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 112 SER OG : rot 140:sc= 0.275 USER MOD Set 1.2: A 115 ASN : amide:sc= -1.69 K(o=-1.4,f=-0.085) USER MOD Set 2.1: A 108 GLN : amide:sc= 0.686 K(o=2.9,f=0.84) USER MOD Set 2.2: A 110 THR OG1 : rot -87:sc= 2.22 USER MOD Set 3.1: A 53 GLN : amide:sc= 0.853 K(o=-1.1,f=-4.5!) USER MOD Set 3.2: A 85 TYR OH : rot -128:sc= 0.262 USER MOD Set 3.3: A 87 SER OG : rot 180:sc= 0.257 USER MOD Set 3.4: A 93 GLN : amide:sc= -2.47! K(o=-1.1!,f=-4.5) USER MOD Set 4.1: A 35 GLN : amide:sc= -1.13 K(o=-0.67,f=-6.5!) USER MOD Set 4.2: A 80 THR OG1 : rot 104:sc= 0.469 USER MOD Set 5.1: A 29 THR OG1 : rot -91:sc= 0.729 USER MOD Set 5.2: A 86 THR OG1 : rot 180:sc= 0.662 USER MOD Set 6.1: A 14 SER OG : rot 75:sc= 1.31 USER MOD Set 6.2: A 37 HIS : no HD1:sc= 1 K(o=2.3,f=-7.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.121) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0.629 K(o=0.63,f=-0.08) USER MOD Single : A 10 SER OG : rot 180:sc= 0.136 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 146:sc= 0.0865 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 1.09 (180deg=0.963) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.188) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc=-0.000786 (180deg=-0.181) USER MOD Single : A 34 CYS SG : rot 51:sc= -0.93 USER MOD Single : A 45 THR OG1 : rot 54:sc= 0.563 USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 0.641 (180deg=0.0318) USER MOD Single : A 47 TYR OH : rot 3:sc= 0.561 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -142:sc= -0.37 (180deg=-2.08) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00555 USER MOD Single : A 71 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.2!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -126:sc= 1.12 USER MOD Single : A 89 SER OG : rot 87:sc= 0.365 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0099 USER MOD Single : A 92 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.8) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.15! X(o=-1.2!,f=-0.72) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.619 K(o=-0.62,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.26) USER MOD Single : A 114 ASN : amide:sc= 0.732 K(o=0.73,f=-4.6!) USER MOD Single : A 117 SER OG : rot 180:sc= 0.185 USER MOD Single : A 118 SER OG : rot 180:sc= 0.00459 USER MOD Single : A 119 LYS NZ :NH3+ -172:sc= 1.2 (180deg=0.809) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HE2:sc= 0.437 K(o=0.44,f=-6.8!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=-0.037) USER MOD Single : A 128 HIS : no HD1:sc= -0.532 K(o=-0.53,f=0.14) USER MOD Single : A 129 HIS : no HD1:sc=-0.00149 X(o=-0.0015,f=-0.0015) USER MOD Single : A 130 HIS : no HD1:sc= -0.07 X(o=-0.07,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.262 -9.622 35.335 1.00 0.00 N ATOM 2 CA MET A 1 10.194 -8.674 34.946 1.00 0.00 C ATOM 3 C MET A 1 9.447 -9.208 33.739 1.00 0.00 C ATOM 4 O MET A 1 10.054 -9.536 32.720 1.00 0.00 O ATOM 5 CB MET A 1 10.785 -7.298 34.618 1.00 0.00 C ATOM 6 CG MET A 1 11.457 -6.620 35.801 1.00 0.00 C ATOM 7 SD MET A 1 12.148 -5.008 35.378 1.00 0.00 S ATOM 8 CE MET A 1 12.855 -4.521 36.951 1.00 0.00 C ATOM 0 H1 MET A 1 11.646 -9.351 36.262 1.00 0.00 H new ATOM 0 H2 MET A 1 10.869 -10.583 35.391 1.00 0.00 H new ATOM 0 H3 MET A 1 12.022 -9.599 34.625 1.00 0.00 H new ATOM 0 HA MET A 1 9.505 -8.567 35.784 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.512 -7.408 33.813 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.991 -6.652 34.244 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.732 -6.500 36.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.251 -7.263 36.180 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.322 -3.541 36.852 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.069 -4.474 37.704 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.605 -5.251 37.254 1.00 0.00 H new ATOM 20 N ASN A 2 8.134 -9.302 33.849 1.00 0.00 N ATOM 21 CA ASN A 2 7.322 -9.838 32.770 1.00 0.00 C ATOM 22 C ASN A 2 6.325 -8.802 32.286 1.00 0.00 C ATOM 23 O ASN A 2 5.735 -8.074 33.085 1.00 0.00 O ATOM 24 CB ASN A 2 6.548 -11.081 33.224 1.00 0.00 C ATOM 25 CG ASN A 2 7.433 -12.219 33.690 1.00 0.00 C ATOM 26 OD1 ASN A 2 8.566 -12.383 33.237 1.00 0.00 O ATOM 27 ND2 ASN A 2 6.910 -13.020 34.601 1.00 0.00 N ATOM 0 H ASN A 2 7.607 -9.015 34.674 1.00 0.00 H new ATOM 0 HA ASN A 2 8.000 -10.109 31.961 1.00 0.00 H new ATOM 0 HB2 ASN A 2 5.875 -10.802 34.035 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.926 -11.431 32.400 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.449 -13.810 34.955 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.967 -12.848 34.950 1.00 0.00 H new ATOM 34 N ASP A 3 6.140 -8.732 30.978 1.00 0.00 N ATOM 35 CA ASP A 3 5.073 -7.921 30.410 1.00 0.00 C ATOM 36 C ASP A 3 3.756 -8.667 30.570 1.00 0.00 C ATOM 37 O ASP A 3 2.689 -8.059 30.674 1.00 0.00 O ATOM 38 CB ASP A 3 5.344 -7.613 28.931 1.00 0.00 C ATOM 39 CG ASP A 3 5.128 -8.808 28.021 1.00 0.00 C ATOM 40 OD1 ASP A 3 5.791 -9.848 28.227 1.00 0.00 O ATOM 41 OD2 ASP A 3 4.308 -8.704 27.086 1.00 0.00 O ATOM 0 H ASP A 3 6.711 -9.224 30.291 1.00 0.00 H new ATOM 0 HA ASP A 3 5.023 -6.968 30.937 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.693 -6.799 28.611 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.370 -7.262 28.822 1.00 0.00 H new ATOM 46 N ASP A 4 3.868 -9.995 30.617 1.00 0.00 N ATOM 47 CA ASP A 4 2.738 -10.893 30.847 1.00 0.00 C ATOM 48 C ASP A 4 1.785 -10.894 29.655 1.00 0.00 C ATOM 49 O ASP A 4 2.011 -11.627 28.688 1.00 0.00 O ATOM 50 CB ASP A 4 2.000 -10.531 32.149 1.00 0.00 C ATOM 51 CG ASP A 4 0.830 -11.449 32.449 1.00 0.00 C ATOM 52 OD1 ASP A 4 1.062 -12.624 32.799 1.00 0.00 O ATOM 53 OD2 ASP A 4 -0.329 -10.989 32.349 1.00 0.00 O ATOM 0 H ASP A 4 4.756 -10.482 30.495 1.00 0.00 H new ATOM 0 HA ASP A 4 3.132 -11.903 30.958 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.704 -10.567 32.980 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.640 -9.504 32.081 1.00 0.00 H new ATOM 58 N VAL A 5 0.757 -10.045 29.721 1.00 0.00 N ATOM 59 CA VAL A 5 -0.280 -9.951 28.690 1.00 0.00 C ATOM 60 C VAL A 5 -0.681 -11.333 28.170 1.00 0.00 C ATOM 61 O VAL A 5 -0.355 -11.711 27.042 1.00 0.00 O ATOM 62 CB VAL A 5 0.164 -9.056 27.507 1.00 0.00 C ATOM 63 CG1 VAL A 5 -0.992 -8.812 26.545 1.00 0.00 C ATOM 64 CG2 VAL A 5 0.727 -7.735 28.009 1.00 0.00 C ATOM 0 H VAL A 5 0.619 -9.398 30.498 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.147 -9.490 29.164 1.00 0.00 H new ATOM 0 HB VAL A 5 0.952 -9.582 26.967 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.654 -8.181 25.723 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.344 -9.765 26.150 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.806 -8.315 27.073 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.032 -7.123 27.160 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.037 -7.208 28.580 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.590 -7.926 28.647 1.00 0.00 H new ATOM 74 N ASP A 6 -1.359 -12.106 29.003 1.00 0.00 N ATOM 75 CA ASP A 6 -1.760 -13.446 28.611 1.00 0.00 C ATOM 76 C ASP A 6 -3.208 -13.458 28.160 1.00 0.00 C ATOM 77 O ASP A 6 -4.127 -13.281 28.962 1.00 0.00 O ATOM 78 CB ASP A 6 -1.554 -14.449 29.750 1.00 0.00 C ATOM 79 CG ASP A 6 -1.902 -15.865 29.328 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.125 -16.465 28.556 1.00 0.00 O ATOM 81 OD2 ASP A 6 -2.952 -16.384 29.765 1.00 0.00 O ATOM 0 H ASP A 6 -1.640 -11.832 29.944 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.126 -13.748 27.777 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.516 -14.414 30.081 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.171 -14.162 30.602 1.00 0.00 H new ATOM 86 N ILE A 7 -3.403 -13.636 26.868 1.00 0.00 N ATOM 87 CA ILE A 7 -4.739 -13.731 26.307 1.00 0.00 C ATOM 88 C ILE A 7 -4.873 -15.017 25.498 1.00 0.00 C ATOM 89 O ILE A 7 -5.946 -15.616 25.457 1.00 0.00 O ATOM 90 CB ILE A 7 -5.089 -12.501 25.430 1.00 0.00 C ATOM 91 CG1 ILE A 7 -6.526 -12.606 24.901 1.00 0.00 C ATOM 92 CG2 ILE A 7 -4.102 -12.355 24.278 1.00 0.00 C ATOM 93 CD1 ILE A 7 -6.982 -11.389 24.123 1.00 0.00 C ATOM 0 H ILE A 7 -2.651 -13.718 26.184 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.447 -13.749 27.136 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.016 -11.609 26.053 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.604 -13.485 24.261 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.202 -12.762 25.742 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.369 -11.485 23.678 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.095 -12.226 24.676 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.135 -13.249 23.655 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.007 -11.538 23.782 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.938 -10.509 24.765 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.331 -11.243 23.261 1.00 0.00 H new ATOM 105 N GLN A 8 -3.763 -15.437 24.881 1.00 0.00 N ATOM 106 CA GLN A 8 -3.693 -16.668 24.089 1.00 0.00 C ATOM 107 C GLN A 8 -4.523 -16.587 22.807 1.00 0.00 C ATOM 108 O GLN A 8 -3.984 -16.726 21.712 1.00 0.00 O ATOM 109 CB GLN A 8 -4.103 -17.879 24.931 1.00 0.00 C ATOM 110 CG GLN A 8 -3.052 -18.277 25.955 1.00 0.00 C ATOM 111 CD GLN A 8 -3.544 -19.325 26.930 1.00 0.00 C ATOM 112 OE1 GLN A 8 -3.459 -20.526 26.666 1.00 0.00 O ATOM 113 NE2 GLN A 8 -4.041 -18.880 28.072 1.00 0.00 N ATOM 0 H GLN A 8 -2.881 -14.927 24.918 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.654 -16.791 23.784 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.037 -17.656 25.446 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.297 -18.724 24.271 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.172 -18.656 25.436 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.739 -17.392 26.509 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.093 -17.877 28.249 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.373 -19.540 28.775 1.00 0.00 H new ATOM 122 N GLN A 9 -5.820 -16.354 22.936 1.00 0.00 N ATOM 123 CA GLN A 9 -6.699 -16.304 21.781 1.00 0.00 C ATOM 124 C GLN A 9 -6.997 -14.863 21.374 1.00 0.00 C ATOM 125 O GLN A 9 -7.878 -14.212 21.936 1.00 0.00 O ATOM 126 CB GLN A 9 -8.006 -17.053 22.065 1.00 0.00 C ATOM 127 CG GLN A 9 -8.929 -17.162 20.859 1.00 0.00 C ATOM 128 CD GLN A 9 -8.275 -17.873 19.690 1.00 0.00 C ATOM 129 OE1 GLN A 9 -8.351 -19.096 19.569 1.00 0.00 O ATOM 130 NE2 GLN A 9 -7.639 -17.115 18.810 1.00 0.00 N ATOM 0 H GLN A 9 -6.286 -16.197 23.830 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.186 -16.792 20.953 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.769 -18.056 22.421 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.536 -16.546 22.871 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.834 -17.697 21.145 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.235 -16.163 20.548 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.597 -16.105 18.943 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.191 -17.541 17.999 1.00 0.00 H new ATOM 139 N SER A 10 -6.246 -14.371 20.406 1.00 0.00 N ATOM 140 CA SER A 10 -6.508 -13.074 19.817 1.00 0.00 C ATOM 141 C SER A 10 -7.091 -13.291 18.424 1.00 0.00 C ATOM 142 O SER A 10 -7.414 -14.423 18.061 1.00 0.00 O ATOM 143 CB SER A 10 -5.221 -12.236 19.758 1.00 0.00 C ATOM 144 OG SER A 10 -5.491 -10.902 19.353 1.00 0.00 O ATOM 0 H SER A 10 -5.442 -14.857 20.009 1.00 0.00 H new ATOM 0 HA SER A 10 -7.222 -12.522 20.428 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.743 -12.231 20.737 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.518 -12.694 19.062 1.00 0.00 H new ATOM 0 HG SER A 10 -4.654 -10.393 19.326 1.00 0.00 H new ATOM 150 N TYR A 11 -7.237 -12.228 17.651 1.00 0.00 N ATOM 151 CA TYR A 11 -7.800 -12.343 16.315 1.00 0.00 C ATOM 152 C TYR A 11 -6.970 -11.569 15.302 1.00 0.00 C ATOM 153 O TYR A 11 -7.097 -10.350 15.182 1.00 0.00 O ATOM 154 CB TYR A 11 -9.256 -11.868 16.292 1.00 0.00 C ATOM 155 CG TYR A 11 -10.198 -12.793 17.029 1.00 0.00 C ATOM 156 CD1 TYR A 11 -10.655 -13.960 16.431 1.00 0.00 C ATOM 157 CD2 TYR A 11 -10.621 -12.508 18.322 1.00 0.00 C ATOM 158 CE1 TYR A 11 -11.506 -14.817 17.099 1.00 0.00 C ATOM 159 CE2 TYR A 11 -11.474 -13.361 18.996 1.00 0.00 C ATOM 160 CZ TYR A 11 -11.914 -14.515 18.381 1.00 0.00 C ATOM 161 OH TYR A 11 -12.757 -15.373 19.049 1.00 0.00 O ATOM 0 H TYR A 11 -6.975 -11.280 17.923 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.779 -13.397 16.036 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.314 -10.874 16.735 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.585 -11.775 15.257 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.339 -14.201 15.427 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.278 -11.606 18.807 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.851 -15.721 16.619 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.795 -13.125 20.000 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.948 -15.015 19.941 1.00 0.00 H new ATOM 171 N PRO A 12 -6.085 -12.277 14.583 1.00 0.00 N ATOM 172 CA PRO A 12 -5.272 -11.689 13.515 1.00 0.00 C ATOM 173 C PRO A 12 -6.143 -11.127 12.401 1.00 0.00 C ATOM 174 O PRO A 12 -7.128 -11.749 11.992 1.00 0.00 O ATOM 175 CB PRO A 12 -4.430 -12.864 13.001 1.00 0.00 C ATOM 176 CG PRO A 12 -4.463 -13.869 14.100 1.00 0.00 C ATOM 177 CD PRO A 12 -5.803 -13.709 14.757 1.00 0.00 C ATOM 0 HA PRO A 12 -4.667 -10.854 13.869 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.844 -13.273 12.079 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.409 -12.552 12.781 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.336 -14.879 13.711 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.655 -13.698 14.811 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.562 -14.331 14.283 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.773 -13.990 15.810 1.00 0.00 H new ATOM 185 N PHE A 13 -5.779 -9.955 11.912 1.00 0.00 N ATOM 186 CA PHE A 13 -6.589 -9.262 10.926 1.00 0.00 C ATOM 187 C PHE A 13 -6.175 -9.651 9.517 1.00 0.00 C ATOM 188 O PHE A 13 -4.987 -9.766 9.217 1.00 0.00 O ATOM 189 CB PHE A 13 -6.451 -7.750 11.111 1.00 0.00 C ATOM 190 CG PHE A 13 -6.573 -7.314 12.543 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.809 -7.253 13.163 1.00 0.00 C ATOM 192 CD2 PHE A 13 -5.445 -6.970 13.270 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.920 -6.858 14.480 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.550 -6.573 14.589 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.789 -6.518 15.195 1.00 0.00 C ATOM 0 H PHE A 13 -4.927 -9.463 12.182 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.630 -9.551 11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.484 -7.430 10.722 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.215 -7.247 10.519 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.697 -7.518 12.609 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.473 -7.013 12.801 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.891 -6.815 14.951 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.664 -6.306 15.145 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.873 -6.210 16.227 1.00 0.00 H new ATOM 205 N SER A 14 -7.158 -9.854 8.656 1.00 0.00 N ATOM 206 CA SER A 14 -6.895 -10.143 7.260 1.00 0.00 C ATOM 207 C SER A 14 -7.057 -8.878 6.434 1.00 0.00 C ATOM 208 O SER A 14 -8.035 -8.141 6.591 1.00 0.00 O ATOM 209 CB SER A 14 -7.836 -11.240 6.753 1.00 0.00 C ATOM 210 OG SER A 14 -9.191 -10.910 7.010 1.00 0.00 O ATOM 0 H SER A 14 -8.147 -9.823 8.902 1.00 0.00 H new ATOM 0 HA SER A 14 -5.870 -10.501 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.690 -11.382 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.591 -12.186 7.236 1.00 0.00 H new ATOM 0 HG SER A 14 -9.486 -10.222 6.377 1.00 0.00 H new ATOM 216 N ILE A 15 -6.091 -8.612 5.573 1.00 0.00 N ATOM 217 CA ILE A 15 -6.120 -7.419 4.749 1.00 0.00 C ATOM 218 C ILE A 15 -6.346 -7.788 3.291 1.00 0.00 C ATOM 219 O ILE A 15 -5.493 -8.398 2.648 1.00 0.00 O ATOM 220 CB ILE A 15 -4.820 -6.600 4.897 