USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1309 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 136 LYS NZ :NH3+ -153:sc= 0.583 (180deg=-0.632) USER MOD Set 1.2: A 155 SER OG : rot -166:sc= 0.581 USER MOD Set 2.1: A 42 ASN : amide:sc= -2.11 K(o=-3.6,f=-9.6!) USER MOD Set 2.2: A 140 THR OG1 : rot 76:sc= -1.51! USER MOD Set 3.1: A 82 GLN : amide:sc= -0.183 K(o=0.26,f=-0.78) USER MOD Set 3.2: A 109 ASN : amide:sc= 0.446 K(o=0.26,f=-12!) USER MOD Set 4.1: A 86 ASN : amide:sc= 0.837 K(o=-0.46,f=-7.5!) USER MOD Set 4.2: A 138 ASN : amide:sc= -1.3 K(o=-0.46,f=-4.3!) USER MOD Set 5.1: A 45 SER OG : rot -81:sc= 1.08 USER MOD Set 5.2: A 78 GLN : amide:sc= 0.728 K(o=2.4,f=-1.5) USER MOD Set 5.3: A 95 CYS SG : rot -108:sc= 0.305 USER MOD Set 5.4: A 107 LYS NZ :NH3+ -127:sc= 0.31 (180deg=0) USER MOD Set 6.1: A 29 ASN :FLIP amide:sc= -3.9! C(o=-12!,f=-11!) USER MOD Set 6.2: A 32 GLN :FLIP amide:sc= -0.0107 F(o=-12,f=-11) USER MOD Set 6.3: A 33 HIS : no HE2:sc= -6.86! C(o=-11!,f=-16!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -37:sc= 0.535 USER MOD Single : A 14 SER OG : rot -141:sc= 0.679 USER MOD Single : A 25 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-4.1!) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0.222 (180deg=0.21) USER MOD Single : A 28 TYR OH : rot 150:sc= -4.17! USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 36 SER OG : rot -150:sc= 0 USER MOD Single : A 41 TYR OH : rot 15:sc= -0.95 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -55:sc= -1.34 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 34:sc= 0.0759 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 83:sc= 1.07 USER MOD Single : A 56 THR OG1 : rot 167:sc= -1.25! USER MOD Single : A 58 THR OG1 : rot 83:sc= 0.446 USER MOD Single : A 59 THR OG1 : rot 90:sc= 0.46 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc=-0.00977 F(o=-1.4!,f=-0.0098) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 1.26 USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -0.147 (180deg=-0.683) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0805 F(o=-1.3,f=-0.08) USER MOD Single : A 70 THR OG1 : rot 59:sc= -1.11! USER MOD Single : A 76 SER OG : rot 180:sc= -0.0872 USER MOD Single : A 77 ASN : amide:sc= -2.41! C(o=-2.4!,f=-6.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 2.39 (180deg=2.22) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -154:sc= -3.12 (180deg=-4.57!) USER MOD Single : A 111 ASN : amide:sc= -0.522 K(o=-0.52,f=-6.6!) USER MOD Single : A 114 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-13!) USER MOD Single : A 119 TYR OH : rot 34:sc= -3.62! USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -114:sc= -9.25! (180deg=-13.1!) USER MOD Single : A 123 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.15) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 87:sc= 0.732 USER MOD Single : A 126 LYS NZ :NH3+ -154:sc= 0.303 (180deg=-0.808) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0.517 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot -109:sc= 1.74 USER MOD Single : A 159 SER OG : rot -61:sc= 1.16 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.16) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -4.729 18.117 -4.714 1.00 5.22 N ATOM 2 CA GLY A 10 -4.216 18.467 -3.367 1.00 4.42 C ATOM 3 C GLY A 10 -5.246 18.232 -2.286 1.00 3.29 C ATOM 4 O GLY A 10 -5.035 17.423 -1.380 1.00 3.60 O ATOM 0 HA2 GLY A 10 -3.326 17.875 -3.154 1.00 4.42 H new ATOM 0 HA3 GLY A 10 -3.912 19.514 -3.356 1.00 4.42 H new ATOM 10 N MET A 11 -6.360 18.943 -2.373 1.00 2.49 N ATOM 11 CA MET A 11 -7.456 18.766 -1.435 1.00 1.84 C ATOM 12 C MET A 11 -8.338 17.609 -1.885 1.00 1.40 C ATOM 13 O MET A 11 -9.396 17.811 -2.484 1.00 2.20 O ATOM 14 CB MET A 11 -8.284 20.048 -1.326 1.00 2.43 C ATOM 15 CG MET A 11 -9.390 19.974 -0.285 1.00 3.11 C ATOM 16 SD MET A 11 -10.393 21.468 -0.234 1.00 4.02 S ATOM 17 CE MET A 11 -11.528 21.050 1.085 1.00 4.85 C ATOM 0 H MET A 11 -6.528 19.651 -3.088 1.00 2.49 H new ATOM 0 HA MET A 11 -7.042 18.540 -0.452 1.00 1.84 H new ATOM 0 HB2 MET A 11 -7.622 20.878 -1.081 1.00 2.43 H new ATOM 0 HB3 MET A 11 -8.726 20.269 -2.298 1.00 2.43 H new ATOM 0 HG2 MET A 11 -10.030 19.118 -0.500 1.00 3.11 H new ATOM 0 HG3 MET A 11 -8.949 19.803 0.697 1.00 3.11 H new ATOM 0 HE1 MET A 11 -12.221 21.876 1.244 1.00 4.85 H new ATOM 0 HE2 MET A 11 -12.087 20.154 0.814 1.00 4.85 H new ATOM 0 HE3 MET A 11 -10.968 20.865 2.002 1.00 4.85 H new ATOM 27 N GLY A 12 -7.879 16.399 -1.621 1.00 0.92 N ATOM 28 CA GLY A 12 -8.636 15.228 -1.996 1.00 0.85 C ATOM 29 C GLY A 12 -9.433 14.670 -0.841 1.00 0.79 C ATOM 30 O GLY A 12 -8.957 14.644 0.294 1.00 1.55 O ATOM 0 H GLY A 12 -6.994 16.206 -1.153 1.00 0.92 H new ATOM 0 HA2 GLY A 12 -9.312 15.481 -2.813 1.00 0.85 H new ATOM 0 HA3 GLY A 12 -7.956 14.462 -2.370 1.00 0.85 H new ATOM 34 N SER A 13 -10.647 14.230 -1.123 1.00 0.52 N ATOM 35 CA SER A 13 -11.483 13.610 -0.110 1.00 0.53 C ATOM 36 C SER A 13 -11.300 12.099 -0.148 1.00 0.41 C ATOM 37 O SER A 13 -11.879 11.367 0.653 1.00 0.53 O ATOM 38 CB SER A 13 -12.952 13.980 -0.330 1.00 0.79 C ATOM 39 OG SER A 13 -13.784 13.377 0.647 1.00 1.58 O ATOM 0 H SER A 13 -11.076 14.291 -2.046 1.00 0.52 H new ATOM 0 HA SER A 13 -11.184 13.977 0.872 1.00 0.53 H new ATOM 0 HB2 SER A 13 -13.067 15.063 -0.291 1.00 0.79 H new ATOM 0 HB3 SER A 13 -13.265 13.662 -1.325 1.00 0.79 H new ATOM 0 HG SER A 13 -13.450 12.479 0.851 1.00 1.58 H new ATOM 45 N SER A 14 -10.452 11.658 -1.064 1.00 0.32 N ATOM 46 CA SER A 14 -10.200 10.276 -1.320 1.00 0.22 C ATOM 47 C SER A 14 -8.866 10.231 -2.005 1.00 0.21 C ATOM 48 O SER A 14 -8.426 11.217 -2.604 1.00 0.35 O ATOM 49 CB SER A 14 -11.286 9.674 -2.214 1.00 0.25 C ATOM 50 OG SER A 14 -12.584 9.912 -1.691 1.00 1.17 O ATOM 0 H SER A 14 -9.911 12.284 -1.661 1.00 0.32 H new ATOM 0 HA SER A 14 -10.203 9.694 -0.399 1.00 0.22 H new ATOM 0 HB2 SER A 14 -11.212 10.100 -3.214 1.00 0.25 H new ATOM 0 HB3 SER A 14 -11.124 8.601 -2.312 1.00 0.25 H new ATOM 0 HG SER A 14 -13.143 9.119 -1.830 1.00 1.17 H new ATOM 56 N ILE A 15 -8.223 9.106 -1.884 1.00 0.18 N ATOM 57 CA ILE A 15 -6.904 8.894 -2.421 1.00 0.18 C ATOM 58 C ILE A 15 -6.860 9.134 -3.933 1.00 0.17 C ATOM 59 O ILE A 15 -5.806 9.386 -4.504 1.00 0.19 O ATOM 60 CB ILE A 15 -6.478 7.459 -2.113 1.00 0.17 C ATOM 61 CG1 ILE A 15 -7.503 6.483 -2.690 1.00 0.18 C ATOM 62 CG2 ILE A 15 -6.349 7.266 -0.620 1.00 0.23 C ATOM 63 CD1 ILE A 15 -6.923 5.156 -3.117 1.00 0.38 C ATOM 0 H ILE A 15 -8.605 8.293 -1.401 1.00 0.18 H new ATOM 0 HA ILE A 15 -6.221 9.606 -1.958 1.00 0.18 H new ATOM 0 HB ILE A 15 -5.509 7.265 -2.572 1.00 0.17 H new ATOM 0 HG12 ILE A 15 -8.278 6.305 -1.944 1.00 0.18 H new ATOM 0 HG13 ILE A 15 -7.987 6.948 -3.549 1.00 0.18 H new ATOM 0 HG21 ILE A 15 -6.045 6.240 -0.411 1.00 0.23 H new ATOM 0 HG22 ILE A 15 -5.600 7.954 -0.228 1.00 0.23 H new ATOM 0 HG23 ILE A 15 -7.309 7.464 -0.143 1.00 0.23 H new ATOM 0 HD11 ILE A 15 -7.716 4.523 -3.514 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -6.169 5.319 -3.887 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -6.464 4.666 -2.258 1.00 0.38 H new ATOM 75 N PHE A 16 -8.025 9.103 -4.560 1.00 0.18 N ATOM 76 CA PHE A 16 -8.131 9.176 -6.010 1.00 0.19 C ATOM 77 C PHE A 16 -7.773 10.553 -6.566 1.00 0.21 C ATOM 78 O PHE A 16 -7.817 10.766 -7.779 1.00 0.30 O ATOM 79 CB PHE A 16 -9.535 8.825 -6.433 1.00 0.20 C ATOM 80 CG PHE A 16 -9.949 7.437 -6.063 1.00 0.19 C ATOM 81 CD1 PHE A 16 -9.113 6.368 -6.302 1.00 0.22 C ATOM 82 CD2 PHE A 16 -11.164 7.212 -5.449 1.00 0.18 C ATOM 83 CE1 PHE A 16 -9.478 5.098 -5.923 1.00 0.22 C ATOM 84 CE2 PHE A 16 -11.539 5.941 -5.081 1.00 0.19 C ATOM 85 CZ PHE A 16 -10.733 4.862 -5.447 1.00 0.19 C ATOM 0 H PHE A 16 -8.922 9.027 -4.080 1.00 0.18 H new ATOM 0 HA PHE A 16 -7.412 8.464 -6.415 1.00 0.19 H new ATOM 0 HB2 PHE A 16 -10.228 9.534 -5.980 1.00 0.20 H new ATOM 0 HB3 PHE A 16 -9.619 8.943 -7.513 1.00 0.20 H new ATOM 0 HD1 PHE A 16 -8.164 6.529 -6.791 1.00 0.22 H new ATOM 0 HD2 PHE A 16 -11.827 8.042 -5.255 1.00 0.18 H new ATOM 0 HE1 PHE A 16 -8.770 4.287 -6.003 1.00 0.22 H new ATOM 0 HE2 PHE A 16 -12.445 5.780 -4.516 1.00 0.19 H new ATOM 0 HZ PHE A 16 -11.100 3.851 -5.354 1.00 0.19 H new ATOM 95 N ASP A 17 -7.423 11.478 -5.693 1.00 0.21 N ATOM 96 CA ASP A 17 -7.005 12.802 -6.119 1.00 0.26 C ATOM 97 C ASP A 17 -5.573 12.721 -6.594 1.00 0.25 C ATOM 98 O ASP A 17 -5.076 13.594 -7.307 1.00 0.32 O ATOM 99 CB ASP A 17 -7.102 13.793 -4.959 1.00 0.32 C ATOM 100 CG ASP A 17 -6.759 15.213 -5.368 1.00 1.13 C ATOM 101 OD1 ASP A 17 -7.623 15.884 -5.969 1.00 1.30 O ATOM 102 OD2 ASP A 17 -5.632 15.670 -5.080 1.00 2.11 O ATOM 0 H ASP A 17 -7.419 11.338 -4.683 1.00 0.21 H new ATOM 0 HA ASP A 17 -7.655 13.147 -6.923 1.00 0.26 H new ATOM 0 HB2 ASP A 17 -8.113 13.771 -4.552 1.00 0.32 H new ATOM 0 HB3 ASP A 17 -6.430 13.478 -4.161 1.00 0.32 H new ATOM 107 N PHE A 18 -4.925 11.636 -6.204 1.00 0.22 N ATOM 108 CA PHE A 18 -3.516 11.477 -6.442 1.00 0.23 C ATOM 109 C PHE A 18 -3.242 10.386 -7.439 1.00 0.26 C ATOM 110 O PHE A 18 -3.506 9.207 -7.197 1.00 0.29 O ATOM 111 CB PHE A 18 -2.798 11.214 -5.139 1.00 0.21 C ATOM 112 CG PHE A 18 -2.951 12.357 -4.192 1.00 0.22 C ATOM 113 CD1 PHE A 18 -2.571 13.633 -4.570 1.00 0.27 C ATOM 114 CD2 PHE A 18 -3.506 12.168 -2.946 1.00 0.23 C ATOM 115 CE1 PHE A 18 -2.730 14.700 -3.710 1.00 0.31 C ATOM 116 CE2 PHE A 18 -3.674 13.229 -2.089 1.00 0.29 C ATOM 117 CZ PHE A 18 -3.287 14.497 -2.466 1.00 0.31 C ATOM 0 H PHE A 18 -5.363 10.853 -5.719 1.00 0.22 H new ATOM 0 HA PHE A 18 -3.137 12.405 -6.871 1.00 0.23 H new ATOM 0 HB2 PHE A 18 -3.191 10.306 -4.682 1.00 0.21 H new ATOM 0 HB3 PHE A 18 -1.740 11.040 -5.334 1.00 0.21 H new ATOM 0 HD1 PHE A 18 -2.145 13.795 -5.549 1.00 0.27 H new ATOM 0 HD2 PHE A 18 -3.812 11.178 -2.640 1.00 0.23 H new ATOM 0 HE1 PHE A 18 -2.419 15.690 -4.010 1.00 0.31 H new ATOM 0 HE2 PHE A 18 -4.112 13.068 -1.115 1.00 0.29 H new ATOM 0 HZ PHE A 18 -3.420 15.328 -1.789 1.00 0.31 H new ATOM 127 N GLU A 19 -2.756 10.824 -8.577 1.00 0.35 N ATOM 128 CA GLU A 19 -2.275 9.943 -9.623 1.00 0.43 C ATOM 129 C GLU A 19 -1.393 8.837 -9.047 1.00 0.34 C ATOM 130 O GLU A 19 -0.528 9.080 -8.198 1.00 0.37 O ATOM 131 CB GLU A 19 -1.481 10.748 -10.652 1.00 0.63 C ATOM 132 CG GLU A 19 -1.149 9.971 -11.916 1.00 1.08 C ATOM 133 CD GLU A 19 -2.366 9.714 -12.781 1.00 2.04 C ATOM 134 OE1 GLU A 19 -3.240 8.927 -12.355 1.00 2.86 O ATOM 135 OE2 GLU A 19 -2.454 10.291 -13.888 1.00 2.30 O ATOM 0 H GLU A 19 -2.681 11.815 -8.808 1.00 0.35 H new ATOM 0 HA GLU A 19 -3.138 9.481 -10.103 1.00 0.43 H new ATOM 0 HB2 GLU A 19 -2.051 11.637 -10.922 1.00 0.63 H new ATOM 0 HB3 GLU A 19 -0.554 11.091 -10.194 1.00 0.63 H new ATOM 0 HG2 GLU A 19 -0.408 10.524 -12.493 1.00 1.08 H new ATOM 0 HG3 GLU A 19 -0.694 9.019 -11.643 1.00 1.08 H new ATOM 142 N VAL A 20 -1.602 7.633 -9.535 1.00 0.29 N ATOM 143 CA VAL A 20 -0.832 6.479 -9.113 1.00 0.26 C ATOM 144 C VAL A 20 0.017 6.032 -10.286 1.00 0.25 C ATOM 145 O VAL A 20 -0.202 6.488 -11.400 1.00 0.28 O ATOM 146 CB VAL A 20 -1.769 5.341 -8.613 1.00 0.31 C ATOM 147 CG1 VAL A 20 -1.026 4.040 -8.357 1.00 0.67 C ATOM 148 CG2 VAL A 20 -2.461 5.787 -7.349 1.00 0.49 C ATOM 0 H VAL A 20 -2.312 7.425 -10.237 1.00 0.29 H new ATOM 0 HA VAL A 20 -0.186 6.739 -8.274 1.00 0.26 H new ATOM 0 HB VAL A 20 -2.496 5.145 -9.401 1.00 0.31 H new ATOM 0 HG11 VAL A 20 -1.728 3.282 -8.010 1.00 0.67 H new ATOM 0 HG12 VAL A 20 -0.554 3.703 -9.280 1.00 0.67 H new ATOM 0 HG13 VAL A 20 -0.262 4.201 -7.597 1.00 0.67 H new ATOM 0 HG21 VAL A 20 -3.119 4.993 -6.995 1.00 0.49 H new ATOM 0 HG22 VAL A 20 -1.716 6.009 -6.585 1.00 0.49 H new ATOM 0 HG23 VAL A 20 -3.049 6.682 -7.553 1.00 0.49 H new ATOM 158 N LEU A 21 1.017 5.205 -10.042 1.00 0.28 N ATOM 159 CA LEU A 21 1.903 4.770 -11.104 1.00 0.35 C ATOM 160 C LEU A 21 2.071 3.266 -11.090 1.00 0.38 C ATOM 161 O LEU A 21 1.812 2.618 -10.085 1.00 0.58 O ATOM 162 CB LEU A 21 3.272 5.428 -10.945 1.00 0.45 C ATOM 163 CG LEU A 21 3.253 6.953 -10.862 1.00 0.46 C ATOM 164 CD1 LEU A 21 4.634 7.493 -10.568 1.00 0.69 C ATOM 165 CD2 LEU A 21 2.730 7.536 -12.151 1.00 0.68 C ATOM 0 H LEU A 21 1.235 4.823 -9.122 1.00 0.28 H new ATOM 0 HA LEU A 21 1.458 5.065 -12.054 1.00 0.35 H new ATOM 0 HB2 LEU A 21 3.743 5.037 -10.043 1.00 0.45 H new ATOM 0 HB3 LEU A 21 3.899 5.133 -11.786 1.00 0.45 H new ATOM 0 HG LEU A 21 2.591 7.244 -10.046 1.00 0.46 H new ATOM 0 HD11 LEU A 21 4.595 8.581 -10.514 1.00 0.69 H new ATOM 0 HD12 LEU A 21 4.986 7.094 -9.616 1.00 0.69 H new ATOM 0 HD13 LEU A 21 5.318 7.194 -11.362 1.00 0.69 H new ATOM 0 HD21 LEU A 21 2.721 8.624 -12.081 1.00 0.68 H new ATOM 0 HD22 LEU A 21 3.374 7.231 -12.976 1.00 0.68 H new ATOM 0 HD23 LEU A 21 1.717 7.175 -12.329 1.00 0.68 H new ATOM 177 N ASP A 22 2.454 2.718 -12.227 1.00 0.33 N ATOM 178 CA ASP A 22 2.981 1.370 -12.284 1.00 0.37 C ATOM 179 C ASP A 22 4.468 1.466 -11.977 1.00 0.35 C ATOM 180 O ASP A 22 5.002 2.576 -11.883 1.00 0.40 O ATOM 181 CB ASP A 22 2.735 0.752 -13.666 1.00 0.50 C ATOM 182 CG ASP A 22 3.090 -0.724 -13.728 1.00 1.16 C ATOM 183 OD1 ASP A 22 2.236 -1.561 -13.377 1.00 1.48 O ATOM 184 OD2 ASP A 22 4.226 -1.048 -14.131 