1.00 0.00 O ATOM 545 CB GLN A 35 -10.905 -3.934 3.150 1.00 0.00 C ATOM 546 CG GLN A 35 -11.613 -2.899 2.284 1.00 0.00 C ATOM 547 CD GLN A 35 -13.031 -3.297 1.911 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.532 -2.930 0.847 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.696 -4.037 2.785 1.00 0.00 N ATOM 0 H GLN A 35 -8.577 -4.135 1.830 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.584 -2.552 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.829 -4.869 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.514 -4.136 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.638 -1.947 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.036 -2.741 1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.249 -4.322 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.655 -4.322 2.587 1.00 0.00 H new ATOM 558 N LEU A 36 -8.520 -4.091 5.730 1.00 0.00 N ATOM 559 CA LEU A 36 -7.945 -4.973 6.730 1.00 0.00 C ATOM 560 C LEU A 36 -9.044 -5.550 7.613 1.00 0.00 C ATOM 561 O LEU A 36 -9.795 -4.812 8.250 1.00 0.00 O ATOM 562 CB LEU A 36 -6.909 -4.208 7.570 1.00 0.00 C ATOM 563 CG LEU A 36 -6.136 -5.035 8.609 1.00 0.00 C ATOM 564 CD1 LEU A 36 -4.770 -4.420 8.866 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.903 -5.125 9.919 1.00 0.00 C ATOM 0 H LEU A 36 -8.583 -3.114 6.017 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.440 -5.800 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.189 -3.750 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.420 -3.397 8.089 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.012 -6.040 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.235 -5.017 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.201 -4.397 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.893 -3.404 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.332 -5.716 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.060 -4.123 10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.868 -5.601 9.744 1.00 0.00 H new ATOM 577 N HIS A 37 -9.144 -6.870 7.628 1.00 0.00 N ATOM 578 CA HIS A 37 -10.091 -7.551 8.497 1.00 0.00 C ATOM 579 C HIS A 37 -9.482 -7.689 9.880 1.00 0.00 C ATOM 580 O HIS A 37 -8.480 -8.383 10.054 1.00 0.00 O ATOM 581 CB HIS A 37 -10.448 -8.940 7.958 1.00 0.00 C ATOM 582 CG HIS A 37 -10.867 -8.952 6.520 1.00 0.00 C ATOM 583 ND1 HIS A 37 -10.293 -9.782 5.584 1.00 0.00 N ATOM 584 CD2 HIS A 37 -11.801 -8.230 5.857 1.00 0.00 C ATOM 585 CE1 HIS A 37 -10.850 -9.570 4.408 1.00 0.00 C ATOM 586 NE2 HIS A 37 -11.769 -8.635 4.548 1.00 0.00 N ATOM 0 H HIS A 37 -8.581 -7.492 7.048 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.006 -6.960 8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.587 -9.597 8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.254 -9.356 8.563 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.449 -7.477 6.280 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.597 -10.076 3.488 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.361 -8.271 3.802 1.00 0.00 H new ATOM 595 N ARG A 38 -10.072 -7.025 10.856 1.00 0.00 N ATOM 596 CA ARG A 38 -9.522 -7.028 12.199 1.00 0.00 C ATOM 597 C ARG A 38 -10.545 -7.500 13.217 1.00 0.00 C ATOM 598 O ARG A 38 -11.723 -7.686 12.898 1.00 0.00 O ATOM 599 CB ARG A 38 -8.998 -5.639 12.589 1.00 0.00 C ATOM 600 CG ARG A 38 -10.066 -4.628 12.998 1.00 0.00 C ATOM 601 CD ARG A 38 -10.974 -4.237 11.845 1.00 0.00 C ATOM 602 NE ARG A 38 -11.840 -3.115 12.201 1.00 0.00 N ATOM 603 CZ ARG A 38 -13.053 -2.908 11.697 1.00 0.00 C ATOM 604 NH1 ARG A 38 -13.597 -3.791 10.866 1.00 0.00 N ATOM 605 NH2 ARG A 38 -13.732 -1.820 12.033 1.00 0.00 N ATOM 0 H ARG A 38 -10.927 -6.480 10.746 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.687 -7.728 12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.295 -5.753 13.414 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.439 -5.231 11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.669 -5.048 13.804 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.583 -3.735 13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.369 -3.970 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.585 -5.092 11.556 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.489 -2.443 12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.084 -4.635 10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.528 -3.625 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.324 -1.143 12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.663 -1.660 11.647 1.00 0.00 H new ATOM 619 N ASP A 39 -10.079 -7.683 14.439 1.00 0.00 N ATOM 620 CA ASP A 39 -10.922 -8.100 15.539 1.00 0.00 C ATOM 621 C ASP A 39 -11.332 -6.894 16.375 1.00 0.00 C ATOM 622 O ASP A 39 -10.610 -5.897 16.442 1.00 0.00 O ATOM 623 CB ASP A 39 -10.180 -9.124 16.404 1.00 0.00 C ATOM 624 CG ASP A 39 -10.812 -9.295 17.768 1.00 0.00 C ATOM 625 OD1 ASP A 39 -11.967 -9.758 17.840 1.00 0.00 O ATOM 626 OD2 ASP A 39 -10.170 -8.917 18.766 1.00 0.00 O ATOM 0 H ASP A 39 -9.101 -7.545 14.695 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.823 -8.565 15.140 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.165 -10.086 15.891 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.143 -8.810 16.524 1.00 0.00 H new ATOM 631 N GLY A 40 -12.495 -6.989 16.998 1.00 0.00 N ATOM 632 CA GLY A 40 -12.998 -5.905 17.815 1.00 0.00 C ATOM 633 C GLY A 40 -12.892 -6.205 19.298 1.00 0.00 C ATOM 634 O GLY A 40 -13.176 -5.347 20.135 1.00 0.00 O ATOM 0 H GLY A 40 -13.105 -7.805 16.952 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.442 -4.995 17.590 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.040 -5.713 17.559 1.00 0.00 H new ATOM 638 N ARG A 41 -12.477 -7.420 19.624 1.00 0.00 N ATOM 639 CA ARG A 41 -12.336 -7.837 21.012 1.00 0.00 C ATOM 640 C ARG A 41 -11.080 -7.220 21.624 1.00 0.00 C ATOM 641 O ARG A 41 -11.055 -6.878 22.807 1.00 0.00 O ATOM 642 CB ARG A 41 -12.277 -9.363 21.092 1.00 0.00 C ATOM 643 CG ARG A 41 -12.193 -9.906 22.505 1.00 0.00 C ATOM 644 CD ARG A 41 -12.056 -11.419 22.504 1.00 0.00 C ATOM 645 NE ARG A 41 -11.908 -11.953 23.857 1.00 0.00 N ATOM 646 CZ ARG A 41 -10.818 -12.581 24.289 1.00 0.00 C ATOM 647 NH1 ARG A 41 -9.783 -12.751 23.477 1.00 0.00 N ATOM 648 NH2 ARG A 41 -10.769 -13.040 25.536 1.00 0.00 N ATOM 0 H ARG A 41 -12.231 -8.138 18.943 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.200 -7.489 21.578 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.162 -9.776 20.608 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.412 -9.713 20.528 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.341 -9.461 23.018 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.085 -9.619 23.061 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.933 -11.863 22.032 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.192 -11.705 21.904 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.685 -11.837 24.507 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.822 -12.400 22.520 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.948 -13.233 23.809 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.566 -12.910 26.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.934 -13.522 25.870 1.00 0.00 H new ATOM 662 N PHE A 42 -10.044 -7.069 20.805 1.00 0.00 N ATOM 663 CA PHE A 42 -8.808 -6.414 21.228 1.00 0.00 C ATOM 664 C PHE A 42 -8.906 -4.898 21.072 1.00 0.00 C ATOM 665 O PHE A 42 -7.891 -4.214 20.916 1.00 0.00 O ATOM 666 CB PHE A 42 -7.620 -6.945 20.422 1.00 0.00 C ATOM 667 CG PHE A 42 -7.325 -8.395 20.673 1.00 0.00 C ATOM 668 CD1 PHE A 42 -7.270 -8.886 21.966 1.00 0.00 C ATOM 669 CD2 PHE A 42 -7.095 -9.263 19.619 1.00 0.00 C ATOM 670 CE1 PHE A 42 -6.994 -10.218 22.206 1.00 0.00 C ATOM 671 CE2 PHE A 42 -6.819 -10.597 19.851 1.00 0.00 C ATOM 672 CZ PHE A 42 -6.768 -11.075 21.147 1.00 0.00 C ATOM 0 H PHE A 42 -10.035 -7.393 19.838 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.654 -6.641 22.283 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.819 -6.802 19.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.735 -6.356 20.663 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.445 -8.219 22.798 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.132 -8.894 18.605 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.955 -10.588 23.220 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.643 -11.265 19.021 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.552 -12.117 21.331 1.00 0.00 H new ATOM 682 N GLU A 43 -10.134 -4.391 21.132 1.00 0.00 N ATOM 683 CA GLU A 43 -10.413 -2.957 21.055 1.00 0.00 C ATOM 684 C GLU A 43 -10.008 -2.362 19.706 1.00 0.00 C ATOM 685 O GLU A 43 -10.756 -2.442 18.727 1.00 0.00 O ATOM 686 CB GLU A 43 -9.715 -2.192 22.189 1.00 0.00 C ATOM 687 CG GLU A 43 -10.228 -2.537 23.575 1.00 0.00 C ATOM 688 CD GLU A 43 -11.707 -2.253 23.729 1.00 0.00 C ATOM 689 OE1 GLU A 43 -12.101 -1.068 23.676 1.00 0.00 O ATOM 690 OE2 GLU A 43 -12.482 -3.215 23.888 1.00 0.00 O ATOM 0 H GLU A 43 -10.970 -4.966 21.236 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.492 -2.847 21.163 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.645 -2.398 22.147 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.841 -1.122 22.022 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.040 -3.591 23.777 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.672 -1.966 24.318 1.00 0.00 H new ATOM 697 N GLU A 44 -8.812 -1.788 19.663 1.00 0.00 N ATOM 698 CA GLU A 44 -8.349 -1.031 18.512 1.00 0.00 C ATOM 699 C GLU A 44 -6.827 -0.902 18.547 1.00 0.00 C ATOM 700 O GLU A 44 -6.271 -0.092 19.290 1.00 0.00 O ATOM 701 CB GLU A 44 -9.023 0.345 18.513 1.00 0.00 C ATOM 702 CG GLU A 44 -8.922 1.069 19.850 1.00 0.00 C ATOM 703 CD GLU A 44 -9.913 2.200 19.989 1.00 0.00 C ATOM 704 OE1 GLU A 44 -9.597 3.333 19.570 1.00 0.00 O ATOM 705 OE2 GLU A 44 -11.011 1.969 20.537 1.00 0.00 O ATOM 0 H GLU A 44 -8.137 -1.836 20.426 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.617 -1.551 17.593 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.570 0.964 17.738 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.074 0.226 18.251 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.081 0.353 20.657 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.912 1.462 19.968 1.00 0.00 H new ATOM 712 N THR A 45 -6.155 -1.724 17.765 1.00 0.00 N ATOM 713 CA THR A 45 -4.701 -1.764 17.782 1.00 0.00 C ATOM 714 C THR A 45 -4.111 -0.820 16.731 1.00 0.00 C ATOM 715 O THR A 45 -4.837 -0.257 15.908 1.00 0.00 O ATOM 716 CB THR A 45 -4.176 -3.204 17.568 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.763 -3.256 17.791 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.492 -3.705 16.166 1.00 0.00 C ATOM 0 H THR A 45 -6.590 -2.374 17.110 1.00 0.00 H new ATOM 0 HA THR A 45 -4.377 -1.427 18.767 1.00 0.00 H new ATOM 0 HB THR A 45 -4.680 -3.851 18.286 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.444 -4.172 17.654 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.110 -4.719 16.047 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.571 -3.703 16.014 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.021 -3.052 15.431 1.00 0.00 H new ATOM 726 N LYS A 46 -2.797 -0.647 16.775 1.00 0.00 N ATOM 727 CA LYS A 46 -2.107 0.241 15.854 1.00 0.00 C ATOM 728 C LYS A 46 -1.453 -0.560 14.740 1.00 0.00 C ATOM 729 O LYS A 46 -0.728 -1.524 14.997 1.00 0.00 O ATOM 730 CB LYS A 46 -1.044 1.062 16.586 1.00 0.00 C ATOM 731 CG LYS A 46 -1.610 1.977 17.659 1.00 0.00 C ATOM 732 CD LYS A 46 -0.517 2.772 18.350 1.00 0.00 C ATOM 733 CE LYS A 46 0.243 3.649 17.370 1.00 0.00 C ATOM 734 NZ LYS A 46 1.241 4.511 18.053 1.00 0.00 N ATOM 0 H LYS A 46 -2.185 -1.114 17.444 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.843 0.921 15.425 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.324 0.383 17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.498 1.663 15.859 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.331 2.661 17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.150 1.383 18.396 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.957 3.394 19.130 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.176 2.088 18.840 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.748 3.020 16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.461 4.274 16.