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.608 -6.236 6.369 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.877 -5.345 4.035 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.331 -5.471 6.635 1.00 0.00 C ATOM 0 H ILE A 15 -5.276 -9.208 5.427 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.948 -6.798 5.091 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.978 -7.203 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.454 -5.640 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.602 -7.151 6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.952 -4.781 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.000 -5.627 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.720 -4.728 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.254 -5.251 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.476 -6.072 6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.342 -4.538 6.071 1.00 0.00 H new ATOM 235 N GLU A 16 -7.515 -7.433 2.790 1.00 0.00 N ATOM 236 CA GLU A 16 -7.889 -7.721 1.421 1.00 0.00 C ATOM 237 C GLU A 16 -7.737 -6.469 0.573 1.00 0.00 C ATOM 238 O GLU A 16 -8.406 -5.465 0.808 1.00 0.00 O ATOM 239 CB GLU A 16 -9.335 -8.214 1.367 1.00 0.00 C ATOM 240 CG GLU A 16 -9.788 -8.626 -0.021 1.00 0.00 C ATOM 241 CD GLU A 16 -11.282 -8.848 -0.096 1.00 0.00 C ATOM 242 OE1 GLU A 16 -11.738 -9.975 0.177 1.00 0.00 O ATOM 243 OE2 GLU A 16 -12.008 -7.892 -0.437 1.00 0.00 O ATOM 0 H GLU A 16 -8.230 -6.937 3.322 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.235 -8.500 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.446 -9.062 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.992 -7.426 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.501 -7.856 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.272 -9.541 -0.312 1.00 0.00 H new ATOM 250 N THR A 17 -6.841 -6.516 -0.388 1.00 0.00 N ATOM 251 CA THR A 17 -6.638 -5.398 -1.287 1.00 0.00 C ATOM 252 C THR A 17 -7.501 -5.554 -2.531 1.00 0.00 C ATOM 253 O THR A 17 -7.606 -6.652 -3.084 1.00 0.00 O ATOM 254 CB THR A 17 -5.159 -5.295 -1.702 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.718 -6.558 -2.216 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.286 -4.888 -0.524 1.00 0.00 C ATOM 0 H THR A 17 -6.239 -7.319 -0.569 1.00 0.00 H new ATOM 0 HA THR A 17 -6.924 -4.487 -0.761 1.00 0.00 H new ATOM 0 HB THR A 17 -5.070 -4.529 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.068 -6.410 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.247 -4.823 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.611 -3.918 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.374 -5.631 0.268 1.00 0.00 H new ATOM 264 N MET A 18 -8.131 -4.469 -2.964 1.00 0.00 N ATOM 265 CA MET A 18 -8.915 -4.498 -4.187 1.00 0.00 C ATOM 266 C MET A 18 -7.985 -4.656 -5.382 1.00 0.00 C ATOM 267 O MET A 18 -6.935 -4.013 -5.439 1.00 0.00 O ATOM 268 CB MET A 18 -9.771 -3.234 -4.334 1.00 0.00 C ATOM 269 CG MET A 18 -10.801 -3.062 -3.229 1.00 0.00 C ATOM 270 SD MET A 18 -12.154 -1.973 -3.704 1.00 0.00 S ATOM 271 CE MET A 18 -13.171 -2.041 -2.230 1.00 0.00 C ATOM 0 H MET A 18 -8.114 -3.566 -2.489 1.00 0.00 H new ATOM 0 HA MET A 18 -9.595 -5.348 -4.142 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.117 -2.362 -4.348 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.284 -3.263 -5.295 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.204 -4.038 -2.958 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.312 -2.661 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.053 -1.415 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.481 -3.070 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.598 -1.679 -1.376 1.00 0.00 H new ATOM 281 N PRO A 19 -8.349 -5.538 -6.327 1.00 0.00 N ATOM 282 CA PRO A 19 -7.514 -5.862 -7.490 1.00 0.00 C ATOM 283 C PRO A 19 -7.011 -4.627 -8.231 1.00 0.00 C ATOM 284 O PRO A 19 -7.775 -3.932 -8.904 1.00 0.00 O ATOM 285 CB PRO A 19 -8.450 -6.674 -8.382 1.00 0.00 C ATOM 286 CG PRO A 19 -9.414 -7.300 -7.437 1.00 0.00 C ATOM 287 CD PRO A 19 -9.612 -6.300 -6.331 1.00 0.00 C ATOM 0 HA PRO A 19 -6.608 -6.392 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.960 -6.038 -9.106 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.904 -7.428 -8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.358 -7.526 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.025 -8.241 -7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.470 -5.655 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.788 -6.790 -5.373 1.00 0.00 H new ATOM 295 N VAL A 20 -5.720 -4.359 -8.087 1.00 0.00 N ATOM 296 CA VAL A 20 -5.092 -3.219 -8.735 1.00 0.00 C ATOM 297 C VAL A 20 -4.798 -3.520 -10.202 1.00 0.00 C ATOM 298 O VAL A 20 -4.669 -4.684 -10.589 1.00 0.00 O ATOM 299 CB VAL A 20 -3.778 -2.819 -8.022 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.053 -2.409 -6.585 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.763 -3.954 -8.069 1.00 0.00 C ATOM 0 H VAL A 20 -5.084 -4.922 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.794 -2.387 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.355 -1.965 -8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.117 -2.131 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.734 -1.558 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.506 -3.243 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.849 -3.646 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.176 -4.832 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.537 -4.197 -9.107 1.00 0.00 H new ATOM 311 N PRO A 21 -4.711 -2.476 -11.039 1.00 0.00 N ATOM 312 CA PRO A 21 -4.374 -2.624 -12.455 1.00 0.00 C ATOM 313 C PRO A 21 -2.959 -3.155 -12.650 1.00 0.00 C ATOM 314 O PRO A 21 -2.006 -2.646 -12.060 1.00 0.00 O ATOM 315 CB PRO A 21 -4.489 -1.200 -13.015 1.00 0.00 C ATOM 316 CG PRO A 21 -5.264 -0.437 -11.998 1.00 0.00 C ATOM 317 CD PRO A 21 -4.944 -1.071 -10.678 1.00 0.00 C ATOM 0 HA PRO A 21 -5.029 -3.339 -12.954 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.505 -0.759 -13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.997 -1.197 -13.980 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.984 0.617 -12.003 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.333 -0.484 -12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.065 -0.621 -10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.766 -0.966 -9.969 1.00 0.00 H new ATOM 325 N LYS A 22 -2.824 -4.172 -13.489 1.00 0.00 N ATOM 326 CA LYS A 22 -1.524 -4.766 -13.763 1.00 0.00 C ATOM 327 C LYS A 22 -0.805 -3.998 -14.865 1.00 0.00 C ATOM 328 O LYS A 22 0.250 -4.412 -15.338 1.00 0.00 O ATOM 329 CB LYS A 22 -1.670 -6.236 -14.158 1.00 0.00 C ATOM 330 CG LYS A 22 -2.329 -7.090 -13.091 1.00 0.00 C ATOM 331 CD LYS A 22 -2.319 -8.563 -13.467 1.00 0.00 C ATOM 332 CE LYS A 22 -3.090 -9.403 -12.462 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.590 -9.220 -11.073 1.00 0.00 N ATOM 0 H LYS A 22 -3.600 -4.603 -13.992 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.930 -4.710 -12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.255 -6.300 -15.075 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.684 -6.644 -14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.810 -6.953 -12.142 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.357 -6.759 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.755 -8.689 -14.458 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.290 -8.917 -13.524 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.146 -9.137 -12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.015 -10.455 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.076 -9.886 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.566 -9.400 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.778 -8.246 -10.762 1.00 0.00 H new ATOM 347 N LYS A 23 -1.397 -2.884 -15.273 1.00 0.00 N ATOM 348 CA LYS A 23 -0.811 -1.990 -16.265 1.00 0.00 C ATOM 349 C LYS A 23 -1.147 -0.547 -15.906 1.00 0.00 C ATOM 350 O LYS A 23 -2.320 -0.214 -15.729 1.00 0.00 O ATOM 351 CB LYS A 23 -1.350 -2.299 -17.669 1.00 0.00 C ATOM 352 CG LYS A 23 -0.968 -3.670 -18.214 1.00 0.00 C ATOM 353 CD LYS A 23 0.529 -3.787 -18.464 1.00 0.00 C ATOM 354 CE LYS A 23 1.013 -2.799 -19.517 1.00 0.00 C ATOM 355 NZ LYS A 23 0.337 -3.001 -20.827 1.00 0.00 N ATOM 0 H LYS A 23 -2.303 -2.572 -14.923 1.00 0.00 H new ATOM 0 HA LYS A 23 0.269 -2.137 -16.266 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.437 -2.221 -17.651 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.987 -1.536 -18.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.279 -4.440 -17.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.506 -3.853 -19.144 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.066 -3.614 -17.531 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.764 -4.802 -18.784 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.832 -1.782 -19.169 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.090 -2.905 -19.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.832 -2.455 -21.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.356 -4.011 -21.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.650 -2.679 -20.762 1.00 0.00 H new ATOM 369 N LEU A 24 -0.133 0.299 -15.778 1.00 0.00 N ATOM 370 CA LEU A 24 -0.360 1.702 -15.445 1.00 0.00 C ATOM 371 C LEU A 24 0.688 2.587 -16.114 1.00 0.00 C ATOM 372 O LEU A 24 1.889 2.326 -16.012 1.00 0.00 O ATOM 373 CB LEU A 24 -0.320 1.908 -13.926 1.00 0.00 C ATOM 374 CG LEU A 24 -1.136 3.100 -13.418 1.00 0.00 C ATOM 375 CD1 LEU A 24 -2.615 2.763 -13.403 1.00 0.00 C ATOM 376 CD2 LEU A 24 -0.679 3.524 -12.035 1.00 0.00 C ATOM 0 H LEU A 24 0.847 0.043 -15.898 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.347 1.983 -15.813 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.685 1.003 -13.441 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.718 2.038 -13.618 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.973 3.934 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.180 3.621 -13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.942 2.515 -14.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.787 1.910 -12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.275 4.372 -11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.805 2.694 -11.340 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.372 3.811 -12.071 1.00 0.00 H new ATOM 388 N LYS A 25 0.235 3.632 -16.794 1.00 0.00 N ATOM 389 CA LYS A 25 1.130 4.539 -17.503 1.00 0.00 C ATOM 390 C LYS A 25 1.796 5.521 -16.551 1.00 0.00 C ATOM 391 O LYS A 25 1.393 5.665 -15.393 1.00 0.00 O ATOM 392 CB LYS A 25 0.371 5.324 -18.575 1.00 0.00 C ATOM 393 CG LYS A 25 -0.087 4.483 -19.750 1.00 0.00 C ATOM 394 CD LYS A 25 -0.931 5.300 -20.718 1.00 0.00 C ATOM 395 CE LYS A 25 -1.291 4.499 -21.955 1.00 0.00 C ATOM 396 NZ LYS A 25 -0.099 4.199 -22.792 1.00 0.00 N ATOM 0 H LYS A 25 -0.753 3.874 -16.870 1.00 0.00 H new ATOM 0 HA LYS A 25 1.898 3.926 -17.973 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.499 5.794 -18.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.010 6.126 -18.943 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.781 4.080 -20.272 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.665 3.633 -19.388 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.842 5.630 -20.219 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.385 6.197 -21.010 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.768 3.566 -21.656 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.019 5.054 -22.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.407 3.850 -23.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.465 5.064 -22.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.480 3.473 -22.324 1.00 0.00 H new ATOM 410 N VAL A 26 2.811 6.203 -17.058 1.00 0.00 N ATOM 411 CA VAL A 26 3.498 7.234 -16.301 1.00 0.00 C ATOM 412 C VAL A 26 2.576 8.431 -16.092 1.00 0.00 C ATOM 413 O VAL A 26 2.121 9.054 -17.054 1.00 0.00 O ATOM 414 CB VAL A 26 4.781 7.697 -17.023 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.538 8.721 -16.194 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.670 6.505 -17.347 1.00 0.00 C ATOM 0 H VAL A 26 3.178 6.058 -17.998 1.00 0.00 H new ATOM 0 HA VAL A 26 3.777 6.810 -15.336 1.00 0.00 H new ATOM 0 HB VAL A 26 4.488 8.175 -17.958 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.437 9.029 -16.728 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.903 9.590 -16.021 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.817 8.280 -15.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.570 6.850 -17.856 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.948 5.996 -16.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.130 5.814 -17.994 1.00 0.00 H new ATOM 426 N GLY A 27 2.282 8.726 -14.838 1.00 0.00 N ATOM 427 CA GLY A 27 1.430 9.848 -14.518 1.00 0.00 C ATOM 428 C GLY A 27 0.073 9.418 -13.998 1.00 0.00 C ATOM 429 O GLY A 27 -0.629 10.200 -13.353 1.00 0.00 O ATOM 0 H GLY A 27 2.621 8.204 -14.030 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.921 10.471 -13.770 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.296 10.463 -15.408 1.00 0.00 H new ATOM 433 N GLU A 28 -0.301 8.175 -14.274 1.00 0.00 N ATOM 434 CA GLU A 28 -1.583 7.658 -13.821 1.00 0.00 C ATOM 435 C GLU A 28 -1.548 7.403 -12.322 1.00 0.00 C ATOM 436 O GLU A 28 -0.546 6.927 -11.783 1.00 0.00 O ATOM 437 CB GLU A 28 -1.959 6.373 -14.560 1.00 0.00 C ATOM 438 CG GLU A 28 -2.064 6.535 -16.064 1.00 0.00 C ATOM 439 CD GLU A 28 -2.872 5.426 -16.710 1.00 0.00 C ATOM 440 OE1 GLU A 28 -2.334 4.319 -16.906 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.058 5.657 -17.021 1.00 0.00 O ATOM 0 H GLU A 28 0.262 7.511 -14.806 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.341 8.409 -14.