1.00 1.87 O ATOM 0 H ASP A 22 2.409 3.191 -13.130 1.00 0.33 H new ATOM 0 HA ASP A 22 2.485 0.723 -11.561 1.00 0.37 H new ATOM 0 HB2 ASP A 22 1.686 0.879 -13.933 1.00 0.50 H new ATOM 0 HB3 ASP A 22 3.321 1.293 -14.409 1.00 0.50 H new ATOM 189 N ALA A 23 5.136 0.332 -11.832 1.00 0.39 N ATOM 190 CA ALA A 23 6.514 0.289 -11.338 1.00 0.42 C ATOM 191 C ALA A 23 7.502 1.008 -12.247 1.00 0.47 C ATOM 192 O ALA A 23 8.686 1.109 -11.921 1.00 0.59 O ATOM 193 CB ALA A 23 6.950 -1.150 -11.114 1.00 0.52 C ATOM 0 H ALA A 23 4.745 -0.584 -12.051 1.00 0.39 H new ATOM 0 HA ALA A 23 6.520 0.826 -10.389 1.00 0.42 H new ATOM 0 HB1 ALA A 23 7.976 -1.166 -10.747 1.00 0.52 H new ATOM 0 HB2 ALA A 23 6.295 -1.619 -10.380 1.00 0.52 H new ATOM 0 HB3 ALA A 23 6.892 -1.698 -12.054 1.00 0.52 H new ATOM 199 N ASP A 24 7.033 1.502 -13.378 1.00 0.46 N ATOM 200 CA ASP A 24 7.889 2.273 -14.264 1.00 0.54 C ATOM 201 C ASP A 24 7.393 3.707 -14.413 1.00 0.51 C ATOM 202 O ASP A 24 7.760 4.388 -15.369 1.00 0.62 O ATOM 203 CB ASP A 24 7.999 1.604 -15.634 1.00 0.69 C ATOM 204 CG ASP A 24 8.620 0.226 -15.546 1.00 1.43 C ATOM 205 OD1 ASP A 24 9.811 0.126 -15.186 1.00 1.51 O ATOM 206 OD2 ASP A 24 7.914 -0.764 -15.825 1.00 2.34 O ATOM 0 H ASP A 24 6.073 1.386 -13.704 1.00 0.46 H new ATOM 0 HA ASP A 24 8.880 2.306 -13.812 1.00 0.54 H new ATOM 0 HB2 ASP A 24 7.007 1.527 -16.080 1.00 0.69 H new ATOM 0 HB3 ASP A 24 8.598 2.230 -16.296 1.00 0.69 H new ATOM 211 N HIS A 25 6.523 4.158 -13.488 1.00 0.43 N ATOM 212 CA HIS A 25 6.074 5.553 -13.448 1.00 0.44 C ATOM 213 C HIS A 25 5.086 5.791 -14.575 1.00 0.47 C ATOM 214 O HIS A 25 4.786 6.924 -14.946 1.00 0.54 O ATOM 215 CB HIS A 25 7.246 6.545 -13.520 1.00 0.54 C ATOM 216 CG HIS A 25 8.090 6.594 -12.283 1.00 0.64 C ATOM 217 ND1 HIS A 25 7.763 7.318 -11.154 1.00 0.73 N ATOM 218 CD2 HIS A 25 9.253 5.976 -11.998 1.00 1.47 C ATOM 219 CE1 HIS A 25 8.686 7.129 -10.224 1.00 0.59 C ATOM 220 NE2 HIS A 25 9.606 6.322 -10.718 1.00 1.26 N ATOM 0 H HIS A 25 6.119 3.570 -12.759 1.00 0.43 H new ATOM 0 HA HIS A 25 5.584 5.728 -12.490 1.00 0.44 H new ATOM 0 HB2 HIS A 25 7.879 6.281 -14.367 1.00 0.54 H new ATOM 0 HB3 HIS A 25 6.851 7.542 -13.716 1.00 0.54 H new ATOM 0 HD2 HIS A 25 9.807 5.325 -12.658 1.00 1.47 H new ATOM 0 HE1 HIS A 25 8.686 7.560 -9.234 1.00 0.59 H new ATOM 0 HE2 HIS A 25 10.443 6.007 -10.228 1.00 1.26 H new ATOM 229 N LYS A 26 4.611 4.686 -15.124 1.00 0.48 N ATOM 230 CA LYS A 26 3.505 4.686 -16.056 1.00 0.53 C ATOM 231 C LYS A 26 2.234 4.845 -15.249 1.00 0.41 C ATOM 232 O LYS A 26 1.870 3.933 -14.513 1.00 0.38 O ATOM 233 CB LYS A 26 3.465 3.359 -16.812 1.00 0.67 C ATOM 234 CG LYS A 26 4.799 2.963 -17.429 1.00 1.00 C ATOM 235 CD LYS A 26 4.786 1.511 -17.875 1.00 2.12 C ATOM 236 CE LYS A 26 4.682 0.576 -16.681 1.00 3.15 C ATOM 237 NZ LYS A 26 4.528 -0.846 -17.082 1.00 4.25 N ATOM 0 H LYS A 26 4.988 3.758 -14.931 1.00 0.48 H new ATOM 0 HA LYS A 26 3.612 5.495 -16.779 1.00 0.53 H new ATOM 0 HB2 LYS A 26 3.143 2.572 -16.130 1.00 0.67 H new ATOM 0 HB3 LYS A 26 2.715 3.423 -17.601 1.00 0.67 H new ATOM 0 HG2 LYS A 26 5.014 3.607 -18.282 1.00 1.00 H new ATOM 0 HG3 LYS A 26 5.598 3.117 -16.704 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.946 1.341 -18.549 1.00 2.12 H new ATOM 0 HD3 LYS A 26 5.694 1.291 -18.436 1.00 2.12 H new ATOM 0 HE2 LYS A 26 5.574 0.681 -16.063 1.00 3.15 H new ATOM 0 HE3 LYS A 26 3.832 0.871 -16.066 1.00 3.15 H new ATOM 0 HZ1 LYS A 26 4.360 -1.429 -16.237 1.00 4.25 H new ATOM 0 HZ2 LYS A 26 3.722 -0.938 -17.732 1.00 4.25 H new ATOM 0 HZ3 LYS A 26 5.395 -1.168 -17.558 1.00 4.25 H new ATOM 251 N PRO A 27 1.574 6.007 -15.332 1.00 0.41 N ATOM 252 CA PRO A 27 0.443 6.333 -14.462 1.00 0.37 C ATOM 253 C PRO A 27 -0.596 5.224 -14.376 1.00 0.32 C ATOM 254 O PRO A 27 -1.248 4.864 -15.358 1.00 0.36 O ATOM 255 CB PRO A 27 -0.132 7.590 -15.106 1.00 0.46 C ATOM 256 CG PRO A 27 1.062 8.237 -15.706 1.00 0.54 C ATOM 257 CD PRO A 27 1.875 7.105 -16.263 1.00 0.50 C ATOM 0 HA PRO A 27 0.753 6.470 -13.426 1.00 0.37 H new ATOM 0 HB2 PRO A 27 -0.882 7.350 -15.860 1.00 0.46 H new ATOM 0 HB3 PRO A 27 -0.614 8.235 -14.371 1.00 0.46 H new ATOM 0 HG2 PRO A 27 0.779 8.942 -16.488 1.00 0.54 H new ATOM 0 HG3 PRO A 27 1.625 8.798 -14.960 1.00 0.54 H new ATOM 0 HD2 PRO A 27 1.584 6.861 -17.285 1.00 0.50 H new ATOM 0 HD3 PRO A 27 2.939 7.341 -16.282 1.00 0.50 H new ATOM 265 N TYR A 28 -0.723 4.708 -13.168 1.00 0.28 N ATOM 266 CA TYR A 28 -1.706 3.693 -12.828 1.00 0.26 C ATOM 267 C TYR A 28 -3.097 4.286 -12.684 1.00 0.25 C ATOM 268 O TYR A 28 -3.267 5.419 -12.235 1.00 0.37 O ATOM 269 CB TYR A 28 -1.333 3.050 -11.495 1.00 0.30 C ATOM 270 CG TYR A 28 -1.485 1.559 -11.469 1.00 0.37 C ATOM 271 CD1 TYR A 28 -2.683 0.968 -11.833 1.00 0.50 C ATOM 272 CD2 TYR A 28 -0.441 0.747 -11.068 1.00 0.82 C ATOM 273 CE1 TYR A 28 -2.849 -0.395 -11.781 1.00 0.64 C ATOM 274 CE2 TYR A 28 -0.587 -0.623 -11.018 1.00 1.10 C ATOM 275 CZ TYR A 28 -1.734 -1.200 -11.474 1.00 0.92 C ATOM 276 OH TYR A 28 -1.947 -2.558 -11.292 1.00 1.20 O ATOM 0 H TYR A 28 -0.137 4.986 -12.381 1.00 0.28 H new ATOM 0 HA TYR A 28 -1.712 2.960 -13.635 1.00 0.26 H new ATOM 0 HB2 TYR A 28 -0.299 3.303 -11.259 1.00 0.30 H new ATOM 0 HB3 TYR A 28 -1.954 3.481 -10.710 1.00 0.30 H new ATOM 0 HD1 TYR A 28 -3.502 1.590 -12.164 1.00 0.50 H new ATOM 0 HD2 TYR A 28 0.503 1.192 -10.790 1.00 0.82 H new ATOM 0 HE1 TYR A 28 -3.814 -0.840 -11.972 1.00 0.64 H new ATOM 0 HE2 TYR A 28 0.206 -1.238 -10.618 1.00 1.10 H new ATOM 0 HH TYR A 28 -1.145 -3.054 -11.559 1.00 1.20 H new ATOM 286 N ASN A 29 -4.086 3.494 -13.054 1.00 0.34 N ATOM 287 CA ASN A 29 -5.472 3.871 -12.890 1.00 0.42 C ATOM 288 C ASN A 29 -5.934 3.519 -11.482 1.00 0.34 C ATOM 289 O ASN A 29 -6.291 2.378 -11.195 1.00 0.44 O ATOM 290 CB ASN A 29 -6.336 3.168 -13.934 1.00 0.67 C ATOM 291 CG ASN A 29 -7.780 3.631 -13.918 1.00 0.73 C ATOM 292 OD1 ASN A 29 -8.010 4.862 -13.488 1.00 1.18 O flip ATOM 293 ND2 ASN A 29 -8.685 2.883 -14.290 1.00 1.51 N flip ATOM 0 H ASN A 29 -3.949 2.575 -13.475 1.00 0.34 H new ATOM 0 HA ASN A 29 -5.573 4.947 -13.034 1.00 0.42 H new ATOM 0 HB2 ASN A 29 -5.915 3.344 -14.924 1.00 0.67 H new ATOM 0 HB3 ASN A 29 -6.303 2.092 -13.760 1.00 0.67 H new ATOM 0 HD21 ASN A 29 -8.467 1.941 -14.615 1.00 1.51 H new ATOM 0 HD22 ASN A 29 -9.652 3.206 -14.273 1.00 1.51 H new ATOM 300 N LEU A 30 -5.900 4.502 -10.602 1.00 0.25 N ATOM 301 CA LEU A 30 -6.271 4.301 -9.211 1.00 0.20 C ATOM 302 C LEU A 30 -7.782 4.288 -9.049 1.00 0.19 C ATOM 303 O LEU A 30 -8.340 3.409 -8.392 1.00 0.19 O ATOM 304 CB LEU A 30 -5.689 5.414 -8.349 1.00 0.22 C ATOM 305 CG LEU A 30 -6.032 5.350 -6.881 1.00 0.22 C ATOM 306 CD1 LEU A 30 -5.421 4.114 -6.240 1.00 0.23 C ATOM 307 CD2 LEU A 30 -5.579 6.611 -6.167 1.00 0.28 C ATOM 0 H LEU A 30 -5.617 5.456 -10.827 1.00 0.25 H new ATOM 0 HA LEU A 30 -5.871 3.338 -8.893 1.00 0.20 H new ATOM 0 HB2 LEU A 30 -4.604 5.398 -8.451 1.00 0.22 H new ATOM 0 HB3 LEU A 30 -6.032 6.371 -8.742 1.00 0.22 H new ATOM 0 HG LEU A 30 -7.116 5.280 -6.786 1.00 0.22 H new ATOM 0 HD11 LEU A 30 -5.680 4.087 -5.182 1.00 0.23 H new ATOM 0 HD12 LEU A 30 -5.807 3.221 -6.731 1.00 0.23 H new ATOM 0 HD13 LEU A 30 -4.337 4.147 -6.347 1.00 0.23 H new ATOM 0 HD21 LEU A 30 -5.836 6.543 -5.110 1.00 0.28 H new ATOM 0 HD22 LEU A 30 -4.500 6.720 -6.271 1.00 0.28 H new ATOM 0 HD23 LEU A 30 -6.075 7.476 -6.606 1.00 0.28 H new ATOM 319 N VAL A 31 -8.435 5.255 -9.681 1.00 0.20 N ATOM 320 CA VAL A 31 -9.874 5.473 -9.523 1.00 0.19 C ATOM 321 C VAL A 31 -10.705 4.322 -10.060 1.00 0.20 C ATOM 322 O VAL A 31 -11.924 4.367 -10.013 1.00 0.23 O ATOM 323 CB VAL A 31 -10.346 6.762 -10.217 1.00 0.22 C ATOM 324 CG1 VAL A 31 -10.529 7.885 -9.234 1.00 1.02 C ATOM 325 CG2 VAL A 31 -9.359 7.183 -11.265 1.00 0.87 C ATOM 0 H VAL A 31 -7.985 5.912 -10.318 1.00 0.20 H new ATOM 0 HA VAL A 31 -10.026 5.555 -8.447 1.00 0.19 H new ATOM 0 HB VAL A 31 -11.308 6.546 -10.681 1.00 0.22 H new ATOM 0 HG11 VAL A 31 -10.863 8.779 -9.761 1.00 1.02 H new ATOM 0 HG12 VAL A 31 -11.275 7.601 -8.492 1.00 1.02 H new ATOM 0 HG13 VAL A 31 -9.582 8.090 -8.736 1.00 1.02 H new ATOM 0 HG21 VAL A 31 -9.707 8.097 -11.747 1.00 0.87 H new ATOM 0 HG22 VAL A 31 -8.390 7.365 -10.800 1.00 0.87 H new ATOM 0 HG23 VAL A 31 -9.261 6.394 -12.011 1.00 0.87 H new ATOM 335 N GLN A 32 -10.068 3.298 -10.588 1.00 0.21 N ATOM 336 CA GLN A 32 -10.811 2.133 -11.021 1.00 0.23 C ATOM 337 C GLN A 32 -11.206 1.306 -9.804 1.00 0.22 C ATOM 338 O GLN A 32 -12.024 0.393 -9.889 1.00 0.28 O ATOM 339 CB GLN A 32 -9.987 1.278 -11.984 1.00 0.26 C ATOM 340 CG GLN A 32 -8.786 0.631 -11.312 1.00 0.29 C ATOM 341 CD GLN A 32 -7.979 -0.260 -12.233 1.00 0.35 C ATOM 342 OE1 GLN A 32 -7.920 0.089 -13.508 1.00 1.02 O flip ATOM 343 NE2 GLN A 32 -7.393 -1.246 -11.786 1.00 0.75 N flip ATOM 0 H GLN A 32 -9.059 3.247 -10.726 1.00 0.21 H new ATOM 0 HA GLN A 32 -11.704 2.468 -11.548 1.00 0.23 H new ATOM 0 HB2 GLN A 32 -10.623 0.501 -12.409 1.00 0.26 H new ATOM 0 HB3 GLN A 32 -9.645 1.898 -12.812 1.00 0.26 H new ATOM 0 HG2 GLN A 32 -8.137 1.413 -10.917 1.00 0.29 H new ATOM 0 HG3 GLN A 32 -9.130 0.043 -10.462 1.00 0.29 H new ATOM 0 HE21 GLN A 32 -7.467 -1.477 -10.795 1.00 0.75 H new ATOM 0 HE22 GLN A 32 -6.834 -1.832 -12.406 1.00 0.75 H new ATOM 352 N HIS A 33 -10.601 1.639 -8.667 1.00 0.17 N ATOM 353 CA HIS A 33 -10.941 1.008 -7.394 1.00 0.16 C ATOM 354 C HIS A 33 -11.996 1.847 -6.703 1.00 0.16 C ATOM 355 O HIS A 33 -12.142 1.847 -5.486 1.00 0.17 O ATOM 356 CB HIS A 33 -9.673 0.802 -6.546 1.00 0.16 C ATOM 357 CG HIS A 33 -8.703 -0.058 -7.277 1.00 0.16 C ATOM 358 ND1 HIS A 33 -9.010 -1.349 -7.612 1.00 0.21 N ATOM 359 CD2 HIS A 33 -7.486 0.205 -7.842 1.00 0.22 C ATOM 360 CE1 HIS A 33 -8.053 -1.853 -8.346 1.00 0.27 C ATOM 361 NE2 HIS A 33 -7.113 -0.935 -8.515 1.00 0.28 N ATOM 0 H HIS A 33 -9.869 2.346 -8.601 1.00 0.17 H new ATOM 0 HA HIS A 33 -11.361 0.015 -7.552 1.00 0.16 H new ATOM 0 HB2 HIS A 33 -9.217 1.766 -6.319 1.00 0.16 H new ATOM 0 HB3 HIS A 33 -9.934 0.341 -5.594 1.00 0.16 H new ATOM 0 HD1 HIS A 33 -9.857 -1.843 -7.331 1.00 0.21 H new ATOM 0 HD2 HIS A 33 -6.927 1.127 -7.773 1.00 0.22 H new ATOM 0 HE1 HIS A 33 -8.032 -2.855 -8.749 1.00 0.27 H new ATOM 370 N LYS A 34 -12.716 2.579 -7.538 1.00 0.19 N ATOM 371 CA LYS A 34 -13.902 3.298 -7.141 1.00 0.19 C ATOM 372 C LYS A 34 -15.066 2.328 -7.023 1.00 0.21 C ATOM 373 O LYS A 34 -15.553 1.808 -8.031 1.00 0.33 O ATOM 374 CB LYS A 34 -14.252 4.335 -8.203 1.00 0.22 C ATOM 375 CG LYS A 34 -13.728 5.723 -7.950 1.00 0.28 C ATOM 376 CD LYS A 34 -14.244 6.658 -9.027 1.00 0.69 C ATOM 377 CE LYS A 34 -13.736 8.061 -8.835 1.00 1.01 C ATOM 378 NZ LYS A 34 -14.351 8.729 -7.655 1.00 1.56 N ATOM 0 H LYS A 34 -12.484 2.688 -8.525 1.00 0.19 H new ATOM 0 HA LYS A 34 -13.717 3.787 -6.184 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -13.868 3.990 -9.163 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.337 4.386 -8.293 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.047 6.071 -6.967 1.00 0.28 H new ATOM 0 HG3 LYS A 34 -12.638 5.718 -7.948 1.00 0.28 H new ATOM 0 HD2 LYS A 34 -13.937 6.290 -10.006 1.00 0.69 H new ATOM 0 HD3 LYS A 34 -15.334 6.661 -9.015 1.00 0.69 H new ATOM 0 HE2 LYS A 34 -12.653 8.039 -8.714 1.00 1.01 H new ATOM 0 HE3 LYS A 34 -13.945 8.646 -9.731 1.00 1.01 H new ATOM 0 HZ1 LYS A 34 -14.035 9.719 -7.613 1.00 1.56 H new ATOM 0 HZ2 LYS A 34 -15.387 8.699 -7.740 1.00 1.56 H new ATOM 0 HZ3 LYS A 34 -14.061 8.236 -6.787 1.00 1.56 H new ATOM 392 N GLY A 35 -15.508 2.075 -5.815 1.00 0.18 N ATOM 393 CA GLY A 35 -16.638 1.201 -5.625 1.00 0.20 C ATOM 394 C GLY A 35 -16.325 0.052 -4.700 1.00 0.17 C ATOM 395 O GLY A 35 -17.174 -0.355 -3.905 1.00 0.20 O ATOM 0 H GLY A 35 -15.108 2.457 -4.958 1.00 0.18 H new ATOM 0 HA2 GLY A 35 -17.473 1.773 -5.220 1.00 0.20 H new ATOM 0 HA3 GLY A 35 -16.958 0.810 -6.591 1.00 0.20 H new ATOM 399 N SER A 36 -15.119 -0.491 -4.795 1.00 0.16 N ATOM 400 CA SER A 36 -14.677 -1.473 -3.843 1.00 0.16 C ATOM 401 C SER A 36 -13.349 -1.034 -3.274 1.00 0.14 C ATOM 402 O SER A 36 -12.472 -0.590 -4.012 1.00 0.16 O ATOM 403 CB SER A 36 -14.542 -2.838 -4.501 1.00 0.20 C ATOM 404 OG SER A 36 -15.733 -3.194 -5.176 1.00 0.29 O ATOM 0 H SER A 36 -14.440 -0.263 -5.521 1.00 0.16 H new ATOM 0 HA SER A 36 -15.413 -1.558 -3.043 1.00 0.16 H new ATOM 0 HB2 SER A 36 -13.710 -2.826 -5.205 1.00 0.20 H new ATOM 0 HB3 SER A 36 -14.309 -3.589 -3.746 1.00 0.20 H new ATOM 0 HG SER A 36 -15.832 -4.169 -5.173 1.00 0.29 H new ATOM 410 N PRO A 37 -13.217 -1.115 -1.947 1.00 0.12 N ATOM 411 CA PRO A 37 -11.992 -0.802 -1.228 1.00 0.12 C ATOM 412 C PRO A 37 -10.764 -1.383 -1.887 1.00 0.12 C ATOM 413 O PRO A 37 -10.835 -2.335 -2.658 1.00 0.15 O ATOM 414 CB PRO A 37 -12.214 -1.440 0.155 1.00 0.15 C ATOM 415 CG PRO A 37 -13.466 -2.221 0.024 1.00 0.18 C ATOM 416 CD PRO A 37 -14.259 -1.510 -1.016 1.00 0.15 C ATOM 0 HA PRO A 37 -11.809 0.272 -1.194 1.00 0.12 H new ATOM 0 HB2 PRO A 37 -11.377 -2.081 0.432 1.00 0.15 H new ATOM 0 HB3 PRO A 37 -12.303 -0.679 0.930 1.00 0.15 H new ATOM 0 HG2 PRO A 37 -13.260 -3.250 -0.272 1.00 0.18 H new ATOM 0 HG3 PRO A 37 -14.005 -2.264 0.970 1.00 0.18 H new ATOM 0 HD2 PRO A 37 -15.002 -2.158 -1.481 1.00 0.15 H new ATOM 0 