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.737 5.093 17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.757 5.130 18.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.929 3.914 18.555 1.00 0.00 H new ATOM 748 N TYR A 47 -1.711 -0.160 13.507 1.00 0.00 N ATOM 749 CA TYR A 47 -1.158 -0.841 12.349 1.00 0.00 C ATOM 750 C TYR A 47 -0.012 -0.022 11.770 1.00 0.00 C ATOM 751 O TYR A 47 -0.021 1.206 11.848 1.00 0.00 O ATOM 752 CB TYR A 47 -2.246 -1.051 11.292 1.00 0.00 C ATOM 753 CG TYR A 47 -3.528 -1.629 11.851 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.655 -2.993 12.085 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.607 -0.807 12.155 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.821 -3.519 12.605 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.777 -1.328 12.673 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.879 -2.683 12.896 1.00 0.00 C ATOM 759 OH TYR A 47 -7.038 -3.203 13.420 1.00 0.00 O ATOM 0 H TYR A 47 -2.304 0.639 13.281 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.778 -1.816 12.655 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.466 -0.097 10.814 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.865 -1.716 10.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.830 -3.651 11.857 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.529 0.256 11.983 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.904 -4.581 12.783 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.607 -0.676 12.902 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.683 -2.480 13.568 1.00 0.00 H new ATOM 769 N PHE A 48 0.970 -0.695 11.198 1.00 0.00 N ATOM 770 CA PHE A 48 2.128 -0.016 10.637 1.00 0.00 C ATOM 771 C PHE A 48 2.330 -0.412 9.183 1.00 0.00 C ATOM 772 O PHE A 48 2.162 -1.580 8.820 1.00 0.00 O ATOM 773 CB PHE A 48 3.385 -0.338 11.448 1.00 0.00 C ATOM 774 CG PHE A 48 3.302 0.094 12.884 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.537 1.415 13.238 1.00 0.00 C ATOM 776 CD2 PHE A 48 2.991 -0.819 13.880 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.461 1.816 14.557 1.00 0.00 C ATOM 778 CE2 PHE A 48 2.913 -0.423 15.201 1.00 0.00 C ATOM 779 CZ PHE A 48 3.150 0.896 15.539 1.00 0.00 C ATOM 0 H PHE A 48 0.990 -1.711 11.109 1.00 0.00 H new ATOM 0 HA PHE A 48 1.947 1.058 10.684 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.566 -1.412 11.411 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.242 0.146 10.981 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.782 2.137 12.473 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.808 -1.851 13.620 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.644 2.847 14.820 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.667 -1.142 15.968 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.092 1.207 16.571 1.00 0.00 H new ATOM 789 N ILE A 49 2.682 0.562 8.360 1.00 0.00 N ATOM 790 CA ILE A 49 2.869 0.336 6.939 1.00 0.00 C ATOM 791 C ILE A 49 4.259 0.783 6.481 1.00 0.00 C ATOM 792 O ILE A 49 4.723 1.880 6.810 1.00 0.00 O ATOM 793 CB ILE A 49 1.784 1.063 6.109 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.996 0.821 4.612 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.771 2.553 6.422 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.962 1.495 3.736 1.00 0.00 C ATOM 0 H ILE A 49 2.845 1.524 8.656 1.00 0.00 H new ATOM 0 HA ILE A 49 2.777 -0.737 6.771 1.00 0.00 H new ATOM 0 HB ILE A 49 0.812 0.653 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.987 1.179 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.979 -0.252 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.000 3.043 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.560 2.700 7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.743 2.984 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.176 1.280 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.030 1.119 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.994 2.572 3.899 1.00 0.00 H new ATOM 808 N ARG A 50 4.927 -0.095 5.750 1.00 0.00 N ATOM 809 CA ARG A 50 6.208 0.213 5.133 1.00 0.00 C ATOM 810 C ARG A 50 6.356 -0.645 3.890 1.00 0.00 C ATOM 811 O ARG A 50 5.920 -1.789 3.884 1.00 0.00 O ATOM 812 CB ARG A 50 7.365 -0.066 6.101 1.00 0.00 C ATOM 813 CG ARG A 50 8.706 0.467 5.620 1.00 0.00 C ATOM 814 CD ARG A 50 9.834 0.063 6.556 1.00 0.00 C ATOM 815 NE ARG A 50 10.187 -1.352 6.424 1.00 0.00 N ATOM 816 CZ ARG A 50 10.583 -2.124 7.437 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.642 -1.639 8.668 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.929 -3.386 7.219 1.00 0.00 N ATOM 0 H ARG A 50 4.596 -1.042 5.567 1.00 0.00 H new ATOM 0 HA ARG A 50 6.240 1.271 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.133 0.379 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.446 -1.142 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.910 0.090 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.662 1.554 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.712 0.675 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.539 0.267 7.585 1.00 0.00 H new ATOM 0 HE ARG A 50 10.126 -1.775 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.384 -0.669 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.946 -2.236 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.893 -3.769 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.231 -3.973 7.996 1.00 0.00 H new ATOM 832 N TYR A 51 6.935 -0.109 2.833 1.00 0.00 N ATOM 833 CA TYR A 51 7.111 -0.889 1.616 1.00 0.00 C ATOM 834 C TYR A 51 8.525 -0.732 1.084 1.00 0.00 C ATOM 835 O TYR A 51 9.264 0.150 1.521 1.00 0.00 O ATOM 836 CB TYR A 51 6.084 -0.487 0.549 1.00 0.00 C ATOM 837 CG TYR A 51 6.309 0.877 -0.065 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.833 2.027 0.549 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.988 1.009 -1.270 1.00 0.00 C ATOM 840 CE1 TYR A 51 6.027 3.270 -0.023 1.00 0.00 C ATOM 841 CE2 TYR A 51 7.189 2.247 -1.845 1.00 0.00 C ATOM 842 CZ TYR A 51 6.705 3.375 -1.219 1.00 0.00 C ATOM 843 OH TYR A 51 6.898 4.611 -1.791 1.00 0.00 O ATOM 0 H TYR A 51 7.288 0.847 2.788 1.00 0.00 H new ATOM 0 HA TYR A 51 6.947 -1.939 1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.095 -1.234 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.090 -0.510 0.995 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.303 1.949 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.365 0.127 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.649 4.156 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.723 2.331 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 51 6.777 5.308 -1.113 1.00 0.00 H new ATOM 853 N PHE A 52 8.899 -1.592 0.154 1.00 0.00 N ATOM 854 CA PHE A 52 10.218 -1.544 -0.444 1.00 0.00 C ATOM 855 C PHE A 52 10.121 -1.742 -1.949 1.00 0.00 C ATOM 856 O PHE A 52 9.572 -2.740 -2.418 1.00 0.00 O ATOM 857 CB PHE A 52 11.108 -2.624 0.182 1.00 0.00 C ATOM 858 CG PHE A 52 12.550 -2.544 -0.231 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.423 -1.695 0.428 1.00 0.00 C ATOM 860 CD2 PHE A 52 13.033 -3.318 -1.273 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.750 -1.620 0.056 1.00 0.00 C ATOM 862 CE2 PHE A 52 14.359 -3.246 -1.650 1.00 0.00 C ATOM 863 CZ PHE A 52 15.218 -2.396 -0.985 1.00 0.00 C ATOM 0 H PHE A 52 8.302 -2.337 -0.205 1.00 0.00 H new ATOM 0 HA PHE A 52 10.661 -0.566 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.047 -2.546 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.717 -3.605 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.061 -1.085 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.365 -3.985 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.421 -0.955 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.723 -3.854 -2.465 1.00 0.00 H new ATOM 0 HZ PHE A 52 16.256 -2.338 -1.279 1.00 0.00 H new ATOM 873 N GLN A 53 10.631 -0.779 -2.702 1.00 0.00 N ATOM 874 CA GLN A 53 10.654 -0.885 -4.152 1.00 0.00 C ATOM 875 C GLN A 53 12.095 -0.999 -4.655 1.00 0.00 C ATOM 876 O GLN A 53 12.853 -0.031 -4.639 1.00 0.00 O ATOM 877 CB GLN A 53 9.933 0.305 -4.811 1.00 0.00 C ATOM 878 CG GLN A 53 10.432 1.675 -4.370 1.00 0.00 C ATOM 879 CD GLN A 53 9.795 2.808 -5.157 1.00 0.00 C ATOM 880 OE1 GLN A 53 10.311 3.225 -6.196 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.675 3.321 -4.671 1.00 0.00 N ATOM 0 H GLN A 53 11.034 0.083 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 53 10.117 -1.791 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.042 0.225 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.868 0.234 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.221 1.811 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.515 1.719 -4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.277 2.950 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.211 4.087 -5.159 1.00 0.00 H new ATOM 890 N PRO A 54 12.503 -2.209 -5.063 1.00 0.00 N ATOM 891 CA PRO A 54 13.830 -2.454 -5.629 1.00 0.00 C ATOM 892 C PRO A 54 13.944 -1.924 -7.054 1.00 0.00 C ATOM 893 O PRO A 54 15.043 -1.697 -7.559 1.00 0.00 O ATOM 894 CB PRO A 54 13.966 -3.985 -5.615 1.00 0.00 C ATOM 895 CG PRO A 54 12.779 -4.498 -4.867 1.00 0.00 C ATOM 896 CD PRO A 54 11.719 -3.445 -4.983 1.00 0.00 C ATOM 0 HA PRO A 54 14.612 -1.948 -5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.990 -4.384 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.894 -4.290 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.435 -5.444 -5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.029 -4.684 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.099 -3.590 -5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.051 -3.446 -4.122 1.00 0.00 H new ATOM 904 N ASP A 55 12.800 -1.738 -7.694 1.00 0.00 N ATOM 905 CA ASP A 55 12.758 -1.195 -9.045 1.00 0.00 C ATOM 906 C ASP A 55 12.470 0.295 -8.996 1.00 0.00 C ATOM 907 O ASP A 55 11.862 0.783 -8.040 1.00 0.00 O ATOM 908 CB ASP A 55 11.687 -1.896 -9.887 1.00 0.00 C ATOM 909 CG ASP A 55 12.028 -3.340 -10.190 1.00 0.00 C ATOM 910 OD1 ASP A 55 12.694 -3.600 -11.215 1.00 0.00 O ATOM 911 OD2 ASP A 55 11.625 -4.226 -9.409 1.00 0.00 O ATOM 0 H ASP A 55 11.885 -1.955 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 55 13.730 -1.366 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.734 -1.856 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.556 -1.354 -10.824 1.00 0.00 H new ATOM 916 N GLY A 56 12.915 1.017 -10.015 1.00 0.00 N ATOM 917 CA GLY A 56 12.632 2.435 -10.097 1.00 0.00 C ATOM 918 C GLY A 56 11.174 2.693 -10.412 1.00 0.00 C ATOM 919 O GLY A 56 10.759 2.653 -11.573 1.00 0.00 O ATOM 0 H GLY A 56 13.468 0.645 -10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.891 2.914 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.257 2.888 -10.867 1.00 0.00 H new ATOM 923 N ALA A 57 10.393 2.951 -9.380 1.00 0.00 N ATOM 924 CA ALA A 57 8.965 3.095 -9.531 1.00 0.00 C ATOM 925 C ALA A 57 8.504 4.498 -9.154 1.00 0.00 C ATOM 926 O ALA A 57 9.299 5.440 -9.149 1.00 0.00 O ATOM 927 CB ALA A 57 8.263 2.041 -8.702 1.00 0.00 C ATOM 0 H ALA A 57 10.730 3.065 -8.424 1.00 0.00 H new ATOM 0 HA ALA A 57 