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.215 5.608 -14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.913 6.011 -14.176 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.524 7.496 -16.292 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.063 6.551 -16.496 1.00 0.00 H new ATOM 448 N THR A 29 -2.638 7.733 -11.653 1.00 0.00 N ATOM 449 CA THR A 29 -2.734 7.547 -10.219 1.00 0.00 C ATOM 450 C THR A 29 -3.837 6.550 -9.882 1.00 0.00 C ATOM 451 O THR A 29 -5.009 6.775 -10.186 1.00 0.00 O ATOM 452 CB THR A 29 -3.001 8.884 -9.511 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.028 9.850 -9.930 1.00 0.00 O ATOM 454 CG2 THR A 29 -2.942 8.725 -7.998 1.00 0.00 C ATOM 0 H THR A 29 -3.472 8.133 -12.083 1.00 0.00 H new ATOM 0 HA THR A 29 -1.781 7.152 -9.866 1.00 0.00 H new ATOM 0 HB THR A 29 -4.001 9.222 -9.781 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.259 9.824 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.135 9.687 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.695 8.005 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.954 8.369 -7.708 1.00 0.00 H new ATOM 462 N ALA A 30 -3.450 5.441 -9.275 1.00 0.00 N ATOM 463 CA ALA A 30 -4.389 4.395 -8.910 1.00 0.00 C ATOM 464 C ALA A 30 -4.576 4.354 -7.401 1.00 0.00 C ATOM 465 O ALA A 30 -3.603 4.272 -6.653 1.00 0.00 O ATOM 466 CB ALA A 30 -3.883 3.054 -9.417 1.00 0.00 C ATOM 0 H ALA A 30 -2.482 5.241 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.354 4.608 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.589 2.271 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.784 3.089 -10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.912 2.839 -8.971 1.00 0.00 H new ATOM 472 N GLU A 31 -5.821 4.430 -6.952 1.00 0.00 N ATOM 473 CA GLU A 31 -6.106 4.358 -5.529 1.00 0.00 C ATOM 474 C GLU A 31 -6.224 2.906 -5.079 1.00 0.00 C ATOM 475 O GLU A 31 -7.222 2.231 -5.339 1.00 0.00 O ATOM 476 CB GLU A 31 -7.365 5.156 -5.166 1.00 0.00 C ATOM 477 CG GLU A 31 -8.568 4.879 -6.051 1.00 0.00 C ATOM 478 CD GLU A 31 -9.806 5.612 -5.578 1.00 0.00 C ATOM 479 OE1 GLU A 31 -9.757 6.854 -5.453 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.829 4.946 -5.304 1.00 0.00 O ATOM 0 H GLU A 31 -6.642 4.540 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.271 4.813 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.633 4.936 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.132 6.220 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.340 5.177 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.766 3.807 -6.067 1.00 0.00 H new ATOM 487 N ILE A 32 -5.178 2.430 -4.426 1.00 0.00 N ATOM 488 CA ILE A 32 -5.148 1.078 -3.908 1.00 0.00 C ATOM 489 C ILE A 32 -5.988 1.000 -2.642 1.00 0.00 C ATOM 490 O ILE A 32 -5.558 1.419 -1.566 1.00 0.00 O ATOM 491 CB ILE A 32 -3.704 0.616 -3.602 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.819 0.786 -4.841 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.696 -0.835 -3.138 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.363 0.426 -4.612 1.00 0.00 C ATOM 0 H ILE A 32 -4.331 2.968 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.557 0.416 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.303 1.236 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.214 0.165 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.878 1.821 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.672 -1.144 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.298 -0.931 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.112 -1.469 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.802 0.573 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.949 1.064 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.290 -0.617 -4.305 1.00 0.00 H new ATOM 506 N ARG A 33 -7.202 0.505 -2.790 1.00 0.00 N ATOM 507 CA ARG A 33 -8.113 0.375 -1.670 1.00 0.00 C ATOM 508 C ARG A 33 -7.832 -0.907 -0.908 1.00 0.00 C ATOM 509 O ARG A 33 -7.974 -2.009 -1.445 1.00 0.00 O ATOM 510 CB ARG A 33 -9.561 0.407 -2.157 1.00 0.00 C ATOM 511 CG ARG A 33 -9.948 1.731 -2.793 1.00 0.00 C ATOM 512 CD ARG A 33 -11.395 1.730 -3.255 1.00 0.00 C ATOM 513 NE ARG A 33 -11.619 0.837 -4.392 1.00 0.00 N ATOM 514 CZ ARG A 33 -11.935 1.248 -5.622 1.00 0.00 C ATOM 515 NH1 ARG A 33 -11.955 2.543 -5.918 1.00 0.00 N ATOM 516 NH2 ARG A 33 -12.204 0.362 -6.572 1.00 0.00 N ATOM 0 H ARG A 33 -7.581 0.185 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.959 1.217 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.712 -0.394 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.225 0.207 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.795 2.538 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.295 1.932 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.037 1.428 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.686 2.744 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.528 -0.167 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.728 3.233 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.198 2.847 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.170 -0.636 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.445 0.679 -7.511 1.00 0.00 H new ATOM 530 N CYS A 34 -7.425 -0.753 0.337 1.00 0.00 N ATOM 531 CA CYS A 34 -7.074 -1.886 1.172 1.00 0.00 C ATOM 532 C CYS A 34 -8.106 -2.061 2.277 1.00 0.00 C ATOM 533 O CYS A 34 -8.465 -1.097 2.957 1.00 0.00 O ATOM 534 CB CYS A 34 -5.686 -1.679 1.776 1.00 0.00 C ATOM 535 SG CYS A 34 -4.403 -1.313 0.556 1.00 0.00 S ATOM 0 H CYS A 34 -7.329 0.153 0.796 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.061 -2.787 0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.732 -0.862 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.403 -2.575 2.328 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.799 -0.342 -0.212 1.00 0.00 H new ATOM 541 N GLN A 35 -8.586 -3.282 2.442 1.00 0.00 N ATOM 542 CA GLN A 35 -9.601 -3.567 3.438 1.00 0.00 C ATOM 543 C GLN A 35 -9.020 -4.421 4.557 1.00 0.00 C ATOM 544 O GLN A 35 -8.703 -5.592 4.353 1.00 0.00 O ATOM 545 CB GLN A 35 -10.769 -4.313 2.786 1.00 0.00 C ATOM 546 CG GLN A 35 -12.005 -4.401 3.661 1.00 0.00 C ATOM 547 CD GLN A 35 -12.813 -3.121 3.646 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.277 -2.034 3.445 1.00 0.00 O ATOM 549 NE2 GLN A 35 -14.109 -3.244 3.856 1.00 0.00 N ATOM 0 H GLN A 35 -8.288 -4.092 1.898 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.954 -2.624 3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.031 -3.814 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.445 -5.321 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.630 -5.226 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.707 -4.628 4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.514 -4.166 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.706 -2.417 3.855 1.00 0.00 H new ATOM 558 N LEU A 36 -8.887 -3.843 5.737 1.00 0.00 N ATOM 559 CA LEU A 36 -8.441 -4.592 6.897 1.00 0.00 C ATOM 560 C LEU A 36 -9.653 -5.028 7.707 1.00 0.00 C ATOM 561 O LEU A 36 -10.460 -4.199 8.127 1.00 0.00 O ATOM 562 CB LEU A 36 -7.476 -3.745 7.747 1.00 0.00 C ATOM 563 CG LEU A 36 -6.850 -4.443 8.965 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.503 -3.821 9.291 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.761 -4.340 10.179 1.00 0.00 C ATOM 0 H LEU A 36 -9.081 -2.858 5.917 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.898 -5.480 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.670 -3.394 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.012 -2.863 8.096 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.715 -5.496 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.070 -4.324 10.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.836 -3.929 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.636 -2.763 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.295 -4.842 11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.924 -3.290 10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.717 -4.814 9.958 1.00 0.00 H new ATOM 577 N HIS A 37 -9.798 -6.329 7.894 1.00 0.00 N ATOM 578 CA HIS A 37 -10.907 -6.861 8.672 1.00 0.00 C ATOM 579 C HIS A 37 -10.548 -6.857 10.146 1.00 0.00 C ATOM 580 O HIS A 37 -9.808 -7.720 10.616 1.00 0.00 O ATOM 581 CB HIS A 37 -11.266 -8.279 8.224 1.00 0.00 C ATOM 582 CG HIS A 37 -11.648 -8.375 6.781 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.015 -9.213 5.896 1.00 0.00 N ATOM 584 CD2 HIS A 37 -12.612 -7.740 6.073 1.00 0.00 C ATOM 585 CE1 HIS A 37 -11.567 -9.090 4.706 1.00 0.00 C ATOM 586 NE2 HIS A 37 -12.542 -8.204 4.782 1.00 0.00 N ATOM 0 H HIS A 37 -9.165 -7.035 7.520 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.777 -6.225 8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.416 -8.935 8.410 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.091 -8.645 8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.307 -7.005 6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.271 -9.625 3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -13.143 -7.913 4.011 1.00 0.00 H new ATOM 595 N ARG A 38 -11.053 -5.873 10.865 1.00 0.00 N ATOM 596 CA ARG A 38 -10.744 -5.732 12.273 1.00 0.00 C ATOM 597 C ARG A 38 -11.799 -6.415 13.127 1.00 0.00 C ATOM 598 O ARG A 38 -12.916 -5.921 13.267 1.00 0.00 O ATOM 599 CB ARG A 38 -10.632 -4.256 12.659 1.00 0.00 C ATOM 600 CG ARG A 38 -10.421 -4.033 14.149 1.00 0.00 C ATOM 601 CD ARG A 38 -10.228 -2.562 14.479 1.00 0.00 C ATOM 602 NE ARG A 38 -11.353 -1.737 14.034 1.00 0.00 N ATOM 603 CZ ARG A 38 -12.065 -0.950 14.841 1.00 0.00 C ATOM 604 NH1 ARG A 38 -11.838 -0.961 16.150 1.00 0.00 N ATOM 605 NH2 ARG A 38 -13.018 -0.176 14.336 1.00 0.00 N ATOM 0 H ARG A 38 -11.680 -5.159 10.495 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.783 -6.213 12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.803 -3.807 12.112 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.538 -3.737 12.347 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.279 -4.419 14.699 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.549 -4.597 14.481 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.101 -2.448 15.556 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.311 -2.205 14.010 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.607 -1.766 13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.119 -1.572 16.538 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.383 -0.359 16.767 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.204 -0.184 13.333 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.564 0.427 14.951 1.00 0.00 H new ATOM 619 N ASP A 39 -11.438 -7.556 13.687 1.00 0.00 N ATOM 620 CA ASP A 39 -12.324 -8.269 14.597 1.00 0.00 C ATOM 621 C ASP A 39 -11.839 -8.107 16.027 1.00 0.00 C ATOM 622 O ASP A 39 -12.631 -8.014 16.963 1.00 0.00 O ATOM 623 CB ASP A 39 -12.382 -9.755 14.246 1.00 0.00 C ATOM 624 CG ASP A 39 -13.429 -10.496 15.051 1.00 0.00 C ATOM 625 OD1 ASP A 39 -14.632 -10.292 14.793 1.00 0.00 O ATOM 626 OD2 ASP A 39 -13.062 -11.281 15.947 1.00 0.00 O ATOM 0 H ASP A 39 -10.539 -8.010 13.529 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.324 -7.846 14.499 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.598 -9.867 13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.405 -10.206 14.422 1.00 0.00 H new ATOM 631 N GLY A 40 -10.526 -8.062 16.186 1.00 0.00 N ATOM 632 CA GLY A 40 -9.943 -7.933 17.501 1.00 0.00 C ATOM 633 C GLY A 40 -9.859 -6.494 17.965 1.00 0.00 C ATOM 634 O GLY A 40 -9.058 -5.715 17.449 1.00 0.00 O ATOM 0 H GLY A 40 -9.852 -8.113 15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.535 -8.506 18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.943 -8.367 17.495 1.00 0.00 H new ATOM 638 N ARG A 41 -10.717 -6.139 18.914 1.00 0.00 N ATOM 639 CA ARG A 41 -10.634 -4.848 19.592 1.00 0.00 C ATOM 640 C ARG A 41 -9.250 -4.679 20.222 1.00 0.00 C ATOM 641 O ARG A 41 -8.852 -5.453 21.096 1.00 0.00 O ATOM 642 CB ARG A 41 -11.744 -4.738 20.643 1.00 0.00 C ATOM 643 CG ARG A 41 -11.980 -6.029 21.408 1.00 0.00 C ATOM 644 CD ARG A 41 -13.292 -5.996 22.171 1.00 0.00 C ATOM 645 NE ARG A 41 -13.692 -7.332 22.617 1.00 0.00 N ATOM 646 CZ ARG A 41 -14.906 -7.846 22.424 1.00 0.00 C ATOM 647 NH1 ARG A 41 -15.845 -7.131 21.815 1.00 0.00 N ATOM 648 NH2 ARG A 41 -15.174 -9.078 22.832 1.00 0.00 N ATOM 0 H ARG A 41 -11.484 -6.731 19.234 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.775 -4.046 18.868 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.489 -3.947 21.349 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.671 -4.440 20.152 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.984 -6.869 20.713 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.158 -6.195 22.104 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.195 -5.338 23.034 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.072 -5.575 21.536 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.001 -7.903 23.104 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.638 -6.185 21.493 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.773 -7.527 21.669 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.451 -9.631 23.293 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.103 -9.473 22.685 1.00 0.00 H new ATOM 662 N PHE A 42 -8.526 -3.663 19.770 1.00 0.00 N ATOM 663 CA PHE A 42 -7.107 -3.541 20.071 1.00 0.00 C ATOM 664 C PHE A 42 -6.812 -2.373 21.001 1.00 0.00 C ATOM 665 O PHE A 42 -7.574 -1.408 21.076 1.00 0.00 O ATOM 666 CB PHE A 42 -6.319 -3.365 18.768 1.00 0.00 C ATOM 667 CG PHE A 42 -6.648 -2.099 18.019 1.00 0.00 C ATOM 668 CD1 PHE A 42 -7.677 -2.072 17.094 1.00 0.00 C ATOM 669 CD2 PHE A 42 -5.922 -0.937 18.240 1.00 0.00 C ATOM 670 CE1 PHE A 42 -7.977 -0.912 16.404 1.00 0.00 C ATOM 671 CE2 PHE A 42 -6.218 0.224 17.553 1.00 0.00 C ATOM 672 CZ PHE A 42 -7.246 0.236 16.633 1.00 0.00 C ATOM 0 H PHE A 42 -8.900 -2.910 19.192 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.802 -4.455 20.581 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.253 -3.374 18.996 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.513 -4.219 18.120 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.252 -2.967 16.909 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.115 -0.941 18.958 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.783 -0.904 15.686 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.645 1.121 17.736 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.478 1.142 16.093 1.00 0.00 H new ATOM 682 N GLU A 43 -5.687 -2.471 21.698 1.00 0.00 N ATOM 683 CA GLU A 43 -5.184 -1.374 22.509 1.00 0.00 C ATOM 684 C GLU A 43 -3.838 -0.907 21.962 1.00 0.00 C ATOM 685 O GLU A 43 -3.718 0.194 21.419 1.00 0.00 O ATOM 686 CB GLU A 43 -5.038 -1.803 23.970 1.00 0.00 C ATOM 687 CG GLU A 43 -6.354 -2.168 24.633 1.00 0.00 C ATOM 688 CD GLU A 43 -6.183 -2.550 26.087 1.00 0.00 C ATOM 689 OE1 GLU A 43 -6.125 -1.643 26.945 1.00 0.00 O ATOM 690 OE2 GLU A 43 -6.113 -3.758 26.385 1.00 0.00 O ATOM 0 H GLU A 43 -5.103 -3.307 21.716 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.897 -0.551 22.465 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.365 -2.659 24.023 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.570 -0.995 24.532 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.040 -1.324 24.561 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.811 -2.998 24.094 1.00 0.00 H new ATOM 697 N GLU A 44 -2.841 -1.770 22.076 1.00 0.00 N ATOM 698 CA GLU A 44 -1.495 -1.471 21.604 1.00 0.00 C ATOM 699 C GLU A 44 -1.305 -1.999 20.188 1.00 0.00 C ATOM 700 O GLU A 44 -0.368 -1.621 19.487 1.00 0.00 O ATOM 701 CB GLU A 44 -0.450 -2.099 22.538 1.00 0.00 C ATOM 702 CG GLU A 44 -0.319 -3.615 22.411 1.00 0.00 C ATOM 703 CD GLU A 44 -1.558 -4.375 22.855 1.00 0.00 C ATOM 704 OE1 GLU A 44 -2.555 -4.398 22.096 1.00 0.00 O ATOM 705 OE2 GLU A 44 -1.532 -4.958 23.957 1.00 0.00 O ATOM 0 H GLU A 44 -2.939 -2.694 22.496 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.362 -0.389 21.601 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.520 -1.645 22.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.708 -1.854 23.568 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.102 -3.866 21.373 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.533 -3.948 23.004 1.00 0.00 H new ATOM 712 N THR A 45 -2.208 -2.887 19.793 1.00 0.00 N ATOM 713 CA THR A 45 -2.181 -3.510 18.479 1.00 0.00 C ATOM 714 C THR A 45 -2.514 -2.490 17.385 1.00 0.00 C ATOM 715 O THR A 45 -3.644 -2.420 16.902 1.00 0.00 O ATOM 716 CB THR A 45 -3.183 -4.684 18.431 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.965 -5.563 19.548 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.061 -5.473 17.137 1.00 0.00 C ATOM 0 H THR A 45 -2.983 -3.196 20.379 1.00 0.00 H new ATOM 0 HA THR A 45 -1.175 -3.889 18.299 1.00 0.00 H new ATOM 0 HB THR A 45 -4.187 -4.262 18.480 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.996 -5.047 20.381 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.782 -6.291 17.140 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.261 -4.816 16.290 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.053 -5.878 17.052 1.00 0.00 H new ATOM 726 N LYS A 46 -1.536 -1.666 17.039 1.00 0.00 N ATOM 727 CA LYS A 46 -1.713 -0.652 16.014 1.00 0.00 C ATOM 728 C LYS A 46 -1.021 -1.077 14.728 1.00 0.00 C ATOM 729 O LYS A 46 -0.044 -1.825 14.757 1.00 0.00 O ATOM 730 CB LYS A 46 -1.178 0.699 16.494 1.00 0.00 C ATOM 731 CG LYS A 46 -1.921 1.249 17.703 1.00 0.00 C ATOM 732 CD LYS A 46 -1.427 2.633 18.086 1.00 0.00 C ATOM 733 CE LYS A 46 -2.179 3.179 19.290 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.959 2.360 20.511 1.00 0.00 N ATOM 0 H LYS A 46 -0.606 -1.682 17.457 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.779 -0.543 15.814 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.122 0.596 16.742 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.245 1.418 15.678 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.988 1.291 17.486 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.794 0.571 18.547 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.361 2.591 18.310 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.549 3.311 17.241 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.861 4.204 19.480 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.245 3.213 19.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.958 2.978 21.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.721 1.658 20.