HD3 PRO A 37 -14.794 -0.652 -0.610 1.00 0.15 H new ATOM 424 N LEU A 38 -9.649 -0.786 -1.569 1.00 0.14 N ATOM 425 CA LEU A 38 -8.367 -1.170 -2.097 1.00 0.13 C ATOM 426 C LEU A 38 -7.338 -0.955 -0.991 1.00 0.13 C ATOM 427 O LEU A 38 -7.444 -0.019 -0.231 1.00 0.20 O ATOM 428 CB LEU A 38 -8.015 -0.356 -3.353 1.00 0.16 C ATOM 429 CG LEU A 38 -8.069 1.169 -3.237 1.00 0.20 C ATOM 430 CD1 LEU A 38 -7.417 1.803 -4.446 1.00 0.31 C ATOM 431 CD2 LEU A 38 -9.500 1.676 -3.117 1.00 0.26 C ATOM 0 H LEU A 38 -9.604 -0.000 -0.920 1.00 0.14 H new ATOM 0 HA LEU A 38 -8.381 -2.216 -2.404 1.00 0.13 H new ATOM 0 HB2 LEU A 38 -7.009 -0.635 -3.665 1.00 0.16 H new ATOM 0 HB3 LEU A 38 -8.692 -0.658 -4.152 1.00 0.16 H new ATOM 0 HG LEU A 38 -7.530 1.447 -2.331 1.00 0.20 H new ATOM 0 HD11 LEU A 38 -7.460 2.888 -4.355 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -6.376 1.485 -4.507 1.00 0.31 H new ATOM 0 HD13 LEU A 38 -7.944 1.493 -5.348 1.00 0.31 H new ATOM 0 HD21 LEU A 38 -9.495 2.763 -3.037 1.00 0.26 H new ATOM 0 HD22 LEU A 38 -10.066 1.380 -4.000 1.00 0.26 H new ATOM 0 HD23 LEU A 38 -9.964 1.249 -2.228 1.00 0.26 H new ATOM 443 N LEU A 39 -6.383 -1.832 -0.862 1.00 0.18 N ATOM 444 CA LEU A 39 -5.353 -1.687 0.140 1.00 0.19 C ATOM 445 C LEU A 39 -4.075 -1.279 -0.534 1.00 0.18 C ATOM 446 O LEU A 39 -3.506 -2.032 -1.319 1.00 0.21 O ATOM 447 CB LEU A 39 -5.099 -2.988 0.883 1.00 0.23 C ATOM 448 CG LEU A 39 -5.860 -3.228 2.194 1.00 0.35 C ATOM 449 CD1 LEU A 39 -5.223 -2.465 3.335 1.00 1.10 C ATOM 450 CD2 LEU A 39 -7.321 -2.854 2.062 1.00 1.19 C ATOM 0 H LEU A 39 -6.292 -2.665 -1.443 1.00 0.18 H new ATOM 0 HA LEU A 39 -5.687 -0.937 0.856 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -5.332 -3.810 0.206 1.00 0.23 H new ATOM 0 HB3 LEU A 39 -4.032 -3.046 1.100 1.00 0.23 H new ATOM 0 HG LEU A 39 -5.803 -4.294 2.414 1.00 0.35 H new ATOM 0 HD11 LEU A 39 -5.780 -2.651 4.253 1.00 1.10 H new ATOM 0 HD12 LEU A 39 -4.192 -2.795 3.463 1.00 1.10 H new ATOM 0 HD13 LEU A 39 -5.237 -1.398 3.112 1.00 1.10 H new ATOM 0 HD21 LEU A 39 -7.830 -3.036 3.008 1.00 1.19 H new ATOM 0 HD22 LEU A 39 -7.404 -1.799 1.803 1.00 1.19 H new ATOM 0 HD23 LEU A 39 -7.782 -3.457 1.280 1.00 1.19 H new ATOM 462 N ILE A 40 -3.647 -0.085 -0.262 1.00 0.19 N ATOM 463 CA ILE A 40 -2.397 0.382 -0.802 1.00 0.20 C ATOM 464 C ILE A 40 -1.297 0.185 0.228 1.00 0.18 C ATOM 465 O ILE A 40 -1.414 0.646 1.367 1.00 0.20 O ATOM 466 CB ILE A 40 -2.505 1.851 -1.208 1.00 0.23 C ATOM 467 CG1 ILE A 40 -3.928 2.152 -1.667 1.00 0.30 C ATOM 468 CG2 ILE A 40 -1.516 2.173 -2.319 1.00 0.37 C ATOM 469 CD1 ILE A 40 -4.043 3.505 -2.307 1.00 0.35 C ATOM 0 H ILE A 40 -4.139 0.586 0.328 1.00 0.19 H new ATOM 0 HA ILE A 40 -2.153 -0.194 -1.695 1.00 0.20 H new ATOM 0 HB ILE A 40 -2.266 2.473 -0.346 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -4.249 1.388 -2.376 1.00 0.30 H new ATOM 0 HG13 ILE A 40 -4.603 2.097 -0.813 1.00 0.30 H new ATOM 0 HG21 ILE A 40 -1.608 3.224 -2.595 1.00 0.37 H new ATOM 0 HG22 ILE A 40 -0.502 1.976 -1.972 1.00 0.37 H new ATOM 0 HG23 ILE A 40 -1.729 1.550 -3.188 1.00 0.37 H new ATOM 0 HD11 ILE A 40 -5.074 3.674 -2.617 1.00 0.35 H new ATOM 0 HD12 ILE A 40 -3.749 4.272 -1.591 1.00 0.35 H new ATOM 0 HD13 ILE A 40 -3.389 3.552 -3.178 1.00 0.35 H new ATOM 481 N TYR A 41 -0.249 -0.531 -0.157 1.00 0.18 N ATOM 482 CA TYR A 41 0.807 -0.883 0.777 1.00 0.19 C ATOM 483 C TYR A 41 2.087 -0.137 0.441 1.00 0.20 C ATOM 484 O TYR A 41 2.516 -0.139 -0.704 1.00 0.27 O ATOM 485 CB TYR A 41 1.148 -2.391 0.742 1.00 0.20 C ATOM 486 CG TYR A 41 0.047 -3.371 1.095 1.00 0.20 C ATOM 487 CD1 TYR A 41 -1.275 -3.130 0.784 1.00 0.27 C ATOM 488 CD2 TYR A 41 0.362 -4.580 1.712 1.00 0.29 C ATOM 489 CE1 TYR A 41 -2.250 -4.058 1.071 1.00 0.32 C ATOM 490 CE2 TYR A 41 -0.616 -5.509 2.010 1.00 0.35 C ATOM 491 CZ TYR A 41 -1.920 -5.240 1.683 1.00 0.33 C ATOM 492 OH TYR A 41 -2.899 -6.165 1.943 1.00 0.42 O ATOM 0 H TYR A 41 -0.109 -0.877 -1.106 1.00 0.18 H new ATOM 0 HA TYR A 41 0.432 -0.614 1.765 1.00 0.19 H new ATOM 0 HB2 TYR A 41 1.502 -2.631 -0.260 1.00 0.20 H new ATOM 0 HB3 TYR A 41 1.981 -2.562 1.424 1.00 0.20 H new ATOM 0 HD1 TYR A 41 -1.549 -2.200 0.308 1.00 0.27 H new ATOM 0 HD2 TYR A 41 1.390 -4.795 1.962 1.00 0.29 H new ATOM 0 HE1 TYR A 41 -3.279 -3.855 0.813 1.00 0.32 H new ATOM 0 HE2 TYR A 41 -0.356 -6.438 2.496 1.00 0.35 H new ATOM 0 HH TYR A 41 -3.704 -5.942 1.430 1.00 0.42 H new ATOM 502 N ASN A 42 2.703 0.478 1.428 1.00 0.28 N ATOM 503 CA ASN A 42 4.066 0.966 1.268 1.00 0.34 C ATOM 504 C ASN A 42 4.966 -0.251 1.432 1.00 0.37 C ATOM 505 O ASN A 42 4.942 -0.917 2.454 1.00 0.54 O ATOM 506 CB ASN A 42 4.381 2.051 2.319 1.00 0.46 C ATOM 507 CG ASN A 42 4.945 1.517 3.623 1.00 1.50 C ATOM 508 OD1 ASN A 42 4.208 1.132 4.520 1.00 2.27 O ATOM 509 ND2 ASN A 42 6.262 1.515 3.746 1.00 2.35 N ATOM 0 H ASN A 42 2.290 0.653 2.344 1.00 0.28 H new ATOM 0 HA ASN A 42 4.218 1.433 0.295 1.00 0.34 H new ATOM 0 HB2 ASN A 42 5.093 2.757 1.892 1.00 0.46 H new ATOM 0 HB3 ASN A 42 3.469 2.608 2.533 1.00 0.46 H new ATOM 0 HD21 ASN A 42 6.693 1.185 4.610 1.00 2.35 H new ATOM 0 HD22 ASN A 42 6.847 1.843 2.977 1.00 2.35 H new ATOM 516 N VAL A 43 5.702 -0.609 0.413 1.00 0.36 N ATOM 517 CA VAL A 43 6.439 -1.851 0.469 1.00 0.38 C ATOM 518 C VAL A 43 7.901 -1.642 0.174 1.00 0.42 C ATOM 519 O VAL A 43 8.279 -0.663 -0.463 1.00 0.50 O ATOM 520 CB VAL A 43 5.857 -2.908 -0.490 1.00 0.39 C ATOM 521 CG1 VAL A 43 4.433 -3.243 -0.112 1.00 1.03 C ATOM 522 CG2 VAL A 43 5.918 -2.443 -1.929 1.00 0.98 C ATOM 0 H VAL A 43 5.809 -0.075 -0.449 1.00 0.36 H new ATOM 0 HA VAL A 43 6.340 -2.223 1.489 1.00 0.38 H new ATOM 0 HB VAL A 43 6.468 -3.806 -0.399 1.00 0.39 H new ATOM 0 HG11 VAL A 43 4.040 -3.991 -0.801 1.00 1.03 H new ATOM 0 HG12 VAL A 43 4.409 -3.637 0.904 1.00 1.03 H new ATOM 0 HG13 VAL A 43 3.821 -2.343 -0.166 1.00 1.03 H new ATOM 0 HG21 VAL A 43 5.500 -3.212 -2.578 1.00 0.98 H new ATOM 0 HG22 VAL A 43 5.343 -1.523 -2.039 1.00 0.98 H new ATOM 0 HG23 VAL A 43 6.955 -2.258 -2.208 1.00 0.98 H new ATOM 532 N ALA A 44 8.716 -2.558 0.671 1.00 0.50 N ATOM 533 CA ALA A 44 10.136 -2.535 0.409 1.00 0.59 C ATOM 534 C ALA A 44 10.490 -3.592 -0.624 1.00 0.58 C ATOM 535 O ALA A 44 10.469 -4.790 -0.337 1.00 0.88 O ATOM 536 CB ALA A 44 10.927 -2.740 1.693 1.00 0.83 C ATOM 0 H ALA A 44 8.410 -3.331 1.262 1.00 0.50 H new ATOM 0 HA ALA A 44 10.403 -1.556 0.010 1.00 0.59 H new ATOM 0 HB1 ALA A 44 11.994 -2.719 1.470 1.00 0.83 H new ATOM 0 HB2 ALA A 44 10.688 -1.945 2.399 1.00 0.83 H new ATOM 0 HB3 ALA A 44 10.667 -3.704 2.131 1.00 0.83 H new ATOM 542 N SER A 45 10.712 -3.109 -1.841 1.00 0.57 N ATOM 543 CA SER A 45 11.189 -3.906 -2.986 1.00 0.63 C ATOM 544 C SER A 45 12.042 -5.108 -2.574 1.00 1.01 C ATOM 545 O SER A 45 12.900 -5.010 -1.698 1.00 1.78 O ATOM 546 CB SER A 45 11.989 -3.014 -3.941 1.00 0.73 C ATOM 547 OG SER A 45 12.276 -1.756 -3.351 1.00 1.62 O ATOM 0 H SER A 45 10.564 -2.127 -2.074 1.00 0.57 H new ATOM 0 HA SER A 45 10.302 -4.302 -3.482 1.00 0.63 H new ATOM 0 HB2 SER A 45 12.920 -3.512 -4.213 1.00 0.73 H new ATOM 0 HB3 SER A 45 11.425 -2.866 -4.862 1.00 0.73 H new ATOM 0 HG SER A 45 11.494 -1.171 -3.431 1.00 1.62 H new ATOM 553 N LYS A 46 11.801 -6.221 -3.265 1.00 1.32 N ATOM 554 CA LYS A 46 12.380 -7.518 -2.934 1.00 1.69 C ATOM 555 C LYS A 46 13.906 -7.486 -2.861 1.00 1.14 C ATOM 556 O LYS A 46 14.596 -7.561 -3.881 1.00 1.47 O ATOM 557 CB LYS A 46 11.923 -8.549 -3.969 1.00 2.68 C ATOM 558 CG LYS A 46 12.461 -9.950 -3.733 1.00 3.45 C ATOM 559 CD LYS A 46 11.997 -10.900 -4.822 1.00 4.39 C ATOM 560 CE LYS A 46 12.640 -12.268 -4.681 1.00 5.19 C ATOM 561 NZ LYS A 46 12.154 -13.209 -5.721 1.00 5.84 N ATOM 0 H LYS A 46 11.190 -6.245 -4.081 1.00 1.32 H new ATOM 0 HA LYS A 46 12.028 -7.793 -1.940 1.00 1.69 H new ATOM 0 HB2 LYS A 46 10.834 -8.586 -3.972 1.00 2.68 H new ATOM 0 HB3 LYS A 46 12.233 -8.215 -4.959 1.00 2.68 H new ATOM 0 HG2 LYS A 46 13.550 -9.926 -3.706 1.00 3.45 H new ATOM 0 HG3 LYS A 46 12.126 -10.313 -2.761 1.00 3.45 H new ATOM 0 HD2 LYS A 46 10.913 -11.001 -4.780 1.00 4.39 H new ATOM 0 HD3 LYS A 46 12.240 -10.482 -5.799 1.00 4.39 H new ATOM 0 HE2 LYS A 46 13.723 -12.171 -4.755 1.00 5.19 H new ATOM 0 HE3 LYS A 46 12.423 -12.673 -3.693 1.00 5.19 H new ATOM 0 HZ1 LYS A 46 12.614 -14.133 -5.595 1.00 5.84 H new ATOM 0 HZ2 LYS A 46 11.124 -13.320 -5.634 1.00 5.84 H new ATOM 0 HZ3 LYS A 46 12.384 -12.834 -6.663 1.00 5.84 H new ATOM 575 N CYS A 47 14.405 -7.337 -1.642 1.00 1.21 N ATOM 576 CA CYS A 47 15.813 -7.510 -1.333 1.00 1.53 C ATOM 577 C CYS A 47 15.972 -7.659 0.174 1.00 1.99 C ATOM 578 O CYS A 47 15.588 -6.772 0.937 1.00 2.46 O ATOM 579 CB CYS A 47 16.654 -6.335 -1.854 1.00 2.04 C ATOM 580 SG CYS A 47 18.397 -6.397 -1.378 1.00 3.55 S ATOM 0 H CYS A 47 13.836 -7.090 -0.833 1.00 1.21 H new ATOM 0 HA CYS A 47 16.176 -8.408 -1.833 1.00 1.53 H new ATOM 0 HB2 CYS A 47 16.587 -6.310 -2.942 1.00 2.04 H new ATOM 0 HB3 CYS A 47 16.222 -5.404 -1.487 1.00 2.04 H new ATOM 0 HG CYS A 47 18.491 -6.487 -0.085 1.00 3.55 H new ATOM 586 N GLY A 48 16.485 -8.802 0.602 1.00 2.39 N ATOM 587 CA GLY A 48 16.702 -9.032 2.014 1.00 2.91 C ATOM 588 C GLY A 48 15.620 -9.892 2.638 1.00 2.40 C ATOM 589 O GLY A 48 15.845 -11.069 2.926 1.00 2.46 O ATOM 0 H GLY A 48 16.755 -9.576 -0.005 1.00 2.39 H new ATOM 0 HA2 GLY A 48 17.670 -9.513 2.155 1.00 2.91 H new ATOM 0 HA3 GLY A 48 16.743 -8.074 2.532 1.00 2.91 H new ATOM 593 N TYR A 49 14.444 -9.312 2.849 1.00 2.15 N ATOM 594 CA TYR A 49 13.335 -10.032 3.468 1.00 1.79 C ATOM 595 C TYR A 49 12.011 -9.301 3.255 1.00 1.42 C ATOM 596 O TYR A 49 11.944 -8.072 3.323 1.00 1.67 O ATOM 597 CB TYR A 49 13.597 -10.229 4.970 1.00 2.10 C ATOM 598 CG TYR A 49 12.458 -10.892 5.720 1.00 2.40 C ATOM 599 CD1 TYR A 49 12.117 -12.212 5.465 1.00 2.66 C ATOM 600 CD2 TYR A 49 11.728 -10.200 6.682 1.00 3.01 C ATOM 601 CE1 TYR A 49 11.085 -12.829 6.144 1.00 3.26 C ATOM 602 CE2 TYR A 49 10.694 -10.813 7.368 1.00 3.74 C ATOM 603 CZ TYR A 49 10.357 -12.088 7.098 1.00 3.76 C ATOM 604 OH TYR A 49 9.355 -12.749 7.778 1.00 4.63 O ATOM 0 H TYR A 49 14.233 -8.345 2.601 1.00 2.15 H new ATOM 0 HA TYR A 49 13.262 -11.009 2.989 1.00 1.79 H new ATOM 0 HB2 TYR A 49 14.497 -10.831 5.094 1.00 2.10 H new ATOM 0 HB3 TYR A 49 13.798 -9.258 5.422 1.00 2.10 H new ATOM 0 HD1 TYR A 49 12.669 -12.768 4.721 1.00 2.66 H new ATOM 0 HD2 TYR A 49 11.972 -9.170 6.896 1.00 3.01 H new ATOM 0 HE1 TYR A 49 10.839 -13.862 5.948 1.00 3.26 H new ATOM 0 HE2 TYR A 49 10.154 -10.264 8.125 1.00 3.74 H new ATOM 0 HH TYR A 49 8.927 -12.133 8.409 1.00 4.63 H new ATOM 614 N THR A 50 10.971 -10.077 2.975 1.00 1.05 N ATOM 615 CA THR A 50 9.617 -9.566 2.838 1.00 0.81 C ATOM 616 C THR A 50 8.717 -10.185 3.910 1.00 0.77 C ATOM 617 O THR A 50 8.671 -11.410 4.048 1.00 1.44 O ATOM 618 CB THR A 50 9.052 -9.899 1.441 1.00 1.09 C ATOM 619 OG1 THR A 50 9.322 -11.272 1.118 1.00 1.93 O ATOM 620 CG2 THR A 50 9.658 -8.992 0.378 1.00 1.87 C ATOM 0 H THR A 50 11.046 -11.085 2.836 1.00 1.05 H new ATOM 0 HA THR A 50 9.642 -8.483 2.961 1.00 0.81 H new ATOM 0 HB THR A 50 7.975 -9.735 1.461 1.00 1.09 H new ATOM 0 HG1 THR A 50 9.281 -11.814 1.933 1.00 1.93 H new ATOM 0 HG21 THR A 50 9.243 -9.247 -0.597 1.00 1.87 H new ATOM 0 HG22 THR A 50 9.425 -7.953 0.611 1.00 1.87 H new ATOM 0 HG23 THR A 50 10.740 -9.126 0.359 1.00 1.87 H new ATOM 628 N LYS A 51 8.014 -9.353 4.688 1.00 0.61 N ATOM 629 CA LYS A 51 7.109 -9.858 5.709 1.00 0.56 C ATOM 630 C LYS A 51 5.939 -10.590 5.052 1.00 0.76 C ATOM 631 O LYS A 51 5.738 -10.479 3.837 1.00 1.55 O ATOM 632 CB LYS A 51 6.591 -8.700 6.568 1.00 0.59 C ATOM 633 CG LYS A 51 6.745 -8.929 8.064 1.00 1.22 C ATOM 634 CD LYS A 51 8.200 -8.849 8.503 1.00 1.39 C ATOM 635 CE LYS A 51 8.714 -7.415 8.487 1.00 1.46 C ATOM 636 NZ LYS A 51 10.154 -7.322 8.861 1.00 2.01 N ATOM 0 H LYS A 51 8.058 -8.336 4.626 1.00 0.61 H new ATOM 0 HA LYS A 51 7.648 -10.557 6.348 1.00 0.56 H new ATOM 0 HB2 LYS A 51 7.123 -7.789 6.293 1.00 0.59 H new ATOM 0 HB3 LYS A 51 5.538 -8.535 6.342 1.00 0.59 H new ATOM 0 HG2 LYS A 51 6.160 -8.186 8.607 1.00 1.22 H new ATOM 0 HG3 LYS A 51 6.340 -9.907 8.325 1.00 1.22 H new ATOM 0 HD2 LYS A 51 8.301 -9.261 9.507 1.00 1.39 H new ATOM 0 HD3 LYS A 51 8.814 -9.463 7.844 1.00 1.39 H new ATOM 0 HE2 LYS A 51 8.572 -6.992 7.492 1.00 1.46 H new ATOM 0 HE3 LYS A 51 8.123 -6.813 9.177 1.00 1.46 H new ATOM 0 HZ1 LYS A 51 10.456 -6.327 8.835 1.00 2.01 H new ATOM 0 HZ2 LYS A 51 10.289 -7.700 9.821 1.00 2.01 H new ATOM 0 HZ3 LYS A 51 10.724 -7.874 8.188 1.00 2.01 H new ATOM 650 N GLY A 52 5.166 -11.321 5.859 1.00 0.45 N ATOM 651 CA GLY A 52 4.025 -12.076 5.362 1.00 0.51 C ATOM 652 C GLY A 52 3.015 -11.230 4.607 1.00 0.41 C ATOM 653 O GLY A 52 2.113 -11.766 3.968 1.00 0.41 O ATOM 0 H GLY A 52 5.315 -11.403 6.865 1.00 0.45 H new ATOM 0 HA2 GLY A 52 4.383 -12.869 4.706 1.00 0.51 H new ATOM 0 HA3 GLY A 52 3.526 -12.558 6.202 1.00 0.51 H new ATOM 657 N GLY A 53 3.173 -9.909 4.676 1.00 0.44 N ATOM 658 CA GLY A 53 2.334 -9.002 3.915 1.00 0.50 C ATOM 659 C GLY A 53 2.355 -9.299 2.430 1.00 0.36 C ATOM 660 O GLY A 53 1.425 -8.947 1.718 1.00 0.32 O ATOM 0 H GLY A 53 3.877 -9.449 5.253 1.00 0.44 H new ATOM 0 HA2 GLY A 53 1.309 -9.067 4.281 1.00 