8.705 2.950 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.184 2.148 -8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.566 1.050 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.532 2.164 -7.653 1.00 0.00 H new ATOM 933 N GLY A 58 7.224 4.632 -8.832 1.00 0.00 N ATOM 934 CA GLY A 58 6.660 5.942 -8.585 1.00 0.00 C ATOM 935 C GLY A 58 6.517 6.258 -7.112 1.00 0.00 C ATOM 936 O GLY A 58 7.141 5.621 -6.262 1.00 0.00 O ATOM 0 H GLY A 58 6.568 3.857 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.292 6.697 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.681 6.005 -9.061 1.00 0.00 H new ATOM 940 N THR A 59 5.674 7.235 -6.819 1.00 0.00 N ATOM 941 CA THR A 59 5.505 7.732 -5.466 1.00 0.00 C ATOM 942 C THR A 59 4.181 7.249 -4.870 1.00 0.00 C ATOM 943 O THR A 59 3.123 7.402 -5.483 1.00 0.00 O ATOM 944 CB THR A 59 5.545 9.271 -5.455 1.00 0.00 C ATOM 945 OG1 THR A 59 6.730 9.733 -6.126 1.00 0.00 O ATOM 946 CG2 THR A 59 5.526 9.812 -4.034 1.00 0.00 C ATOM 0 H THR A 59 5.090 7.704 -7.511 1.00 0.00 H new ATOM 0 HA THR A 59 6.324 7.345 -4.859 1.00 0.00 H new ATOM 0 HB THR A 59 4.659 9.635 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.750 10.713 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.555 10.901 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.615 9.485 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.394 9.438 -3.491 1.00 0.00 H new ATOM 954 N LEU A 60 4.250 6.662 -3.683 1.00 0.00 N ATOM 955 CA LEU A 60 3.066 6.143 -3.014 1.00 0.00 C ATOM 956 C LEU A 60 2.600 7.089 -1.909 1.00 0.00 C ATOM 957 O LEU A 60 3.364 7.431 -1.006 1.00 0.00 O ATOM 958 CB LEU A 60 3.359 4.755 -2.428 1.00 0.00 C ATOM 959 CG LEU A 60 2.180 4.077 -1.720 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.033 3.837 -2.687 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.618 2.766 -1.086 1.00 0.00 C ATOM 0 H LEU A 60 5.117 6.533 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 60 2.267 6.061 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.700 4.104 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.183 4.845 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 60 1.831 4.745 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.209 3.355 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.696 4.790 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.371 3.194 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.767 2.300 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.997 2.097 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.404 2.960 -0.356 1.00 0.00 H new ATOM 973 N LYS A 61 1.355 7.524 -2.000 1.00 0.00 N ATOM 974 CA LYS A 61 0.748 8.341 -0.961 1.00 0.00 C ATOM 975 C LYS A 61 -0.314 7.539 -0.220 1.00 0.00 C ATOM 976 O LYS A 61 -0.792 6.515 -0.705 1.00 0.00 O ATOM 977 CB LYS A 61 0.086 9.592 -1.553 1.00 0.00 C ATOM 978 CG LYS A 61 1.021 10.542 -2.283 1.00 0.00 C ATOM 979 CD LYS A 61 0.245 11.738 -2.828 1.00 0.00 C ATOM 980 CE LYS A 61 1.117 12.664 -3.667 1.00 0.00 C ATOM 981 NZ LYS A 61 2.180 13.311 -2.858 1.00 0.00 N ATOM 0 H LYS A 61 0.740 7.324 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 61 1.541 8.645 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.695 9.276 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.403 10.139 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.802 10.886 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.516 10.018 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.588 11.381 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.182 12.300 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.573 12.096 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.494 13.431 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.322 14.287 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.897 13.321 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.067 12.778 -2.961 1.00 0.00 H new ATOM 995 N MET A 62 -0.673 8.011 0.955 1.00 0.00 N ATOM 996 CA MET A 62 -1.794 7.463 1.695 1.00 0.00 C ATOM 997 C MET A 62 -2.943 8.465 1.643 1.00 0.00 C ATOM 998 O MET A 62 -2.707 9.648 1.402 1.00 0.00 O ATOM 999 CB MET A 62 -1.370 7.164 3.140 1.00 0.00 C ATOM 1000 CG MET A 62 -2.453 6.524 3.994 1.00 0.00 C ATOM 1001 SD MET A 62 -1.840 5.949 5.588 1.00 0.00 S ATOM 1002 CE MET A 62 -1.071 7.438 6.219 1.00 0.00 C ATOM 0 H MET A 62 -0.199 8.783 1.424 1.00 0.00 H new ATOM 0 HA MET A 62 -2.125 6.524 1.251 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.502 6.505 3.122 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.054 8.094 3.613 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.254 7.245 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.887 5.683 3.452 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.819 7.300 7.271 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.163 7.647 5.653 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.762 8.275 6.118 1.00 0.00 H new ATOM 1012 N SER A 63 -4.174 8.001 1.849 1.00 0.00 N ATOM 1013 CA SER A 63 -5.356 8.864 1.756 1.00 0.00 C ATOM 1014 C SER A 63 -5.270 10.076 2.694 1.00 0.00 C ATOM 1015 O SER A 63 -5.966 11.071 2.498 1.00 0.00 O ATOM 1016 CB SER A 63 -6.623 8.067 2.063 1.00 0.00 C ATOM 1017 OG SER A 63 -7.782 8.821 1.749 1.00 0.00 O ATOM 0 H SER A 63 -4.382 7.030 2.082 1.00 0.00 H new ATOM 0 HA SER A 63 -5.394 9.239 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.622 7.139 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.638 7.791 3.117 1.00 0.00 H new ATOM 0 HG SER A 63 -8.575 8.362 2.096 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.422 9.990 3.712 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.223 11.099 4.642 1.00 0.00 C ATOM 1025 C ASP A 64 -3.486 12.249 3.953 1.00 0.00 C ATOM 1026 O ASP A 64 -3.585 13.409 4.358 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.431 10.623 5.865 1.00 0.00 C ATOM 1028 CG ASP A 64 -3.243 11.711 6.903 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -4.165 11.928 7.716 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -2.169 12.350 6.917 1.00 0.00 O ATOM 0 H ASP A 64 -3.860 9.164 3.916 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.199 11.459 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.948 9.778 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.454 10.263 5.542 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.783 11.919 2.879 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.961 12.892 2.187 1.00 0.00 C ATOM 1037 C GLY A 65 -0.491 12.628 2.416 1.00 0.00 C ATOM 1038 O GLY A 65 0.368 13.254 1.798 1.00 0.00 O ATOM 0 H GLY A 65 -2.768 10.984 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.177 12.860 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.211 13.895 2.533 1.00 0.00 H new ATOM 1042 N THR A 66 -0.215 11.680 3.298 1.00 0.00 N ATOM 1043 CA THR A 66 1.146 11.311 3.649 1.00 0.00 C ATOM 1044 C THR A 66 1.848 10.627 2.482 1.00 0.00 C ATOM 1045 O THR A 66 1.288 9.727 1.852 1.00 0.00 O ATOM 1046 CB THR A 66 1.140 10.351 4.849 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.002 10.626 5.672 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.416 10.490 5.669 1.00 0.00 C ATOM 0 H THR A 66 -0.930 11.145 3.791 1.00 0.00 H new ATOM 0 HA THR A 66 1.682 12.226 3.902 1.00 0.00 H new ATOM 0 HB THR A 66 1.089 9.328 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.009 10.014 6.437 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.384 9.799 6.511 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.278 10.259 5.043 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.500 11.511 6.040 1.00 0.00 H new ATOM 1056 N VAL A 67 3.063 11.061 2.189 1.00 0.00 N ATOM 1057 CA VAL A 67 3.888 10.391 1.199 1.00 0.00 C ATOM 1058 C VAL A 67 4.699 9.302 1.881 1.00 0.00 C ATOM 1059 O VAL A 67 5.392 9.563 2.862 1.00 0.00 O ATOM 1060 CB VAL A 67 4.834 11.374 0.478 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.745 10.640 -0.495 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.029 12.437 -0.247 1.00 0.00 C ATOM 0 H VAL A 67 3.499 11.874 2.623 1.00 0.00 H new ATOM 0 HA VAL A 67 3.230 9.957 0.446 1.00 0.00 H new ATOM 0 HB VAL A 67 5.462 11.857 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.401 11.356 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.347 9.912 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.140 10.126 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.707 13.125 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.379 11.963 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.422 12.988 0.472 1.00 0.00 H new ATOM 1072 N LEU A 68 4.599 8.091 1.375 1.00 0.00 N ATOM 1073 CA LEU A 68 5.221 6.951 2.018 1.00 0.00 C ATOM 1074 C LEU A 68 6.596 6.676 1.422 1.00 0.00 C ATOM 1075 O LEU A 68 6.720 6.312 0.252 1.00 0.00 O ATOM 1076 CB LEU A 68 4.320 5.724 1.876 1.00 0.00 C ATOM 1077 CG LEU A 68 2.874 5.923 2.341 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.049 4.680 2.056 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.829 6.266 3.823 1.00 0.00 C ATOM 0 H LEU A 68 4.092 7.869 0.518 1.00 0.00 H new ATOM 0 HA LEU A 68 5.353 7.175 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.310 5.419 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.758 4.903 2.443 1.00 0.00 H new ATOM 0 HG LEU A 68 2.446 6.757 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.024 4.838 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.052 4.479 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.478 3.829 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.793 6.403 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.276 5.455 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.386 7.186 4.001 1.00 0.00 H new ATOM 1091 N LEU A 69 7.627 6.891 2.219 1.00 0.00 N ATOM 1092 CA LEU A 69 8.982 6.561 1.817 1.00 0.00 C ATOM 1093 C LEU A 69 9.366 5.192 2.372 1.00 0.00 C ATOM 1094 O LEU A 69 8.968 4.833 3.478 1.00 0.00 O ATOM 1095 CB LEU A 69 9.986 7.620 2.305 1.00 0.00 C ATOM 1096 CG LEU A 69 9.980 8.957 1.546 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.094 8.721 0.048 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.734 9.771 1.869 1.00 0.00 C ATOM 0 H LEU A 69 7.551 7.295 3.153 1.00 0.00 H new ATOM 0 HA LEU A 69 9.016 6.540 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.787 7.822 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.988 7.196 2.245 1.00 0.00 H new ATOM 0 HG LEU A 69 10.846 9.532 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.088 9.679 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.025 8.196 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.251 8.119 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.760 10.710 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.846 9.206 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.703 9.980 2.938 1.00 0.00 H new ATOM 1110 N PRO A 70 10.150 4.410 1.614 1.00 0.00 N ATOM 1111 CA PRO A 70 10.602 3.077 2.040 1.00 0.00 C ATOM 1112 C PRO A 70 11.591 3.140 3.203 1.00 0.00 C ATOM 1113 O PRO A 70 12.040 2.112 3.712 1.00 0.00 O ATOM 1114 CB PRO A 70 11.295 2.508 0.793 1.00 0.00 C ATOM 1115 CG PRO A 70 10.885 3.399 -0.333 1.00 0.00 C ATOM 1116 CD PRO A 70 10.652 4.749 0.278 1.00 0.00 C ATOM 0 HA PRO A 70 9.770 2.470 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.378 2.502 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.989 1.478 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.660 3.445 -1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.982 3.027 -0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.569 5.337 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.929 5.333 -0.291 1.00 0.00 H new ATOM 1124 N ASN A 71 11.921 4.353 3.617 1.00 0.00 N ATOM 1125 CA ASN A 71 12.899 