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.044 1.871 20.441 1.00 0.00 H new ATOM 748 N TYR A 47 -1.525 -0.587 13.609 1.00 0.00 N ATOM 749 CA TYR A 47 -1.072 -1.047 12.307 1.00 0.00 C ATOM 750 C TYR A 47 -0.054 -0.085 11.711 1.00 0.00 C ATOM 751 O TYR A 47 -0.233 1.134 11.753 1.00 0.00 O ATOM 752 CB TYR A 47 -2.267 -1.191 11.363 1.00 0.00 C ATOM 753 CG TYR A 47 -3.483 -1.794 12.026 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.473 -3.107 12.484 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.640 -1.047 12.200 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.581 -3.653 13.097 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.753 -1.588 12.812 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.718 -2.891 13.258 1.00 0.00 C ATOM 759 OH TYR A 47 -6.820 -3.434 13.876 1.00 0.00 O ATOM 0 H TYR A 47 -2.249 0.130 13.575 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.591 -2.017 12.435 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.527 -0.210 10.966 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.979 -1.812 10.515 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.584 -3.708 12.358 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.670 -0.025 11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.558 -4.674 13.449 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.645 -0.994 12.940 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.612 -4.343 14.176 1.00 0.00 H new ATOM 769 N PHE A 48 1.011 -0.639 11.156 1.00 0.00 N ATOM 770 CA PHE A 48 2.046 0.154 10.516 1.00 0.00 C ATOM 771 C PHE A 48 2.235 -0.306 9.077 1.00 0.00 C ATOM 772 O PHE A 48 2.149 -1.500 8.780 1.00 0.00 O ATOM 773 CB PHE A 48 3.366 0.031 11.281 1.00 0.00 C ATOM 774 CG PHE A 48 3.271 0.454 12.720 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.314 1.796 13.063 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.135 -0.489 13.726 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.222 2.190 14.385 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.041 -0.102 15.049 1.00 0.00 C ATOM 779 CZ PHE A 48 3.085 1.240 15.378 1.00 0.00 C ATOM 0 H PHE A 48 1.182 -1.644 11.136 1.00 0.00 H new ATOM 0 HA PHE A 48 1.738 1.199 10.521 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.706 -1.004 11.237 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.123 0.637 10.782 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.421 2.542 12.289 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.102 -1.538 13.473 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.257 3.239 14.641 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.933 -0.846 15.824 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.012 1.545 16.411 1.00 0.00 H new ATOM 789 N ILE A 49 2.484 0.637 8.188 1.00 0.00 N ATOM 790 CA ILE A 49 2.633 0.327 6.780 1.00 0.00 C ATOM 791 C ILE A 49 4.085 0.491 6.339 1.00 0.00 C ATOM 792 O ILE A 49 4.727 1.510 6.605 1.00 0.00 O ATOM 793 CB ILE A 49 1.694 1.200 5.916 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.779 0.798 4.443 1.00 0.00 C ATOM 795 CG2 ILE A 49 2.006 2.685 6.084 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.766 1.505 3.573 1.00 0.00 C ATOM 0 H ILE A 49 2.587 1.626 8.417 1.00 0.00 H new ATOM 0 HA ILE A 49 2.349 -0.715 6.635 1.00 0.00 H new ATOM 0 HB ILE A 49 0.675 1.029 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.781 1.014 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.633 -0.279 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.329 3.272 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.878 2.968 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.035 2.877 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.880 1.175 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.240 1.269 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.926 2.582 3.630 1.00 0.00 H new ATOM 808 N ARG A 50 4.596 -0.536 5.683 1.00 0.00 N ATOM 809 CA ARG A 50 5.969 -0.559 5.212 1.00 0.00 C ATOM 810 C ARG A 50 5.984 -0.847 3.714 1.00 0.00 C ATOM 811 O ARG A 50 5.191 -1.651 3.225 1.00 0.00 O ATOM 812 CB ARG A 50 6.758 -1.635 5.974 1.00 0.00 C ATOM 813 CG ARG A 50 8.242 -1.683 5.634 1.00 0.00 C ATOM 814 CD ARG A 50 8.955 -0.411 6.060 1.00 0.00 C ATOM 815 NE ARG A 50 10.359 -0.410 5.655 1.00 0.00 N ATOM 816 CZ ARG A 50 11.008 0.676 5.246 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.389 1.848 5.220 1.00 0.00 N ATOM 818 NH2 ARG A 50 12.276 0.597 4.865 1.00 0.00 N ATOM 0 H ARG A 50 4.068 -1.380 5.461 1.00 0.00 H new ATOM 0 HA ARG A 50 6.437 0.409 5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.648 -1.460 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.317 -2.609 5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.701 -2.540 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.365 -1.828 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.451 0.451 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.890 -0.304 7.143 1.00 0.00 H new ATOM 0 HE ARG A 50 10.870 -1.292 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.415 1.917 5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.887 2.681 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.759 -0.301 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.768 1.434 4.552 1.00 0.00 H new ATOM 832 N TYR A 51 6.865 -0.181 2.988 1.00 0.00 N ATOM 833 CA TYR A 51 6.954 -0.367 1.548 1.00 0.00 C ATOM 834 C TYR A 51 8.390 -0.598 1.113 1.00 0.00 C ATOM 835 O TYR A 51 9.326 -0.099 1.737 1.00 0.00 O ATOM 836 CB TYR A 51 6.385 0.848 0.813 1.00 0.00 C ATOM 837 CG TYR A 51 4.958 0.671 0.354 1.00 0.00 C ATOM 838 CD1 TYR A 51 3.891 0.987 1.181 1.00 0.00 C ATOM 839 CD2 TYR A 51 4.681 0.188 -0.918 1.00 0.00 C ATOM 840 CE1 TYR A 51 2.587 0.823 0.754 1.00 0.00 C ATOM 841 CE2 TYR A 51 3.381 0.024 -1.351 1.00 0.00 C ATOM 842 CZ TYR A 51 2.339 0.341 -0.513 1.00 0.00 C ATOM 843 OH TYR A 51 1.041 0.174 -0.943 1.00 0.00 O ATOM 0 H TYR A 51 7.529 0.493 3.370 1.00 0.00 H new ATOM 0 HA TYR A 51 6.367 -1.249 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.440 1.716 1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.011 1.063 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.082 1.367 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.497 -0.064 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.766 1.071 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.183 -0.352 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 51 1.042 -0.173 -1.860 1.00 0.00 H new ATOM 853 N PHE A 52 8.547 -1.375 0.053 1.00 0.00 N ATOM 854 CA PHE A 52 9.840 -1.580 -0.571 1.00 0.00 C ATOM 855 C PHE A 52 9.665 -1.621 -2.084 1.00 0.00 C ATOM 856 O PHE A 52 8.853 -2.386 -2.603 1.00 0.00 O ATOM 857 CB PHE A 52 10.487 -2.873 -0.069 1.00 0.00 C ATOM 858 CG PHE A 52 11.872 -3.093 -0.609 1.00 0.00 C ATOM 859 CD1 PHE A 52 12.940 -2.353 -0.128 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.105 -4.038 -1.596 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.214 -2.550 -0.623 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.379 -4.238 -2.094 1.00 0.00 C ATOM 863 CZ PHE A 52 14.434 -3.493 -1.606 1.00 0.00 C ATOM 0 H PHE A 52 7.783 -1.879 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 52 10.500 -0.754 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.528 -2.851 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.857 -3.718 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.774 -1.614 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.283 -4.624 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.038 -1.966 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.549 -4.976 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.430 -3.648 -1.993 1.00 0.00 H new ATOM 873 N GLN A 53 10.410 -0.783 -2.789 1.00 0.00 N ATOM 874 CA GLN A 53 10.283 -0.693 -4.236 1.00 0.00 C ATOM 875 C GLN A 53 11.610 -1.001 -4.924 1.00 0.00 C ATOM 876 O GLN A 53 12.516 -0.167 -4.937 1.00 0.00 O ATOM 877 CB GLN A 53 9.801 0.704 -4.637 1.00 0.00 C ATOM 878 CG GLN A 53 8.413 1.047 -4.122 1.00 0.00 C ATOM 879 CD GLN A 53 8.041 2.497 -4.367 1.00 0.00 C ATOM 880 OE1 GLN A 53 8.305 3.363 -3.538 1.00 0.00 O ATOM 881 NE2 GLN A 53 7.429 2.775 -5.508 1.00 0.00 N ATOM 0 H GLN A 53 11.107 -0.157 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 53 9.550 -1.433 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.510 1.443 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.804 0.781 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.680 0.401 -4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.365 0.839 -3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.226 2.029 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.161 3.736 -5.722 1.00 0.00 H new ATOM 890 N PRO A 54 11.747 -2.222 -5.476 1.00 0.00 N ATOM 891 CA PRO A 54 12.906 -2.602 -6.293 1.00 0.00 C ATOM 892 C PRO A 54 13.124 -1.634 -7.453 1.00 0.00 C ATOM 893 O PRO A 54 14.258 -1.364 -7.849 1.00 0.00 O ATOM 894 CB PRO A 54 12.538 -3.994 -6.816 1.00 0.00 C ATOM 895 CG PRO A 54 11.562 -4.526 -5.827 1.00 0.00 C ATOM 896 CD PRO A 54 10.800 -3.337 -5.311 1.00 0.00 C ATOM 0 HA PRO A 54 13.835 -2.586 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.101 -3.939 -7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.417 -4.635 -6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.890 -5.247 -6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.073 -5.044 -5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.883 -3.172 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.512 -3.467 -4.268 1.00 0.00 H new ATOM 904 N ASP A 55 12.026 -1.120 -7.993 1.00 0.00 N ATOM 905 CA ASP A 55 12.092 -0.088 -9.022 1.00 0.00 C ATOM 906 C ASP A 55 12.186 1.284 -8.365 1.00 0.00 C ATOM 907 O ASP A 55 13.273 1.843 -8.222 1.00 0.00 O ATOM 908 CB ASP A 55 10.876 -0.168 -9.950 1.00 0.00 C ATOM 909 CG ASP A 55 10.899 0.893 -11.032 1.00 0.00 C ATOM 910 OD1 ASP A 55 11.683 0.754 -11.994 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.137 1.869 -10.918 1.00 0.00 O ATOM 0 H ASP A 55 11.079 -1.400 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 55 12.982 -0.249 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.841 -1.154 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.966 -0.061 -9.360 1.00 0.00 H new ATOM 916 N GLY A 56 11.046 1.810 -7.954 1.00 0.00 N ATOM 917 CA GLY A 56 11.029 3.016 -7.143 1.00 0.00 C ATOM 918 C GLY A 56 10.519 4.241 -7.876 1.00 0.00 C ATOM 919 O GLY A 56 10.375 5.309 -7.276 1.00 0.00 O ATOM 0 H GLY A 56 10.126 1.425 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.405 2.844 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.038 3.214 -6.783 1.00 0.00 H new ATOM 923 N ALA A 57 10.233 4.102 -9.161 1.00 0.00 N ATOM 924 CA ALA A 57 9.769 5.234 -9.948 1.00 0.00 C ATOM 925 C ALA A 57 8.274 5.453 -9.755 1.00 0.00 C ATOM 926 O ALA A 57 7.446 4.780 -10.372 1.00 0.00 O ATOM 927 CB ALA A 57 10.100 5.033 -11.417 1.00 0.00 C ATOM 0 H ALA A 57 10.313 3.226 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 57 10.287 6.127 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.745 5.890 -11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.179 4.938 -11.537 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.613 4.127 -11.779 1.00 0.00 H new ATOM 933 N GLY A 58 7.930 6.381 -8.876 1.00 0.00 N ATOM 934 CA GLY A 58 6.540 6.696 -8.643 1.00 0.00 C ATOM 935 C GLY A 58 6.338 7.537 -7.402 1.00 0.00 C ATOM 936 O GLY A 58 7.278 7.770 -6.640 1.00 0.00 O ATOM 0 H GLY A 58 8.592 6.922 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.141 7.227 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.972 5.771 -8.548 1.00 0.00 H new ATOM 940 N THR A 59 5.114 8.001 -7.216 1.00 0.00 N ATOM 941 CA THR A 59 4.747 8.784 -6.051 1.00 0.00 C ATOM 942 C THR A 59 3.563 8.128 -5.346 1.00 0.00 C ATOM 943 O THR A 59 2.510 7.922 -5.946 1.00 0.00 O ATOM 944 CB THR A 59 4.373 10.222 -6.455 1.00 0.00 C ATOM 945 OG1 THR A 59 5.366 10.747 -7.346 1.00 0.00 O ATOM 946 CG2 THR A 59 4.259 11.122 -5.232 1.00 0.00 C ATOM 0 H THR A 59 4.347 7.845 -7.870 1.00 0.00 H new ATOM 0 HA THR A 59 5.603 8.824 -5.377 1.00 0.00 H new ATOM 0 HB THR A 59 3.405 10.196 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.125 11.661 -7.603 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.994 12.131 -5.547 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.488 10.735 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.214 11.145 -4.707 1.00 0.00 H new ATOM 954 N LEU A 60 3.744 7.788 -4.082 1.00 0.00 N ATOM 955 CA LEU A 60 2.719 7.086 -3.331 1.00 0.00 C ATOM 956 C LEU A 60 2.341 7.865 -2.079 1.00 0.00 C ATOM 957 O LEU A 60 3.197 8.181 -1.252 1.00 0.00 O ATOM 958 CB LEU A 60 3.221 5.692 -2.954 1.00 0.00 C ATOM 959 CG LEU A 60 2.249 4.844 -2.132 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.991 4.530 -2.927 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.929 3.566 -1.681 1.00 0.00 C ATOM 0 H LEU A 60 4.593 7.987 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 60 1.830 6.992 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.463 5.152 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.149 5.798 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 60 1.953 5.415 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.318 3.926 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.494 5.460 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.258 3.979 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.230 2.968 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.251 2.998 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.796 3.812 -1.068 1.00 0.00 H new ATOM 973 N LYS A 61 1.062 8.183 -1.944 1.00 0.00 N ATOM 974 CA LYS A 61 0.584 8.897 -0.771 1.00 0.00 C ATOM 975 C LYS A 61 -0.601 8.175 -0.143 1.00 0.00 C ATOM 976 O LYS A 61 -1.412 7.559 -0.837 1.00 0.00 O ATOM 977 CB LYS A 61 0.170 10.329 -1.122 1.00 0.00 C ATOM 978 CG LYS A 61 1.215 11.113 -1.898 1.00 0.00 C ATOM 979 CD LYS A 61 0.944 12.606 -1.831 1.00 0.00 C ATOM 980 CE LYS A 61 1.740 13.371 -2.876 1.00 0.00 C ATOM 981 NZ LYS A 61 1.108 13.290 -4.220 1.00 0.00 N ATOM 0 H LYS A 61 0.340 7.959 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 61 1.407 8.931 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.749 10.295 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.058 10.864 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.205 10.902 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.219 10.788 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.120 12.789 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.197 12.977 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.824 14.416 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.753 12.971 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.680 13.824 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.051 12.295 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.151 13.694 -4.178 1.00 0.00 H new ATOM 995 N MET A 62 -0.687 8.256 1.172 1.00 0.00 N ATOM 996 CA MET A 62 -1.811 7.708 1.911 1.00 0.00 C ATOM 997 C MET A 62 -3.024 8.620 1.732 1.00 0.00 C ATOM 998 O MET A 62 -2.878 9.771 1.322 1.00 0.00 O ATOM 999 CB MET A 62 -1.446 7.586 3.398 1.00 0.00 C ATOM 1000 CG MET A 62 -2.476 6.845 4.237 1.00 0.00 C ATOM 1001 SD MET A 62 -2.061 6.814 5.991 1.00 0.00 S ATOM 1002 CE MET A 62 -0.486 5.964 5.954 1.00 0.00 C ATOM 0 H MET A 62 0.019 8.703 1.758 1.00 0.00 H new ATOM 0 HA MET A 62 -2.053 6.715 1.531 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.488 7.073 3.484 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.311 8.586 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.450 7.317 4.108 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.566 5.822 3.872 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.412 5.297 6.813 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.408 5.383 5.035 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.322 6.694 5.991 1.00 0.00 H new ATOM 1012 N SER A 63 -4.210 8.100 2.027 1.00 0.00 N ATOM 1013 CA SER A 63 -5.452 8.864 1.928 1.00 0.00 C ATOM 1014 C SER A 63 -5.366 10.208 2.664 1.00 0.00 C ATOM 1015 O SER A 63 -5.992 11.182 2.254 1.00 0.00 O ATOM 1016 CB SER A 63 -6.605 8.033 