0.50 H new ATOM 0 HA3 GLY A 53 2.667 -7.978 4.082 1.00 0.50 H new ATOM 664 N TYR A 54 3.420 -9.936 1.952 1.00 0.37 N ATOM 665 CA TYR A 54 3.499 -10.347 0.557 1.00 0.36 C ATOM 666 C TYR A 54 2.408 -11.371 0.270 1.00 0.26 C ATOM 667 O TYR A 54 1.638 -11.230 -0.679 1.00 0.25 O ATOM 668 CB TYR A 54 4.868 -10.955 0.273 1.00 0.45 C ATOM 669 CG TYR A 54 5.350 -10.780 -1.151 1.00 0.41 C ATOM 670 CD1 TYR A 54 4.442 -10.825 -2.191 1.00 0.45 C ATOM 671 CD2 TYR A 54 6.695 -10.568 -1.457 1.00 0.53 C ATOM 672 CE1 TYR A 54 4.840 -10.665 -3.495 1.00 0.46 C ATOM 673 CE2 TYR A 54 7.110 -10.401 -2.770 1.00 0.65 C ATOM 674 CZ TYR A 54 6.300 -10.468 -3.743 1.00 0.56 C ATOM 675 OH TYR A 54 6.565 -10.275 -5.094 1.00 0.70 O ATOM 0 H TYR A 54 4.238 -10.178 2.511 1.00 0.37 H new ATOM 0 HA TYR A 54 3.358 -9.478 -0.086 1.00 0.36 H new ATOM 0 HB2 TYR A 54 5.597 -10.507 0.948 1.00 0.45 H new ATOM 0 HB3 TYR A 54 4.833 -12.020 0.503 1.00 0.45 H new ATOM 0 HD1 TYR A 54 3.397 -10.990 -1.974 1.00 0.45 H new ATOM 0 HD2 TYR A 54 7.423 -10.533 -0.660 1.00 0.53 H new ATOM 0 HE1 TYR A 54 4.128 -10.681 -4.307 1.00 0.46 H new ATOM 0 HE2 TYR A 54 8.154 -10.208 -2.969 1.00 0.65 H new ATOM 0 HH TYR A 54 6.410 -9.336 -5.327 1.00 0.70 H new ATOM 685 N GLU A 55 2.343 -12.386 1.125 1.00 0.25 N ATOM 686 CA GLU A 55 1.330 -13.433 1.037 1.00 0.27 C ATOM 687 C GLU A 55 -0.053 -12.827 1.206 1.00 0.22 C ATOM 688 O GLU A 55 -1.046 -13.302 0.646 1.00 0.25 O ATOM 689 CB GLU A 55 1.563 -14.457 2.149 1.00 0.36 C ATOM 690 CG GLU A 55 2.992 -14.949 2.230 1.00 1.14 C ATOM 691 CD GLU A 55 3.426 -15.703 0.992 1.00 1.92 C ATOM 692 OE1 GLU A 55 3.002 -16.864 0.825 1.00 2.39 O ATOM 693 OE2 GLU A 55 4.199 -15.146 0.189 1.00 2.61 O ATOM 0 H GLU A 55 2.993 -12.507 1.901 1.00 0.25 H new ATOM 0 HA GLU A 55 1.399 -13.917 0.063 1.00 0.27 H new ATOM 0 HB2 GLU A 55 1.286 -14.012 3.105 1.00 0.36 H new ATOM 0 HB3 GLU A 55 0.902 -15.309 1.991 1.00 0.36 H new ATOM 0 HG2 GLU A 55 3.656 -14.098 2.382 1.00 1.14 H new ATOM 0 HG3 GLU A 55 3.099 -15.597 3.100 1.00 1.14 H new ATOM 700 N THR A 56 -0.082 -11.750 1.970 1.00 0.25 N ATOM 701 CA THR A 56 -1.303 -11.079 2.340 1.00 0.24 C ATOM 702 C THR A 56 -1.857 -10.318 1.158 1.00 0.21 C ATOM 703 O THR A 56 -2.961 -10.580 0.691 1.00 0.22 O ATOM 704 CB THR A 56 -1.027 -10.112 3.507 1.00 0.26 C ATOM 705 OG1 THR A 56 -0.607 -10.855 4.655 1.00 0.33 O ATOM 706 CG2 THR A 56 -2.246 -9.282 3.843 1.00 0.25 C ATOM 0 H THR A 56 0.757 -11.315 2.354 1.00 0.25 H new ATOM 0 HA THR A 56 -2.038 -11.821 2.653 1.00 0.24 H new ATOM 0 HB THR A 56 -0.236 -9.427 3.201 1.00 0.26 H new ATOM 0 HG1 THR A 56 -0.234 -10.242 5.323 1.00 0.33 H new ATOM 0 HG21 THR A 56 -2.013 -8.612 4.671 1.00 0.25 H new ATOM 0 HG22 THR A 56 -2.538 -8.695 2.972 1.00 0.25 H new ATOM 0 HG23 THR A 56 -3.067 -9.940 4.129 1.00 0.25 H new ATOM 714 N ALA A 57 -1.051 -9.410 0.666 1.00 0.19 N ATOM 715 CA ALA A 57 -1.404 -8.564 -0.445 1.00 0.20 C ATOM 716 C ALA A 57 -1.733 -9.390 -1.681 1.00 0.19 C ATOM 717 O ALA A 57 -2.715 -9.119 -2.375 1.00 0.22 O ATOM 718 CB ALA A 57 -0.250 -7.625 -0.715 1.00 0.22 C ATOM 0 H ALA A 57 -0.115 -9.236 1.033 1.00 0.19 H new ATOM 0 HA ALA A 57 -2.297 -7.990 -0.198 1.00 0.20 H new ATOM 0 HB1 ALA A 57 -0.498 -6.975 -1.554 1.00 0.22 H new ATOM 0 HB2 ALA A 57 -0.060 -7.018 0.170 1.00 0.22 H new ATOM 0 HB3 ALA A 57 0.642 -8.204 -0.956 1.00 0.22 H new ATOM 724 N THR A 58 -0.910 -10.406 -1.932 1.00 0.17 N ATOM 725 CA THR A 58 -1.092 -11.288 -3.076 1.00 0.17 C ATOM 726 C THR A 58 -2.495 -11.904 -3.064 1.00 0.17 C ATOM 727 O THR A 58 -3.287 -11.726 -3.994 1.00 0.19 O ATOM 728 CB THR A 58 -0.047 -12.419 -3.051 1.00 0.20 C ATOM 729 OG1 THR A 58 1.269 -11.876 -3.222 1.00 0.24 O ATOM 730 CG2 THR A 58 -0.313 -13.465 -4.124 1.00 0.26 C ATOM 0 H THR A 58 -0.104 -10.638 -1.351 1.00 0.17 H new ATOM 0 HA THR A 58 -0.967 -10.695 -3.982 1.00 0.17 H new ATOM 0 HB THR A 58 -0.121 -12.910 -2.081 1.00 0.20 H new ATOM 0 HG1 THR A 58 1.602 -11.547 -2.361 1.00 0.24 H new ATOM 0 HG21 THR A 58 0.448 -14.244 -4.070 1.00 0.26 H new ATOM 0 HG22 THR A 58 -1.297 -13.907 -3.965 1.00 0.26 H new ATOM 0 HG23 THR A 58 -0.281 -12.994 -5.107 1.00 0.26 H new ATOM 738 N THR A 59 -2.788 -12.597 -1.971 1.00 0.16 N ATOM 739 CA THR A 59 -4.035 -13.323 -1.809 1.00 0.17 C ATOM 740 C THR A 59 -5.230 -12.378 -1.693 1.00 0.16 C ATOM 741 O THR A 59 -6.288 -12.647 -2.254 1.00 0.19 O ATOM 742 CB THR A 59 -3.973 -14.233 -0.565 1.00 0.20 C ATOM 743 OG1 THR A 59 -2.885 -15.158 -0.696 1.00 0.48 O ATOM 744 CG2 THR A 59 -5.269 -15.001 -0.373 1.00 0.46 C ATOM 0 H THR A 59 -2.162 -12.670 -1.169 1.00 0.16 H new ATOM 0 HA THR A 59 -4.170 -13.935 -2.701 1.00 0.17 H new ATOM 0 HB THR A 59 -3.820 -13.598 0.308 1.00 0.20 H new ATOM 0 HG1 THR A 59 -2.072 -14.763 -0.317 1.00 0.48 H new ATOM 0 HG21 THR A 59 -5.190 -15.632 0.512 1.00 0.46 H new ATOM 0 HG22 THR A 59 -6.093 -14.299 -0.246 1.00 0.46 H new ATOM 0 HG23 THR A 59 -5.455 -15.624 -1.247 1.00 0.46 H new ATOM 752 N LEU A 60 -5.048 -11.261 -0.996 1.00 0.13 N ATOM 753 CA LEU A 60 -6.125 -10.317 -0.768 1.00 0.13 C ATOM 754 C LEU A 60 -6.600 -9.744 -2.072 1.00 0.13 C ATOM 755 O LEU A 60 -7.794 -9.715 -2.364 1.00 0.15 O ATOM 756 CB LEU A 60 -5.648 -9.199 0.132 1.00 0.13 C ATOM 757 CG LEU A 60 -5.757 -9.510 1.607 1.00 0.14 C ATOM 758 CD1 LEU A 60 -5.153 -8.393 2.426 1.00 0.43 C ATOM 759 CD2 LEU A 60 -7.213 -9.714 1.983 1.00 0.35 C ATOM 0 H LEU A 60 -4.157 -10.991 -0.579 1.00 0.13 H new ATOM 0 HA LEU A 60 -6.952 -10.841 -0.288 1.00 0.13 H new ATOM 0 HB2 LEU A 60 -4.608 -8.973 -0.106 1.00 0.13 H new ATOM 0 HB3 LEU A 60 -6.227 -8.301 -0.083 1.00 0.13 H new ATOM 0 HG LEU A 60 -5.206 -10.426 1.817 1.00 0.14 H new ATOM 0 HD11 LEU A 60 -5.239 -8.632 3.486 1.00 0.43 H new ATOM 0 HD12 LEU A 60 -4.101 -8.278 2.164 1.00 0.43 H new ATOM 0 HD13 LEU A 60 -5.682 -7.463 2.219 1.00 0.43 H new ATOM 0 HD21 LEU A 60 -7.286 -9.938 3.047 1.00 0.35 H new ATOM 0 HD22 LEU A 60 -7.776 -8.807 1.764 1.00 0.35 H new ATOM 0 HD23 LEU A 60 -7.624 -10.544 1.409 1.00 0.35 H new ATOM 771 N TYR A 61 -5.645 -9.307 -2.860 1.00 0.14 N ATOM 772 CA TYR A 61 -5.930 -8.732 -4.144 1.00 0.15 C ATOM 773 C TYR A 61 -6.662 -9.723 -5.030 1.00 0.17 C ATOM 774 O TYR A 61 -7.672 -9.407 -5.603 1.00 0.22 O ATOM 775 CB TYR A 61 -4.649 -8.303 -4.823 1.00 0.17 C ATOM 776 CG TYR A 61 -4.926 -7.651 -6.144 1.00 0.18 C ATOM 777 CD1 TYR A 61 -6.014 -6.831 -6.326 1.00 0.16 C ATOM 778 CD2 TYR A 61 -4.083 -7.873 -7.210 1.00 0.28 C ATOM 779 CE1 TYR A 61 -6.270 -6.244 -7.550 1.00 0.18 C ATOM 780 CE2 TYR A 61 -4.324 -7.294 -8.436 1.00 0.31 C ATOM 781 CZ TYR A 61 -5.453 -6.411 -8.564 1.00 0.23 C ATOM 782 OH TYR A 61 -5.665 -5.904 -9.829 1.00 0.28 O ATOM 0 H TYR A 61 -4.653 -9.342 -2.625 1.00 0.14 H new ATOM 0 HA TYR A 61 -6.567 -7.862 -3.987 1.00 0.15 H new ATOM 0 HB2 TYR A 61 -4.108 -7.610 -4.179 1.00 0.17 H new ATOM 0 HB3 TYR A 61 -4.005 -9.170 -4.971 1.00 0.17 H new ATOM 0 HD1 TYR A 61 -6.681 -6.642 -5.497 1.00 0.16 H new ATOM 0 HD2 TYR A 61 -3.220 -8.510 -7.083 1.00 0.28 H new ATOM 0 HE1 TYR A 61 -7.156 -5.639 -7.675 1.00 0.18 H new ATOM 0 HE2 TYR A 61 -3.682 -7.497 -9.280 1.00 0.31 H new ATOM 0 HH TYR A 61 -4.920 -6.159 -10.413 1.00 0.28 H new ATOM 792 N ASN A 62 -6.157 -10.927 -5.112 1.00 0.18 N ATOM 793 CA ASN A 62 -6.687 -11.919 -6.026 1.00 0.22 C ATOM 794 C ASN A 62 -8.017 -12.447 -5.530 1.00 0.20 C ATOM 795 O ASN A 62 -8.831 -12.926 -6.315 1.00 0.24 O ATOM 796 CB ASN A 62 -5.688 -13.056 -6.260 1.00 0.27 C ATOM 797 CG ASN A 62 -4.604 -12.664 -7.249 1.00 0.75 C ATOM 798 OD1 ASN A 62 -4.186 -11.408 -7.203 1.00 1.21 O flip ATOM 799 ND2 ASN A 62 -4.131 -13.487 -8.032 1.00 1.12 N flip ATOM 0 H ASN A 62 -5.369 -11.252 -4.551 1.00 0.18 H new ATOM 0 HA ASN A 62 -6.854 -11.434 -6.988 1.00 0.22 H new ATOM 0 HB2 ASN A 62 -5.230 -13.337 -5.312 1.00 0.27 H new ATOM 0 HB3 ASN A 62 -6.217 -13.934 -6.631 1.00 0.27 H new ATOM 0 HD21 ASN A 62 -4.480 -14.445 -8.037 1.00 1.12 H new ATOM 0 HD22 ASN A 62 -3.390 -13.211 -8.676 1.00 1.12 H new ATOM 806 N LYS A 63 -8.242 -12.348 -4.225 1.00 0.18 N ATOM 807 CA LYS A 63 -9.455 -12.858 -3.644 1.00 0.20 C ATOM 808 C LYS A 63 -10.536 -11.808 -3.779 1.00 0.18 C ATOM 809 O LYS A 63 -11.724 -12.128 -3.825 1.00 0.22 O ATOM 810 CB LYS A 63 -9.219 -13.208 -2.168 1.00 0.26 C ATOM 811 CG LYS A 63 -10.394 -13.882 -1.471 1.00 0.29 C ATOM 812 CD LYS A 63 -10.023 -14.323 -0.059 1.00 0.64 C ATOM 813 CE LYS A 63 -8.808 -15.241 -0.043 1.00 0.91 C ATOM 814 NZ LYS A 63 -9.098 -16.582 -0.621 1.00 1.54 N ATOM 0 H LYS A 63 -7.597 -11.920 -3.561 1.00 0.18 H new ATOM 0 HA LYS A 63 -9.767 -13.765 -4.162 1.00 0.20 H new ATOM 0 HB2 LYS A 63 -8.351 -13.863 -2.100 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -8.971 -12.294 -1.628 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.238 -13.194 -1.429 1.00 0.29 H new ATOM 0 HG3 LYS A 63 -10.716 -14.747 -2.051 1.00 0.29 H new ATOM 0 HD2 LYS A 63 -9.820 -13.444 0.553 1.00 0.64 H new ATOM 0 HD3 LYS A 63 -10.871 -14.837 0.394 1.00 0.64 H new ATOM 0 HE2 LYS A 63 -7.997 -14.775 -0.603 1.00 0.91 H new ATOM 0 HE3 LYS A 63 -8.459 -15.359 0.983 1.00 0.91 H new ATOM 0 HZ1 LYS A 63 -8.239 -17.168 -0.587 1.00 1.54 H new ATOM 0 HZ2 LYS A 63 -9.853 -17.041 -0.072 1.00 1.54 H new ATOM 0 HZ3 LYS A 63 -9.405 -16.475 -1.609 1.00 1.54 H new ATOM 828 N TYR A 64 -10.130 -10.540 -3.871 1.00 0.16 N ATOM 829 CA TYR A 64 -11.106 -9.481 -3.787 1.00 0.16 C ATOM 830 C TYR A 64 -11.070 -8.466 -4.914 1.00 0.17 C ATOM 831 O TYR A 64 -11.929 -7.584 -4.971 1.00 0.17 O ATOM 832 CB TYR A 64 -11.025 -8.840 -2.417 1.00 0.15 C ATOM 833 CG TYR A 64 -11.509 -9.792 -1.360 1.00 0.17 C ATOM 834 CD1 TYR A 64 -12.797 -10.296 -1.432 1.00 0.19 C ATOM 835 CD2 TYR A 64 -10.696 -10.203 -0.317 1.00 0.19 C ATOM 836 CE1 TYR A 64 -13.268 -11.181 -0.501 1.00 0.23 C ATOM 837 CE2 TYR A 64 -11.161 -11.092 0.631 1.00 0.23 C ATOM 838 CZ TYR A 64 -12.450 -11.579 0.535 1.00 0.24 C ATOM 839 OH TYR A 64 -12.916 -12.479 1.465 1.00 0.31 O ATOM 0 H TYR A 64 -9.164 -10.239 -3.999 1.00 0.16 H new ATOM 0 HA TYR A 64 -12.083 -9.945 -3.921 1.00 0.16 H new ATOM 0 HB2 TYR A 64 -9.997 -8.547 -2.207 1.00 0.15 H new ATOM 0 HB3 TYR A 64 -11.626 -7.931 -2.398 1.00 0.15 H new ATOM 0 HD1 TYR A 64 -13.443 -9.984 -2.240 1.00 0.19 H new ATOM 0 HD2 TYR A 64 -9.687 -9.824 -0.245 1.00 0.19 H new ATOM 0 HE1 TYR A 64 -14.274 -11.565 -0.577 1.00 0.23 H new ATOM 0 HE2 TYR A 64 -10.521 -11.405 1.443 1.00 0.23 H new ATOM 0 HH TYR A 64 -12.217 -12.656 2.128 1.00 0.31 H new ATOM 849 N LYS A 65 -10.139 -8.603 -5.839 1.00 0.20 N ATOM 850 CA LYS A 65 -10.168 -7.778 -7.033 1.00 0.23 C ATOM 851 C LYS A 65 -11.369 -8.165 -7.845 1.00 0.20 C ATOM 852 O LYS A 65 -11.914 -7.362 -8.598 1.00 0.22 O ATOM 853 CB LYS A 65 -8.885 -7.894 -7.862 1.00 0.34 C ATOM 854 CG LYS A 65 -8.566 -9.278 -8.406 1.00 0.29 C ATOM 855 CD LYS A 65 -7.193 -9.276 -9.051 1.00 0.38 C ATOM 856 CE LYS A 65 -7.022 -10.421 -10.035 1.00 0.80 C ATOM 857 NZ LYS A 65 -8.007 -10.350 -11.149 1.00 1.35 N ATOM 0 H LYS A 65 -9.365 -9.266 -5.790 1.00 0.20 H new ATOM 0 HA LYS A 65 -10.234 -6.733 -6.732 1.00 0.23 H new ATOM 0 HB2 LYS A 65 -8.955 -7.202 -8.702 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -8.047 -7.565 -7.247 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -8.598 -10.011 -7.600 1.00 0.29 H new ATOM 0 HG3 LYS A 65 -9.320 -9.574 -9.136 1.00 0.29 H new ATOM 0 HD2 LYS A 65 -7.037 -8.329 -9.567 1.00 0.38 H new ATOM 0 HD3 LYS A 65 -6.429 -9.347 -8.277 1.00 0.38 H new ATOM 0 HE2 LYS A 65 -6.011 -10.401 -10.443 1.00 0.80 H new ATOM 0 HE3 LYS A 65 -7.135 -11.370 -9.511 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 -7.633 -10.858 -11.976 1.00 1.35 H new ATOM 0 HZ2 LYS A 65 -8.902 -10.787 -10.850 1.00 1.35 H new ATOM 0 HZ3 LYS A 65 -8.175 -9.355 -11.401 1.00 1.35 H new ATOM 871 N SER A 66 -11.789 -9.404 -7.631 1.00 0.23 N ATOM 872 CA SER A 66 -13.021 -9.917 -8.212 1.00 0.26 C ATOM 873 C SER A 66 -14.182 -8.931 -8.000 1.00 0.25 C ATOM 874 O SER A 66 -15.028 -8.761 -8.877 1.00 0.31 O ATOM 875 CB SER A 66 -13.352 -11.266 -7.577 1.00 0.32 C ATOM 876 OG SER A 66 -12.170 -12.028 -7.390 1.00 1.28 O ATOM 0 H SER A 66 -11.288 -10.079 -7.053 1.00 0.23 H new ATOM 0 HA SER A 66 -12.880 -10.041 -9.286 1.00 0.26 H new ATOM 0 HB2 SER A 66 -13.848 -11.112 -6.619 1.00 0.32 H new ATOM 0 HB3 SER A 66 -14.048 -11.813 -8.212 1.00 0.32 H new ATOM 0 HG SER A 66 -12.397 -12.889 -6.981 1.00 1.28 H new ATOM 882 N GLN A 67 -14.221 -8.287 -6.829 1.00 0.21 N ATOM 883 CA GLN A 67 -15.208 -7.240 -6.570 1.00 0.20 C ATOM 884 C GLN A 67 -14.724 -5.863 -7.053 1.00 0.20 C ATOM 885 O GLN A 67 -15.504 -5.077 -7.586 1.00 0.27 O ATOM 886 CB GLN A 67 -15.546 -7.196 -5.079 1.00 0.21 C ATOM 887 CG GLN A 67 -16.318 -8.417 -4.609 1.00 0.38 C ATOM 888 CD GLN A 67 -16.534 -8.439 -3.112 1.00 0.52 C ATOM 889 OE1 GLN A 67 -15.620 -9.070 -2.398 1.00 1.11 O flip ATOM 890 NE2 GLN A 67 -17.518 -7.906 -2.604 1.00 0.46 N flip ATOM 0 H GLN A 67 -13.585 -8.472 -6.053 1.00 0.21 H new ATOM 0 HA GLN A 67 -16.107 -7.484 -7.136 1.00 0.20 H new ATOM 0 HB2 GLN A 67 -14.623 -7.114 -4.505 1.00 0.21 H new ATOM 0 HB3 GLN A 67 -16.132 -6.301 -4.871 1.00 0.21 H new ATOM 0 HG2 GLN A 67 -17.285 -8.444 -5.111 1.00 0.38 H new ATOM 