4.573 4.672 1.00 0.00 C ATOM 1126 C ASN A 71 12.260 4.494 6.056 1.00 0.00 C ATOM 1127 O ASN A 71 12.883 4.027 7.010 1.00 0.00 O ATOM 1128 CB ASN A 71 13.566 5.940 4.484 1.00 0.00 C ATOM 1129 CG ASN A 71 14.566 6.268 5.579 1.00 0.00 C ATOM 1130 OD1 ASN A 71 15.741 5.909 5.490 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.120 6.978 6.606 1.00 0.00 N ATOM 0 H ASN A 71 11.521 5.209 3.234 1.00 0.00 H new ATOM 0 HA ASN A 71 13.649 3.785 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.072 5.961 3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.798 6.713 4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.757 7.245 7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.140 7.257 6.646 1.00 0.00 H new ATOM 1138 N ASP A 72 11.014 4.932 6.163 1.00 0.00 N ATOM 1139 CA ASP A 72 10.367 5.065 7.464 1.00 0.00 C ATOM 1140 C ASP A 72 9.170 4.132 7.594 1.00 0.00 C ATOM 1141 O ASP A 72 8.664 3.609 6.601 1.00 0.00 O ATOM 1142 CB ASP A 72 9.917 6.510 7.696 1.00 0.00 C ATOM 1143 CG ASP A 72 11.080 7.473 7.874 1.00 0.00 C ATOM 1144 OD1 ASP A 72 11.540 7.655 9.019 1.00 0.00 O ATOM 1145 OD2 ASP A 72 11.534 8.065 6.869 1.00 0.00 O ATOM 0 H ASP A 72 10.432 5.201 5.370 1.00 0.00 H new ATOM 0 HA ASP A 72 11.102 4.788 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.309 6.835 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.281 6.549 8.581 1.00 0.00 H new ATOM 1150 N LEU A 73 8.731 3.929 8.830 1.00 0.00 N ATOM 1151 CA LEU A 73 7.559 3.120 9.119 1.00 0.00 C ATOM 1152 C LEU A 73 6.409 4.030 9.536 1.00 0.00 C ATOM 1153 O LEU A 73 6.510 4.758 10.527 1.00 0.00 O ATOM 1154 CB LEU A 73 7.883 2.120 10.234 1.00 0.00 C ATOM 1155 CG LEU A 73 6.755 1.160 10.626 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.366 0.274 9.454 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.175 0.312 11.819 1.00 0.00 C ATOM 0 H LEU A 73 9.179 4.321 9.658 1.00 0.00 H new ATOM 0 HA LEU A 73 7.266 2.564 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.745 1.529 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.181 2.679 11.121 1.00 0.00 H new ATOM 0 HG LEU A 73 5.884 1.752 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.564 -0.399 9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.025 0.895 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.230 -0.311 9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.364 -0.366 12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.061 -0.267 11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.400 0.961 12.665 1.00 0.00 H new ATOM 1169 N TYR A 74 5.327 4.000 8.778 1.00 0.00 N ATOM 1170 CA TYR A 74 4.212 4.906 9.013 1.00 0.00 C ATOM 1171 C TYR A 74 3.069 4.186 9.719 1.00 0.00 C ATOM 1172 O TYR A 74 2.878 2.986 9.531 1.00 0.00 O ATOM 1173 CB TYR A 74 3.721 5.494 7.690 1.00 0.00 C ATOM 1174 CG TYR A 74 4.804 6.202 6.907 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.050 7.556 7.088 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.581 5.512 5.985 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.039 8.201 6.371 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.570 6.150 5.268 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.795 7.493 5.464 1.00 0.00 C ATOM 1180 OH TYR A 74 7.779 8.126 4.742 1.00 0.00 O ATOM 0 H TYR A 74 5.195 3.360 7.995 1.00 0.00 H new ATOM 0 HA TYR A 74 4.560 5.715 9.655 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.305 4.694 7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.911 6.195 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.459 8.114 7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.407 4.458 5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.218 9.255 6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.166 5.598 4.556 1.00 0.00 H new ATOM 0 HH TYR A 74 8.581 8.223 5.297 1.00 0.00 H new ATOM 1190 N PRO A 75 2.312 4.904 10.558 1.00 0.00 N ATOM 1191 CA PRO A 75 1.153 4.345 11.239 1.00 0.00 C ATOM 1192 C PRO A 75 -0.116 4.420 10.390 1.00 0.00 C ATOM 1193 O PRO A 75 -0.437 5.464 9.813 1.00 0.00 O ATOM 1194 CB PRO A 75 1.029 5.227 12.478 1.00 0.00 C ATOM 1195 CG PRO A 75 1.567 6.560 12.063 1.00 0.00 C ATOM 1196 CD PRO A 75 2.539 6.315 10.929 1.00 0.00 C ATOM 0 HA PRO A 75 1.274 3.285 11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.008 5.305 12.804 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.596 4.816 13.313 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.760 7.218 11.743 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.066 7.051 12.899 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.348 6.983 10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.569 6.484 11.243 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.826 3.302 10.316 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.082 3.229 9.583 1.00 0.00 C ATOM 1206 C LEU A 76 -3.228 3.730 10.452 1.00 0.00 C ATOM 1207 O LEU A 76 -3.536 3.140 11.487 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.361 1.795 9.120 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.485 1.298 7.970 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.722 -0.185 7.715 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.765 2.102 6.709 1.00 0.00 C ATOM 0 H LEU A 76 -0.550 2.426 10.759 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.000 3.865 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.231 1.125 9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.405 1.726 8.816 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.440 1.435 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.089 -0.519 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.479 -0.752 8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.768 -0.347 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.135 1.738 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.813 1.991 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.548 3.154 6.893 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.863 4.834 10.047 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.924 5.471 10.821 1.00 0.00 C ATOM 1225 C PRO A 77 -6.308 4.883 10.552 1.00 0.00 C ATOM 1226 O PRO A 77 -7.314 5.390 11.057 1.00 0.00 O ATOM 1227 CB PRO A 77 -4.856 6.913 10.332 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.434 6.807 8.903 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.581 5.566 8.798 1.00 0.00 C ATOM 0 HA PRO A 77 -4.784 5.341 11.894 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.822 7.409 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.142 7.496 10.914 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.301 6.738 8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.873 7.690 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.843 4.975 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.523 5.815 8.711 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.364 3.821 9.762 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.643 3.243 9.408 1.00 0.00 C ATOM 1239 C GLY A 78 -7.538 1.790 9.000 1.00 0.00 C ATOM 1240 O GLY A 78 -6.497 1.350 8.508 1.00 0.00 O ATOM 0 H GLY A 78 -5.552 3.352 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.322 3.329 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.081 3.815 8.590 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.619 1.047 9.212 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.674 -0.362 8.838 1.00 0.00 C ATOM 1246 C GLU A 79 -8.940 -0.502 7.341 1.00 0.00 C ATOM 1247 O GLU A 79 -8.337 -1.333 6.660 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.764 -1.096 9.631 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.641 -0.955 11.145 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.263 0.325 11.676 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.496 0.358 11.864 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -9.525 1.303 11.916 1.00 0.00 O ATOM 0 H GLU A 79 -9.473 1.399 9.643 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.710 -0.813 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.739 -0.719 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.734 -2.155 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.119 -1.810 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.587 -0.982 11.422 1.00 0.00 H new ATOM 1259 N THR A 80 -9.861 0.308 6.839 1.00 0.00 N ATOM 1260 CA THR A 80 -10.127 0.370 5.414 1.00 0.00 C ATOM 1261 C THR A 80 -9.482 1.621 4.833 1.00 0.00 C ATOM 1262 O THR A 80 -10.003 2.728 4.989 1.00 0.00 O ATOM 1263 CB THR A 80 -11.644 0.378 5.121 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.282 1.447 5.834 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.282 -0.947 5.514 1.00 0.00 C ATOM 0 H THR A 80 -10.437 0.933 7.403 1.00 0.00 H new ATOM 0 HA THR A 80 -9.702 -0.519 4.948 1.00 0.00 H new ATOM 0 HB THR A 80 -11.778 0.526 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.729 2.254 5.777 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.350 -0.915 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.821 -1.755 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.133 -1.121 6.580 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.341 1.451 4.186 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.563 2.588 3.725 1.00 0.00 C ATOM 1275 C PHE A 81 -7.248 2.480 2.239 1.00 0.00 C ATOM 1276 O PHE A 81 -7.151 1.382 1.685 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.269 2.715 4.541 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.398 1.487 4.509 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.612 0.445 5.397 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.366 1.380 3.593 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.814 -0.681 5.371 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.565 0.257 3.561 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.790 -0.776 4.451 1.00 0.00 C ATOM 0 H PHE A 81 -7.935 0.541 3.969 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.162 3.486 3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.697 3.563 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.526 2.938 5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.413 0.515 6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.186 2.185 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.991 -1.486 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.763 0.185 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.165 -1.657 4.426 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.113 3.627 1.595 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.747 3.679 0.193 1.00 0.00 C ATOM 1295 C ARG A 82 -5.379 4.337 0.036 1.00 0.00 C ATOM 1296 O ARG A 82 -5.083 5.348 0.681 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.810 4.441 -0.611 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.030 5.870 -0.142 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.148 6.553 -0.911 1.00 0.00 C ATOM 1300 NE ARG A 82 -9.296 7.956 -0.520 1.00 0.00 N ATOM 1301 CZ ARG A 82 -10.229 8.773 -1.009 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -11.136 8.318 -1.866 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -10.256 10.046 -0.640 1.00 0.00 N ATOM 0 H ARG A 82 -7.253 4.541 2.027 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.692 2.662 -0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.517 4.455 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.754 3.900 -0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.268 5.870 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.107 6.438 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.944 6.493 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.086 6.025 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.645 8.332 0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.121 