2.498 1.00 0.00 C ATOM 1017 OG SER A 63 -7.864 8.625 2.225 1.00 0.00 O ATOM 0 H SER A 63 -4.340 7.138 2.341 1.00 0.00 H new ATOM 0 HA SER A 63 -5.627 9.081 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.575 7.030 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.479 7.927 3.575 1.00 0.00 H new ATOM 0 HG SER A 63 -8.576 8.067 2.602 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.589 10.258 3.741 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.489 11.468 4.559 1.00 0.00 C ATOM 1025 C ASP A 64 -3.405 12.408 4.045 1.00 0.00 C ATOM 1026 O ASP A 64 -3.099 13.419 4.677 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.207 11.106 6.018 1.00 0.00 C ATOM 1028 CG ASP A 64 -5.298 10.250 6.618 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -6.329 10.806 7.054 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -5.132 9.014 6.649 1.00 0.00 O ATOM 0 H ASP A 64 -4.019 9.478 4.070 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.446 11.985 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.257 10.576 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.102 12.020 6.603 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.822 12.077 2.901 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.811 12.932 2.309 1.00 0.00 C ATOM 1037 C GLY A 65 -0.401 12.513 2.673 1.00 0.00 C ATOM 1038 O GLY A 65 0.560 12.929 2.027 1.00 0.00 O ATOM 0 H GLY A 65 -3.031 11.231 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.920 12.919 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.975 13.959 2.634 1.00 0.00 H new ATOM 1042 N THR A 66 -0.283 11.693 3.712 1.00 0.00 N ATOM 1043 CA THR A 66 1.008 11.203 4.174 1.00 0.00 C ATOM 1044 C THR A 66 1.734 10.444 3.066 1.00 0.00 C ATOM 1045 O THR A 66 1.267 9.401 2.610 1.00 0.00 O ATOM 1046 CB THR A 66 0.820 10.270 5.385 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.080 10.876 6.322 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.150 9.980 6.066 1.00 0.00 C ATOM 0 H THR A 66 -1.076 11.351 4.254 1.00 0.00 H new ATOM 0 HA THR A 66 1.608 12.066 4.463 1.00 0.00 H new ATOM 0 HB THR A 66 0.405 9.326 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.201 10.281 7.091 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.986 9.319 6.917 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.824 9.499 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.593 10.914 6.412 1.00 0.00 H new ATOM 1056 N VAL A 67 2.866 10.975 2.626 1.00 0.00 N ATOM 1057 CA VAL A 67 3.640 10.343 1.569 1.00 0.00 C ATOM 1058 C VAL A 67 4.324 9.087 2.097 1.00 0.00 C ATOM 1059 O VAL A 67 4.922 9.100 3.173 1.00 0.00 O ATOM 1060 CB VAL A 67 4.696 11.309 0.987 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.447 10.661 -0.169 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.040 12.607 0.539 1.00 0.00 C ATOM 0 H VAL A 67 3.268 11.841 2.985 1.00 0.00 H new ATOM 0 HA VAL A 67 2.951 10.072 0.769 1.00 0.00 H new ATOM 0 HB VAL A 67 5.417 11.538 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.185 11.361 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.952 9.762 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.743 10.396 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.798 13.276 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.295 12.393 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.556 13.083 1.392 1.00 0.00 H new ATOM 1072 N LEU A 68 4.222 8.005 1.343 1.00 0.00 N ATOM 1073 CA LEU A 68 4.775 6.729 1.763 1.00 0.00 C ATOM 1074 C LEU A 68 6.094 6.459 1.056 1.00 0.00 C ATOM 1075 O LEU A 68 6.115 6.084 -0.116 1.00 0.00 O ATOM 1076 CB LEU A 68 3.783 5.603 1.473 1.00 0.00 C ATOM 1077 CG LEU A 68 2.411 5.761 2.129 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.476 4.651 1.681 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.540 5.770 3.646 1.00 0.00 C ATOM 0 H LEU A 68 3.760 7.986 0.434 1.00 0.00 H new ATOM 0 HA LEU A 68 4.960 6.770 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.646 5.530 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.220 4.661 1.804 1.00 0.00 H new ATOM 0 HG LEU A 68 1.989 6.716 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.504 4.779 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.357 4.690 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.895 3.686 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.553 5.883 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.984 4.832 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.175 6.601 3.952 1.00 0.00 H new ATOM 1091 N LEU A 69 7.190 6.674 1.768 1.00 0.00 N ATOM 1092 CA LEU A 69 8.513 6.425 1.225 1.00 0.00 C ATOM 1093 C LEU A 69 9.091 5.145 1.825 1.00 0.00 C ATOM 1094 O LEU A 69 8.882 4.859 3.007 1.00 0.00 O ATOM 1095 CB LEU A 69 9.437 7.613 1.510 1.00 0.00 C ATOM 1096 CG LEU A 69 8.992 8.946 0.903 1.00 0.00 C ATOM 1097 CD1 LEU A 69 9.926 10.063 1.342 1.00 0.00 C ATOM 1098 CD2 LEU A 69 8.952 8.851 -0.615 1.00 0.00 C ATOM 0 H LEU A 69 7.187 7.022 2.727 1.00 0.00 H new ATOM 0 HA LEU A 69 8.433 6.301 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.523 7.735 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.433 7.376 1.135 1.00 0.00 H new ATOM 0 HG LEU A 69 7.988 9.173 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.598 11.005 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.911 10.144 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.940 9.841 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.634 9.807 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.945 8.604 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.248 8.074 -0.912 1.00 0.00 H new ATOM 1110 N PRO A 70 9.826 4.357 1.022 1.00 0.00 N ATOM 1111 CA PRO A 70 10.385 3.070 1.450 1.00 0.00 C ATOM 1112 C PRO A 70 11.582 3.209 2.394 1.00 0.00 C ATOM 1113 O PRO A 70 12.430 2.318 2.471 1.00 0.00 O ATOM 1114 CB PRO A 70 10.828 2.402 0.136 1.00 0.00 C ATOM 1115 CG PRO A 70 10.319 3.273 -0.964 1.00 0.00 C ATOM 1116 CD PRO A 70 10.162 4.644 -0.378 1.00 0.00 C ATOM 0 HA PRO A 70 9.649 2.499 2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.913 2.312 0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.421 1.394 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.015 3.286 -1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.368 2.902 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.078 5.229 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.375 5.210 -0.876 1.00 0.00 H new ATOM 1124 N ASN A 71 11.639 4.307 3.130 1.00 0.00 N ATOM 1125 CA ASN A 71 12.718 4.525 4.081 1.00 0.00 C ATOM 1126 C ASN A 71 12.183 4.460 5.510 1.00 0.00 C ATOM 1127 O ASN A 71 12.694 3.702 6.335 1.00 0.00 O ATOM 1128 CB ASN A 71 13.404 5.872 3.816 1.00 0.00 C ATOM 1129 CG ASN A 71 14.698 6.049 4.597 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.867 5.512 5.689 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.627 6.805 4.035 1.00 0.00 N ATOM 0 H ASN A 71 10.952 5.060 3.088 1.00 0.00 H new ATOM 0 HA ASN A 71 13.460 3.737 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.615 5.962 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.718 6.679 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.517 6.957 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.453 7.236 3.127 1.00 0.00 H new ATOM 1138 N ASP A 72 11.122 5.209 5.787 1.00 0.00 N ATOM 1139 CA ASP A 72 10.571 5.272 7.142 1.00 0.00 C ATOM 1140 C ASP A 72 9.335 4.397 7.289 1.00 0.00 C ATOM 1141 O ASP A 72 8.845 3.813 6.321 1.00 0.00 O ATOM 1142 CB ASP A 72 10.213 6.711 7.529 1.00 0.00 C ATOM 1143 CG ASP A 72 11.423 7.610 7.657 1.00 0.00 C ATOM 1144 OD1 ASP A 72 12.184 7.457 8.636 1.00 0.00 O ATOM 1145 OD2 ASP A 72 11.614 8.480 6.782 1.00 0.00 O ATOM 0 H ASP A 72 10.627 5.778 5.100 1.00 0.00 H new ATOM 0 HA ASP A 72 11.348 4.900 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.538 7.125 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.672 6.703 8.475 1.00 0.00 H new ATOM 1150 N LEU A 73 8.833 4.317 8.512 1.00 0.00 N ATOM 1151 CA LEU A 73 7.644 3.535 8.816 1.00 0.00 C ATOM 1152 C LEU A 73 6.496 4.467 9.197 1.00 0.00 C ATOM 1153 O LEU A 73 6.682 5.399 9.982 1.00 0.00 O ATOM 1154 CB LEU A 73 7.943 2.561 9.958 1.00 0.00 C ATOM 1155 CG LEU A 73 6.796 1.634 10.354 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.458 0.684 9.216 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.158 0.857 11.609 1.00 0.00 C ATOM 0 H LEU A 73 9.237 4.791 9.320 1.00 0.00 H new ATOM 0 HA LEU A 73 7.352 2.963 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.799 1.949 9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.239 3.137 10.834 1.00 0.00 H new ATOM 0 HG LEU A 73 5.915 2.241 10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.638 0.032 9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.160 1.258 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.332 0.080 8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.332 0.200 11.881 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.051 0.260 11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.351 1.553 12.425 1.00 0.00 H new ATOM 1169 N TYR A 74 5.317 4.222 8.644 1.00 0.00 N ATOM 1170 CA TYR A 74 4.176 5.097 8.879 1.00 0.00 C ATOM 1171 C TYR A 74 3.000 4.307 9.451 1.00 0.00 C ATOM 1172 O TYR A 74 2.810 3.145 9.108 1.00 0.00 O ATOM 1173 CB TYR A 74 3.772 5.790 7.573 1.00 0.00 C ATOM 1174 CG TYR A 74 4.894 6.588 6.943 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.191 7.871 7.383 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.668 6.050 5.921 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.223 8.598 6.821 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.705 6.770 5.357 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.977 8.042 5.811 1.00 0.00 C ATOM 1180 OH TYR A 74 8.012 8.764 5.252 1.00 0.00 O ATOM 0 H TYR A 74 5.125 3.429 8.032 1.00 0.00 H new ATOM 0 HA TYR A 74 4.461 5.856 9.608 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.428 5.038 6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.929 6.453 7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.605 8.308 8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.456 5.054 5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.437 9.597 7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.298 6.338 4.565 1.00 0.00 H new ATOM 0 HH TYR A 74 8.444 8.229 4.554 1.00 0.00 H new ATOM 1190 N PRO A 75 2.215 4.921 10.351 1.00 0.00 N ATOM 1191 CA PRO A 75 1.047 4.282 10.956 1.00 0.00 C ATOM 1192 C PRO A 75 -0.179 4.316 10.041 1.00 0.00 C ATOM 1193 O PRO A 75 -0.399 5.289 9.315 1.00 0.00 O ATOM 1194 CB PRO A 75 0.784 5.115 12.224 1.00 0.00 C ATOM 1195 CG PRO A 75 1.852 6.165 12.264 1.00 0.00 C ATOM 1196 CD PRO A 75 2.399 6.277 10.868 1.00 0.00 C ATOM 0 HA PRO A 75 1.230 3.226 11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.207 5.569 12.193 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.820 4.489 13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.444 7.119 12.598 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.638 5.891 12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.856 7.015 10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.448 6.575 10.865 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.972 3.252 10.087 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.185 3.158 9.280 1.00 0.00 C ATOM 1206 C LEU A 76 -3.366 3.813 9.990 1.00 0.00 C ATOM 1207 O LEU A 76 -3.440 3.803 11.221 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.506 1.693 8.966 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.582 1.037 7.939 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.911 -0.441 7.794 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.695 1.746 6.596 1.00 0.00 C ATOM 0 H LEU A 76 -0.797 2.439 10.677 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.009 3.690 8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.461 1.120 9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.532 1.631 8.602 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.554 1.126 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.244 -0.892 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.782 -0.939 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.944 -0.553 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.032 1.268 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.723 1.686 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.411 2.792 6.712 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.301 4.396 9.220 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.464 5.102 9.768 1.00 0.00 C ATOM 1225 C PRO A 77 -6.435 4.173 10.490 1.00 0.00 C ATOM 1226 O PRO A 77 -6.811 4.423 11.637 1.00 0.00 O ATOM 1227 CB PRO A 77 -6.143 5.715 8.535 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.137 5.627 7.440 1.00 0.00 C ATOM 1229 CD PRO A 77 -4.291 4.431 7.751 1.00 0.00 C ATOM 0 HA PRO A 77 -5.161 5.836 10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.052 5.172 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.432 6.750 8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.624 5.519 6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.531 6.532 7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.707 3.519 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.281 4.537 7.356 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.836 3.103 9.818 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.795 2.186 10.396 1.00 0.00 C ATOM 1239 C GLY A 78 -8.004 0.953 9.545 1.00 0.00 C ATOM 1240 O GLY A 78 -7.058 0.430 8.958 1.00 0.00 O ATOM 0 H GLY A 78 -6.514 2.854 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.454 1.886 11.387 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.748 2.698 10.528 1.00 0.00 H new ATOM 1244 N GLU A 79 -9.249 0.505 9.471 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.599 -0.715 8.758 1.00 0.00 C ATOM 1246 C GLU A 79 -9.516 -0.519 7.248 1.00 0.00 C ATOM 1247 O GLU A 79 -8.721 -1.164 6.570 1.00 0.00 O ATOM 1248 CB GLU A 79 -11.013 -1.172 9.135 1.00 0.00 C ATOM 1249 CG GLU A 79 -11.286 -1.179 10.632 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.919 0.108 11.129 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.314 1.187 10.965 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -13.033 0.042 11.683 1.00 0.00 O ATOM 0 H GLU A 79 -10.044 0.976 9.903 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.880 -1.481 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.736 -0.518 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.175 -2.176 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.942 -2.016 10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.350 -1.346 11.165 1.00 0.00 H new ATOM 1259 N THR A 80 -10.338 0.370 6.718 1.00 0.00 N ATOM 1260 CA THR A 80 -10.371 0.593 5.286 1.00 0.00 C ATOM 1261 C THR A 80 -9.699 1.915 4.932 1.00 0.00 C ATOM 1262 O THR A 80 -10.040 2.974 5.467 1.00 0.00 O ATOM 1263 CB THR A 80 -11.815 0.537 4.728 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.811 0.736 3.310 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.728 1.557 5.390 1.00 0.00 C ATOM 0 H THR A 80 -10.987 0.945 7.255 1.00 0.00 H new ATOM 0 HA THR A 80 -9.812 -0.215 4.814 1.00 0.00 H new ATOM 0 HB THR A 80 -12.207 -0.454 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.948 -0.123 2.859 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.729 1.479 4.966 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.772 1.364 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.338 2.560 5.218 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.723 1.843 4.043 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.972 3.017 3.639 1.00 0.00 C ATOM 1275 C PHE A 81 -7.556 2.909 2.179 1.00 0.00 C ATOM 1276 O PHE A 81 -7.468 1.812 1.624 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.740 3.205 4.536 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.828 2.007 4.590 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -6.048 0.992 5.508 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.749 1.899 3.725 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.213 -0.106 5.563 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.910 