0 HG3 GLN A 67 -15.780 -9.317 -4.906 1.00 0.38 H new ATOM 0 HE21 GLN A 67 -18.200 -7.428 -3.193 1.00 0.46 H new ATOM 0 HE22 GLN A 67 -17.652 -7.941 -1.593 1.00 0.46 H new ATOM 899 N GLY A 68 -13.433 -5.593 -6.889 1.00 0.17 N ATOM 900 CA GLY A 68 -12.875 -4.304 -7.251 1.00 0.18 C ATOM 901 C GLY A 68 -11.692 -3.949 -6.369 1.00 0.15 C ATOM 902 O GLY A 68 -11.025 -2.930 -6.577 1.00 0.17 O ATOM 0 H GLY A 68 -12.756 -6.254 -6.507 1.00 0.17 H new ATOM 0 HA2 GLY A 68 -12.561 -4.321 -8.295 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -13.642 -3.535 -7.161 1.00 0.18 H new ATOM 906 N PHE A 69 -11.436 -4.808 -5.386 1.00 0.14 N ATOM 907 CA PHE A 69 -10.357 -4.610 -4.425 1.00 0.13 C ATOM 908 C PHE A 69 -8.997 -4.727 -5.090 1.00 0.14 C ATOM 909 O PHE A 69 -8.811 -5.543 -5.978 1.00 0.18 O ATOM 910 CB PHE A 69 -10.461 -5.650 -3.303 1.00 0.14 C ATOM 911 CG PHE A 69 -9.383 -5.523 -2.281 1.00 0.12 C ATOM 912 CD1 PHE A 69 -9.059 -4.309 -1.703 1.00 0.14 C ATOM 913 CD2 PHE A 69 -8.710 -6.640 -1.889 1.00 0.14 C ATOM 914 CE1 PHE A 69 -8.063 -4.232 -0.751 1.00 0.16 C ATOM 915 CE2 PHE A 69 -7.733 -6.584 -0.951 1.00 0.16 C ATOM 916 CZ PHE A 69 -7.383 -5.200 -0.408 1.00 0.14 C ATOM 0 H PHE A 69 -11.972 -5.662 -5.234 1.00 0.14 H new ATOM 0 HA PHE A 69 -10.456 -3.606 -4.013 1.00 0.13 H new ATOM 0 HB2 PHE A 69 -11.430 -5.551 -2.814 1.00 0.14 H new ATOM 0 HB3 PHE A 69 -10.424 -6.649 -3.738 1.00 0.14 H new ATOM 0 HD1 PHE A 69 -9.589 -3.416 -1.999 1.00 0.14 H new ATOM 0 HD2 PHE A 69 -8.960 -7.591 -2.335 1.00 0.14 H new ATOM 0 HE1 PHE A 69 -7.871 -3.277 -0.284 1.00 0.16 H new ATOM 0 HE2 PHE A 69 -7.227 -7.473 -0.605 1.00 0.16 H new ATOM 0 HZ PHE A 69 -6.550 -5.072 0.268 1.00 0.14 H new ATOM 926 N THR A 70 -8.052 -3.892 -4.690 1.00 0.13 N ATOM 927 CA THR A 70 -6.708 -4.024 -5.161 1.00 0.12 C ATOM 928 C THR A 70 -5.775 -3.862 -4.015 1.00 0.12 C ATOM 929 O THR A 70 -6.047 -3.117 -3.099 1.00 0.19 O ATOM 930 CB THR A 70 -6.387 -2.981 -6.227 1.00 0.15 C ATOM 931 OG1 THR A 70 -5.330 -3.428 -7.066 1.00 0.20 O ATOM 932 CG2 THR A 70 -6.008 -1.653 -5.606 1.00 0.19 C ATOM 0 H THR A 70 -8.203 -3.120 -4.040 1.00 0.13 H new ATOM 0 HA THR A 70 -6.595 -5.011 -5.609 1.00 0.12 H new ATOM 0 HB THR A 70 -7.288 -2.842 -6.824 1.00 0.15 H new ATOM 0 HG1 THR A 70 -5.589 -4.268 -7.499 1.00 0.20 H new ATOM 0 HG21 THR A 70 -5.786 -0.933 -6.394 1.00 0.19 H new ATOM 0 HG22 THR A 70 -6.837 -1.285 -5.001 1.00 0.19 H new ATOM 0 HG23 THR A 70 -5.129 -1.784 -4.975 1.00 0.19 H new ATOM 940 N VAL A 71 -4.711 -4.583 -4.035 1.00 0.13 N ATOM 941 CA VAL A 71 -3.602 -4.218 -3.234 1.00 0.13 C ATOM 942 C VAL A 71 -2.553 -3.605 -4.118 1.00 0.13 C ATOM 943 O VAL A 71 -1.852 -4.307 -4.831 1.00 0.15 O ATOM 944 CB VAL A 71 -3.021 -5.413 -2.487 1.00 0.15 C ATOM 945 CG1 VAL A 71 -1.653 -5.061 -1.926 1.00 0.16 C ATOM 946 CG2 VAL A 71 -3.957 -5.846 -1.377 1.00 0.17 C ATOM 0 H VAL A 71 -4.586 -5.426 -4.596 1.00 0.13 H new ATOM 0 HA VAL A 71 -3.937 -3.502 -2.484 1.00 0.13 H new ATOM 0 HB VAL A 71 -2.908 -6.244 -3.183 1.00 0.15 H new ATOM 0 HG11 VAL A 71 -1.246 -5.921 -1.394 1.00 0.16 H new ATOM 0 HG12 VAL A 71 -0.984 -4.789 -2.742 1.00 0.16 H new ATOM 0 HG13 VAL A 71 -1.747 -4.220 -1.239 1.00 0.16 H new ATOM 0 HG21 VAL A 71 -3.529 -6.700 -0.853 1.00 0.17 H new ATOM 0 HG22 VAL A 71 -4.096 -5.023 -0.676 1.00 0.17 H new ATOM 0 HG23 VAL A 71 -4.920 -6.127 -1.802 1.00 0.17 H new ATOM 956 N LEU A 72 -2.466 -2.295 -4.114 1.00 0.17 N ATOM 957 CA LEU A 72 -1.375 -1.674 -4.833 1.00 0.22 C ATOM 958 C LEU A 72 -0.269 -1.393 -3.853 1.00 0.19 C ATOM 959 O LEU A 72 -0.466 -0.701 -2.866 1.00 0.28 O ATOM 960 CB LEU A 72 -1.714 -0.371 -5.587 1.00 0.43 C ATOM 961 CG LEU A 72 -3.171 -0.001 -5.813 1.00 0.34 C ATOM 962 CD1 LEU A 72 -3.805 0.515 -4.535 1.00 1.04 C ATOM 963 CD2 LEU A 72 -3.252 1.041 -6.911 1.00 1.00 C ATOM 0 H LEU A 72 -3.108 -1.659 -3.642 1.00 0.17 H new ATOM 0 HA LEU A 72 -1.094 -2.384 -5.611 1.00 0.22 H new ATOM 0 HB2 LEU A 72 -1.247 0.452 -5.046 1.00 0.43 H new ATOM 0 HB3 LEU A 72 -1.234 -0.423 -6.564 1.00 0.43 H new ATOM 0 HG LEU A 72 -3.724 -0.890 -6.116 1.00 0.34 H new ATOM 0 HD11 LEU A 72 -4.847 0.773 -4.724 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -3.756 -0.257 -3.767 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -3.268 1.401 -4.194 1.00 1.04 H new ATOM 0 HD21 LEU A 72 -4.294 1.312 -7.079 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -2.690 1.927 -6.614 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -2.830 0.635 -7.830 1.00 1.00 H new ATOM 975 N ALA A 73 0.881 -1.945 -4.117 1.00 0.22 N ATOM 976 CA ALA A 73 2.014 -1.742 -3.265 1.00 0.30 C ATOM 977 C ALA A 73 3.035 -0.851 -3.948 1.00 0.23 C ATOM 978 O ALA A 73 3.258 -0.940 -5.151 1.00 0.32 O ATOM 979 CB ALA A 73 2.617 -3.071 -2.878 1.00 0.51 C ATOM 0 H ALA A 73 1.057 -2.544 -4.923 1.00 0.22 H new ATOM 0 HA ALA A 73 1.689 -1.240 -2.354 1.00 0.30 H new ATOM 0 HB1 ALA A 73 3.478 -2.905 -2.230 1.00 0.51 H new ATOM 0 HB2 ALA A 73 1.874 -3.667 -2.349 1.00 0.51 H new ATOM 0 HB3 ALA A 73 2.935 -3.601 -3.776 1.00 0.51 H new ATOM 985 N PHE A 74 3.619 0.033 -3.176 1.00 0.29 N ATOM 986 CA PHE A 74 4.579 0.994 -3.674 1.00 0.33 C ATOM 987 C PHE A 74 5.947 0.715 -3.042 1.00 0.35 C ATOM 988 O PHE A 74 6.134 0.940 -1.848 1.00 0.37 O ATOM 989 CB PHE A 74 4.080 2.403 -3.341 1.00 0.44 C ATOM 990 CG PHE A 74 2.904 2.878 -4.171 1.00 0.36 C ATOM 991 CD1 PHE A 74 2.133 2.003 -4.940 1.00 0.43 C ATOM 992 CD2 PHE A 74 2.589 4.224 -4.199 1.00 0.41 C ATOM 993 CE1 PHE A 74 1.086 2.472 -5.703 1.00 0.41 C ATOM 994 CE2 PHE A 74 1.538 4.699 -4.967 1.00 0.43 C ATOM 995 CZ PHE A 74 0.790 3.814 -5.722 1.00 0.35 C ATOM 0 H PHE A 74 3.441 0.108 -2.174 1.00 0.29 H new ATOM 0 HA PHE A 74 4.686 0.912 -4.756 1.00 0.33 H new ATOM 0 HB2 PHE A 74 3.799 2.433 -2.288 1.00 0.44 H new ATOM 0 HB3 PHE A 74 4.904 3.104 -3.471 1.00 0.44 H new ATOM 0 HD1 PHE A 74 2.360 0.947 -4.936 1.00 0.43 H new ATOM 0 HD2 PHE A 74 3.173 4.918 -3.612 1.00 0.41 H new ATOM 0 HE1 PHE A 74 0.496 1.783 -6.288 1.00 0.41 H new ATOM 0 HE2 PHE A 74 1.304 5.753 -4.976 1.00 0.43 H new ATOM 0 HZ PHE A 74 -0.027 4.178 -6.327 1.00 0.35 H new ATOM 1005 N PRO A 75 6.920 0.231 -3.842 1.00 0.37 N ATOM 1006 CA PRO A 75 8.155 -0.389 -3.337 1.00 0.46 C ATOM 1007 C PRO A 75 9.223 0.584 -2.842 1.00 0.61 C ATOM 1008 O PRO A 75 10.404 0.397 -3.111 1.00 1.30 O ATOM 1009 CB PRO A 75 8.658 -1.196 -4.530 1.00 0.54 C ATOM 1010 CG PRO A 75 8.130 -0.493 -5.732 1.00 0.44 C ATOM 1011 CD PRO A 75 6.891 0.264 -5.309 1.00 0.38 C ATOM 0 HA PRO A 75 7.944 -0.979 -2.445 1.00 0.46 H new ATOM 0 HB2 PRO A 75 9.747 -1.237 -4.546 1.00 0.54 H new ATOM 0 HB3 PRO A 75 8.300 -2.225 -4.488 1.00 0.54 H new ATOM 0 HG2 PRO A 75 8.877 0.190 -6.136 1.00 0.44 H new ATOM 0 HG3 PRO A 75 7.892 -1.207 -6.520 1.00 0.44 H new ATOM 0 HD2 PRO A 75 6.905 1.288 -5.683 1.00 0.38 H new ATOM 0 HD3 PRO A 75 5.987 -0.205 -5.698 1.00 0.38 H new ATOM 1019 N SER A 76 8.763 1.546 -2.042 1.00 0.41 N ATOM 1020 CA SER A 76 9.572 2.583 -1.367 1.00 0.37 C ATOM 1021 C SER A 76 10.707 3.200 -2.158 1.00 0.50 C ATOM 1022 O SER A 76 11.515 2.543 -2.802 1.00 0.74 O ATOM 1023 CB SER A 76 10.087 2.034 -0.034 1.00 0.53 C ATOM 1024 OG SER A 76 10.855 0.860 -0.235 1.00 1.44 O ATOM 0 H SER A 76 7.769 1.635 -1.831 1.00 0.41 H new ATOM 0 HA SER A 76 8.884 3.417 -1.229 1.00 0.37 H new ATOM 0 HB2 SER A 76 10.694 2.789 0.465 1.00 0.53 H new ATOM 0 HB3 SER A 76 9.246 1.815 0.623 1.00 0.53 H new ATOM 0 HG SER A 76 11.175 0.527 0.629 1.00 1.44 H new ATOM 1030 N ASN A 77 10.800 4.504 -2.014 1.00 0.52 N ATOM 1031 CA ASN A 77 11.850 5.249 -2.650 1.00 0.72 C ATOM 1032 C ASN A 77 13.047 5.242 -1.718 1.00 0.70 C ATOM 1033 O ASN A 77 13.459 6.271 -1.173 1.00 0.75 O ATOM 1034 CB ASN A 77 11.373 6.662 -2.979 1.00 0.93 C ATOM 1035 CG ASN A 77 12.341 7.444 -3.855 1.00 0.96 C ATOM 1036 OD1 ASN A 77 13.550 7.229 -3.823 1.00 1.81 O ATOM 1037 ND2 ASN A 77 11.812 8.366 -4.645 1.00 1.46 N ATOM 0 H ASN A 77 10.156 5.067 -1.459 1.00 0.52 H new ATOM 0 HA ASN A 77 12.137 4.796 -3.599 1.00 0.72 H new ATOM 0 HB2 ASN A 77 10.408 6.603 -3.482 1.00 0.93 H new ATOM 0 HB3 ASN A 77 11.215 7.209 -2.049 1.00 0.93 H new ATOM 0 HD21 ASN A 77 12.413 8.923 -5.252 1.00 1.46 H new ATOM 0 HD22 ASN A 77 10.803 8.519 -4.647 1.00 1.46 H new ATOM 1044 N GLN A 78 13.568 4.030 -1.512 1.00 0.85 N ATOM 1045 CA GLN A 78 14.764 3.788 -0.707 1.00 0.98 C ATOM 1046 C GLN A 78 15.931 4.594 -1.233 1.00 0.98 C ATOM 1047 O GLN A 78 16.955 4.758 -0.574 1.00 1.12 O ATOM 1048 CB GLN A 78 15.108 2.293 -0.683 1.00 1.35 C ATOM 1049 CG GLN A 78 14.727 1.515 -1.945 1.00 2.07 C ATOM 1050 CD GLN A 78 15.381 2.034 -3.213 1.00 2.74 C ATOM 1051 OE1 GLN A 78 14.806 2.854 -3.925 1.00 3.34 O ATOM 1052 NE2 GLN A 78 16.577 1.560 -3.504 1.00 3.30 N ATOM 0 H GLN A 78 13.165 3.180 -1.905 1.00 0.85 H new ATOM 0 HA GLN A 78 14.559 4.107 0.315 1.00 0.98 H new ATOM 0 HB2 GLN A 78 16.180 2.186 -0.520 1.00 1.35 H new ATOM 0 HB3 GLN A 78 14.608 1.835 0.171 1.00 1.35 H new ATOM 0 HG2 GLN A 78 15.000 0.468 -1.810 1.00 2.07 H new ATOM 0 HG3 GLN A 78 13.644 1.549 -2.067 1.00 2.07 H new ATOM 0 HE21 GLN A 78 17.020 0.880 -2.886 1.00 3.30 H new ATOM 0 HE22 GLN A 78 17.059 1.873 -4.347 1.00 3.30 H new ATOM 1061 N PHE A 79 15.740 5.091 -2.430 1.00 0.98 N ATOM 1062 CA PHE A 79 16.742 5.871 -3.123 1.00 1.19 C ATOM 1063 C PHE A 79 16.931 7.234 -2.457 1.00 1.20 C ATOM 1064 O PHE A 79 17.971 7.879 -2.602 1.00 1.54 O ATOM 1065 CB PHE A 79 16.294 6.037 -4.564 1.00 1.32 C ATOM 1066 CG PHE A 79 17.272 6.773 -5.427 1.00 1.57 C ATOM 1067 CD1 PHE A 79 18.473 6.190 -5.795 1.00 1.82 C ATOM 1068 CD2 PHE A 79 16.981 8.048 -5.875 1.00 2.02 C ATOM 1069 CE1 PHE A 79 19.369 6.871 -6.596 1.00 2.25 C ATOM 1070 CE2 PHE A 79 17.872 8.735 -6.675 1.00 2.64 C ATOM 1071 CZ PHE A 79 19.098 8.126 -7.019 1.00 2.68 C ATOM 0 H PHE A 79 14.876 4.966 -2.958 1.00 0.98 H new ATOM 0 HA PHE A 79 17.703 5.358 -3.085 1.00 1.19 H new ATOM 0 HB2 PHE A 79 16.116 5.051 -4.994 1.00 1.32 H new ATOM 0 HB3 PHE A 79 15.342 6.567 -4.579 1.00 1.32 H new ATOM 0 HD1 PHE A 79 18.711 5.194 -5.453 1.00 1.82 H new ATOM 0 HD2 PHE A 79 16.046 8.512 -5.596 1.00 2.02 H new ATOM 0 HE1 PHE A 79 20.294 6.396 -6.887 1.00 2.25 H new ATOM 0 HE2 PHE A 79 17.634 9.726 -7.033 1.00 2.64 H new ATOM 0 HZ PHE A 79 19.818 8.662 -7.619 1.00 2.68 H new ATOM 1081 N GLY A 80 15.919 7.653 -1.717 1.00 1.10 N ATOM 1082 CA GLY A 80 15.984 8.916 -1.009 1.00 1.22 C ATOM 1083 C GLY A 80 16.792 8.797 0.265 1.00 1.24 C ATOM 1084 O GLY A 80 17.645 9.634 0.554 1.00 1.98 O ATOM 0 H GLY A 80 15.047 7.139 -1.592 1.00 1.10 H new ATOM 0 HA2 GLY A 80 16.429 9.673 -1.654 1.00 1.22 H new ATOM 0 HA3 GLY A 80 14.975 9.253 -0.771 1.00 1.22 H new ATOM 1088 N GLY A 81 16.532 7.738 1.017 1.00 1.18 N ATOM 1089 CA GLY A 81 17.272 7.493 2.238 1.00 1.21 C ATOM 1090 C GLY A 81 16.516 7.904 3.474 1.00 1.14 C ATOM 1091 O GLY A 81 17.094 8.426 4.426 1.00 1.49 O ATOM 0 H GLY A 81 15.819 7.041 0.802 1.00 1.18 H new ATOM 0 HA2 GLY A 81 17.515 6.432 2.303 1.00 1.21 H new ATOM 0 HA3 GLY A 81 18.217 8.035 2.199 1.00 1.21 H new ATOM 1095 N GLN A 82 15.219 7.671 3.458 1.00 0.86 N ATOM 1096 CA GLN A 82 14.392 7.900 4.624 1.00 0.82 C ATOM 1097 C GLN A 82 13.285 6.869 4.677 1.00 0.77 C ATOM 1098 O GLN A 82 12.228 7.123 5.230 1.00 0.91 O ATOM 1099 CB GLN A 82 13.793 9.321 4.627 1.00 0.80 C ATOM 1100 CG GLN A 82 12.761 9.605 3.536 1.00 0.75 C ATOM 1101 CD GLN A 82 13.311 9.521 2.121 1.00 1.09 C ATOM 1102 OE1 GLN A 82 13.875 10.482 1.607 1.00 1.74 O ATOM 1103 NE2 GLN A 82 13.092 8.394 1.458 1.00 1.14 N ATOM 0 H GLN A 82 14.713 7.321 2.644 1.00 0.86 H new ATOM 0 HA GLN A 82 15.023 7.805 5.508 1.00 0.82 H new ATOM 0 HB2 GLN A 82 13.328 9.498 5.597 1.00 0.80 H new ATOM 0 HB3 GLN A 82 14.607 10.039 4.528 1.00 0.80 H new ATOM 0 HG2 GLN A 82 11.938 8.897 3.637 1.00 0.75 H new ATOM 0 HG3 GLN A 82 12.346 10.601 3.694 1.00 0.75 H new ATOM 0 HE21 GLN A 82 12.620 7.615 1.918 1.00 1.14 H new ATOM 0 HE22 GLN A 82 13.396 8.306 0.488 1.00 1.14 H new ATOM 1112 N GLU A 83 13.535 5.698 4.111 1.00 0.75 N ATOM 1113 CA GLU A 83 12.494 4.691 3.989 1.00 0.74 C ATOM 1114 C GLU A 83 12.317 3.898 5.284 1.00 0.72 C ATOM 1115 O GLU A 83 13.267 3.655 6.030 1.00 0.88 O ATOM 1116 CB GLU A 83 12.767 3.762 2.799 1.00 0.87 C ATOM 1117 CG GLU A 83 12.553 4.424 1.440 1.00 1.16 C ATOM 1118 CD GLU A 83 11.363 5.365 1.420 1.00 2.33 C ATOM 1119 OE1 GLU A 83 11.460 6.442 2.028 1.00 2.83 O ATOM 1120 OE2 GLU A 83 10.337 5.041 0.788 1.00 3.07 O ATOM 0 H GLU A 83 14.441 5.424 3.732 1.00 0.75 H new ATOM 0 HA GLU A 83 11.555 5.212 3.802 1.00 0.74 H new ATOM 0 HB2 GLU A 83 13.794 3.401 2.860 1.00 0.87 H new ATOM 0 HB3 GLU A 83 12.118 2.890 2.874 1.00 0.87 H new ATOM 0 HG2 GLU A 83 13.451 4.977 1.166 1.00 1.16 H new ATOM 0 HG3 GLU A 83 12.411 3.652 0.684 1.00 1.16 H new ATOM 1127 N PRO A 84 11.059 3.501 5.548 1.00 0.63 N ATOM 1128 CA PRO A 84 10.639 2.846 6.798 1.00 0.75 C ATOM 1129 C PRO A 84 11.113 1.404 6.893 1.00 1.00 C ATOM 1130 O PRO A 84 11.553 0.952 7.949 1.00 1.75 O ATOM 1131 CB PRO A 84 9.119 2.879 6.687 1.00 1.02 C ATOM 1132 CG PRO A 84 8.846 2.837 5.239 1.00 0.72 C ATOM 1133 CD PRO A 84 9.933 3.636 4.606 1.00 0.61 C ATOM 0 HA PRO A 84 11.049 3.340 7.679 