7.339 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.848 8.947 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.563 10.401 0.018 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.970 10.671 -1.015 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.540 3.741 -0.793 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.218 4.281 -1.068 1.00 0.00 C ATOM 1319 C LEU A 83 -3.169 4.823 -2.488 1.00 0.00 C ATOM 1320 O LEU A 83 -3.663 4.187 -3.411 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.153 3.197 -0.884 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.100 2.556 0.504 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.075 1.434 0.529 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.772 3.600 1.563 1.00 0.00 C ATOM 0 H LEU A 83 -4.752 2.877 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.015 5.092 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.326 2.413 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.177 3.630 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.081 2.136 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.049 0.987 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.349 0.674 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.091 1.835 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.739 3.125 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.803 4.049 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.539 4.374 1.561 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.584 5.991 -2.662 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.516 6.614 -3.974 1.00 0.00 C ATOM 1338 C TYR A 84 -1.113 6.527 -4.547 1.00 0.00 C ATOM 1339 O TYR A 84 -0.222 7.288 -4.176 1.00 0.00 O ATOM 1340 CB TYR A 84 -2.994 8.065 -3.908 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.499 8.183 -3.924 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.187 8.219 -5.128 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.233 8.230 -2.746 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.563 8.301 -5.163 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.612 8.305 -2.772 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.271 8.342 -3.982 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.647 8.407 -4.015 1.00 0.00 O ATOM 0 H TYR A 84 -2.148 6.530 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.181 6.068 -4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.607 8.530 -3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.581 8.618 -4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.635 8.182 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.719 8.208 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.082 8.333 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.171 8.335 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.001 7.618 -4.477 1.00 0.00 H new ATOM 1357 N TYR A 85 -0.927 5.578 -5.448 1.00 0.00 N ATOM 1358 CA TYR A 85 0.367 5.324 -6.045 1.00 0.00 C ATOM 1359 C TYR A 85 0.478 5.982 -7.415 1.00 0.00 C ATOM 1360 O TYR A 85 -0.142 5.541 -8.379 1.00 0.00 O ATOM 1361 CB TYR A 85 0.590 3.816 -6.163 1.00 0.00 C ATOM 1362 CG TYR A 85 1.834 3.444 -6.930 1.00 0.00 C ATOM 1363 CD1 TYR A 85 3.092 3.832 -6.485 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.749 2.715 -8.109 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.228 3.499 -7.192 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.880 2.381 -8.819 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.114 2.774 -8.357 1.00 0.00 C ATOM 1368 OH TYR A 85 5.237 2.450 -9.071 1.00 0.00 O ATOM 0 H TYR A 85 -1.669 4.964 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 85 1.135 5.755 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.649 3.387 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.275 3.367 -6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.181 4.403 -5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.781 2.405 -8.474 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.200 3.805 -6.835 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.799 1.813 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 85 5.296 1.476 -9.164 1.00 0.00 H new ATOM 1378 N THR A 86 1.261 7.042 -7.494 1.00 0.00 N ATOM 1379 CA THR A 86 1.513 7.714 -8.756 1.00 0.00 C ATOM 1380 C THR A 86 2.709 7.069 -9.454 1.00 0.00 C ATOM 1381 O THR A 86 3.849 7.239 -9.022 1.00 0.00 O ATOM 1382 CB THR A 86 1.802 9.211 -8.537 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.798 9.787 -7.687 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.840 9.959 -9.859 1.00 0.00 C ATOM 0 H THR A 86 1.736 7.459 -6.694 1.00 0.00 H new ATOM 0 HA THR A 86 0.622 7.617 -9.376 1.00 0.00 H new ATOM 0 HB THR A 86 2.778 9.300 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.056 9.822 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.046 11.013 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.624 9.541 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.878 9.860 -10.361 1.00 0.00 H new ATOM 1392 N SER A 87 2.456 6.321 -10.516 1.00 0.00 N ATOM 1393 CA SER A 87 3.523 5.605 -11.195 1.00 0.00 C ATOM 1394 C SER A 87 4.099 6.436 -12.334 1.00 0.00 C ATOM 1395 O SER A 87 3.369 7.107 -13.067 1.00 0.00 O ATOM 1396 CB SER A 87 3.026 4.261 -11.727 1.00 0.00 C ATOM 1397 OG SER A 87 4.109 3.494 -12.234 1.00 0.00 O ATOM 0 H SER A 87 1.529 6.195 -10.923 1.00 0.00 H new ATOM 0 HA SER A 87 4.312 5.421 -10.466 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.525 3.711 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.289 4.425 -12.513 1.00 0.00 H new ATOM 0 HG SER A 87 3.993 2.555 -11.977 1.00 0.00 H new ATOM 1403 N ALA A 88 5.417 6.386 -12.470 1.00 0.00 N ATOM 1404 CA ALA A 88 6.110 7.098 -13.530 1.00 0.00 C ATOM 1405 C ALA A 88 6.943 6.127 -14.359 1.00 0.00 C ATOM 1406 O ALA A 88 7.865 6.526 -15.066 1.00 0.00 O ATOM 1407 CB ALA A 88 6.989 8.195 -12.941 1.00 0.00 C ATOM 0 H ALA A 88 6.031 5.854 -11.853 1.00 0.00 H new ATOM 0 HA ALA A 88 5.372 7.563 -14.184 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.503 8.721 -13.746 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.369 8.899 -12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.725 7.751 -12.270 1.00 0.00 H new ATOM 1413 N SER A 89 6.598 4.848 -14.279 1.00 0.00 N ATOM 1414 CA SER A 89 7.329 3.817 -14.998 1.00 0.00 C ATOM 1415 C SER A 89 6.359 2.918 -15.754 1.00 0.00 C ATOM 1416 O SER A 89 5.203 2.772 -15.359 1.00 0.00 O ATOM 1417 CB SER A 89 8.160 2.974 -14.027 1.00 0.00 C ATOM 1418 OG SER A 89 9.094 2.164 -14.723 1.00 0.00 O ATOM 0 H SER A 89 5.816 4.502 -13.723 1.00 0.00 H new ATOM 0 HA SER A 89 7.999 4.302 -15.708 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.688 3.628 -13.333 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.500 2.343 -13.432 1.00 0.00 H new ATOM 0 HG SER A 89 9.613 1.637 -14.080 1.00 0.00 H new ATOM 1424 N THR A 90 6.827 2.338 -16.850 1.00 0.00 N ATOM 1425 CA THR A 90 6.039 1.390 -17.615 1.00 0.00 C ATOM 1426 C THR A 90 6.640 -0.009 -17.486 1.00 0.00 C ATOM 1427 O THR A 90 6.167 -0.973 -18.093 1.00 0.00 O ATOM 1428 CB THR A 90 6.005 1.795 -19.098 1.00 0.00 C ATOM 1429 OG1 THR A 90 5.938 3.221 -19.210 1.00 0.00 O ATOM 1430 CG2 THR A 90 4.810 1.178 -19.803 1.00 0.00 C ATOM 0 H THR A 90 7.758 2.512 -17.230 1.00 0.00 H new ATOM 0 HA THR A 90 5.022 1.389 -17.223 1.00 0.00 H new ATOM 0 HB THR A 90 6.916 1.429 -19.572 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.918 3.474 -20.157 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.809 1.480 -20.850 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.871 0.092 -19.739 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.891 1.519 -19.327 1.00 0.00 H new ATOM 1438 N ASP A 91 7.690 -0.107 -16.685 1.00 0.00 N ATOM 1439 CA ASP A 91 8.413 -1.359 -16.516 1.00 0.00 C ATOM 1440 C ASP A 91 7.746 -2.192 -15.425 1.00 0.00 C ATOM 1441 O ASP A 91 6.808 -1.728 -14.781 1.00 0.00 O ATOM 1442 CB ASP A 91 9.871 -1.065 -16.156 1.00 0.00 C ATOM 1443 CG ASP A 91 10.772 -2.271 -16.313 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.134 -2.597 -17.461 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.137 -2.890 -15.297 1.00 0.00 O ATOM 0 H ASP A 91 8.062 0.670 -16.139 1.00 0.00 H new ATOM 0 HA ASP A 91 8.392 -1.925 -17.448 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.240 -0.257 -16.788 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.921 -0.712 -15.126 1.00 0.00 H new ATOM 1450 N GLN A 92 8.216 -3.417 -15.220 1.00 0.00 N ATOM 1451 CA GLN A 92 7.677 -4.258 -14.165 1.00 0.00 C ATOM 1452 C GLN A 92 8.217 -3.797 -12.818 1.00 0.00 C ATOM 1453 O GLN A 92 9.372 -4.045 -12.471 1.00 0.00 O ATOM 1454 CB GLN A 92 8.005 -5.732 -14.414 1.00 0.00 C ATOM 1455 CG GLN A 92 7.443 -6.661 -13.350 1.00 0.00 C ATOM 1456 CD GLN A 92 7.560 -8.125 -13.722 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.505 -8.492 -14.897 1.00 0.00 O ATOM 1458 NE2 GLN A 92 7.737 -8.972 -12.722 1.00 0.00 N ATOM 0 H GLN A 92 8.963 -3.845 -15.767 1.00 0.00 H new ATOM 0 HA GLN A 92 6.591 -4.164 -14.160 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.611 -6.025 -15.387 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.087 -5.854 -14.458 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.967 -6.487 -12.410 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.394 -6.418 -13.180 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.777 -8.627 -11.763 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.834 -9.970 -12.910 1.00 0.00 H new ATOM 1467 N GLN A 93 7.365 -3.107 -12.081 1.00 0.00 N ATOM 1468 CA GLN A 93 7.750 -2.471 -10.835 1.00 0.00 C ATOM 1469 C GLN A 93 7.449 -3.385 -9.658 1.00 0.00 C ATOM 1470 O GLN A 93 6.296 -3.747 -9.430 1.00 0.00 O ATOM 1471 CB GLN A 93 6.977 -1.158 -10.676 1.00 0.00 C ATOM 1472 CG GLN A 93 6.859 -0.372 -11.974 1.00 0.00 C ATOM 1473 CD GLN A 93 5.959 0.841 -11.854 1.00 0.00 C ATOM 1474 OE1 GLN A 93 4.747 0.754 -12.040 1.00 0.00 O ATOM 1475 NE2 GLN A 93 6.545 1.988 -11.562 1.00 0.00 N ATOM 0 H GLN A 93 6.385 -2.972 -12.330 1.00 0.00 H new ATOM 0 HA GLN A 93 8.821 -2.269 -10.856 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.978 -1.375 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.473 -0.540 -9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.852 -0.051 -12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.473 -1.027 -12.755 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.554 2.022 -11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.989 2.840 -11.484 1.00 0.00 H new ATOM 1484 N THR A 94 8.474 -3.759 -8.914 1.00 0.00 N ATOM 1485 CA THR A 94 8.282 -4.612 -7.758 1.00 0.00 C ATOM 1486 C THR A 94 8.000 -3.770 -6.519 1.00 0.00 C ATOM 1487 O THR A 94 8.894 -3.112 -5.987 1.00 0.00 O ATOM 1488 CB THR A 94 9.522 -5.491 -7.498 1.00 0.00 C ATOM 1489 OG1 THR A 94 9.952 -6.101 -8.720 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.222 -6.571 -6.467 1.00 0.00 C ATOM 0 H THR A 94 9.441 -3.487 -9.089 1.00 0.00 H new ATOM 0 HA THR A 94 7.430 -5.259 -7.966 1.00 0.00 H new ATOM 0 HB THR A 94 10.314 -4.852 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.392 -5.431 -9.283 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.114 -7.176 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.922 -6.105 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.414 -7.207 -6.830 1.00 0.00 H new ATOM 1498 N VAL A 95 6.753 -3.764 -6.084 1.00 0.00 N ATOM 1499 CA VAL A 95 6.380 -3.061 -4.872 1.00 0.00 C ATOM 1500 C VAL A 95 6.062 -4.067 -3.776 1.00 0.00 C ATOM 1501 O VAL A 95 4.995 -4.681 -3.773 1.00 0.00 O ATOM 1502 CB VAL A 95 5.156 -2.142 -5.095 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.871 -1.307 -3.856 