0.802 3.777 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.143 -0.201 4.697 1.00 0.00 C ATOM 0 H PHE A 81 -8.432 0.979 3.586 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.615 3.890 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.172 4.064 4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.073 3.440 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.883 1.061 6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.563 2.680 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.397 -0.890 6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.073 0.729 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.488 -1.059 4.739 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.300 4.052 1.561 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.886 4.090 0.168 1.00 0.00 C ATOM 1295 C ARG A 82 -5.489 4.687 0.038 1.00 0.00 C ATOM 1296 O ARG A 82 -5.129 5.626 0.757 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.895 4.883 -0.669 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.076 6.327 -0.218 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.199 7.015 -0.976 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.493 6.383 -0.733 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.388 6.127 -1.682 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -11.154 6.486 -2.934 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -12.528 5.531 -1.372 1.00 0.00 N ATOM 0 H ARG A 82 -7.372 4.968 2.004 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.855 3.068 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.573 4.876 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.860 4.378 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.290 6.351 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.146 6.875 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.247 8.063 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.981 6.995 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.725 6.122 0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.284 6.961 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.844 6.287 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.720 5.268 -0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.215 5.334 -2.100 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.700 4.117 -0.857 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.347 4.588 -1.115 1.00 0.00 C ATOM 1319 C LEU A 83 -3.218 5.001 -2.576 1.00 0.00 C ATOM 1320 O LEU A 83 -3.396 4.183 -3.472 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.339 3.482 -0.796 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.456 2.875 0.604 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.507 1.696 0.752 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -2.173 3.923 1.671 1.00 0.00 C ATOM 0 H LEU A 83 -4.977 3.316 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.141 5.449 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.454 2.685 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.333 3.884 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.477 2.518 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.602 1.276 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.755 0.934 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.482 2.032 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.262 3.470 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.163 4.312 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.891 4.738 1.580 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.906 6.262 -2.818 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.847 6.772 -4.180 1.00 0.00 C ATOM 1338 C TYR A 84 -1.472 6.555 -4.791 1.00 0.00 C ATOM 1339 O TYR A 84 -0.489 7.186 -4.394 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.245 8.248 -4.223 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.741 8.451 -4.115 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.373 8.476 -2.878 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.524 8.594 -5.254 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.741 8.642 -2.780 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.893 8.755 -5.164 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.497 8.778 -3.925 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.863 8.925 -3.834 1.00 0.00 O ATOM 0 H TYR A 84 -2.691 6.949 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.564 6.212 -4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.751 8.778 -3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.888 8.690 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.786 8.364 -1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.054 8.579 -6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.216 8.665 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.487 8.862 -6.060 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.303 8.247 -4.388 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.419 5.635 -5.742 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.184 5.277 -6.418 1.00 0.00 C ATOM 1359 C TYR A 85 -0.083 5.961 -7.775 1.00 0.00 C ATOM 1360 O TYR A 85 -0.777 5.596 -8.724 1.00 0.00 O ATOM 1361 CB TYR A 85 -0.106 3.754 -6.587 1.00 0.00 C ATOM 1362 CG TYR A 85 1.030 3.283 -7.473 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.346 3.312 -7.027 1.00 0.00 C ATOM 1364 CD2 TYR A 85 0.784 2.804 -8.757 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.382 2.883 -7.836 1.00 0.00 C ATOM 1366 CE2 TYR A 85 1.815 2.373 -9.567 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.111 2.414 -9.102 1.00 0.00 C ATOM 1368 OH TYR A 85 4.139 1.988 -9.909 1.00 0.00 O ATOM 0 H TYR A 85 -2.234 5.115 -6.067 1.00 0.00 H new ATOM 0 HA TYR A 85 0.652 5.616 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.001 3.296 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.048 3.397 -7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.563 3.675 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.231 2.769 -9.125 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.400 2.916 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.607 2.005 -10.561 1.00 0.00 H new ATOM 0 HH TYR A 85 4.079 2.436 -10.779 1.00 0.00 H new ATOM 1378 N THR A 86 0.767 6.964 -7.849 1.00 0.00 N ATOM 1379 CA THR A 86 1.081 7.615 -9.107 1.00 0.00 C ATOM 1380 C THR A 86 2.330 6.977 -9.708 1.00 0.00 C ATOM 1381 O THR A 86 3.436 7.167 -9.198 1.00 0.00 O ATOM 1382 CB THR A 86 1.320 9.125 -8.904 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.249 9.694 -8.134 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.425 9.844 -10.242 1.00 0.00 C ATOM 0 H THR A 86 1.259 7.351 -7.043 1.00 0.00 H new ATOM 0 HA THR A 86 0.235 7.490 -9.783 1.00 0.00 H new ATOM 0 HB THR A 86 2.260 9.250 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.410 10.653 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.593 10.907 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.257 9.432 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.499 9.708 -10.801 1.00 0.00 H new ATOM 1392 N SER A 87 2.156 6.210 -10.772 1.00 0.00 N ATOM 1393 CA SER A 87 3.269 5.487 -11.369 1.00 0.00 C ATOM 1394 C SER A 87 4.103 6.408 -12.245 1.00 0.00 C ATOM 1395 O SER A 87 3.571 7.125 -13.090 1.00 0.00 O ATOM 1396 CB SER A 87 2.765 4.301 -12.192 1.00 0.00 C ATOM 1397 OG SER A 87 3.838 3.470 -12.608 1.00 0.00 O ATOM 0 H SER A 87 1.260 6.072 -11.239 1.00 0.00 H new ATOM 0 HA SER A 87 3.896 5.111 -10.560 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.059 3.718 -11.600 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.224 4.665 -13.066 1.00 0.00 H new ATOM 0 HG SER A 87 3.487 2.719 -13.131 1.00 0.00 H new ATOM 1403 N ALA A 88 5.406 6.393 -12.024 1.00 0.00 N ATOM 1404 CA ALA A 88 6.332 7.148 -12.851 1.00 0.00 C ATOM 1405 C ALA A 88 7.328 6.195 -13.493 1.00 0.00 C ATOM 1406 O ALA A 88 8.347 6.608 -14.045 1.00 0.00 O ATOM 1407 CB ALA A 88 7.053 8.202 -12.021 1.00 0.00 C ATOM 0 H ALA A 88 5.849 5.863 -11.274 1.00 0.00 H new ATOM 0 HA ALA A 88 5.776 7.662 -13.635 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.742 8.757 -12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.323 8.888 -11.591 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.610 7.716 -11.220 1.00 0.00 H new ATOM 1413 N SER A 89 7.015 4.910 -13.413 1.00 0.00 N ATOM 1414 CA SER A 89 7.889 3.877 -13.928 1.00 0.00 C ATOM 1415 C SER A 89 7.600 3.638 -15.402 1.00 0.00 C ATOM 1416 O SER A 89 6.449 3.705 -15.841 1.00 0.00 O ATOM 1417 CB SER A 89 7.705 2.587 -13.131 1.00 0.00 C ATOM 1418 OG SER A 89 8.790 1.700 -13.334 1.00 0.00 O ATOM 0 H SER A 89 6.154 4.560 -12.992 1.00 0.00 H new ATOM 0 HA SER A 89 8.924 4.203 -13.824 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.617 2.821 -12.070 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.775 2.102 -13.428 1.00 0.00 H new ATOM 0 HG SER A 89 9.505 1.906 -12.696 1.00 0.00 H new ATOM 1424 N THR A 90 8.646 3.360 -16.161 1.00 0.00 N ATOM 1425 CA THR A 90 8.524 3.178 -17.595 1.00 0.00 C ATOM 1426 C THR A 90 8.241 1.725 -17.949 1.00 0.00 C ATOM 1427 O THR A 90 7.857 1.411 -19.078 1.00 0.00 O ATOM 1428 CB THR A 90 9.806 3.636 -18.306 1.00 0.00 C ATOM 1429 OG1 THR A 90 10.956 3.039 -17.683 1.00 0.00 O ATOM 1430 CG2 THR A 90 9.929 5.150 -18.258 1.00 0.00 C ATOM 0 H THR A 90 9.596 3.255 -15.804 1.00 0.00 H new ATOM 0 HA THR A 90 7.684 3.786 -17.931 1.00 0.00 H new ATOM 0 HB THR A 90 9.754 3.319 -19.347 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.768 3.335 -18.144 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.843 5.457 -18.766 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.069 5.601 -18.754 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.963 5.480 -17.220 1.00 0.00 H new ATOM 1438 N ASP A 91 8.430 0.840 -16.982 1.00 0.00 N ATOM 1439 CA ASP A 91 8.270 -0.584 -17.215 1.00 0.00 C ATOM 1440 C ASP A 91 7.755 -1.279 -15.961 1.00 0.00 C ATOM 1441 O ASP A 91 7.179 -0.637 -15.084 1.00 0.00 O ATOM 1442 CB ASP A 91 9.596 -1.204 -17.682 1.00 0.00 C ATOM 1443 CG ASP A 91 10.675 -1.236 -16.612 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.163 -0.156 -16.214 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.065 -2.350 -16.195 1.00 0.00 O ATOM 0 H ASP A 91 8.695 1.085 -16.028 1.00 0.00 H new ATOM 0 HA ASP A 91 7.532 -0.725 -18.005 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.408 -2.222 -18.025 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.966 -0.642 -18.540 1.00 0.00 H new ATOM 1450 N GLN A 92 7.952 -2.589 -15.904 1.00 0.00 N ATOM 1451 CA GLN A 92 7.450 -3.415 -14.814 1.00 0.00 C ATOM 1452 C GLN A 92 7.999 -2.977 -13.461 1.00 0.00 C ATOM 1453 O GLN A 92 9.199 -3.089 -13.197 1.00 0.00 O ATOM 1454 CB GLN A 92 7.831 -4.868 -15.071 1.00 0.00 C ATOM 1455 CG GLN A 92 7.235 -5.845 -14.078 1.00 0.00 C ATOM 1456 CD GLN A 92 7.610 -7.271 -14.402 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.854 -7.607 -15.561 1.00 0.00 O ATOM 1458 NE2 GLN A 92 7.654 -8.121 -13.391 1.00 0.00 N ATOM 0 H GLN A 92 8.466 -3.110 -16.614 1.00 0.00 H new ATOM 0 HA GLN A 92 6.366 -3.302 -14.781 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.510 -5.145 -16.075 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.917 -4.958 -15.047 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.579 -5.598 -13.074 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.150 -5.746 -14.077 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.445 -7.800 -12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.897 -9.098 -13.556 1.00 0.00 H new ATOM 1467 N GLN A 93 7.122 -2.487 -12.600 1.00 0.00 N ATOM 1468 CA GLN A 93 7.517 -2.157 -11.245 1.00 0.00 C ATOM 1469 C GLN A 93 6.970 -3.184 -10.269 1.00 0.00 C ATOM 1470 O GLN A 93 5.762 -3.435 -10.214 1.00 0.00 O ATOM 1471 CB GLN A 93 7.055 -0.755 -10.836 1.00 0.00 C ATOM 1472 CG GLN A 93 7.421 -0.411 -9.395 1.00 0.00 C ATOM 1473 CD GLN A 93 7.161 1.038 -9.030 1.00 0.00 C ATOM 1474 OE1 GLN A 93 6.873 1.358 -7.877 1.00 0.00 O ATOM 1475 NE2 GLN A 93 7.295 1.925 -9.999 1.00 0.00 N ATOM 0 H GLN A 93 6.141 -2.311 -12.815 1.00 0.00 H new ATOM 0 HA GLN A 93 8.607 -2.170 -11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.502 -0.020 -11.505 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.974 -0.683 -10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.853 -1.054 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.476 -0.633 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.535 1.618 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.159 2.917 -9.805 1.00 0.00 H new ATOM 1484 N THR A 94 7.870 -3.790 -9.518 1.00 0.00 N ATOM 1485 CA THR A 94 7.496 -4.706 -8.463 1.00 0.00 C ATOM 1486 C THR A 94 7.290 -3.924 -7.172 1.00 0.00 C ATOM 1487 O THR A 94 8.196 -3.236 -6.708 1.00 0.00 O ATOM 1488 CB THR A 94 8.589 -5.770 -8.249 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.984 -6.325 -9.510 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.093 -6.878 -7.336 1.00 0.00 C ATOM 0 H THR A 94 8.876 -3.660 -9.623 1.00 0.00 H new ATOM 0 HA THR A 94 6.573 -5.211 -8.748 1.00 0.00 H new ATOM 0 HB THR A 94 9.447 -5.290 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.680 -7.000 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.882 -7.618 -7.200 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.819 -6.457 -6.369 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.221 -7.356 -7.784 1.00 0.00 H new ATOM 1498 N VAL A 95 6.094 -3.997 -6.622 1.00 0.00 N ATOM 1499 CA VAL A 95 5.774 -3.272 -5.406 1.00 0.00 C ATOM 1500 C VAL A 95 5.543 -4.241 -4.253 1.00 0.00 C ATOM 1501 O VAL A 95 4.527 -4.938 -4.210 1.00 0.00 O ATOM 1502 CB VAL A 95 4.525 -2.383 -5.590 1.00 0.00 C ATOM 1503 CG1 VAL A 95 4.226 -1.598 -4.324 1.00 0.00 C ATOM 1504 CG2 VAL A 95 4.708 -1.444 -6.774 1.00 0.00 C ATOM 0 H VAL A 95 5.325 -4.552 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 95 6.624 -2.629 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 95 3.673 -3.032 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.342 -0.980 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.045 -2.290 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.076 -0.961 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.818 -0.825 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.574 -0.805 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.863 -2.028 -7.681 1.00 0.00 H new ATOM 1514 N ASP A 96 6.500 -4.300 -3.338 1.00 0.00 N ATOM 1515 CA ASP A 96 6.374 -5.149 -2.165 1.00 0.00 C ATOM 1516 C ASP A 96 5.792 -4.357 -1.005 1.00 0.00 C ATOM 1517 O ASP A 96 6.431 -3.449 -0.467 1.00 0.00 O ATOM 1518 CB ASP A 96 7.725 -5.753 -1.771 1.00 0.00 C ATOM 1519 CG ASP A 96 8.149 -6.875 -2.697 1.00 0.00 C ATOM 1520 OD1 ASP A 96 7.725 -8.033 -2.464 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.905 -6.613 -3.655 1.00 0.00 O ATOM 0 H ASP A 96 7.370 -3.770 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 96 5.698 -5.968 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.485 -4.972 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.667 -6.131 -0.750 1.00 0.00 H new ATOM 1526 N VAL A 97 4.572 -4.698 -0.640 1.00 0.00 N ATOM 1527 CA VAL A 97 3.867 -4.018 0.430 1.00 0.00 C ATOM 1528 C VAL A 97 3.931 -4.842 1.709 1.00 0.00 C ATOM 1529 O VAL A 97 3.727 -6.060 1.687 1.00 0.00 O ATOM 1530 CB VAL A 97 2.388 -3.784 0.058 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.713 -2.878 1.074 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.267 -3.210 -1.343 1.00 0.00 C ATOM 0 H VAL A 97 4.042 -5.453 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 97 4.351 -3.054 0.586 1.00 0.00 H new ATOM 0 HB VAL A 97 1.879 -4.748 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.671 -2.727 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.758 -3.340 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.225 -1.916 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.215 -3.054 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.796 -2.258 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.703 -3.906 -2.060 1.00 0.00 H new ATOM 1542 N TYR A 98 4.227 -4.180 2.813 1.00 0.00 N ATOM 1543 CA TYR A 98 4.304 -4.839 4.101 1.00 0.00 C ATOM 