1.00 0.75 H new ATOM 0 HB2 PRO A 84 8.666 2.030 7.200 1.00 1.02 H new ATOM 0 HB3 PRO A 84 8.709 3.781 7.141 1.00 1.02 H new ATOM 0 HG2 PRO A 84 8.846 1.812 4.869 1.00 0.72 H new ATOM 0 HG3 PRO A 84 7.866 3.258 5.012 1.00 0.72 H new ATOM 0 HD2 PRO A 84 10.189 3.252 3.618 1.00 0.61 H new ATOM 0 HD3 PRO A 84 9.641 4.678 4.477 1.00 0.61 H new ATOM 1141 N GLY A 85 11.025 0.690 5.783 1.00 1.45 N ATOM 1142 CA GLY A 85 11.344 -0.711 5.780 1.00 1.82 C ATOM 1143 C GLY A 85 12.590 -1.003 4.989 1.00 1.61 C ATOM 1144 O GLY A 85 12.775 -0.467 3.897 1.00 2.20 O ATOM 0 H GLY A 85 10.735 1.064 4.879 1.00 1.45 H new ATOM 0 HA2 GLY A 85 11.477 -1.055 6.806 1.00 1.82 H new ATOM 0 HA3 GLY A 85 10.509 -1.272 5.361 1.00 1.82 H new ATOM 1148 N ASN A 86 13.440 -1.842 5.556 1.00 1.49 N ATOM 1149 CA ASN A 86 14.701 -2.237 4.926 1.00 2.04 C ATOM 1150 C ASN A 86 15.569 -1.009 4.673 1.00 1.94 C ATOM 1151 O ASN A 86 16.232 -0.897 3.640 1.00 2.70 O ATOM 1152 CB ASN A 86 14.454 -3.011 3.620 1.00 2.78 C ATOM 1153 CG ASN A 86 13.707 -4.319 3.834 1.00 3.58 C ATOM 1154 OD1 ASN A 86 12.897 -4.450 4.753 1.00 4.07 O ATOM 1155 ND2 ASN A 86 13.970 -5.301 2.987 1.00 4.20 N ATOM 0 H ASN A 86 13.281 -2.272 6.467 1.00 1.49 H new ATOM 0 HA ASN A 86 15.229 -2.904 5.608 1.00 2.04 H new ATOM 0 HB2 ASN A 86 13.886 -2.383 2.934 1.00 2.78 H new ATOM 0 HB3 ASN A 86 15.411 -3.220 3.142 1.00 2.78 H new ATOM 0 HD21 ASN A 86 13.496 -6.199 3.084 1.00 4.20 H new ATOM 0 HD22 ASN A 86 14.646 -5.160 2.237 1.00 4.20 H new ATOM 1162 N GLU A 87 15.558 -0.112 5.658 1.00 1.52 N ATOM 1163 CA GLU A 87 16.256 1.177 5.605 1.00 1.46 C ATOM 1164 C GLU A 87 17.702 1.048 5.123 1.00 1.60 C ATOM 1165 O GLU A 87 18.173 1.846 4.320 1.00 2.15 O ATOM 1166 CB GLU A 87 16.243 1.804 7.005 1.00 1.61 C ATOM 1167 CG GLU A 87 16.821 0.878 8.069 1.00 2.19 C ATOM 1168 CD GLU A 87 16.739 1.433 9.471 1.00 2.58 C ATOM 1169 OE1 GLU A 87 17.599 2.261 9.834 1.00 3.02 O ATOM 1170 OE2 GLU A 87 15.798 1.071 10.203 1.00 2.84 O ATOM 0 H GLU A 87 15.055 -0.261 6.533 1.00 1.52 H new ATOM 0 HA GLU A 87 15.733 1.807 4.885 1.00 1.46 H new ATOM 0 HB2 GLU A 87 16.814 2.733 6.988 1.00 1.61 H new ATOM 0 HB3 GLU A 87 15.219 2.064 7.273 1.00 1.61 H new ATOM 0 HG2 GLU A 87 16.292 -0.075 8.034 1.00 2.19 H new ATOM 0 HG3 GLU A 87 17.864 0.672 7.830 1.00 2.19 H new ATOM 1177 N GLU A 88 18.392 0.033 5.614 1.00 1.57 N ATOM 1178 CA GLU A 88 19.817 -0.114 5.377 1.00 1.77 C ATOM 1179 C GLU A 88 20.073 -1.193 4.328 1.00 1.62 C ATOM 1180 O GLU A 88 21.192 -1.366 3.848 1.00 1.62 O ATOM 1181 CB GLU A 88 20.487 -0.466 6.708 1.00 2.18 C ATOM 1182 CG GLU A 88 22.002 -0.521 6.674 1.00 2.68 C ATOM 1183 CD GLU A 88 22.585 -0.814 8.041 1.00 3.33 C ATOM 1184 OE1 GLU A 88 22.167 -1.808 8.667 1.00 3.92 O ATOM 1185 OE2 GLU A 88 23.448 -0.043 8.505 1.00 3.66 O ATOM 0 H GLU A 88 17.983 -0.707 6.184 1.00 1.57 H new ATOM 0 HA GLU A 88 20.236 0.816 4.993 1.00 1.77 H new ATOM 0 HB2 GLU A 88 20.183 0.268 7.455 1.00 2.18 H new ATOM 0 HB3 GLU A 88 20.112 -1.434 7.041 1.00 2.18 H new ATOM 0 HG2 GLU A 88 22.322 -1.289 5.970 1.00 2.68 H new ATOM 0 HG3 GLU A 88 22.392 0.429 6.308 1.00 2.68 H new ATOM 1192 N GLU A 89 19.011 -1.883 3.949 1.00 1.62 N ATOM 1193 CA GLU A 89 19.115 -3.040 3.074 1.00 1.59 C ATOM 1194 C GLU A 89 18.977 -2.665 1.600 1.00 1.49 C ATOM 1195 O GLU A 89 19.914 -2.811 0.818 1.00 1.59 O ATOM 1196 CB GLU A 89 18.019 -4.036 3.446 1.00 1.70 C ATOM 1197 CG GLU A 89 17.927 -5.236 2.522 1.00 1.75 C ATOM 1198 CD GLU A 89 19.031 -6.243 2.755 1.00 2.11 C ATOM 1199 OE1 GLU A 89 19.176 -6.711 3.906 1.00 2.45 O ATOM 1200 OE2 GLU A 89 19.734 -6.594 1.787 1.00 2.65 O ATOM 0 H GLU A 89 18.058 -1.660 4.236 1.00 1.62 H new ATOM 0 HA GLU A 89 20.104 -3.477 3.209 1.00 1.59 H new ATOM 0 HB2 GLU A 89 18.193 -4.388 4.463 1.00 1.70 H new ATOM 0 HB3 GLU A 89 17.059 -3.519 3.448 1.00 1.70 H new ATOM 0 HG2 GLU A 89 16.962 -5.723 2.662 1.00 1.75 H new ATOM 0 HG3 GLU A 89 17.965 -4.895 1.487 1.00 1.75 H new ATOM 1207 N ILE A 90 17.820 -2.132 1.239 1.00 1.43 N ATOM 1208 CA ILE A 90 17.454 -1.978 -0.165 1.00 1.39 C ATOM 1209 C ILE A 90 18.029 -0.714 -0.794 1.00 1.49 C ATOM 1210 O ILE A 90 17.707 -0.383 -1.934 1.00 1.57 O ATOM 1211 CB ILE A 90 15.926 -1.974 -0.332 1.00 1.45 C ATOM 1212 CG1 ILE A 90 15.297 -0.984 0.648 1.00 1.74 C ATOM 1213 CG2 ILE A 90 15.367 -3.375 -0.128 1.00 1.76 C ATOM 1214 CD1 ILE A 90 13.800 -0.830 0.490 1.00 2.15 C ATOM 0 H ILE A 90 17.116 -1.798 1.897 1.00 1.43 H new ATOM 0 HA ILE A 90 17.885 -2.834 -0.685 1.00 1.39 H new ATOM 0 HB ILE A 90 15.679 -1.658 -1.346 1.00 1.45 H new ATOM 0 HG12 ILE A 90 15.513 -1.309 1.666 1.00 1.74 H new ATOM 0 HG13 ILE A 90 15.768 -0.010 0.517 1.00 1.74 H new ATOM 0 HG21 ILE A 90 14.284 -3.356 -0.249 1.00 1.76 H new ATOM 0 HG22 ILE A 90 15.803 -4.051 -0.863 1.00 1.76 H new ATOM 0 HG23 ILE A 90 15.613 -3.723 0.875 1.00 1.76 H new ATOM 0 HD11 ILE A 90 13.429 -0.111 1.221 1.00 2.15 H new ATOM 0 HD12 ILE A 90 13.575 -0.474 -0.515 1.00 2.15 H new ATOM 0 HD13 ILE A 90 13.316 -1.793 0.651 1.00 2.15 H new ATOM 1226 N LYS A 91 18.877 -0.011 -0.060 1.00 1.71 N ATOM 1227 CA LYS A 91 19.509 1.191 -0.593 1.00 1.89 C ATOM 1228 C LYS A 91 20.765 0.835 -1.377 1.00 1.98 C ATOM 1229 O LYS A 91 20.811 0.977 -2.602 1.00 2.17 O ATOM 1230 CB LYS A 91 19.888 2.175 0.514 1.00 2.00 C ATOM 1231 CG LYS A 91 18.719 2.716 1.314 1.00 2.10 C ATOM 1232 CD LYS A 91 19.120 3.967 2.085 1.00 2.33 C ATOM 1233 CE LYS A 91 20.374 3.739 2.920 1.00 2.39 C ATOM 1234 NZ LYS A 91 20.826 4.984 3.590 1.00 2.79 N ATOM 0 H LYS A 91 19.143 -0.246 0.896 1.00 1.71 H new ATOM 0 HA LYS A 91 18.779 1.664 -1.249 1.00 1.89 H new ATOM 0 HB2 LYS A 91 20.580 1.682 1.197 1.00 2.00 H new ATOM 0 HB3 LYS A 91 20.423 3.013 0.068 1.00 2.00 H new ATOM 0 HG2 LYS A 91 17.891 2.947 0.644 1.00 2.10 H new ATOM 0 HG3 LYS A 91 18.365 1.954 2.008 1.00 2.10 H new ATOM 0 HD2 LYS A 91 19.293 4.785 1.386 1.00 2.33 H new ATOM 0 HD3 LYS A 91 18.300 4.271 2.736 1.00 2.33 H new ATOM 0 HE2 LYS A 91 20.176 2.974 3.671 1.00 2.39 H new ATOM 0 HE3 LYS A 91 21.172 3.360 2.281 1.00 2.39 H new ATOM 0 HZ1 LYS A 91 21.681 4.787 4.148 1.00 2.79 H new ATOM 0 HZ2 LYS A 91 21.039 5.706 2.873 1.00 2.79 H new ATOM 0 HZ3 LYS A 91 20.075 5.332 4.219 1.00 2.79 H new ATOM 1248 N GLU A 92 21.773 0.361 -0.656 1.00 2.07 N ATOM 1249 CA GLU A 92 23.075 0.079 -1.240 1.00 2.27 C ATOM 1250 C GLU A 92 23.094 -1.285 -1.913 1.00 2.10 C ATOM 1251 O GLU A 92 23.994 -1.585 -2.701 1.00 2.26 O ATOM 1252 CB GLU A 92 24.160 0.149 -0.164 1.00 2.54 C ATOM 1253 CG GLU A 92 23.948 -0.833 0.974 1.00 2.47 C ATOM 1254 CD GLU A 92 25.032 -0.745 2.024 1.00 2.96 C ATOM 1255 OE1 GLU A 92 26.150 -1.238 1.771 1.00 3.29 O ATOM 1256 OE2 GLU A 92 24.771 -0.175 3.103 1.00 3.20 O ATOM 0 H GLU A 92 21.711 0.163 0.343 1.00 2.07 H new ATOM 0 HA GLU A 92 23.274 0.834 -2.001 1.00 2.27 H new ATOM 0 HB2 GLU A 92 25.129 -0.043 -0.624 1.00 2.54 H new ATOM 0 HB3 GLU A 92 24.194 1.160 0.241 1.00 2.54 H new ATOM 0 HG2 GLU A 92 22.980 -0.643 1.438 1.00 2.47 H new ATOM 0 HG3 GLU A 92 23.916 -1.846 0.574 1.00 2.47 H new ATOM 1263 N PHE A 93 22.103 -2.110 -1.613 1.00 1.86 N ATOM 1264 CA PHE A 93 22.036 -3.425 -2.212 1.00 1.75 C ATOM 1265 C PHE A 93 20.941 -3.439 -3.258 1.00 1.59 C ATOM 1266 O PHE A 93 19.917 -2.766 -3.107 1.00 1.69 O ATOM 1267 CB PHE A 93 21.788 -4.502 -1.159 1.00 1.73 C ATOM 1268 CG PHE A 93 22.414 -5.816 -1.523 1.00 2.09 C ATOM 1269 CD1 PHE A 93 23.764 -6.031 -1.306 1.00 2.34 C ATOM 1270 CD2 PHE A 93 21.660 -6.827 -2.091 1.00 2.65 C ATOM 1271 CE1 PHE A 93 24.351 -7.234 -1.648 1.00 2.87 C ATOM 1272 CE2 PHE A 93 22.241 -8.032 -2.435 1.00 3.40 C ATOM 1273 CZ PHE A 93 23.589 -8.236 -2.213 1.00 3.42 C ATOM 0 H PHE A 93 21.345 -1.892 -0.966 1.00 1.86 H new ATOM 0 HA PHE A 93 22.993 -3.647 -2.683 1.00 1.75 H new ATOM 0 HB2 PHE A 93 22.185 -4.167 -0.201 1.00 1.73 H new ATOM 0 HB3 PHE A 93 20.714 -4.638 -1.029 1.00 1.73 H new ATOM 0 HD1 PHE A 93 24.365 -5.250 -0.865 1.00 2.34 H new ATOM 0 HD2 PHE A 93 20.606 -6.673 -2.267 1.00 2.65 H new ATOM 0 HE1 PHE A 93 25.405 -7.390 -1.473 1.00 2.87 H new ATOM 0 HE2 PHE A 93 21.642 -8.814 -2.877 1.00 3.40 H new ATOM 0 HZ PHE A 93 24.045 -9.177 -2.481 1.00 3.42 H new ATOM 1283 N VAL A 94 21.171 -4.183 -4.328 1.00 1.62 N ATOM 1284 CA VAL A 94 20.256 -4.202 -5.451 1.00 1.68 C ATOM 1285 C VAL A 94 18.926 -4.850 -5.093 1.00 1.54 C ATOM 1286 O VAL A 94 18.835 -6.050 -4.838 1.00 1.74 O ATOM 1287 CB VAL A 94 20.886 -4.896 -6.686 1.00 2.11 C ATOM 1288 CG1 VAL A 94 21.377 -6.301 -6.354 1.00 2.63 C ATOM 1289 CG2 VAL A 94 19.900 -4.935 -7.847 1.00 2.56 C ATOM 0 H VAL A 94 21.988 -4.783 -4.440 1.00 1.62 H new ATOM 0 HA VAL A 94 20.057 -3.162 -5.710 1.00 1.68 H new ATOM 0 HB VAL A 94 21.752 -4.305 -6.985 1.00 2.11 H new ATOM 0 HG11 VAL A 94 21.812 -6.754 -7.245 1.00 2.63 H new ATOM 0 HG12 VAL A 94 22.132 -6.247 -5.569 1.00 2.63 H new ATOM 0 HG13 VAL A 94 20.539 -6.908 -6.010 1.00 2.63 H new ATOM 0 HG21 VAL A 94 20.364 -5.426 -8.702 1.00 2.56 H new ATOM 0 HG22 VAL A 94 19.009 -5.489 -7.550 1.00 2.56 H new ATOM 0 HG23 VAL A 94 19.620 -3.918 -8.121 1.00 2.56 H new ATOM 1299 N CYS A 95 17.896 -4.024 -5.067 1.00 1.47 N ATOM 1300 CA CYS A 95 16.552 -4.501 -4.875 1.00 1.46 C ATOM 1301 C CYS A 95 15.795 -4.420 -6.184 1.00 1.37 C ATOM 1302 O CYS A 95 15.691 -3.352 -6.793 1.00 1.52 O ATOM 1303 CB CYS A 95 15.845 -3.680 -3.790 1.00 1.77 C ATOM 1304 SG CYS A 95 15.932 -1.889 -4.031 1.00 2.83 S ATOM 0 H CYS A 95 17.973 -3.013 -5.178 1.00 1.47 H new ATOM 0 HA CYS A 95 16.582 -5.540 -4.547 1.00 1.46 H new ATOM 0 HB2 CYS A 95 14.797 -3.978 -3.751 1.00 1.77 H new ATOM 0 HB3 CYS A 95 16.283 -3.926 -2.823 1.00 1.77 H new ATOM 0 HG CYS A 95 16.738 -1.371 -3.152 1.00 2.83 H new ATOM 1310 N THR A 96 15.301 -5.553 -6.633 1.00 1.52 N ATOM 1311 CA THR A 96 14.463 -5.589 -7.809 1.00 1.59 C ATOM 1312 C THR A 96 13.143 -4.917 -7.489 1.00 1.08 C ATOM 1313 O THR A 96 12.625 -5.079 -6.378 1.00 1.31 O ATOM 1314 CB THR A 96 14.218 -7.037 -8.263 1.00 2.27 C ATOM 1315 OG1 THR A 96 13.896 -7.854 -7.129 1.00 2.76 O ATOM 1316 CG2 THR A 96 15.443 -7.597 -8.968 1.00 2.98 C ATOM 0 H THR A 96 15.466 -6.462 -6.200 1.00 1.52 H new ATOM 0 HA THR A 96 14.964 -5.062 -8.621 1.00 1.59 H new ATOM 0 HB THR A 96 13.383 -7.042 -8.964 1.00 2.27 H new ATOM 0 HG1 THR A 96 13.739 -8.775 -7.424 1.00 2.76 H new ATOM 0 HG21 THR A 96 15.246 -8.623 -9.280 1.00 2.98 H new ATOM 0 HG22 THR A 96 15.669 -6.988 -9.843 1.00 2.98 H new ATOM 0 HG23 THR A 96 16.294 -7.582 -8.286 1.00 2.98 H new ATOM 1324 N LYS A 97 12.619 -4.135 -8.423 1.00 1.14 N ATOM 1325 CA LYS A 97 11.338 -3.492 -8.206 1.00 1.11 C ATOM 1326 C LYS A 97 10.284 -4.572 -8.043 1.00 1.04 C ATOM 1327 O LYS A 97 9.899 -5.242 -9.001 1.00 1.76 O ATOM 1328 CB LYS A 97 10.980 -2.509 -9.333 1.00 1.47 C ATOM 1329 CG LYS A 97 10.876 -3.129 -10.717 1.00 1.47 C ATOM 1330 CD LYS A 97 10.458 -2.102 -11.759 1.00 1.89 C ATOM 1331 CE LYS A 97 11.507 -1.016 -11.925 1.00 2.34 C ATOM 1332 NZ LYS A 97 11.048 0.075 -12.825 1.00 2.72 N ATOM 0 H LYS A 97 13.055 -3.935 -9.323 1.00 1.14 H new ATOM 0 HA LYS A 97 11.389 -2.889 -7.300 1.00 1.11 H new ATOM 0 HB2 LYS A 97 10.029 -2.034 -9.092 1.00 1.47 H new ATOM 0 HB3 LYS A 97 11.732 -1.721 -9.360 1.00 1.47 H new ATOM 0 HG2 LYS A 97 11.837 -3.561 -10.996 1.00 1.47 H new ATOM 0 HG3 LYS A 97 10.153 -3.944 -10.698 1.00 1.47 H new ATOM 0 HD2 LYS A 97 10.293 -2.599 -12.715 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.510 -1.651 -11.467 1.00 1.89 H new ATOM 0 HE2 LYS A 97 11.754 -0.599 -10.948 1.00 2.34 H new ATOM 0 HE3 LYS A 97 12.421 -1.454 -12.325 1.00 2.34 H new ATOM 0 HZ1 LYS A 97 11.851 0.694 -13.058 1.00 2.72 H new ATOM 0 HZ2 LYS A 97 10.662 -0.335 -13.699 1.00 2.72 H new ATOM 0 HZ3 LYS A 97 10.310 0.631 -12.348 1.00 2.72 H new ATOM 1346 N PHE A 98 9.871 -4.756 -6.800 1.00 0.89 N ATOM 1347 CA PHE A 98 9.023 -5.867 -6.415 1.00 0.92 C ATOM 1348 C PHE A 98 7.764 -5.932 -7.270 1.00 1.11 C ATOM 1349 O PHE A 98 6.936 -5.032 -7.253 1.00 2.12 O ATOM 1350 CB PHE A 98 8.721 -5.760 -4.908 1.00 1.15 C ATOM 1351 CG PHE A 98 7.304 -6.038 -4.497 1.00 0.75 C ATOM 1352 CD1 PHE A 98 6.770 -7.301 -4.672 1.00 1.02 C ATOM 1353 CD2 PHE A 98 6.502 -5.050 -3.959 1.00 0.96 C ATOM 1354 CE1 PHE A 98 5.468 -7.572 -4.312 1.00 0.94 C ATOM 1355 CE2 PHE A 98 5.197 -5.321 -3.600 1.00 0.87 C ATOM 1356 CZ PHE A 98 4.694 -6.526 -3.700 1.00 0.45 C ATOM 0 H PHE A 98 10.116 -4.136 -6.028 1.00 0.89 H new ATOM 0 HA PHE A 98 9.542 -6.808 -6.595 1.00 0.92 H new ATOM 0 HB2 PHE A 98 9.374 -6.452 -4.377 1.00 1.15 H new ATOM 0 HB3 PHE A 98 8.984 -4.756 -4.576 1.00 1.15 H new ATOM 0 HD1 PHE A 98 7.381 -8.085 -5.096 1.00 1.02 H new ATOM 0 HD2 PHE A 98 6.900 -4.056 -3.818 1.00 0.96 H new ATOM 0 HE1 PHE A 98 5.039 -8.548 -4.485 1.00 0.94 H new ATOM 0 HE2 PHE A 98 4.576 -4.520 -3.228 1.00 0.87 H new ATOM 0 HZ PHE A 98 3.703 -6.733 -3.325 1.00 0.45 H new ATOM 1366 N LYS A 99 7.667 -6.995 -8.050 1.00 0.80 N ATOM 1367 CA LYS A 99 6.487 -7.257 -8.852 1.00 0.78 C ATOM 1368 C LYS A 99 5.726 -8.423 -8.250 1.00 0.79 C ATOM 1369 O LYS A 99 6.321 -9.427 -7.854 1.00 1.43 O ATOM 1370 CB LYS A 99 6.864 -7.561 -10.306 1.00 1.02 C ATOM 1371 CG LYS A 99 7.495 -6.385 -11.037 1.00 1.34 C ATOM 1372 CD LYS