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.361 -1.246 -6.306 1.00 0.00 C ATOM 0 H VAL A 95 5.982 -4.239 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 95 7.223 -2.435 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 95 4.292 -2.779 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.006 -0.669 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.665 -1.966 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.738 -0.686 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.486 -0.610 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.242 -0.623 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.502 -1.862 -7.194 1.00 0.00 H new ATOM 1514 N ASP A 96 7.003 -4.259 -2.868 1.00 0.00 N ATOM 1515 CA ASP A 96 6.809 -5.197 -1.772 1.00 0.00 C ATOM 1516 C ASP A 96 6.351 -4.441 -0.535 1.00 0.00 C ATOM 1517 O ASP A 96 7.110 -3.661 0.041 1.00 0.00 O ATOM 1518 CB ASP A 96 8.109 -5.956 -1.493 1.00 0.00 C ATOM 1519 CG ASP A 96 7.913 -7.134 -0.561 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.765 -7.590 -0.400 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.920 -7.640 -0.019 1.00 0.00 O ATOM 0 H ASP A 96 7.905 -3.782 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 96 6.043 -5.923 -2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.527 -6.310 -2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.838 -5.272 -1.058 1.00 0.00 H new ATOM 1526 N VAL A 97 5.104 -4.652 -0.147 1.00 0.00 N ATOM 1527 CA VAL A 97 4.513 -3.886 0.939 1.00 0.00 C ATOM 1528 C VAL A 97 4.385 -4.732 2.200 1.00 0.00 C ATOM 1529 O VAL A 97 3.943 -5.882 2.153 1.00 0.00 O ATOM 1530 CB VAL A 97 3.122 -3.333 0.556 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.651 -2.313 1.584 1.00 0.00 C ATOM 1532 CG2 VAL A 97 3.147 -2.722 -0.837 1.00 0.00 C ATOM 0 H VAL A 97 4.483 -5.344 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 97 5.182 -3.048 1.132 1.00 0.00 H new ATOM 0 HB VAL A 97 2.415 -4.163 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.670 -1.934 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.586 -2.787 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.360 -1.486 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.157 -2.340 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.868 -1.905 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.434 -3.483 -1.563 1.00 0.00 H new ATOM 1542 N TYR A 98 4.775 -4.150 3.321 1.00 0.00 N ATOM 1543 CA TYR A 98 4.742 -4.835 4.599 1.00 0.00 C ATOM 1544 C TYR A 98 3.690 -4.215 5.506 1.00 0.00 C ATOM 1545 O TYR A 98 3.783 -3.040 5.870 1.00 0.00 O ATOM 1546 CB TYR A 98 6.115 -4.760 5.273 1.00 0.00 C ATOM 1547 CG TYR A 98 7.241 -5.221 4.382 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.473 -6.569 4.176 1.00 0.00 C ATOM 1549 CD2 TYR A 98 8.061 -4.306 3.733 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.489 -6.999 3.353 1.00 0.00 C ATOM 1551 CE2 TYR A 98 9.081 -4.728 2.903 1.00 0.00 C ATOM 1552 CZ TYR A 98 9.291 -6.076 2.719 1.00 0.00 C ATOM 1553 OH TYR A 98 10.299 -6.510 1.888 1.00 0.00 O ATOM 0 H TYR A 98 5.122 -3.192 3.370 1.00 0.00 H new ATOM 0 HA TYR A 98 4.486 -5.880 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.304 -3.733 5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.103 -5.370 6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.846 -7.297 4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.898 -3.248 3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.657 -8.056 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.709 -4.006 2.402 1.00 0.00 H new ATOM 0 HH TYR A 98 9.943 -7.173 1.260 1.00 0.00 H new ATOM 1563 N PHE A 99 2.684 -5.000 5.852 1.00 0.00 N ATOM 1564 CA PHE A 99 1.658 -4.556 6.775 1.00 0.00 C ATOM 1565 C PHE A 99 1.791 -5.301 8.092 1.00 0.00 C ATOM 1566 O PHE A 99 1.587 -6.514 8.154 1.00 0.00 O ATOM 1567 CB PHE A 99 0.266 -4.785 6.187 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.026 -3.971 4.958 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.236 -2.607 5.050 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.108 -4.576 3.714 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.522 -1.859 3.926 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.393 -3.833 2.586 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.601 -2.473 2.693 1.00 0.00 C ATOM 0 H PHE A 99 2.557 -5.951 5.505 1.00 0.00 H new ATOM 0 HA PHE A 99 1.788 -3.488 6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.156 -5.842 5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.480 -4.554 6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.175 -2.122 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.053 -5.640 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.684 -0.795 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.453 -4.315 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.825 -1.890 1.812 1.00 0.00 H new ATOM 1583 N GLN A 100 2.153 -4.579 9.137 1.00 0.00 N ATOM 1584 CA GLN A 100 2.355 -5.183 10.442 1.00 0.00 C ATOM 1585 C GLN A 100 1.496 -4.496 11.490 1.00 0.00 C ATOM 1586 O GLN A 100 0.983 -3.400 11.260 1.00 0.00 O ATOM 1587 CB GLN A 100 3.831 -5.122 10.838 1.00 0.00 C ATOM 1588 CG GLN A 100 4.404 -3.717 10.888 1.00 0.00 C ATOM 1589 CD GLN A 100 5.895 -3.711 11.167 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.614 -2.814 10.737 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.375 -4.714 11.885 1.00 0.00 N ATOM 0 H GLN A 100 2.313 -3.572 9.108 1.00 0.00 H new ATOM 0 HA GLN A 100 2.055 -6.229 10.384 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.953 -5.587 11.816 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.411 -5.714 10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.212 -3.215 9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.890 -3.145 11.661 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.748 -5.443 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.372 -4.758 12.097 1.00 0.00 H new ATOM 1600 N ASP A 101 1.341 -5.138 12.634 1.00 0.00 N ATOM 1601 CA ASP A 101 0.506 -4.604 13.696 1.00 0.00 C ATOM 1602 C ASP A 101 1.241 -4.655 15.036 1.00 0.00 C ATOM 1603 O ASP A 101 2.341 -5.207 15.133 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.804 -5.388 13.784 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.702 -6.573 14.719 1.00 0.00 C ATOM 1606 OD1 ASP A 101 0.005 -7.546 14.388 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.311 -6.514 15.800 1.00 0.00 O ATOM 0 H ASP A 101 1.783 -6.031 12.852 1.00 0.00 H new ATOM 0 HA ASP A 101 0.280 -3.563 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.599 -4.725 14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.084 -5.736 12.790 1.00 0.00 H new ATOM 1612 N SER A 102 0.613 -4.106 16.068 1.00 0.00 N ATOM 1613 CA SER A 102 1.245 -3.977 17.375 1.00 0.00 C ATOM 1614 C SER A 102 1.355 -5.322 18.096 1.00 0.00 C ATOM 1615 O SER A 102 2.191 -5.485 18.987 1.00 0.00 O ATOM 1616 CB SER A 102 0.472 -2.979 18.233 1.00 0.00 C ATOM 1617 OG SER A 102 0.393 -1.715 17.590 1.00 0.00 O ATOM 0 H SER A 102 -0.339 -3.741 16.024 1.00 0.00 H new ATOM 0 HA SER A 102 2.259 -3.611 17.215 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.532 -3.358 18.424 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.961 -2.870 19.201 1.00 0.00 H new ATOM 0 HG SER A 102 -0.073 -1.812 16.733 1.00 0.00 H new ATOM 1623 N PHE A 103 0.532 -6.290 17.709 1.00 0.00 N ATOM 1624 CA PHE A 103 0.570 -7.602 18.339 1.00 0.00 C ATOM 1625 C PHE A 103 1.713 -8.439 17.780 1.00 0.00 C ATOM 1626 O PHE A 103 2.085 -9.461 18.359 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.761 -8.339 18.171 1.00 0.00 C ATOM 1628 CG PHE A 103 -1.903 -7.689 18.901 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -1.884 -7.582 20.282 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -2.994 -7.187 18.208 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -2.931 -6.988 20.958 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -4.043 -6.591 18.879 1.00 0.00 C ATOM 1633 CZ PHE A 103 -4.011 -6.490 20.256 1.00 0.00 C ATOM 0 H PHE A 103 -0.163 -6.192 16.969 1.00 0.00 H new ATOM 0 HA PHE A 103 0.740 -7.450 19.405 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.004 -8.396 17.110 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.648 -9.363 18.528 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.041 -7.968 20.836 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.023 -7.263 17.131 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.905 -6.913 22.035 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -4.887 -6.204 18.328 1.00 0.00 H new ATOM 0 HZ PHE A 103 -4.829 -6.022 20.783 1.00 0.00 H new ATOM 1643 N GLY A 104 2.274 -8.009 16.656 1.00 0.00 N ATOM 1644 CA GLY A 104 3.477 -8.642 16.156 1.00 0.00 C ATOM 1645 C GLY A 104 3.279 -9.422 14.873 1.00 0.00 C ATOM 1646 O GLY A 104 4.181 -10.140 14.441 1.00 0.00 O ATOM 0 H GLY A 104 1.920 -7.240 16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.235 -7.877 15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.865 -9.314 16.921 1.00 0.00 H new ATOM 1650 N GLN A 105 2.121 -9.288 14.245 1.00 0.00 N ATOM 1651 CA GLN A 105 1.884 -9.961 12.977 1.00 0.00 C ATOM 1652 C GLN A 105 2.453 -9.136 11.830 1.00 0.00 C ATOM 1653 O GLN A 105 2.634 -7.923 11.957 1.00 0.00 O ATOM 1654 CB GLN A 105 0.393 -10.219 12.747 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.175 -11.354 13.585 1.00 0.00 C ATOM 1656 CD GLN A 105 0.556 -12.668 13.364 1.00 0.00 C ATOM 1657 OE1 GLN A 105 1.502 -12.996 14.080 1.00 0.00 O ATOM 1658 NE2 GLN A 105 0.131 -13.422 12.361 1.00 0.00 N ATOM 0 H GLN A 105 1.340 -8.727 14.586 1.00 0.00 H new ATOM 0 HA GLN A 105 2.389 -10.926 13.014 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.161 -9.306 12.967 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.232 -10.444 11.693 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.119 -11.085 14.640 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.230 -11.485 13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.657 -13.115 11.790 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.592 -14.310 12.159 1.00 0.00 H new ATOM 1667 N LEU A 106 2.768 -9.803 10.729 1.00 0.00 N ATOM 1668 CA LEU A 106 3.268 -9.128 9.541 1.00 0.00 C ATOM 1669 C LEU A 106 2.805 -9.850 8.283 1.00 0.00 C ATOM 1670 O LEU A 106 3.172 -11.001 8.042 1.00 0.00 O ATOM 1671 CB LEU A 106 4.800 -9.047 9.580 1.00 0.00 C ATOM 1672 CG LEU A 106 5.477 -8.516 8.311 1.00 0.00 C ATOM 1673 CD1 LEU A 106 4.936 -7.146 7.930 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.980 -8.446 8.512 1.00 0.00 C ATOM 0 H LEU A 106 2.686 -10.815 10.634 1.00 0.00 H new ATOM 0 HA LEU A 106 2.867 -8.115 9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.089 -8.410 10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.192 -10.043 9.787 1.00 0.00 H new ATOM 0 HG LEU A 106 5.255 -9.205 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.435 -6.796 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.864 -7.216 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.121 -6.443 8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.451 -8.068 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.205 -7.778 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.364 -9.442 8.732 1.00 0.00 H new ATOM 1686 N GLN A 107 2.002 -9.164 7.488 1.00 0.00 N ATOM 1687 CA GLN A 107 1.504 -9.716 6.243 1.00 0.00 C ATOM 1688 C GLN A 107 2.128 -8.969 5.073 1.00 0.00 C ATOM 1689 O GLN A 107 1.915 -7.767 4.903 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.026 -9.623 6.200 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.650 -10.264 4.970 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.158 -10.392 5.086 