1544 C TYR A 98 3.364 -4.168 5.091 1.00 0.00 C ATOM 1545 O TYR A 98 3.494 -2.979 5.369 1.00 0.00 O ATOM 1546 CB TYR A 98 5.734 -4.784 4.648 1.00 0.00 C ATOM 1547 CG TYR A 98 6.784 -5.359 3.722 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.002 -6.727 3.653 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.564 -4.528 2.925 1.00 0.00 C ATOM 1550 CE1 TYR A 98 7.968 -7.251 2.818 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.532 -5.047 2.087 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.729 -6.409 2.037 1.00 0.00 C ATOM 1553 OH TYR A 98 9.696 -6.934 1.210 1.00 0.00 O ATOM 0 H TYR A 98 4.419 -3.179 2.841 1.00 0.00 H new ATOM 0 HA TYR A 98 4.011 -5.880 3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.987 -3.746 4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.768 -5.323 5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.407 -7.392 4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.410 -3.460 2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.127 -8.318 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.131 -4.389 1.475 1.00 0.00 H new ATOM 0 HH TYR A 98 10.142 -6.208 0.726 1.00 0.00 H new ATOM 1563 N PHE A 99 2.415 -4.923 5.609 1.00 0.00 N ATOM 1564 CA PHE A 99 1.545 -4.422 6.659 1.00 0.00 C ATOM 1565 C PHE A 99 1.892 -5.118 7.961 1.00 0.00 C ATOM 1566 O PHE A 99 1.687 -6.320 8.097 1.00 0.00 O ATOM 1567 CB PHE A 99 0.073 -4.663 6.319 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.406 -3.930 5.098 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.526 -2.550 5.105 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.749 -4.624 3.949 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.978 -1.875 3.988 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -1.204 -3.956 2.830 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.319 -2.579 2.849 1.00 0.00 C ATOM 0 H PHE A 99 2.226 -5.883 5.322 1.00 0.00 H new ATOM 0 HA PHE A 99 1.695 -3.347 6.756 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.084 -5.732 6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.538 -4.365 7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.263 -1.996 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.659 -5.700 3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.065 -0.799 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.470 -4.509 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.675 -2.054 1.975 1.00 0.00 H new ATOM 1583 N GLN A 100 2.432 -4.369 8.906 1.00 0.00 N ATOM 1584 CA GLN A 100 2.906 -4.956 10.147 1.00 0.00 C ATOM 1585 C GLN A 100 2.188 -4.347 11.340 1.00 0.00 C ATOM 1586 O GLN A 100 1.583 -3.280 11.235 1.00 0.00 O ATOM 1587 CB GLN A 100 4.420 -4.767 10.281 1.00 0.00 C ATOM 1588 CG GLN A 100 4.855 -3.316 10.420 1.00 0.00 C ATOM 1589 CD GLN A 100 6.361 -3.136 10.351 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.921 -2.263 11.010 1.00 0.00 O ATOM 1591 NE2 GLN A 100 7.028 -3.941 9.537 1.00 0.00 N ATOM 0 H GLN A 100 2.553 -3.358 8.839 1.00 0.00 H new ATOM 0 HA GLN A 100 2.688 -6.024 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.769 -5.325 11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.908 -5.199 9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.388 -2.726 9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.491 -2.923 11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.530 -4.655 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.039 -3.847 9.442 1.00 0.00 H new ATOM 1600 N ASP A 101 2.249 -5.040 12.463 1.00 0.00 N ATOM 1601 CA ASP A 101 1.622 -4.577 13.689 1.00 0.00 C ATOM 1602 C ASP A 101 2.508 -4.910 14.893 1.00 0.00 C ATOM 1603 O ASP A 101 3.391 -5.771 14.806 1.00 0.00 O ATOM 1604 CB ASP A 101 0.231 -5.211 13.833 1.00 0.00 C ATOM 1605 CG ASP A 101 0.127 -6.119 15.035 1.00 0.00 C ATOM 1606 OD1 ASP A 101 0.453 -7.318 14.912 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -0.244 -5.625 16.117 1.00 0.00 O ATOM 0 H ASP A 101 2.731 -5.934 12.551 1.00 0.00 H new ATOM 0 HA ASP A 101 1.503 -3.494 13.648 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.517 -4.422 13.913 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.000 -5.779 12.932 1.00 0.00 H new ATOM 1612 N SER A 102 2.252 -4.245 16.014 1.00 0.00 N ATOM 1613 CA SER A 102 3.096 -4.361 17.200 1.00 0.00 C ATOM 1614 C SER A 102 2.933 -5.730 17.881 1.00 0.00 C ATOM 1615 O SER A 102 3.788 -6.146 18.665 1.00 0.00 O ATOM 1616 CB SER A 102 2.759 -3.235 18.183 1.00 0.00 C ATOM 1617 OG SER A 102 3.758 -3.092 19.179 1.00 0.00 O ATOM 0 H SER A 102 1.459 -3.614 16.127 1.00 0.00 H new ATOM 0 HA SER A 102 4.136 -4.274 16.887 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.651 -2.297 17.639 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.799 -3.441 18.657 1.00 0.00 H new ATOM 0 HG SER A 102 3.511 -2.364 19.787 1.00 0.00 H new ATOM 1623 N PHE A 103 1.843 -6.426 17.582 1.00 0.00 N ATOM 1624 CA PHE A 103 1.602 -7.749 18.144 1.00 0.00 C ATOM 1625 C PHE A 103 2.418 -8.801 17.393 1.00 0.00 C ATOM 1626 O PHE A 103 2.739 -9.860 17.934 1.00 0.00 O ATOM 1627 CB PHE A 103 0.103 -8.075 18.082 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.264 -9.435 18.606 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -0.311 -9.679 19.971 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -0.573 -10.467 17.733 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -0.658 -10.926 20.453 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -0.919 -11.717 18.210 1.00 0.00 C ATOM 1633 CZ PHE A 103 -0.961 -11.947 19.571 1.00 0.00 C ATOM 0 H PHE A 103 1.111 -6.096 16.953 1.00 0.00 H new ATOM 0 HA PHE A 103 1.917 -7.757 19.187 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.443 -7.322 18.650 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.230 -7.997 17.047 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.074 -8.885 20.664 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.543 -10.292 16.668 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.693 -11.103 21.518 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.156 -12.513 17.519 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.230 -12.923 19.946 1.00 0.00 H new ATOM 1643 N GLY A 104 2.766 -8.497 16.149 1.00 0.00 N ATOM 1644 CA GLY A 104 3.621 -9.384 15.390 1.00 0.00 C ATOM 1645 C GLY A 104 2.988 -9.872 14.102 1.00 0.00 C ATOM 1646 O GLY A 104 3.468 -10.833 13.497 1.00 0.00 O ATOM 0 H GLY A 104 2.472 -7.655 15.655 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.552 -8.868 15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.880 -10.244 16.008 1.00 0.00 H new ATOM 1650 N GLN A 105 1.901 -9.237 13.687 1.00 0.00 N ATOM 1651 CA GLN A 105 1.282 -9.551 12.405 1.00 0.00 C ATOM 1652 C GLN A 105 2.038 -8.861 11.277 1.00 0.00 C ATOM 1653 O GLN A 105 2.407 -7.693 11.390 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.195 -9.123 12.405 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.862 -9.140 11.034 1.00 0.00 C ATOM 1656 CD GLN A 105 -0.896 -10.514 10.386 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -0.846 -10.634 9.165 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.994 -11.560 11.192 1.00 0.00 N ATOM 0 H GLN A 105 1.430 -8.503 14.217 1.00 0.00 H new ATOM 0 HA GLN A 105 1.327 -10.629 12.247 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.750 -9.782 13.073 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.268 -8.117 12.817 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.882 -8.769 11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.334 -8.451 10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.033 -11.424 12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.030 -12.502 10.803 1.00 0.00 H new ATOM 1667 N LEU A 106 2.297 -9.600 10.208 1.00 0.00 N ATOM 1668 CA LEU A 106 2.952 -9.047 9.033 1.00 0.00 C ATOM 1669 C LEU A 106 2.348 -9.639 7.771 1.00 0.00 C ATOM 1670 O LEU A 106 2.448 -10.843 7.522 1.00 0.00 O ATOM 1671 CB LEU A 106 4.458 -9.317 9.076 1.00 0.00 C ATOM 1672 CG LEU A 106 5.254 -8.814 7.864 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.141 -7.303 7.731 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.715 -9.229 7.976 1.00 0.00 C ATOM 0 H LEU A 106 2.062 -10.589 10.131 1.00 0.00 H new ATOM 0 HA LEU A 106 2.797 -7.968 9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.867 -8.855 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.614 -10.392 9.171 1.00 0.00 H new ATOM 0 HG LEU A 106 4.831 -9.268 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.713 -6.970 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.095 -7.026 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.534 -6.828 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.264 -8.864 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.145 -8.804 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.782 -10.316 8.017 1.00 0.00 H new ATOM 1686 N GLN A 107 1.737 -8.784 6.975 1.00 0.00 N ATOM 1687 CA GLN A 107 1.096 -9.204 5.743 1.00 0.00 C ATOM 1688 C GLN A 107 1.908 -8.712 4.555 1.00 0.00 C ATOM 1689 O GLN A 107 2.059 -7.505 4.349 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.332 -8.649 5.675 1.00 0.00 C ATOM 1691 CG GLN A 107 -1.160 -9.195 4.523 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.352 -10.693 4.610 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -0.563 -11.467 4.072 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.394 -11.116 5.309 1.00 0.00 N ATOM 0 H GLN A 107 1.670 -7.783 7.162 1.00 0.00 H new ATOM 0 HA GLN A 107 1.046 -10.293 5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.842 -8.873 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.284 -7.563 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.134 -8.706 4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.673 -8.948 3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.026 -10.442 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.564 -12.116 5.416 1.00 0.00 H new ATOM 1703 N GLN A 108 2.444 -9.650 3.792 1.00 0.00 N ATOM 1704 CA GLN A 108 3.323 -9.329 2.683 1.00 0.00 C ATOM 1705 C GLN A 108 2.575 -9.486 1.365 1.00 0.00 C ATOM 1706 O GLN A 108 2.232 -10.599 0.964 1.00 0.00 O ATOM 1707 CB GLN A 108 4.548 -10.248 2.729 1.00 0.00 C ATOM 1708 CG GLN A 108 5.750 -9.767 1.928 1.00 0.00 C ATOM 1709 CD GLN A 108 5.616 -9.973 0.433 1.00 0.00 C ATOM 1710 OE1 GLN A 108 5.945 -11.038 -0.089 1.00 0.00 O ATOM 1711 NE2 GLN A 108 5.171 -8.947 -0.270 1.00 0.00 N ATOM 0 H GLN A 108 2.283 -10.649 3.923 1.00 0.00 H new ATOM 0 HA GLN A 108 3.656 -8.294 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.851 -10.372 3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.258 -11.233 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.905 -8.706 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.640 -10.290 2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.909 -8.081 0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.090 -9.020 -1.284 1.00 0.00 H new ATOM 1720 N LEU A 109 2.318 -8.368 0.702 1.00 0.00 N ATOM 1721 CA LEU A 109 1.602 -8.374 -0.565 1.00 0.00 C ATOM 1722 C LEU A 109 2.484 -7.795 -1.663 1.00 0.00 C ATOM 1723 O LEU A 109 2.999 -6.690 -1.530 1.00 0.00 O ATOM 1724 CB LEU A 109 0.312 -7.558 -0.443 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.605 -7.968 0.712 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.857 -7.107 0.739 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.968 -9.441 0.614 1.00 0.00 C ATOM 0 H LEU A 109 2.596 -7.441 1.023 1.00 0.00 H new ATOM 0 HA LEU A 109 1.346 -9.402 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.575 -6.507 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.244 -7.643 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.065 -7.811 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.494 -7.416 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.577 -6.061 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.400 -7.225 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.620 -9.711 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.484 -9.627 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.060 -10.043 0.655 1.00 0.00 H new ATOM 1739 N THR A 110 2.672 -8.543 -2.736 1.00 0.00 N ATOM 1740 CA THR A 110 3.514 -8.089 -3.832 1.00 0.00 C ATOM 1741 C THR A 110 2.678 -7.831 -5.083 1.00 0.00 C ATOM 1742 O THR A 110 2.013 -8.732 -5.599 1.00 0.00 O ATOM 1743 CB THR A 110 4.626 -9.114 -4.142 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.406 -9.353 -2.960 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.540 -8.620 -5.256 1.00 0.00 C ATOM 0 H THR A 110 2.256 -9.464 -2.873 1.00 0.00 H new ATOM 0 HA THR A 110 3.984 -7.155 -3.523 1.00 0.00 H new ATOM 0 HB THR A 110 4.151 -10.038 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.120 -8.685 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.312 -9.364 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.955 -8.459 -6.162 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.007 -7.683 -4.954 1.00 0.00 H new ATOM 1753 N PHE A 111 2.703 -6.592 -5.554 1.00 0.00 N ATOM 1754 CA PHE A 111 1.944 -6.209 -6.736 1.00 0.00 C ATOM 1755 C PHE A 111 2.885 -5.905 -7.894 1.00 0.00 C ATOM 1756 O PHE A 111 3.952 -5.321 -7.701 1.00 0.00 O ATOM 1757 CB PHE A 111 1.068 -4.987 -6.443 1.00 0.00 C ATOM 1758 CG PHE A 111 0.087 -5.208 -5.330 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -1.036 -5.996 -5.524 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.291 -4.632 -4.087 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.938 -6.204 -4.498 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.606 -4.837 -3.058 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.722 -5.623 -3.263 1.00 0.00 C ATOM 0 H PHE A 111 3.242 -5.834 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 111 1.299 -7.043 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.709 -4.143 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.524 -4.714 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.208 -6.453 -6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.162 -4.015 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.810 -6.820 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.435 -4.383 -2.093 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.425 -5.784 -2.459 1.00 0.00 H new ATOM 1773 N SER A 112 2.500 -6.320 -9.089 1.00 0.00 N ATOM 1774 CA SER A 112 3.295 -6.062 -10.274 1.00 0.00 C ATOM 1775 C SER A 112 2.561 -5.115 -11.214 1.00 0.00 C ATOM 1776 O SER A 112 1.559 -5.480 -11.831 1.00 0.00 O ATOM 1777 CB SER A 112 3.621 -7.378 -10.988 1.00 0.00 C ATOM 1778 OG SER A 112 4.436 -7.170 -12.133 1.00 0.00 O ATOM 0 H SER A 112 1.639 -6.838 -9.263 1.00 0.00 H new ATOM 0 HA SER A 112 4.228 -5.588 -9.970 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.130 -8.050 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.695 -7.869 -11.286 1.00 0.00 H new ATOM 0 HG SER A 112 5.110 -7.879 -12.188 1.00 0.00 H new ATOM 1784 N PHE A 113 3.057 -3.894 -11.305 1.00 0.00 N ATOM 1785 CA PHE A 113 2.522 -2.933 -12.250 1.00 0.00 C ATOM 1786 C PHE A 113 3.289 -3.046 -13.554 1.00 0.00 C ATOM 1787 O PHE A 113 4.520 -3.093 -13.545 1.00 0.00 O ATOM 1788 CB PHE A 113 2.604 -1.510 -11.690 1.00 0.00 C ATOM 1789 CG PHE A 113 1.648 -1.258 -10.559 1.00 0.00 C ATOM 1790 CD1 PHE A 113 2.025 -1.495 -9.247 1.00 0.00 C ATOM 1791 CD2 PHE A 113 0.369 -0.789 -10.812 1.00 0.00 C ATOM 1792 CE1 PHE A 113 1.143 -1.268 -8.207 1.00 0.00 C ATOM 1793 CE2 PHE A 113 -0.517 -0.560 -9.778 1.00 0.00 C ATOM 1794 CZ PHE A 113 -0.131 -0.800 -8.473 1.00 0.00 C ATOM 0 H PHE A 113 3.829 -3.546 -10.736 1.00 0.00 H new ATOM 0 HA PHE A 113 1.469 -3.151 -12.429 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.621 -1.321 -11.345 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.402 -0.800 -12.492 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.019 -1.861 -9.035 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.061 -0.600 -11.830 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.448 -1.456 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.511 -0.194 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.823 -0.623 -7.663 1.00 0.00 H new ATOM 1804 N ASN A 114 2.554 -3.108 -14.662 1.00 0.00 N ATOM 1805 CA ASN A 114 3.134 -3.403 -15.972 1.00 0.00 C ATOM 1806 C ASN A 114 3.712 -4.809 -15.952 1.00 0.00 C ATOM 1807 O ASN A 114 4.909 -5.003 -16.136 1.00 0.00 O ATOM 1808 CB ASN A 114 4.215 -2.385 -16.364 1.00 0.00 C ATOM 1809 CG ASN A 114 3.659 -1.001 -16.639 1.00 0.00 C ATOM 1810 OD1 ASN A 114 2.592 -0.633 -16.144 1.00 0.00 O ATOM 1811 ND2 ASN A 114 4.382 -0.223 -17.428 1.00 0.00 N ATOM 0 H ASN A 114 1.545 -2.956 -14.679 1.00 0.00 H new ATOM 0 HA ASN A 114 2.346 -3.334 -16.721 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.952 -2.321 -15.564 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.738 -2.743 -17.251 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.061 0.720 -17.647 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.260 -0.566 -17.817 1.00 0.00 H new ATOM 1818 N ASN A 115 2.836 -5.784 -15.710 1.00 0.00 N ATOM 1819 CA ASN A 115 3.241 -7.175 -15.489 1.00 0.00 C ATOM 1820 C ASN A 115 4.074 -7.720 -16.652 1.00 0.00 C ATOM 1821 O ASN A 115 4.004 -7.209 -17.773 1.00 0.00 O ATOM 1822 CB ASN A 115 2.008 -8.061 -15.268 1.00 0.00 C ATOM 1823 CG ASN A 115 2.359 -9.426 -14.691 1.00 0.00 C ATOM 1824 OD1 ASN A 115 1.743 -10.438 -15.031 1.00 0.00 O ATOM 1825 ND2 ASN A 115 3.332 -9.461 -13.789 1.00 0.00 N ATOM 0 H ASN A 115 1.828 -5.634 -15.661 1.00 0.00 H new ATOM 0 HA ASN A 115 3.865 -7.193 -14.596 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.317 -7.553 -14.595 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.488 -8.195 -16.216 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.592 -10.346 -13.353 1.00 0.00 H new ATOM 0 HD22 ASN A 115 3.820 -8.603 -13.532 1.00 0.00 H new ATOM 1832 N ASP A 116 4.852 -8.767 -16.361 1.00 0.00 N ATOM 1833 CA ASP A 116 5.773 -9.384 -17.320 1.00 0.00 C ATOM 1834 C ASP A 116 5.104 -9.654 -18.656 1.00 0.00 C ATOM 1835 O ASP A 116 5.626 -9.299 -19.714 1.00 0.00 O ATOM 1836 CB ASP A 116 6.304 -10.713 -16.763 1.00 0.00 C ATOM 1837 CG ASP A 116 6.892 -10.585 -15.372 1.00 0.00 C ATOM 1838 OD1 ASP A 116 6.109 -10.492 -14.399 1.00 0.00 O ATOM 1839 OD2 ASP A 116 8.133 -10.605 -15.238 1.00 0.00 O ATOM 0 H ASP A 116 4.860 -9.214 -15.444 1.00 0.00 H new ATOM 0 HA ASP A 116 6.591 -8.680 -17.475 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.493 -11.441 -16.742 1.00 0.00 H new ATOM 0 HB3 ASP A 116 7.066 -11.104 -17.438 1.00 0.00 H new ATOM 1844 N SER A 117 3.947 -10.276 -18.595 1.00 0.00 N ATOM 1845 CA SER A 117 3.238 -10.689 -19.791 1.00 0.00 C ATOM 1846 C SER A 117 1.732 -10.544 -19.580 1.00 0.00 C ATOM 1847 O SER A 117 1.288 -10.010 -18.562 1.00 0.00 O ATOM 1848 CB SER A 117 3.611 -12.138 -20.137 1.00 0.00 C ATOM 1849 OG SER A 117 3.124 -12.524 -21.416 1.00 0.00 O ATOM 0 H SER A 117 3.472 -10.509 -17.723 1.00 0.00 H new ATOM 0 HA SER A 117 3.526 -10.050 -20.626 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.695 -12.248 -20.114 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.206 -12.807 -19.378 1.00 0.00 H new ATOM 0 HG SER A 117 3.384 -13.451 -21.599 1.00 0.00 H new ATOM 1855 N SER A 118 0.961 -11.021 -20.548 1.00 0.00 N ATOM 1856 CA SER A 118 -0.491 -10.906 -20.520 1.00 0.00 C ATOM 1857 C SER A 118 -1.086 -11.583 -19.286 1.00 0.00 C ATOM 1858 O SER A 118 -1.913 -10.997 -18.583 1.00 0.00 O ATOM 1859 CB SER A 118 -1.071 -11.535 -21.785 1.00 0.00 C ATOM 1860 OG SER A 118 -0.379 -11.082 -22.936 1.00 0.00 O ATOM 0 H SER A 118 1.324 -11.498 -21.374 1.00 0.00 H new ATOM 0 HA SER A 118 -0.749 -9.848 -20.475 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.005 -12.621 -21.720 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.128 -11.284 -21.869 1.00 0.00 H new ATOM 0 HG SER A 118 -0.765 -11.498 -23.735 1.00 0.00 H new ATOM 1866 N LYS A 119 -0.654 -12.809 -19.019 1.00 0.00 N ATOM 1867 CA LYS A 119 -1.207 -13.586 -17.920 1.00 0.00 C ATOM 1868 C LYS A 119 -0.245 -14.695 -17.510 1.00 0.00 C ATOM 1869 O LYS A 119 -0.222 -15.759 -18.124 1.00 0.00 O ATOM 1870 CB LYS A 119 -2.555 -14.188 -18.337 1.00 0.00 C ATOM 1871 CG LYS A 119 -3.262 -14.980 -17.244 1.00 0.00 C ATOM 1872 CD LYS A 119 -4.539 -15.616 -17.775 1.00 0.00 C ATOM 1873 CE LYS A 119 -5.300 -16.373 -16.693 1.00 0.00 C ATOM 1874 NZ LYS A 119 -4.503 -17.488 -16.116 1.00 0.00 N ATOM 0 H LYS A 119 0.077 -13.285 -19.548 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.356 -12.926 -17.066 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.211 -13.382 -18.666 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.396 -14.841 -19.195 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.597 -15.754 -16.862 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.499 -14.322 -16.408 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.181 -14.841 -18.194 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.292 -16.299 -18.588 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.581 -15.682 -15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.225 -16.770 -17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.105 -18.055 -15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.142 -18.090 -16.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.704 -17.100 -15.575 1.00 0.00 H new ATOM 1888 N GLU A 120 0.573 -14.435 -16.498 1.00 0.00 N ATOM 1889 CA GLU A 120 1.457 -15.461 -15.955 1.00 0.00 C ATOM 1890 C GLU A 120 1.966 -15.067 -14.572 1.00 0.00 C ATOM 1891 O GLU A 120 3.076 -15.420 -14.176 1.00 0.00 O ATOM 1892 CB GLU A 120 2.628 -15.741 -16.904 1.00 0.00 C ATOM 1893 CG GLU A 120 3.470 -14.525 -17.249 1.00 0.00 C ATOM 1894 CD GLU A 120 4.705 -14.902 -18.034 1.00 0.00 C ATOM 1895 OE1 GLU A 120 4.620 -15.013 -19.271 1.00 0.00 O ATOM 1896 OE2 GLU A 120 5.765 -15.101 -17.408 1.00 0.00 O ATOM 0 H GLU A 120 0.644 -13.527 -16.038 1.00 0.00 H new ATOM 0 HA GLU A 120 0.878 -16.379 -15.855 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.272 -16.495 -16.452 1.00 0.00 H new ATOM 0 HB3 GLU A 120 2.236 -16.168 -17.827 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.872 -13.821 -17.828 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.764 -14.014 -16.332 1.00 0.00 H new ATOM 1903 N GLU A 121 1.130 -14.353 -13.824 1.00 0.00 N ATOM 1904 CA GLU A 121 1.456 -13.980 -12.449 1.00 0.00 C ATOM 1905 C GLU A 121 1.293 -15.192 -11.535 1.00 0.00 C ATOM 1906 O GLU A 121 1.739 -15.205 -10.390 1.00 0.00 O ATOM 1907 CB GLU A 121 0.535 -12.849 -11.984 1.00 0.00 C ATOM 1908 CG GLU A 121 0.857 -12.313 -10.597 1.00 0.00 C ATOM 1909 CD GLU A 121 -0.222 -11.397 -10.064 1.00 0.00 C ATOM 1910 OE1 GLU A 121 -0.257 -10.215 -10.465 1.00 0.00 O ATOM 1911 OE2 GLU A 121 -1.045 -11.858 -9.243 1.00 0.00 O ATOM 0 H GLU A 121 0.221 -14.020 -14.146 1.00 0.00 H new ATOM 0 HA GLU A 121 2.489 -13.636 -12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.594 -12.030 -12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.495 -13.207 -11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.991 -13.149 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.803 -11.773 -10.631 1.00 0.00 H new ATOM 1918 N GLU A 122 0.671 -16.221 -12.080 1.00 0.00 N ATOM 1919 CA GLU A 122 0.335 -17.421 -11.332 1.00 0.00 C ATOM 1920 C GLU A 122 1.467 -18.444 -11.393 1.00 0.00 C ATOM 1921 O GLU A 122 1.243 -19.640 -11.220 1.00 0.00 O ATOM 1922 CB GLU A 122 -0.941 -18.014 -11.923 1.00 0.00 C ATOM 1923 CG GLU A 122 -2.093 -17.028 -11.944 1.00 0.00 C ATOM 1924 CD GLU A 122 -3.120 -17.351 -13.001 1.00 0.00 C ATOM 1925 OE1 GLU A 122 -3.920 -18.283 -12.797 1.00 0.00 O ATOM 1926 OE2 GLU A 122 -3.135 -16.664 -14.045 1.00 0.00 O ATOM 0 H GLU A 122 0.383 -16.249 -13.058 1.00 0.00 H new ATOM 0 HA GLU A 122 0.183 -17.162 -10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.741 -18.354 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.230 -18.891 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.575 -17.019 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.703 -16.025 -12.117 1.00 0.00 H new ATOM 1933 N LEU A 123 2.684 -17.972 -11.619 1.00 0.00 N ATOM 1934 CA LEU A 123 3.829 -18.862 -11.763 1.00 0.00 C ATOM 1935 C LEU A 123 4.774 -18.752 -10.576 1.00 0.00 C ATOM 1936 O LEU A 123 5.114 -17.649 -10.142 1.00 0.00 O ATOM 1937 CB LEU A 123 4.605 -18.535 -13.040 1.00 0.00 C ATOM 1938 CG LEU A 123 3.809 -18.618 -14.338 1.00 0.00 C ATOM 1939 CD1 LEU A 123 4.697 -18.266 -15.517 1.00 0.00 C ATOM 1940 CD2 LEU A 123 3.210 -20.003 -14.515 1.00 0.00 C ATOM 0 H LEU A 123 2.905 -16.980 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 123 3.440 -19.879 -11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.011 -17.528 -12.948 1.00 0.00 H new ATOM 0 HB3 LEU A 123 5.454 -19.215 -13.112 1.00 0.00 H new ATOM 0 HG LEU A 123 2.990 -17.900 -14.289 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.119 -18.328 -16.439 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.078 -17.252 -15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 123 5.532 -18.964 -15.565 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.647 -20.039 -15.447 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.009 -20.744 -14.545 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.544 -20.221 -13.680 1.00 0.00 H new ATOM 1952 N GLU A 124 5.197 -19.899 -10.058 1.00 0.00 N ATOM 1953 CA GLU A 124 6.256 -19.939 -9.064 1.00 0.00 C ATOM 1954 C GLU A 124 7.580 -19.723 -9.781 1.00 0.00 C ATOM 1955 O GLU A 124 8.170 -20.677 -10.294 1.00 0.00 O ATOM 1956 CB GLU A 124 6.288 -21.278 -8.311 1.00 0.00 C ATOM 1957 CG GLU A 124 4.932 -21.769 -7.824 1.00 0.00 C ATOM 1958 CD GLU A 124 4.134 -22.458 -8.913 1.00 0.00 C ATOM 1959 OE1 GLU A 124 4.482 -23.599 -9.280 1.00 0.00 O ATOM 1960 OE2 GLU A 124 3.155 -21.866 -9.410 1.00 0.00 O ATOM 0 H GLU A 124 4.821 -20.813 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 124 6.076 -19.159 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.720 -22.036 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.953 -21.180 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.077 -22.460 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.361 -20.924 -7.440 1.00 0.00 H new ATOM 1967 N HIS A 125 8.013 -18.464 -9.839 1.00 0.00 N ATOM 1968 CA HIS A 125 9.145 -18.048 -10.665 1.00 0.00 C ATOM 1969 C HIS A 125 8.759 -18.126 -12.140 1.00 0.00 C ATOM 1970 O HIS A 125 8.396 -19.190 -12.642 1.00 0.00 O ATOM 1971 CB HIS A 125 10.400 -18.891 -10.383 1.00 0.00 C ATOM 1972 CG HIS A 125 11.599 -18.486 -11.187 1.00 0.00 C ATOM 1973 ND1 HIS A 125 12.197 -19.306 -12.124 1.00 0.00 N ATOM 1974 CD2 HIS A 125 12.318 -17.340 -11.184 1.00 0.00 C ATOM 1975 CE1 HIS A 125 13.228 -18.679 -12.660 1.00 0.00 C ATOM 1976 NE2 HIS A 125 13.320 -17.486 -12.108 1.00 0.00 N ATOM 0 H HIS A 125 7.587 -17.702 -9.312 1.00 0.00 H new ATOM 0 HA HIS A 125 9.391 -17.017 -10.411 1.00 0.00 H new ATOM 0 HB2 HIS A 125 10.644 -18.818 -9.323 1.00 0.00 H new ATOM 0 HB3 HIS A 125 10.175 -19.938 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 125 12.136 -16.472 -10.568 1.00 0.00 H new ATOM 0 HE1 HIS A 125 13.884 -19.076 -13.421 1.00 0.00 H new ATOM 0 HE2 HIS A 125 14.024 -16.783 -12.332 1.00 0.00 H new ATOM 1985 N HIS A 126 8.814 -16.985 -12.817 1.00 0.00 N ATOM 1986 CA HIS A 126 8.433 -16.902 -14.223 1.00 0.00 C ATOM 1987 C HIS A 126 9.220 -17.895 -15.063 1.00 0.00 C ATOM 1988 O HIS A 126 10.414 -17.720 -15.303 1.00 0.00 O ATOM 1989 CB HIS A 126 8.620 -15.483 -14.764 1.00 0.00 C ATOM 1990 CG HIS A 126 7.551 -14.534 -14.324 1.00 0.00 C ATOM 1991 ND1 HIS A 126 6.371 -14.366 -15.007 1.00 0.00 N ATOM 1992 CD2 HIS A 126 7.485 -13.706 -13.259 1.00 0.00 C ATOM 1993 CE1 HIS A 126 5.624 -13.483 -14.380 1.00 0.00 C ATOM 1994 NE2 HIS A 126 6.275 -13.059 -13.311 1.00 0.00 N ATOM 0 H HIS A 126 9.120 -16.100 -12.413 1.00 0.00 H new ATOM 0 HA HIS A 126 7.375 -17.157 -14.290 1.00 0.00 H new ATOM 0 HB2 HIS A 126 9.589 -15.103 -14.440 1.00 0.00 H new ATOM 0 HB3 HIS A 126 8.640 -15.517 -15.853 1.00 0.00 H new ATOM 0 HD1 HIS A 126 6.114 -14.851 -15.867 1.00 0.00 H new ATOM 0 HD2 HIS A 126 8.246 -13.576 -12.504 1.00 0.00 H new ATOM 0 HE1 HIS A 126 4.641 -13.158 -14.688 1.00 0.00 H new ATOM 2003 N HIS A 127 8.533 -18.949 -15.476 1.00 0.00 N ATOM 2004 CA HIS A 127 9.135 -20.024 -16.246 1.00 0.00 C ATOM 2005 C HIS A 127 8.486 -20.086 -17.626 1.00 0.00 C ATOM 2006 O HIS A 127 8.808 -20.937 -18.456 1.00 0.00 O ATOM 2007 CB HIS A 127 8.948 -21.341 -15.486 1.00 0.00 C ATOM 2008 CG HIS A 127 9.746 -22.488 -16.016 1.00 0.00 C ATOM 2009 ND1 HIS A 127 11.120 -22.518 -15.995 1.00 0.00 N ATOM 2010 CD2 HIS A 127 9.355 -23.662 -16.560 1.00 0.00 C ATOM 2011 CE1 HIS A 127 11.539 -23.660 -16.500 1.00 0.00 C ATOM 2012 NE2 HIS A 127 10.489 -24.374 -16.851 1.00 0.00 N ATOM 0 H HIS A 127 7.540 -19.082 -15.286 1.00 0.00 H new ATOM 0 HA HIS A 127 10.202 -19.846 -16.381 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.215 -21.183 -14.441 1.00 0.00 H new ATOM 0 HB3 HIS A 127 7.892 -21.610 -15.508 1.00 0.00 H new ATOM 0 HD2 HIS A 127 8.337 -23.980 -16.733 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.571 -23.961 -16.608 1.00 0.00 H new ATOM 0 HE2 HIS A 127 10.516 -25.303 -17.270 1.00 0.00 H new ATOM 2021 N HIS A 128 7.569 -19.156 -17.854 1.00 0.00 N ATOM 2022 CA HIS A 128 6.857 -19.053 -19.117 1.00 0.00 C ATOM 2023 C HIS A 128 7.491 -17.951 -19.953 1.00 0.00 C ATOM 2024 O HIS A 128 7.942 -16.949 -19.404 1.00 0.00 O ATOM 2025 CB HIS A 128 5.378 -18.748 -18.845 1.00 0.00 C ATOM 2026 CG HIS A 128 4.502 -18.702 -20.061 1.00 0.00 C ATOM 2027 ND1 HIS A 128 3.921 -19.823 -20.610 1.00 0.00 N ATOM 2028 CD2 HIS A 128 4.081 -17.657 -20.813 1.00 0.00 C ATOM 2029 CE1 HIS A 128 3.182 -19.469 -21.644 1.00 0.00 C ATOM 2030 NE2 HIS A 128 3.257 -18.160 -21.791 1.00 0.00 N ATOM 0 H HIS A 128 7.299 -18.452 -17.167 1.00 0.00 H new ATOM 0 HA HIS A 128 6.920 -19.993 -19.665 1.00 0.00 H new ATOM 0 HB2 HIS A 128 4.987 -19.504 -18.163 1.00 0.00 H new ATOM 0 HB3 HIS A 128 5.310 -17.789 -18.331 1.00 0.00 H new ATOM 0 HD2 HIS A 128 4.344 -16.619 -20.670 1.00 0.00 H new ATOM 0 HE1 HIS A 128 2.610 -20.140 -22.267 1.00 0.00 H new ATOM 0 HE2 HIS A 128 2.783 -17.613 -22.510 1.00 0.00 H new ATOM 2039 N HIS A 129 7.535 -18.150 -21.269 1.00 0.00 N ATOM 2040 CA HIS A 129 8.133 -17.178 -22.184 1.00 0.00 C ATOM 2041 C HIS A 129 9.637 -17.043 -21.935 1.00 0.00 C ATOM 2042 O HIS A 129 10.078 -16.287 -21.070 1.00 0.00 O ATOM 2043 CB HIS A 129 7.421 -15.815 -22.074 1.00 0.00 C ATOM 2044 CG HIS A 129 8.151 -14.671 -22.722 1.00 0.00 C ATOM 2045 ND1 HIS A 129 8.425 -14.608 -24.073 1.00 0.00 N ATOM 2046 CD2 HIS A 129 8.672 -13.542 -22.183 1.00 0.00 C ATOM 2047 CE1 HIS A 129 9.083 -13.492 -24.334 1.00 0.00 C ATOM 2048 NE2 HIS A 129 9.243 -12.831 -23.207 1.00 0.00 N ATOM 0 H HIS A 129 7.161 -18.981 -21.728 1.00 0.00 H new ATOM 0 HA HIS A 129 8.000 -17.543 -23.203 1.00 0.00 H new ATOM 0 HB2 HIS A 129 6.432 -15.899 -22.525 1.00 0.00 H new ATOM 0 HB3 HIS A 129 7.272 -15.582 -21.020 1.00 0.00 H new ATOM 0 HD2 HIS A 129 8.643 -13.256 -21.142 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.430 -13.176 -25.307 1.00 0.00 H new ATOM 0 HE2 HIS A 129 9.716 -11.933 -23.111 1.00 0.00 H new ATOM 2057 N HIS A 130 10.414 -17.807 -22.687 1.00 0.00 N ATOM 2058 CA HIS A 130 11.865 -17.736 -22.611 1.00 0.00 C ATOM 2059 C HIS A 130 12.467 -17.812 -24.010 1.00 0.00 C ATOM 2060 O HIS A 130 12.927 -16.768 -24.509 1.00 0.00 O ATOM 2061 CB HIS A 130 12.444 -18.832 -21.691 1.00 0.00 C ATOM 2062 CG HIS A 130 11.943 -20.224 -21.961 1.00 0.00 C ATOM 2063 ND1 HIS A 130 12.615 -21.129 -22.754 1.00 0.00 N ATOM 2064 CD2 HIS A 130 10.840 -20.869 -21.513 1.00 0.00 C ATOM 2065 CE1 HIS A 130 11.947 -22.266 -22.782 1.00 0.00 C ATOM 2066 NE2 HIS A 130 10.867 -22.137 -22.037 1.00 0.00 N ATOM 2067 OXT HIS A 130 12.435 -18.899 -24.626 1.00 0.00 O ATOM 0 H HIS A 130 10.061 -18.487 -23.361 1.00 0.00 H new ATOM 0 HA HIS A 130 12.135 -16.777 -22.168 1.00 0.00 H new ATOM 0 HB2 HIS A 130 13.530 -18.829 -21.787 1.00 0.00 H new ATOM 0 HB3 HIS A 130 12.215 -18.575 -20.657 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.080 -20.461 -20.863 1.00 0.00 H new ATOM 0 HE1 HIS A 130 12.236 -23.154 -23.324 1.00 0.00 H new ATOM 0 HE2 HIS A 130 10.167 -22.861 -21.876 1.00 0.00 H new TER 2076 HIS A 130