A 99 7.991 -6.793 -12.416 1.00 1.63 C ATOM 1373 CE LYS A 99 8.649 -5.632 -13.148 1.00 2.05 C ATOM 1374 NZ LYS A 99 7.662 -4.621 -13.616 1.00 2.69 N ATOM 0 H LYS A 99 8.401 -7.697 -8.144 1.00 0.80 H new ATOM 0 HA LYS A 99 5.856 -6.368 -8.853 1.00 0.78 H new ATOM 0 HB2 LYS A 99 7.558 -8.402 -10.323 1.00 1.02 H new ATOM 0 HB3 LYS A 99 5.970 -7.874 -10.845 1.00 1.02 H new ATOM 0 HG2 LYS A 99 6.766 -5.581 -11.134 1.00 1.34 H new ATOM 0 HG3 LYS A 99 8.326 -5.993 -10.451 1.00 1.34 H new ATOM 0 HD2 LYS A 99 8.704 -7.611 -12.318 1.00 1.63 H new ATOM 0 HD3 LYS A 99 7.155 -7.168 -13.007 1.00 1.63 H new ATOM 0 HE2 LYS A 99 9.370 -5.152 -12.487 1.00 2.05 H new ATOM 0 HE3 LYS A 99 9.206 -6.015 -14.003 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 8.160 -3.852 -14.108 1.00 2.69 H new ATOM 0 HZ2 LYS A 99 6.988 -5.070 -14.268 1.00 2.69 H new ATOM 0 HZ3 LYS A 99 7.148 -4.234 -12.799 1.00 2.69 H new ATOM 1388 N ALA A 100 4.418 -8.289 -8.173 1.00 0.51 N ATOM 1389 CA ALA A 100 3.603 -9.271 -7.488 1.00 0.43 C ATOM 1390 C ALA A 100 2.376 -9.640 -8.289 1.00 0.40 C ATOM 1391 O ALA A 100 2.263 -9.313 -9.471 1.00 0.55 O ATOM 1392 CB ALA A 100 3.173 -8.728 -6.148 1.00 0.43 C ATOM 0 H ALA A 100 3.897 -7.510 -8.576 1.00 0.51 H new ATOM 0 HA ALA A 100 4.207 -10.169 -7.358 1.00 0.43 H new ATOM 0 HB1 ALA A 100 2.560 -9.469 -5.635 1.00 0.43 H new ATOM 0 HB2 ALA A 100 4.054 -8.506 -5.546 1.00 0.43 H new ATOM 0 HB3 ALA A 100 2.594 -7.816 -6.294 1.00 0.43 H new ATOM 1398 N GLU A 101 1.445 -10.300 -7.620 1.00 0.34 N ATOM 1399 CA GLU A 101 0.174 -10.640 -8.219 1.00 0.40 C ATOM 1400 C GLU A 101 -0.796 -9.473 -8.074 1.00 0.43 C ATOM 1401 O GLU A 101 -1.986 -9.599 -8.359 1.00 0.67 O ATOM 1402 CB GLU A 101 -0.411 -11.886 -7.559 1.00 0.50 C ATOM 1403 CG GLU A 101 0.515 -13.090 -7.601 1.00 0.67 C ATOM 1404 CD GLU A 101 0.813 -13.541 -9.013 1.00 1.24 C ATOM 1405 OE1 GLU A 101 -0.064 -14.172 -9.642 1.00 1.57 O ATOM 1406 OE2 GLU A 101 1.926 -13.262 -9.504 1.00 1.99 O ATOM 0 H GLU A 101 1.551 -10.611 -6.654 1.00 0.34 H new ATOM 0 HA GLU A 101 0.332 -10.847 -9.277 1.00 0.40 H new ATOM 0 HB2 GLU A 101 -0.650 -11.658 -6.520 1.00 0.50 H new ATOM 0 HB3 GLU A 101 -1.348 -12.142 -8.053 1.00 0.50 H new ATOM 0 HG2 GLU A 101 1.449 -12.844 -7.097 1.00 0.67 H new ATOM 0 HG3 GLU A 101 0.062 -13.913 -7.048 1.00 0.67 H new ATOM 1413 N PHE A 102 -0.269 -8.342 -7.616 1.00 0.38 N ATOM 1414 CA PHE A 102 -1.050 -7.153 -7.379 1.00 0.40 C ATOM 1415 C PHE A 102 -0.273 -5.925 -7.855 1.00 0.45 C ATOM 1416 O PHE A 102 0.942 -5.995 -8.050 1.00 0.80 O ATOM 1417 CB PHE A 102 -1.429 -7.053 -5.894 1.00 0.84 C ATOM 1418 CG PHE A 102 -0.308 -7.285 -4.952 1.00 0.45 C ATOM 1419 CD1 PHE A 102 0.016 -8.560 -4.560 1.00 0.52 C ATOM 1420 CD2 PHE A 102 0.419 -6.226 -4.467 1.00 0.62 C ATOM 1421 CE1 PHE A 102 1.061 -8.782 -3.692 1.00 0.59 C ATOM 1422 CE2 PHE A 102 1.464 -6.430 -3.597 1.00 0.58 C ATOM 1423 CZ PHE A 102 1.768 -7.726 -3.189 1.00 0.44 C ATOM 0 H PHE A 102 0.722 -8.233 -7.400 1.00 0.38 H new ATOM 0 HA PHE A 102 -1.979 -7.204 -7.947 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -1.846 -6.064 -5.705 1.00 0.84 H new ATOM 0 HB3 PHE A 102 -2.217 -7.776 -5.685 1.00 0.84 H new ATOM 0 HD1 PHE A 102 -0.554 -9.397 -4.936 1.00 0.52 H new ATOM 0 HD2 PHE A 102 0.167 -5.221 -4.772 1.00 0.62 H new ATOM 0 HE1 PHE A 102 1.322 -9.791 -3.408 1.00 0.59 H new ATOM 0 HE2 PHE A 102 2.043 -5.594 -3.234 1.00 0.58 H new ATOM 0 HZ PHE A 102 2.561 -7.897 -2.476 1.00 0.44 H new ATOM 1433 N PRO A 103 -0.979 -4.805 -8.070 1.00 0.33 N ATOM 1434 CA PRO A 103 -0.410 -3.562 -8.620 1.00 0.39 C ATOM 1435 C PRO A 103 0.742 -3.004 -7.819 1.00 0.41 C ATOM 1436 O PRO A 103 0.551 -2.523 -6.718 1.00 0.62 O ATOM 1437 CB PRO A 103 -1.581 -2.579 -8.561 1.00 0.42 C ATOM 1438 CG PRO A 103 -2.529 -3.181 -7.602 1.00 0.58 C ATOM 1439 CD PRO A 103 -2.406 -4.648 -7.790 1.00 0.27 C ATOM 0 HA PRO A 103 -0.000 -3.740 -9.614 1.00 0.39 H new ATOM 0 HB2 PRO A 103 -1.254 -1.594 -8.229 1.00 0.42 H new ATOM 0 HB3 PRO A 103 -2.039 -2.449 -9.542 1.00 0.42 H new ATOM 0 HG2 PRO A 103 -2.287 -2.895 -6.579 1.00 0.58 H new ATOM 0 HG3 PRO A 103 -3.548 -2.845 -7.794 1.00 0.58 H new ATOM 0 HD2 PRO A 103 -2.709 -5.199 -6.900 1.00 0.27 H new ATOM 0 HD3 PRO A 103 -3.024 -5.006 -8.613 1.00 0.27 H new ATOM 1447 N ILE A 104 1.937 -3.049 -8.369 1.00 0.35 N ATOM 1448 CA ILE A 104 3.051 -2.381 -7.731 1.00 0.35 C ATOM 1449 C ILE A 104 3.432 -1.160 -8.543 1.00 0.33 C ATOM 1450 O ILE A 104 3.508 -1.216 -9.772 1.00 0.44 O ATOM 1451 CB ILE A 104 4.296 -3.276 -7.542 1.00 0.41 C ATOM 1452 CG1 ILE A 104 3.938 -4.612 -6.875 1.00 0.52 C ATOM 1453 CG2 ILE A 104 5.344 -2.528 -6.716 1.00 0.45 C ATOM 1454 CD1 ILE A 104 2.923 -4.490 -5.773 1.00 1.34 C ATOM 0 H ILE A 104 2.160 -3.531 -9.240 1.00 0.35 H new ATOM 0 HA ILE A 104 2.715 -2.106 -6.731 1.00 0.35 H new ATOM 0 HB ILE A 104 4.705 -3.505 -8.526 1.00 0.41 H new ATOM 0 HG12 ILE A 104 3.556 -5.295 -7.634 1.00 0.52 H new ATOM 0 HG13 ILE A 104 4.846 -5.060 -6.471 1.00 0.52 H new ATOM 0 HG21 ILE A 104 6.222 -3.160 -6.583 1.00 0.45 H new ATOM 0 HG22 ILE A 104 5.631 -1.613 -7.235 1.00 0.45 H new ATOM 0 HG23 ILE A 104 4.927 -2.277 -5.741 1.00 0.45 H new ATOM 0 HD11 ILE A 104 2.723 -5.475 -5.352 1.00 1.34 H new ATOM 0 HD12 ILE A 104 3.310 -3.834 -4.993 1.00 1.34 H new ATOM 0 HD13 ILE A 104 1.999 -4.072 -6.174 1.00 1.34 H new ATOM 1466 N MET A 105 3.637 -0.051 -7.858 1.00 0.29 N ATOM 1467 CA MET A 105 4.015 1.179 -8.522 1.00 0.30 C ATOM 1468 C MET A 105 5.523 1.262 -8.620 1.00 0.27 C ATOM 1469 O MET A 105 6.228 0.339 -8.225 1.00 0.35 O ATOM 1470 CB MET A 105 3.443 2.394 -7.782 1.00 0.43 C ATOM 1471 CG MET A 105 4.415 3.125 -6.871 1.00 1.50 C ATOM 1472 SD MET A 105 4.992 4.691 -7.561 1.00 2.49 S ATOM 1473 CE MET A 105 3.485 5.656 -7.532 1.00 3.03 C ATOM 0 H MET A 105 3.548 0.022 -6.845 1.00 0.29 H new ATOM 0 HA MET A 105 3.599 1.182 -9.529 1.00 0.30 H new ATOM 0 HB2 MET A 105 3.063 3.101 -8.520 1.00 0.43 H new ATOM 0 HB3 MET A 105 2.591 2.066 -7.186 1.00 0.43 H new ATOM 0 HG2 MET A 105 3.933 3.313 -5.912 1.00 1.50 H new ATOM 0 HG3 MET A 105 5.274 2.483 -6.676 1.00 1.50 H new ATOM 0 HE1 MET A 105 3.531 6.425 -8.303 1.00 3.03 H new ATOM 0 HE2 MET A 105 2.632 5.004 -7.720 1.00 3.03 H new ATOM 0 HE3 MET A 105 3.373 6.127 -6.555 1.00 3.03 H new ATOM 1483 N ALA A 106 6.008 2.366 -9.153 1.00 0.33 N ATOM 1484 CA ALA A 106 7.438 2.552 -9.353 1.00 0.52 C ATOM 1485 C ALA A 106 8.181 2.410 -8.034 1.00 0.66 C ATOM 1486 O ALA A 106 9.123 1.627 -7.913 1.00 1.46 O ATOM 1487 CB ALA A 106 7.693 3.912 -9.954 1.00 0.70 C ATOM 0 H ALA A 106 5.434 3.152 -9.457 1.00 0.33 H new ATOM 0 HA ALA A 106 7.804 1.785 -10.036 1.00 0.52 H new ATOM 0 HB1 ALA A 106 8.764 4.049 -10.103 1.00 0.70 H new ATOM 0 HB2 ALA A 106 7.181 3.988 -10.913 1.00 0.70 H new ATOM 0 HB3 ALA A 106 7.319 4.683 -9.281 1.00 0.70 H new ATOM 1493 N LYS A 107 7.670 3.174 -7.072 1.00 0.40 N ATOM 1494 CA LYS A 107 8.170 3.336 -5.703 1.00 0.36 C ATOM 1495 C LYS A 107 8.289 4.806 -5.479 1.00 0.38 C ATOM 1496 O LYS A 107 8.938 5.527 -6.237 1.00 0.59 O ATOM 1497 CB LYS A 107 9.531 2.686 -5.382 1.00 0.49 C ATOM 1498 CG LYS A 107 10.726 3.308 -6.085 1.00 0.84 C ATOM 1499 CD LYS A 107 12.029 2.613 -5.718 1.00 0.83 C ATOM 1500 CE LYS A 107 11.922 1.099 -5.835 1.00 0.95 C ATOM 1501 NZ LYS A 107 13.107 0.417 -5.252 1.00 1.76 N ATOM 0 H LYS A 107 6.836 3.738 -7.237 1.00 0.40 H new ATOM 0 HA LYS A 107 7.465 2.821 -5.050 1.00 0.36 H new ATOM 0 HB2 LYS A 107 9.695 2.737 -4.306 1.00 0.49 H new ATOM 0 HB3 LYS A 107 9.483 1.630 -5.647 1.00 0.49 H new ATOM 0 HG2 LYS A 107 10.579 3.256 -7.164 1.00 0.84 H new ATOM 0 HG3 LYS A 107 10.792 4.364 -5.822 1.00 0.84 H new ATOM 0 HD2 LYS A 107 12.826 2.971 -6.369 1.00 0.83 H new ATOM 0 HD3 LYS A 107 12.307 2.879 -4.698 1.00 0.83 H new ATOM 0 HE2 LYS A 107 11.020 0.758 -5.328 1.00 0.95 H new ATOM 0 HE3 LYS A 107 11.822 0.821 -6.884 1.00 0.95 H new ATOM 0 HZ1 LYS A 107 13.510 -0.238 -5.952 1.00 1.76 H new ATOM 0 HZ2 LYS A 107 13.821 1.126 -4.989 1.00 1.76 H new ATOM 0 HZ3 LYS A 107 12.820 -0.115 -4.406 1.00 1.76 H new ATOM 1515 N ILE A 108 7.609 5.265 -4.489 1.00 0.31 N ATOM 1516 CA ILE A 108 7.666 6.612 -4.134 1.00 0.35 C ATOM 1517 C ILE A 108 7.945 6.644 -2.660 1.00 0.36 C ATOM 1518 O ILE A 108 7.728 5.643 -1.974 1.00 0.42 O ATOM 1519 CB ILE A 108 6.352 7.314 -4.538 1.00 0.48 C ATOM 1520 CG1 ILE A 108 5.117 6.465 -4.175 1.00 0.82 C ATOM 1521 CG2 ILE A 108 6.364 7.553 -6.048 1.00 0.68 C ATOM 1522 CD1 ILE A 108 4.870 6.276 -2.694 1.00 0.64 C ATOM 0 H ILE A 108 6.995 4.698 -3.905 1.00 0.31 H new ATOM 0 HA ILE A 108 8.453 7.158 -4.653 1.00 0.35 H new ATOM 0 HB ILE A 108 6.287 8.256 -3.994 1.00 0.48 H new ATOM 0 HG12 ILE A 108 4.235 6.930 -4.616 1.00 0.82 H new ATOM 0 HG13 ILE A 108 5.224 5.483 -4.636 1.00 0.82 H new ATOM 0 HG21 ILE A 108 5.440 8.049 -6.345 1.00 0.68 H new ATOM 0 HG22 ILE A 108 7.214 8.183 -6.310 1.00 0.68 H new ATOM 0 HG23 ILE A 108 6.446 6.598 -6.567 1.00 0.68 H new ATOM 0 HD11 ILE A 108 3.979 5.665 -2.549 1.00 0.64 H new ATOM 0 HD12 ILE A 108 5.728 5.779 -2.243 1.00 0.64 H new ATOM 0 HD13 ILE A 108 4.724 7.248 -2.222 1.00 0.64 H new ATOM 1534 N ASN A 109 8.495 7.728 -2.200 1.00 0.38 N ATOM 1535 CA ASN A 109 8.820 7.864 -0.800 1.00 0.44 C ATOM 1536 C ASN A 109 7.615 7.546 0.039 1.00 0.47 C ATOM 1537 O ASN A 109 6.567 8.161 -0.101 1.00 0.76 O ATOM 1538 CB ASN A 109 9.312 9.268 -0.545 1.00 0.53 C ATOM 1539 CG ASN A 109 9.644 9.546 0.918 1.00 0.98 C ATOM 1540 OD1 ASN A 109 9.536 10.674 1.383 1.00 1.73 O ATOM 1541 ND2 ASN A 109 10.049 8.535 1.655 1.00 1.16 N ATOM 0 H ASN A 109 8.731 8.538 -2.772 1.00 0.38 H new ATOM 0 HA ASN A 109 9.608 7.162 -0.528 1.00 0.44 H new ATOM 0 HB2 ASN A 109 10.201 9.448 -1.150 1.00 0.53 H new ATOM 0 HB3 ASN A 109 8.552 9.976 -0.877 1.00 0.53 H new ATOM 0 HD21 ASN A 109 10.281 8.681 2.637 1.00 1.16 H new ATOM 0 HD22 ASN A 109 10.131 7.605 1.244 1.00 1.16 H new ATOM 1548 N VAL A 110 7.718 6.525 0.849 1.00 0.41 N ATOM 1549 CA VAL A 110 6.698 6.315 1.824 1.00 0.42 C ATOM 1550 C VAL A 110 7.316 6.527 3.185 1.00 0.44 C ATOM 1551 O VAL A 110 7.735 5.593 3.862 1.00 0.48 O ATOM 1552 CB VAL A 110 6.125 4.891 1.673 1.00 0.43 C ATOM 1553 CG1 VAL A 110 5.182 4.849 0.481 1.00 0.60 C ATOM 1554 CG2 VAL A 110 7.255 3.881 1.481 1.00 0.77 C ATOM 0 H VAL A 110 8.479 5.846 0.850 1.00 0.41 H new ATOM 0 HA VAL A 110 5.871 7.013 1.692 1.00 0.42 H new ATOM 0 HB VAL A 110 5.577 4.629 2.578 1.00 0.43 H new ATOM 0 HG11 VAL A 110 4.776 3.843 0.373 1.00 0.60 H new ATOM 0 HG12 VAL A 110 4.366 5.554 0.638 1.00 0.60 H new ATOM 0 HG13 VAL A 110 5.727 5.119 -0.424 1.00 0.60 H new ATOM 0 HG21 VAL A 110 6.835 2.881 1.376 1.00 0.77 H new ATOM 0 HG22 VAL A 110 7.820 4.133 0.584 1.00 0.77 H new ATOM 0 HG23 VAL A 110 7.917 3.907 2.346 1.00 0.77 H new ATOM 1564 N ASN A 111 7.304 7.786 3.587 1.00 0.48 N ATOM 1565 CA ASN A 111 7.873 8.212 4.845 1.00 0.56 C ATOM 1566 C ASN A 111 7.840 9.730 4.927 1.00 0.62 C ATOM 1567 O ASN A 111 7.297 10.396 4.045 1.00 0.67 O ATOM 1568 CB ASN A 111 9.297 7.691 5.067 1.00 0.65 C ATOM 1569 CG ASN A 111 9.513 7.341 6.538 1.00 1.20 C ATOM 1570 OD1 ASN A 111 8.960 7.990 7.427 1.00 1.90 O ATOM 1571 ND2 ASN A 111 10.292 6.311 6.810 1.00 1.72 N ATOM 0 H ASN A 111 6.895 8.545 3.042 1.00 0.48 H new ATOM 0 HA ASN A 111 7.265 7.782 5.641 1.00 0.56 H new ATOM 0 HB2 ASN A 111 9.469 6.810 4.448 1.00 0.65 H new ATOM 0 HB3 ASN A 111 10.020 8.446 4.756 1.00 0.65 H new ATOM 0 HD21 ASN A 111 10.450 6.033 7.779 1.00 1.72 H new ATOM 0 HD22 ASN A 111 10.736 5.793 6.052 1.00 1.72 H new ATOM 1578 N GLY A 112 8.419 10.242 5.998 1.00 0.73 N ATOM 1579 CA GLY A 112 8.528 11.666 6.256 1.00 0.85 C ATOM 1580 C GLY A 112 8.743 12.588 5.083 1.00 0.93 C ATOM 1581 O GLY A 112 7.956 13.518 4.898 1.00 1.47 O ATOM 0 H GLY A 112 8.836 9.666 6.729 1.00 0.73 H new ATOM 0 HA2 GLY A 112 7.618 11.983 6.766 1.00 0.85 H new ATOM 0 HA3 GLY A 112 9.353 11.816 6.953 1.00 0.85 H new ATOM 1585 N GLU A 113 9.759 12.363 4.273 1.00 0.88 N ATOM 1586 CA GLU A 113 10.375 13.512 3.651 1.00 1.23 C ATOM 1587 C GLU A 113 9.587 14.092 2.480 1.00 1.10 C ATOM 1588 O GLU A 113 9.403 15.307 2.399 1.00 1.39 O ATOM 1589 CB GLU A 113 11.798 13.225 3.230 1.00 1.61 C ATOM 1590 CG GLU A 113 12.579 14.504 3.196 1.00 1.83 C ATOM 1591 CD GLU A 113 13.341 14.762 4.479 1.00 2.29 C ATOM 1592 OE1 GLU A 113 12.700 15.142 5.482 1.00 2.81 O ATOM 1593 OE2 GLU A 113 14.575 14.588 4.491 1.00 2.65 O ATOM 0 H GLU A 113 10.155 11.452 4.041 1.00 0.88 H new ATOM 0 HA GLU A 113 10.377 14.276 4.428 1.00 1.23 H new ATOM 0 HB2 GLU A 113 12.259 12.524 3.925 1.00 1.61 H new ATOM 0 HB3 GLU A 113 11.809 12.754 2.247 1.00 1.61 H new ATOM 0 HG2 GLU A 113 13.280 14.474 2.362 1.00 1.83 H new ATOM 0 HG3 GLU A 113 11.898 15.335 3.010 1.00 1.83 H new ATOM 1600 N ASN A 114 9.109 13.259 1.586 1.00 0.79 N ATOM 1601 CA ASN A 114 8.353 13.754 0.456 1.00 0.79 C ATOM 1602 C ASN A 114 7.065 12.984 0.350 1.00 0.79 C ATOM 1603 O ASN A 114 6.016 13.531 0.000 1.00 1.22 O ATOM 1604 CB ASN A 114 9.165 13.593 -0.838 1.00 0.87 C ATOM 1605 CG ASN A 114 8.463 14.149 -2.070 1.00 1.45 C ATOM 1606 OD1 ASN A 114 7.698 15.219 -1.901 1.00 2.06 O flip ATOM 1607 ND2 ASN A 114 8.625 13.627 -3.176 