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -2.905 -9.489 4.710 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.617 -11.521 5.601 1.00 0.00 N ATOM 0 H GLN A 107 1.680 -8.217 7.686 1.00 0.00 H new ATOM 0 HA GLN A 107 1.780 -10.768 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.434 -10.099 7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.317 -8.573 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.405 -9.669 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.215 -11.252 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.966 -12.246 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.622 -11.666 5.698 1.00 0.00 H new ATOM 1703 N GLN A 108 2.934 -9.674 4.296 1.00 0.00 N ATOM 1704 CA GLN A 108 3.623 -9.073 3.167 1.00 0.00 C ATOM 1705 C GLN A 108 2.822 -9.229 1.891 1.00 0.00 C ATOM 1706 O GLN A 108 2.402 -10.333 1.537 1.00 0.00 O ATOM 1707 CB GLN A 108 4.998 -9.703 2.970 1.00 0.00 C ATOM 1708 CG GLN A 108 5.914 -9.545 4.164 1.00 0.00 C ATOM 1709 CD GLN A 108 5.934 -10.765 5.059 1.00 0.00 C ATOM 1710 OE1 GLN A 108 4.943 -11.486 5.182 1.00 0.00 O ATOM 1711 NE2 GLN A 108 7.074 -11.016 5.677 1.00 0.00 N ATOM 0 H GLN A 108 3.127 -10.667 4.428 1.00 0.00 H new ATOM 0 HA GLN A 108 3.739 -8.012 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.875 -10.765 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.472 -9.254 2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.926 -9.341 3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.597 -8.679 4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.872 -10.393 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.157 -11.832 6.283 1.00 0.00 H new ATOM 1720 N LEU A 109 2.618 -8.123 1.202 1.00 0.00 N ATOM 1721 CA LEU A 109 1.934 -8.143 -0.072 1.00 0.00 C ATOM 1722 C LEU A 109 2.860 -7.590 -1.146 1.00 0.00 C ATOM 1723 O LEU A 109 3.154 -6.395 -1.174 1.00 0.00 O ATOM 1724 CB LEU A 109 0.640 -7.321 -0.006 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.299 -7.656 1.160 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.590 -6.861 1.058 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.591 -9.147 1.213 1.00 0.00 C ATOM 0 H LEU A 109 2.918 -7.197 1.506 1.00 0.00 H new ATOM 0 HA LEU A 109 1.666 -9.171 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.904 -6.265 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.095 -7.459 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 109 0.203 -7.376 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.241 -7.115 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.364 -5.795 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.093 -7.102 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.259 -9.358 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.065 -9.458 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.341 -9.696 1.347 1.00 0.00 H new ATOM 1739 N THR A 110 3.329 -8.463 -2.017 1.00 0.00 N ATOM 1740 CA THR A 110 4.240 -8.070 -3.072 1.00 0.00 C ATOM 1741 C THR A 110 3.473 -7.888 -4.379 1.00 0.00 C ATOM 1742 O THR A 110 2.931 -8.849 -4.930 1.00 0.00 O ATOM 1743 CB THR A 110 5.352 -9.126 -3.264 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.922 -9.480 -1.994 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.450 -8.605 -4.181 1.00 0.00 C ATOM 0 H THR A 110 3.092 -9.455 -2.013 1.00 0.00 H new ATOM 0 HA THR A 110 4.705 -7.126 -2.787 1.00 0.00 H new ATOM 0 HB THR A 110 4.902 -10.006 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.880 -8.709 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.219 -9.369 -4.298 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.026 -8.364 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.892 -7.709 -3.746 1.00 0.00 H new ATOM 1753 N PHE A 111 3.414 -6.655 -4.860 1.00 0.00 N ATOM 1754 CA PHE A 111 2.704 -6.352 -6.091 1.00 0.00 C ATOM 1755 C PHE A 111 3.689 -5.995 -7.191 1.00 0.00 C ATOM 1756 O PHE A 111 4.495 -5.077 -7.036 1.00 0.00 O ATOM 1757 CB PHE A 111 1.732 -5.184 -5.891 1.00 0.00 C ATOM 1758 CG PHE A 111 0.677 -5.426 -4.848 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.449 -6.182 -5.143 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.807 -4.892 -3.574 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.424 -6.398 -4.186 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.164 -5.106 -2.615 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.280 -5.860 -2.922 1.00 0.00 C ATOM 0 H PHE A 111 3.850 -5.848 -4.415 1.00 0.00 H new ATOM 0 HA PHE A 111 2.138 -7.239 -6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.301 -4.296 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.244 -4.967 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.565 -6.606 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.678 -4.302 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.297 -6.987 -4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.051 -4.685 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.040 -6.029 -2.174 1.00 0.00 H new ATOM 1773 N SER A 112 3.639 -6.725 -8.290 1.00 0.00 N ATOM 1774 CA SER A 112 4.423 -6.371 -9.451 1.00 0.00 C ATOM 1775 C SER A 112 3.567 -5.550 -10.408 1.00 0.00 C ATOM 1776 O SER A 112 2.655 -6.069 -11.050 1.00 0.00 O ATOM 1777 CB SER A 112 4.972 -7.631 -10.126 1.00 0.00 C ATOM 1778 OG SER A 112 4.054 -8.710 -10.027 1.00 0.00 O ATOM 0 H SER A 112 3.066 -7.562 -8.400 1.00 0.00 H new ATOM 0 HA SER A 112 5.277 -5.765 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.180 -7.423 -11.175 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.918 -7.912 -9.663 1.00 0.00 H new ATOM 0 HG SER A 112 4.430 -9.501 -10.468 1.00 0.00 H new ATOM 1784 N PHE A 113 3.856 -4.262 -10.476 1.00 0.00 N ATOM 1785 CA PHE A 113 3.084 -3.348 -11.297 1.00 0.00 C ATOM 1786 C PHE A 113 3.674 -3.245 -12.691 1.00 0.00 C ATOM 1787 O PHE A 113 4.807 -3.665 -12.929 1.00 0.00 O ATOM 1788 CB PHE A 113 3.021 -1.960 -10.656 1.00 0.00 C ATOM 1789 CG PHE A 113 1.979 -1.825 -9.580 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.790 -2.528 -9.662 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.180 -0.983 -8.502 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.181 -2.395 -8.690 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.212 -0.840 -7.528 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.028 -1.549 -7.623 1.00 0.00 C ATOM 0 H PHE A 113 4.625 -3.824 -9.969 1.00 0.00 H new ATOM 0 HA PHE A 113 2.072 -3.745 -11.373 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.997 -1.723 -10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.823 -1.222 -11.433 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.619 -3.190 -10.498 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.105 -0.431 -8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.103 -2.953 -8.766 1.00 0.00 H new ATOM 0 HE2 PHE A 113 1.379 -0.176 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.731 -1.440 -6.862 1.00 0.00 H new ATOM 1804 N ASN A 114 2.897 -2.687 -13.606 1.00 0.00 N ATOM 1805 CA ASN A 114 3.320 -2.537 -14.995 1.00 0.00 C ATOM 1806 C ASN A 114 2.384 -1.578 -15.724 1.00 0.00 C ATOM 1807 O ASN A 114 2.824 -0.630 -16.371 1.00 0.00 O ATOM 1808 CB ASN A 114 3.367 -3.904 -15.718 1.00 0.00 C ATOM 1809 CG ASN A 114 2.023 -4.634 -15.787 1.00 0.00 C ATOM 1810 OD1 ASN A 114 1.720 -5.297 -16.782 1.00 0.00 O ATOM 1811 ND2 ASN A 114 1.224 -4.554 -14.730 1.00 0.00 N ATOM 0 H ASN A 114 1.962 -2.327 -13.412 1.00 0.00 H new ATOM 0 HA ASN A 114 4.329 -2.124 -15.002 1.00 0.00 H new ATOM 0 HB2 ASN A 114 3.735 -3.751 -16.732 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.088 -4.544 -15.210 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.332 -5.049 -14.726 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.502 -3.998 -13.922 1.00 0.00 H new ATOM 1818 N ASN A 115 1.093 -1.829 -15.588 1.00 0.00 N ATOM 1819 CA ASN A 115 0.059 -1.016 -16.202 1.00 0.00 C ATOM 1820 C ASN A 115 -1.161 -1.048 -15.302 1.00 0.00 C ATOM 1821 O ASN A 115 -2.144 -1.712 -15.595 1.00 0.00 O ATOM 1822 CB ASN A 115 -0.314 -1.525 -17.609 1.00 0.00 C ATOM 1823 CG ASN A 115 0.793 -1.333 -18.634 1.00 0.00 C ATOM 1824 OD1 ASN A 115 0.866 -0.299 -19.300 1.00 0.00 O ATOM 1825 ND2 ASN A 115 1.647 -2.337 -18.788 1.00 0.00 N ATOM 0 H ASN A 115 0.730 -2.611 -15.043 1.00 0.00 H new ATOM 0 HA ASN A 115 0.432 0.002 -16.318 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.564 -2.584 -17.550 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.209 -1.005 -17.950 1.00 0.00 H new ATOM 0 HD21 ASN A 115 2.396 -2.268 -19.477 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.554 -3.178 -18.218 1.00 0.00 H new ATOM 1832 N ASP A 116 -1.067 -0.359 -14.180 1.00 0.00 N ATOM 1833 CA ASP A 116 -2.087 -0.437 -13.151 1.00 0.00 C ATOM 1834 C ASP A 116 -2.522 0.958 -12.683 1.00 0.00 C ATOM 1835 O ASP A 116 -2.037 1.460 -11.672 1.00 0.00 O ATOM 1836 CB ASP A 116 -1.557 -1.242 -11.959 1.00 0.00 C ATOM 1837 CG ASP A 116 -0.928 -2.570 -12.365 1.00 0.00 C ATOM 1838 OD1 ASP A 116 0.220 -2.564 -12.878 1.00 0.00 O ATOM 1839 OD2 ASP A 116 -1.566 -3.621 -12.159 1.00 0.00 O ATOM 0 H ASP A 116 -0.291 0.264 -13.957 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.958 -0.935 -13.576 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.818 -0.645 -11.425 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.375 -1.432 -11.264 1.00 0.00 H new ATOM 1844 N SER A 117 -3.411 1.596 -13.440 1.00 0.00 N ATOM 1845 CA SER A 117 -3.983 2.887 -13.056 1.00 0.00 C ATOM 1846 C SER A 117 -5.471 2.734 -12.775 1.00 0.00 C ATOM 1847 O SER A 117 -6.226 2.281 -13.637 1.00 0.00 O ATOM 1848 CB SER A 117 -3.778 3.920 -14.166 1.00 0.00 C ATOM 1849 OG SER A 117 -4.349 5.172 -13.830 1.00 0.00 O ATOM 0 H SER A 117 -3.754 1.237 -14.331 1.00 0.00 H new ATOM 0 HA SER A 117 -3.475 3.232 -12.155 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.712 4.045 -14.354 1.00 0.00 H new ATOM 0 HB3 SER A 117 -4.224 3.553 -15.091 1.00 0.00 H new ATOM 0 HG SER A 117 -4.776 5.560 -14.622 1.00 0.00 H new ATOM 1855 N SER A 118 -5.885 3.106 -11.577 1.00 0.00 N ATOM 1856 CA SER A 118 -7.267 2.942 -11.161 1.00 0.00 C ATOM 1857 C SER A 118 -8.192 3.901 -11.903 1.00 0.00 C ATOM 1858 O SER A 118 -8.239 5.091 -11.579 1.00 0.00 O ATOM 1859 CB SER A 118 -7.375 3.174 -9.660 1.00 0.00 C ATOM 1860 OG SER A 118 -6.775 4.408 -9.311 1.00 0.00 O ATOM 0 H SER A 118 -5.280 3.526 -10.871 1.00 0.00 H new ATOM 0 HA SER A 118 -7.578 1.926 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.423 3.173 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.888 2.360 -9.123 1.00 0.00 H new ATOM 0 HG SER A 118 -7.122 5.116 -9.893 1.00 0.00 H new ATOM 1866 N LYS A 119 -8.900 3.362 -12.901 1.00 0.00 N ATOM 1867 CA LYS A 119 -9.894 4.094 -13.699 1.00 0.00 C ATOM 1868 C LYS A 119 -9.345 5.413 -14.262 1.00 0.00 C ATOM 1869 O LYS A 119 -8.140 5.682 -14.224 1.00 0.00 O ATOM 1870 CB LYS A 119 -11.183 4.338 -12.881 1.00 0.00 C ATOM 1871 CG LYS A 119 -11.085 5.449 -11.841 1.00 0.00 C ATOM 1872 CD LYS A 119 -12.284 5.458 -10.903 1.00 0.00 C ATOM 1873 CE LYS A 119 -12.241 6.640 -9.946 1.00 0.00 C ATOM 1874 NZ LYS A 119 -10.997 6.664 -9.128 1.00 0.00 N ATOM 0 H LYS A 119 -8.798 2.387 -13.183 1.00 0.00 H new ATOM 0 HA LYS A 119 -10.137 3.464 -14.555 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -11.993 4.576 -13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.456 3.411 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.171 5.323 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -11.012 6.413 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.203 5.496 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.307 4.529 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.317 7.567 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.107 6.600 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.023 7.477 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.927 5.785 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.171 6.746 -9.755 1.00 0.00 H new ATOM 1888 N GLU A 120 -10.235 6.200 -14.846 1.00 0.00 N ATOM 1889 CA GLU A 120 -9.908 7.539 -15.299 1.00 0.00 C ATOM 1890 C GLU A 120 -11.167 8.400 -15.278 1.00 0.00 C ATOM 1891 O GLU A 120 -12.264 7.898 -15.017 1.00 0.00 O ATOM 1892 CB GLU A 120 -9.295 7.523 -16.709 1.00 0.00 C ATOM 1893 CG GLU A 120 -10.251 7.102 -17.817 1.00 0.00 C ATOM 1894 CD GLU A 120 -10.500 5.609 -17.872 1.00 0.00 C ATOM 1895 OE1 GLU A 120 -11.390 5.116 -17.148 1.00 0.00 O ATOM 1896 OE2 GLU A 120 -9.819 4.923 -18.662 1.00 0.00 O ATOM 0 H GLU A 120 -11.203 5.927 -15.018 1.00 0.00 H new ATOM 0 HA GLU A 120 -9.163 7.960 -14.624 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.915 8.519 -16.936 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.440 6.847 -16.710 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -11.203 7.615 -17.678 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.849 7.430 -18.776 1.00 0.00 H new ATOM 1903 N GLU A 121 -11.014 9.685 -15.544 1.00 0.00 N ATOM 1904 CA GLU A 121 -12.140 10.600 -15.543 1.00 0.00 C ATOM 1905 C GLU A 121 -12.067 11.495 -16.774 1.00 0.00 C ATOM 1906 O GLU A 121 -11.040 12.120 -17.027 1.00 0.00 O ATOM 1907 CB GLU A 121 -12.128 11.425 -14.253 1.00 0.00 C ATOM 1908 CG GLU A 121 -13.428 12.156 -13.967 1.00 0.00 C ATOM 1909 CD GLU A 121 -13.491 12.681 -12.547 1.00 0.00 C ATOM 1910 OE1 GLU A 121 -13.898 11.916 -11.644 1.00 0.00 O ATOM 1911 OE2 GLU A 121 -13.134 13.852 -12.324 1.00 0.00 O ATOM 0 H GLU A 121 -10.118 10.119 -15.764 1.00 0.00 H new ATOM 0 HA GLU A 121 -13.076 10.043 -15.581 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -11.904 10.765 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.320 12.154 -14.309 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.536 12.987 -14.664 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -14.267 11.482 -14.141 1.00 0.00 H new ATOM 1918 N GLU A 122 -13.151 11.535 -17.546 1.00 0.00 N ATOM 1919 CA GLU A 122 -13.165 12.267 -18.816 1.00 0.00 C ATOM 1920 C GLU A 122 -12.917 13.757 -18.603 1.00 0.00 C ATOM 1921 O GLU A 122 -12.307 14.421 -19.443 1.00 0.00 O ATOM 1922 CB GLU A 122 -14.497 12.066 -19.548 1.00 0.00 C ATOM 1923 CG GLU A 122 -15.710 12.577 -18.783 1.00 0.00 C ATOM 1924 CD GLU A 122 -16.938 12.702 -19.657 1.00 0.00 C ATOM 1925 OE1 GLU A 122 -17.139 13.783 -20.252 1.00 0.00 O ATOM 1926 OE2 GLU A 122 -17.709 11.724 -19.754 1.00 0.00 O ATOM 0 H GLU A 122 -14.030 11.071 -17.317 1.00 0.00 H new ATOM 0 HA GLU A 122 -12.358 11.866 -19.428 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -14.449 12.572 -20.512 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -14.631 11.004 -19.752 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -15.925 11.901 -17.956 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -15.478 13.549 -18.348 1.00 0.00 H new ATOM 1933 N LEU A 123 -13.392 14.277 -17.485 1.00 0.00 N ATOM 1934 CA LEU A 123 -13.210 15.678 -17.173 1.00 0.00 C ATOM 1935 C LEU A 123 -12.046 15.826 -16.207 1.00 0.00 C ATOM 1936 O LEU A 123 -12.218 15.726 -14.992 1.00 0.00 O ATOM 1937 CB LEU A 123 -14.501 16.262 -16.576 1.00 0.00 C ATOM 1938 CG LEU A 123 -14.637 17.796 -16.606 1.00 0.00 C ATOM 1939 CD1 LEU A 123 -13.711 18.464 -15.600 1.00 0.00 C ATOM 1940 CD2 LEU A 123 -14.363 18.324 -18.005 1.00 0.00 C ATOM 0 H LEU A 123 -13.906 13.748 -16.780 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.985 16.232 -18.084 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -15.349 15.833 -17.110 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -14.578 15.932 -15.540 1.00 0.00 H new ATOM 0 HG LEU A 123 -15.662 18.041 -16.326 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.837 19.545 -15.652 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.955 18.118 -14.595 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -12.677 18.207 -15.831 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -14.463 19.409 -18.010 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.351 18.051 -18.305 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -15.078 17.890 -18.704 1.00 0.00 H new ATOM 1952 N GLU A 124 -10.856 16.008 -16.749 1.00 0.00 N ATOM 1953 CA GLU A 124 -9.695 16.261 -15.922 1.00 0.00 C ATOM 1954 C GLU A 124 -9.587 17.749 -15.650 1.00 0.00 C ATOM 1955 O GLU A 124 -9.868 18.197 -14.538 1.00 0.00 O ATOM 1956 CB GLU A 124 -8.419 15.742 -16.587 1.00 0.00 C ATOM 1957 CG GLU A 124 -8.420 14.239 -16.812 1.00 0.00 C ATOM 1958 CD GLU A 124 -7.100 13.735 -17.354 1.00 0.00 C ATOM 1959 OE1 GLU A 124 -6.920 13.736 -18.591 1.00 0.00 O ATOM 1960 OE2 GLU A 124 -6.230 13.342 -16.545 1.00 0.00 O ATOM 0 H GLU A 124 -10.670 15.985 -17.752 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.813 15.728 -14.979 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.288 16.245 -17.545 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -7.562 16.008 -15.968 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -8.640 13.734 -15.871 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.218 13.979 -17.508 1.00 0.00 H new ATOM 1967 N HIS A 125 -9.225 18.499 -16.692 1.00 0.00 N ATOM 1968 CA HIS A 125 -9.072 19.953 -16.621 1.00 0.00 C ATOM 1969 C HIS A 125 -8.192 20.347 -15.434 1.00 0.00 C ATOM 1970 O HIS A 125 -6.966 20.381 -15.544 1.00 0.00 O ATOM 1971 CB HIS A 125 -10.447 20.634 -16.539 1.00 0.00 C ATOM 1972 CG HIS A 125 -10.416 22.121 -16.736 1.00 0.00 C ATOM 1973 ND1 HIS A 125 -10.884 23.010 -15.797 1.00 0.00 N ATOM 1974 CD2 HIS A 125 -9.999 22.870 -17.783 1.00 0.00 C ATOM 1975 CE1 HIS A 125 -10.757 24.240 -16.255 1.00 0.00 C ATOM 1976 NE2 HIS A 125 -10.224 24.188 -17.461 1.00 0.00 N ATOM 0 H HIS A 125 -9.028 18.112 -17.615 1.00 0.00 H new ATOM 0 HA HIS A 125 -8.578 20.294 -17.531 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -11.102 20.194 -17.291 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -10.888 20.418 -15.566 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -9.569 22.501 -18.702 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -11.042 25.140 -15.730 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -10.014 24.990 -18.055 1.00 0.00 H new ATOM 1985 N HIS A 126 -8.824 20.606 -14.297 1.00 0.00 N ATOM 1986 CA HIS A 126 -8.107 20.915 -13.075 1.00 0.00 C ATOM 1987 C HIS A 126 -9.033 20.787 -11.874 1.00 0.00 C ATOM 1988 O HIS A 126 -9.851 21.667 -11.614 1.00 0.00 O ATOM 1989 CB HIS A 126 -7.506 22.322 -13.131 1.00 0.00 C ATOM 1990 CG HIS A 126 -6.579 22.615 -11.991 1.00 0.00 C ATOM 1991 ND1 HIS A 126 -5.302 22.102 -11.917 1.00 0.00 N ATOM 1992 CD2 HIS A 126 -6.746 23.359 -10.874 1.00 0.00 C ATOM 1993 CE1 HIS A 126 -4.727 22.516 -10.805 1.00 0.00 C ATOM 1994 NE2 HIS A 126 -5.581 23.277 -10.156 1.00 0.00 N ATOM 0 H HIS A 126 -9.839 20.607 -14.199 1.00 0.00 H new ATOM 0 HA HIS A 126 -7.291 20.200 -12.971 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -6.966 22.442 -14.070 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -8.313 23.055 -13.132 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.631 23.914 -10.599 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -3.726 22.272 -10.482 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -5.405 23.733 -9.261 1.00 0.00 H new ATOM 2003 N HIS A 127 -8.913 19.684 -11.155 1.00 0.00 N ATOM 2004 CA HIS A 127 -9.703 19.481 -9.950 1.00 0.00 C ATOM 2005 C HIS A 127 -8.862 18.787 -8.888 1.00 0.00 C ATOM 2006 O HIS A 127 -8.235 17.759 -9.146 1.00 0.00 O ATOM 2007 CB HIS A 127 -10.996 18.696 -10.249 1.00 0.00 C ATOM 2008 CG HIS A 127 -10.797 17.263 -10.653 1.00 0.00 C ATOM 2009 ND1 HIS A 127 -11.141 16.204 -9.843 1.00 0.00 N ATOM 2010 CD2 HIS A 127 -10.313 16.715 -11.792 1.00 0.00 C ATOM 2011 CE1 HIS A 127 -10.874 15.071 -10.463 1.00 0.00 C ATOM 2012 NE2 HIS A 127 -10.371 15.349 -11.651 1.00 0.00 N ATOM 0 H HIS A 127 -8.279 18.918 -11.382 1.00 0.00 H new ATOM 0 HA HIS A 127 -10.006 20.455 -9.567 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.631 18.722 -9.363 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -11.537 19.209 -11.044 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -9.948 17.253 -12.654 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.039 14.081 -10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.075 14.665 -12.347 1.00 0.00 H new ATOM 2021 N HIS A 128 -8.838 19.370 -7.703 1.00 0.00 N ATOM 2022 CA HIS A 128 -7.981 18.882 -6.633 1.00 0.00 C ATOM 2023 C HIS A 128 -8.615 17.692 -5.919 1.00 0.00 C ATOM 2024 O HIS A 128 -9.753 17.763 -5.453 1.00 0.00 O ATOM 2025 CB HIS A 128 -7.654 20.008 -5.633 1.00 0.00 C ATOM 2026 CG HIS A 128 -8.833 20.546 -4.862 1.00 0.00 C ATOM 2027 ND1 HIS A 128 -9.790 21.368 -5.415 1.00 0.00 N ATOM 2028 CD2 HIS A 128 -9.190 20.388 -3.562 1.00 0.00 C ATOM 2029 CE1 HIS A 128 -10.679 21.689 -4.496 1.00 0.00 C ATOM 2030 NE2 HIS A 128 -10.343 21.109 -3.360 1.00 0.00 N ATOM 0 H HIS A 128 -9.402 20.183 -7.455 1.00 0.00 H new ATOM 0 HA HIS A 128 -7.047 18.545 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -6.915 19.638 -4.923 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -7.190 20.831 -6.176 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -8.664 19.803 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -11.540 22.322 -4.648 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -10.853 21.183 -2.480 1.00 0.00 H new ATOM 2039 N HIS A 129 -7.876 16.594 -5.861 1.00 0.00 N ATOM 2040 CA HIS A 129 -8.310 15.409 -5.135 1.00 0.00 C ATOM 2041 C HIS A 129 -7.287 15.067 -4.063 1.00 0.00 C ATOM 2042 O HIS A 129 -6.091 14.981 -4.346 1.00 0.00 O ATOM 2043 CB HIS A 129 -8.497 14.219 -6.088 1.00 0.00 C ATOM 2044 CG HIS A 129 -8.944 12.961 -5.403 1.00 0.00 C ATOM 2045 ND1 HIS A 129 -10.266 12.676 -5.151 1.00 0.00 N ATOM 2046 CD2 HIS A 129 -8.238 11.913 -4.913 1.00 0.00 C ATOM 2047 CE1 HIS A 129 -10.358 11.512 -4.535 1.00 0.00 C ATOM 2048 NE2 HIS A 129 -9.143 11.029 -4.379 1.00 0.00 N ATOM 0 H HIS A 129 -6.966 16.499 -6.312 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.271 15.619 -4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -9.229 14.487 -6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.556 14.027 -6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.165 11.795 -4.938 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -11.273 11.037 -4.214 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -8.911 10.141 -3.933 1.00 0.00 H new ATOM 2057 N HIS A 130 -7.761 14.878 -2.845 1.00 0.00 N ATOM 2058 CA HIS A 130 -6.890 14.543 -1.733 1.00 0.00 C ATOM 2059 C HIS A 130 -6.933 13.044 -1.475 1.00 0.00 C ATOM 2060 O HIS A 130 -6.014 12.340 -1.939 1.00 0.00 O ATOM 2061 CB HIS A 130 -7.303 15.316 -0.477 1.00 0.00 C ATOM 2062 CG HIS A 130 -6.318 15.216 0.647 1.00 0.00 C ATOM 2063 ND1 HIS A 130 -5.262 16.089 0.790 1.00 0.00 N ATOM 2064 CD2 HIS A 130 -6.238 14.358 1.693 1.00 0.00 C ATOM 2065 CE1 HIS A 130 -4.576 15.774 1.871 1.00 0.00 C ATOM 2066 NE2 HIS A 130 -5.147 14.729 2.438 1.00 0.00 N ATOM 2067 OXT HIS A 130 -7.901 12.584 -0.840 1.00 0.00 O ATOM 0 H HIS A 130 -8.748 14.951 -2.600 1.00 0.00 H new ATOM 0 HA HIS A 130 -5.869 14.827 -1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -7.438 16.366 -0.736 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -8.269 14.945 -0.135 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -6.907 13.536 1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -3.695 16.285 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -4.829 14.271 3.292 1.00 0.00 H new TER 2076 HIS A 130