1.00 2.16 N flip ATOM 0 H ASN A 114 9.227 12.246 1.616 1.00 0.79 H new ATOM 0 HA ASN A 114 8.138 14.813 0.602 1.00 0.79 H new ATOM 0 HB2 ASN A 114 10.125 14.095 -0.720 1.00 0.87 H new ATOM 0 HB3 ASN A 114 9.375 12.535 -0.996 1.00 0.87 H new ATOM 0 HD21 ASN A 114 9.221 12.804 -3.269 1.00 2.16 H new ATOM 0 HD22 ASN A 114 8.163 14.018 -3.997 1.00 2.16 H new ATOM 1614 N ALA A 115 7.158 11.715 0.727 1.00 0.59 N ATOM 1615 CA ALA A 115 6.123 10.747 0.455 1.00 0.61 C ATOM 1616 C ALA A 115 5.699 10.850 -0.999 1.00 0.68 C ATOM 1617 O ALA A 115 6.399 11.424 -1.835 1.00 1.26 O ATOM 1618 CB ALA A 115 4.935 10.933 1.383 1.00 0.86 C ATOM 0 H ALA A 115 7.959 11.335 1.231 1.00 0.59 H new ATOM 0 HA ALA A 115 6.522 9.749 0.638 1.00 0.61 H new ATOM 0 HB1 ALA A 115 4.173 10.189 1.152 1.00 0.86 H new ATOM 0 HB2 ALA A 115 5.259 10.813 2.417 1.00 0.86 H new ATOM 0 HB3 ALA A 115 4.520 11.932 1.247 1.00 0.86 H new ATOM 1624 N HIS A 116 4.601 10.234 -1.329 1.00 0.42 N ATOM 1625 CA HIS A 116 3.928 10.563 -2.534 1.00 0.35 C ATOM 1626 C HIS A 116 2.611 11.176 -2.153 1.00 0.29 C ATOM 1627 O HIS A 116 2.006 10.698 -1.216 1.00 0.29 O ATOM 1628 CB HIS A 116 3.766 9.300 -3.368 1.00 0.35 C ATOM 1629 CG HIS A 116 2.820 9.436 -4.491 1.00 0.31 C ATOM 1630 ND1 HIS A 116 1.495 9.520 -4.255 1.00 0.33 N ATOM 1631 CD2 HIS A 116 2.983 9.584 -5.825 1.00 0.31 C ATOM 1632 CE1 HIS A 116 0.861 9.734 -5.360 1.00 0.32 C ATOM 1633 NE2 HIS A 116 1.729 9.776 -6.349 1.00 0.32 N ATOM 0 H HIS A 116 4.159 9.501 -0.774 1.00 0.42 H new ATOM 0 HA HIS A 116 4.484 11.277 -3.141 1.00 0.35 H new ATOM 0 HB2 HIS A 116 4.740 9.010 -3.761 1.00 0.35 H new ATOM 0 HB3 HIS A 116 3.430 8.491 -2.720 1.00 0.35 H new ATOM 0 HD2 HIS A 116 3.915 9.557 -6.370 1.00 0.31 H new ATOM 0 HE1 HIS A 116 -0.207 9.858 -5.457 1.00 0.32 H new ATOM 0 HE2 HIS A 116 1.508 9.925 -7.334 1.00 0.32 H new ATOM 1642 N PRO A 117 2.181 12.255 -2.828 1.00 0.31 N ATOM 1643 CA PRO A 117 0.939 12.964 -2.525 1.00 0.31 C ATOM 1644 C PRO A 117 -0.176 12.038 -2.029 1.00 0.26 C ATOM 1645 O PRO A 117 -0.877 12.360 -1.086 1.00 0.27 O ATOM 1646 CB PRO A 117 0.565 13.605 -3.869 1.00 0.37 C ATOM 1647 CG PRO A 117 1.752 13.438 -4.773 1.00 0.40 C ATOM 1648 CD PRO A 117 2.880 12.908 -3.934 1.00 0.38 C ATOM 0 HA PRO A 117 1.069 13.681 -1.715 1.00 0.31 H new ATOM 0 HB2 PRO A 117 -0.316 13.125 -4.295 1.00 0.37 H new ATOM 0 HB3 PRO A 117 0.322 14.660 -3.740 1.00 0.37 H new ATOM 0 HG2 PRO A 117 1.522 12.750 -5.587 1.00 0.40 H new ATOM 0 HG3 PRO A 117 2.026 14.390 -5.228 1.00 0.40 H new ATOM 0 HD2 PRO A 117 3.503 12.207 -4.490 1.00 0.38 H new ATOM 0 HD3 PRO A 117 3.534 13.707 -3.584 1.00 0.38 H new ATOM 1656 N LEU A 118 -0.296 10.873 -2.660 1.00 0.24 N ATOM 1657 CA LEU A 118 -1.261 9.851 -2.273 1.00 0.23 C ATOM 1658 C LEU A 118 -0.981 9.310 -0.868 1.00 0.27 C ATOM 1659 O LEU A 118 -1.881 9.214 -0.047 1.00 0.28 O ATOM 1660 CB LEU A 118 -1.217 8.726 -3.295 1.00 0.24 C ATOM 1661 CG LEU A 118 -2.150 7.556 -3.054 1.00 0.25 C ATOM 1662 CD1 LEU A 118 -3.577 7.975 -3.322 1.00 0.39 C ATOM 1663 CD2 LEU A 118 -1.763 6.374 -3.926 1.00 0.27 C ATOM 0 H LEU A 118 0.279 10.611 -3.461 1.00 0.24 H new ATOM 0 HA LEU A 118 -2.255 10.297 -2.250 1.00 0.23 H new ATOM 0 HB2 LEU A 118 -1.443 9.146 -4.275 1.00 0.24 H new ATOM 0 HB3 LEU A 118 -0.197 8.345 -3.339 1.00 0.24 H new ATOM 0 HG LEU A 118 -2.065 7.246 -2.012 1.00 0.25 H new ATOM 0 HD11 LEU A 118 -4.243 7.130 -3.147 1.00 0.39 H new ATOM 0 HD12 LEU A 118 -3.847 8.794 -2.655 1.00 0.39 H new ATOM 0 HD13 LEU A 118 -3.671 8.303 -4.357 1.00 0.39 H new ATOM 0 HD21 LEU A 118 -2.445 5.545 -3.738 1.00 0.27 H new ATOM 0 HD22 LEU A 118 -1.822 6.662 -4.976 1.00 0.27 H new ATOM 0 HD23 LEU A 118 -0.744 6.067 -3.691 1.00 0.27 H new ATOM 1675 N TYR A 119 0.271 8.952 -0.599 1.00 0.32 N ATOM 1676 CA TYR A 119 0.654 8.432 0.707 1.00 0.42 C ATOM 1677 C TYR A 119 0.800 9.528 1.728 1.00 0.40 C ATOM 1678 O TYR A 119 0.518 9.315 2.900 1.00 0.41 O ATOM 1679 CB TYR A 119 1.939 7.638 0.641 1.00 0.57 C ATOM 1680 CG TYR A 119 1.711 6.233 0.199 1.00 0.54 C ATOM 1681 CD1 TYR A 119 1.395 5.961 -1.113 1.00 0.92 C ATOM 1682 CD2 TYR A 119 1.810 5.180 1.093 1.00 1.09 C ATOM 1683 CE1 TYR A 119 1.190 4.677 -1.536 1.00 1.74 C ATOM 1684 CE2 TYR A 119 1.605 3.883 0.681 1.00 1.88 C ATOM 1685 CZ TYR A 119 1.299 3.635 -0.639 1.00 2.20 C ATOM 1686 OH TYR A 119 1.114 2.348 -1.065 1.00 3.04 O ATOM 0 H TYR A 119 1.037 9.013 -1.269 1.00 0.32 H new ATOM 0 HA TYR A 119 -0.155 7.770 1.016 1.00 0.42 H new ATOM 0 HB2 TYR A 119 2.630 8.126 -0.046 1.00 0.57 H new ATOM 0 HB3 TYR A 119 2.414 7.636 1.622 1.00 0.57 H new ATOM 0 HD1 TYR A 119 1.308 6.774 -1.819 1.00 0.92 H new ATOM 0 HD2 TYR A 119 2.051 5.379 2.127 1.00 1.09 H new ATOM 0 HE1 TYR A 119 0.944 4.479 -2.569 1.00 1.74 H new ATOM 0 HE2 TYR A 119 1.683 3.068 1.385 1.00 1.88 H new ATOM 0 HH TYR A 119 1.449 2.255 -1.981 1.00 3.04 H new ATOM 1696 N GLU A 120 1.262 10.688 1.296 1.00 0.40 N ATOM 1697 CA GLU A 120 1.265 11.844 2.161 1.00 0.42 C ATOM 1698 C GLU A 120 -0.159 12.106 2.538 1.00 0.37 C ATOM 1699 O GLU A 120 -0.454 12.450 3.675 1.00 0.43 O ATOM 1700 CB GLU A 120 1.863 13.071 1.463 1.00 0.50 C ATOM 1701 CG GLU A 120 2.998 13.738 2.226 1.00 0.76 C ATOM 1702 CD GLU A 120 2.652 14.051 3.665 1.00 1.58 C ATOM 1703 OE1 GLU A 120 1.830 14.959 3.895 1.00 2.44 O ATOM 1704 OE2 GLU A 120 3.181 13.381 4.573 1.00 1.93 O ATOM 0 H GLU A 120 1.635 10.850 0.361 1.00 0.40 H new ATOM 0 HA GLU A 120 1.882 11.653 3.039 1.00 0.42 H new ATOM 0 HB2 GLU A 120 2.228 12.773 0.480 1.00 0.50 H new ATOM 0 HB3 GLU A 120 1.072 13.803 1.300 1.00 0.50 H new ATOM 0 HG2 GLU A 120 3.872 13.088 2.204 1.00 0.76 H new ATOM 0 HG3 GLU A 120 3.274 14.662 1.717 1.00 0.76 H new ATOM 1711 N TYR A 121 -1.054 11.863 1.590 1.00 0.29 N ATOM 1712 CA TYR A 121 -2.466 11.954 1.901 1.00 0.28 C ATOM 1713 C TYR A 121 -2.876 10.802 2.811 1.00 0.27 C ATOM 1714 O TYR A 121 -3.760 10.947 3.655 1.00 0.29 O ATOM 1715 CB TYR A 121 -3.327 11.956 0.635 1.00 0.28 C ATOM 1716 CG TYR A 121 -4.792 11.751 0.916 1.00 0.30 C ATOM 1717 CD1 TYR A 121 -5.584 12.813 1.314 1.00 0.39 C ATOM 1718 CD2 TYR A 121 -5.383 10.509 0.759 1.00 0.33 C ATOM 1719 CE1 TYR A 121 -6.928 12.644 1.552 1.00 0.46 C ATOM 1720 CE2 TYR A 121 -6.730 10.334 0.991 1.00 0.41 C ATOM 1721 CZ TYR A 121 -7.473 11.345 1.482 1.00 0.46 C ATOM 1722 OH TYR A 121 -8.844 11.236 1.609 1.00 0.56 O ATOM 0 H TYR A 121 -0.833 11.609 0.627 1.00 0.29 H new ATOM 0 HA TYR A 121 -2.632 12.900 2.416 1.00 0.28 H new ATOM 0 HB2 TYR A 121 -3.193 12.903 0.113 1.00 0.28 H new ATOM 0 HB3 TYR A 121 -2.978 11.170 -0.035 1.00 0.28 H new ATOM 0 HD1 TYR A 121 -5.140 13.790 1.440 1.00 0.39 H new ATOM 0 HD2 TYR A 121 -4.781 9.667 0.451 1.00 0.33 H new ATOM 0 HE1 TYR A 121 -7.555 13.491 1.788 1.00 0.46 H new ATOM 0 HE2 TYR A 121 -7.193 9.382 0.778 1.00 0.41 H new ATOM 0 HH TYR A 121 -9.105 10.294 1.544 1.00 0.56 H new ATOM 1732 N MET A 122 -2.206 9.670 2.667 1.00 0.27 N ATOM 1733 CA MET A 122 -2.664 8.457 3.321 1.00 0.29 C ATOM 1734 C MET A 122 -2.334 8.494 4.793 1.00 0.33 C ATOM 1735 O MET A 122 -3.212 8.346 5.634 1.00 0.35 O ATOM 1736 CB MET A 122 -2.111 7.193 2.681 1.00 0.33 C ATOM 1737 CG MET A 122 -3.214 6.203 2.381 1.00 0.71 C ATOM 1738 SD MET A 122 -2.835 5.119 1.003 1.00 0.56 S ATOM 1739 CE MET A 122 -3.165 6.244 -0.336 1.00 0.55 C ATOM 0 H MET A 122 -1.356 9.566 2.112 1.00 0.27 H new ATOM 0 HA MET A 122 -3.746 8.422 3.195 1.00 0.29 H new ATOM 0 HB2 MET A 122 -1.588 7.448 1.760 1.00 0.33 H new ATOM 0 HB3 MET A 122 -1.379 6.735 3.347 1.00 0.33 H new ATOM 0 HG2 MET A 122 -3.403 5.599 3.269 1.00 0.71 H new ATOM 0 HG3 MET A 122 -4.133 6.747 2.164 1.00 0.71 H new ATOM 0 HE1 MET A 122 -4.024 5.890 -0.905 1.00 0.55 H new ATOM 0 HE2 MET A 122 -3.379 7.235 0.065 1.00 0.55 H new ATOM 0 HE3 MET A 122 -2.294 6.297 -0.989 1.00 0.55 H new ATOM 1749 N LYS A 123 -1.063 8.709 5.105 1.00 0.37 N ATOM 1750 CA LYS A 123 -0.637 8.777 6.490 1.00 0.45 C ATOM 1751 C LYS A 123 -1.136 10.045 7.163 1.00 0.47 C ATOM 1752 O LYS A 123 -1.295 10.068 8.379 1.00 0.54 O ATOM 1753 CB LYS A 123 0.884 8.613 6.649 1.00 0.53 C ATOM 1754 CG LYS A 123 1.729 9.274 5.573 1.00 0.48 C ATOM 1755 CD LYS A 123 1.682 10.795 5.637 1.00 1.00 C ATOM 1756 CE LYS A 123 2.304 11.332 6.917 1.00 1.05 C ATOM 1757 NZ LYS A 123 2.270 12.817 6.963 1.00 1.46 N ATOM 0 H LYS A 123 -0.317 8.838 4.422 1.00 0.37 H new ATOM 0 HA LYS A 123 -1.094 7.929 6.999 1.00 0.45 H new ATOM 0 HB2 LYS A 123 1.177 9.020 7.617 1.00 0.53 H new ATOM 0 HB3 LYS A 123 1.117 7.548 6.667 1.00 0.53 H new ATOM 0 HG2 LYS A 123 2.762 8.942 5.674 1.00 0.48 H new ATOM 0 HG3 LYS A 123 1.383 8.945 4.593 1.00 0.48 H new ATOM 0 HD2 LYS A 123 2.207 11.210 4.777 1.00 1.00 H new ATOM 0 HD3 LYS A 123 0.647 11.129 5.570 1.00 1.00 H new ATOM 0 HE2 LYS A 123 1.771 10.929 7.778 1.00 1.05 H new ATOM 0 HE3 LYS A 123 3.336 10.989 6.992 1.00 1.05 H new ATOM 0 HZ1 LYS A 123 2.608 13.143 7.891 1.00 1.46 H new ATOM 0 HZ2 LYS A 123 2.883 13.202 6.216 1.00 1.46 H new ATOM 0 HZ3 LYS A 123 1.295 13.147 6.815 1.00 1.46 H new ATOM 1771 N LYS A 124 -1.392 11.103 6.388 1.00 0.43 N ATOM 1772 CA LYS A 124 -1.907 12.322 6.987 1.00 0.50 C ATOM 1773 C LYS A 124 -3.355 12.109 7.417 1.00 0.49 C ATOM 1774 O LYS A 124 -3.835 12.721 8.373 1.00 0.57 O ATOM 1775 CB LYS A 124 -1.765 13.551 6.059 1.00 0.56 C ATOM 1776 CG LYS A 124 -2.821 13.691 4.964 1.00 0.59 C ATOM 1777 CD LYS A 124 -4.072 14.400 5.463 1.00 0.97 C ATOM 1778 CE LYS A 124 -5.070 14.625 4.342 1.00 1.41 C ATOM 1779 NZ LYS A 124 -6.332 15.234 4.836 1.00 1.99 N ATOM 0 H LYS A 124 -1.255 11.136 5.378 1.00 0.43 H new ATOM 0 HA LYS A 124 -1.302 12.544 7.866 1.00 0.50 H new ATOM 0 HB2 LYS A 124 -1.788 14.450 6.675 1.00 0.56 H new ATOM 0 HB3 LYS A 124 -0.784 13.513 5.586 1.00 0.56 H new ATOM 0 HG2 LYS A 124 -2.401 14.245 4.125 1.00 0.59 H new ATOM 0 HG3 LYS A 124 -3.089 12.703 4.591 1.00 0.59 H new ATOM 0 HD2 LYS A 124 -4.537 13.808 6.251 1.00 0.97 H new ATOM 0 HD3 LYS A 124 -3.797 15.358 5.904 1.00 0.97 H new ATOM 0 HE2 LYS A 124 -4.626 15.273 3.586 1.00 1.41 H new ATOM 0 HE3 LYS A 124 -5.291 13.674 3.857 1.00 1.41 H new ATOM 0 HZ1 LYS A 124 -6.986 15.371 4.039 1.00 1.99 H new ATOM 0 HZ2 LYS A 124 -6.769 14.605 5.539 1.00 1.99 H new ATOM 0 HZ3 LYS A 124 -6.125 16.153 5.276 1.00 1.99 H new ATOM 1793 N THR A 125 -4.039 11.225 6.705 1.00 0.42 N ATOM 1794 CA THR A 125 -5.434 10.918 7.007 1.00 0.44 C ATOM 1795 C THR A 125 -5.553 9.728 7.965 1.00 0.44 C ATOM 1796 O THR A 125 -6.544 9.595 8.690 1.00 0.56 O ATOM 1797 CB THR A 125 -6.222 10.613 5.714 1.00 0.49 C ATOM 1798 OG1 THR A 125 -6.028 11.668 4.766 1.00 0.57 O ATOM 1799 CG2 THR A 125 -7.710 10.461 5.991 1.00 0.59 C ATOM 0 H THR A 125 -3.654 10.707 5.915 1.00 0.42 H new ATOM 0 HA THR A 125 -5.858 11.799 7.490 1.00 0.44 H new ATOM 0 HB THR A 125 -5.847 9.672 5.311 1.00 0.49 H new ATOM 0 HG1 THR A 125 -5.220 11.491 4.241 1.00 0.57 H new ATOM 0 HG21 THR A 125 -8.234 10.247 5.059 1.00 0.59 H new ATOM 0 HG22 THR A 125 -7.868 9.642 6.692 1.00 0.59 H new ATOM 0 HG23 THR A 125 -8.096 11.385 6.420 1.00 0.59 H new ATOM 1807 N LYS A 126 -4.544 8.869 7.972 1.00 0.44 N ATOM 1808 CA LYS A 126 -4.596 7.633 8.738 1.00 0.54 C ATOM 1809 C LYS A 126 -3.235 7.231 9.281 1.00 0.57 C ATOM 1810 O LYS A 126 -2.369 6.790 8.525 1.00 0.68 O ATOM 1811 CB LYS A 126 -5.138 6.497 7.866 1.00 0.78 C ATOM 1812 CG LYS A 126 -6.644 6.504 7.749 1.00 1.26 C ATOM 1813 CD LYS A 126 -7.271 6.296 9.109 1.00 0.92 C ATOM 1814 CE LYS A 126 -8.762 6.583 9.095 1.00 1.27 C ATOM 1815 NZ LYS A 126 -9.078 7.856 8.396 1.00 1.85 N ATOM 0 H LYS A 126 -3.676 9.006 7.454 1.00 0.44 H new ATOM 0 HA LYS A 126 -5.258 7.813 9.585 1.00 0.54 H new ATOM 0 HB2 LYS A 126 -4.702 6.573 6.870 1.00 0.78 H new ATOM 0 HB3 LYS A 126 -4.817 5.542 8.283 1.00 0.78 H new ATOM 0 HG2 LYS A 126 -6.979 7.451 7.326 1.00 1.26 H new ATOM 0 HG3 LYS A 126 -6.967 5.718 7.067 1.00 1.26 H new ATOM 0 HD2 LYS A 126 -7.102 5.269 9.433 1.00 0.92 H new ATOM 0 HD3 LYS A 126 -6.783 6.945 9.837 1.00 0.92 H new ATOM 0 HE2 LYS A 126 -9.285 5.761 8.605 1.00 1.27 H new ATOM 0 HE3 LYS A 126 -9.132 6.631 10.119 1.00 1.27 H new ATOM 0 HZ1 LYS A 126 -9.972 8.241 8.763 1.00 1.85 H new ATOM 0 HZ2 LYS A 126 -8.313 8.541 8.560 1.00 1.85 H new ATOM 0 HZ3 LYS A 126 -9.171 7.678 7.376 1.00 1.85 H new ATOM 1829 N PRO A 127 -3.022 7.392 10.597 1.00 0.77 N ATOM 1830 CA PRO A 127 -1.882 6.802 11.287 1.00 1.04 C ATOM 1831 C PRO A 127 -2.133 5.323 11.595 1.00 1.27 C ATOM 1832 O PRO A 127 -1.234 4.591 12.008 1.00 1.69 O ATOM 1833 CB PRO A 127 -1.744 7.626 12.573 1.00 1.28 C ATOM 1834 CG PRO A 127 -2.828 8.663 12.525 1.00 1.22 C ATOM 1835 CD PRO A 127 -3.836 8.195 11.511 1.00 0.95 C ATOM 0 HA PRO A 127 -0.973 6.827 10.686 1.00 1.04 H new ATOM 0 HB2 PRO A 127 -1.850 6.993 13.454 1.00 1.28 H new ATOM 0 HB3 PRO A 127 -0.761 8.093 12.632 1.00 1.28 H new ATOM 0 HG2 PRO A 127 -3.292 8.782 13.504 1.00 1.22 H new ATOM 0 HG3 PRO A 127 -2.421 9.635 12.245 1.00 1.22 H new ATOM 0 HD2 PRO A 127 -4.630 7.606 11.971 1.00 0.95 H new ATOM 0 HD3 PRO A 127 -4.314 9.030 11.000 1.00 0.95 H new ATOM 1843 N GLY A 128 -3.373 4.894 11.393 1.00 1.55 N ATOM 1844 CA GLY A 128 -3.693 3.486 11.451 1.00 1.96 C ATOM 1845 C GLY A 128 -4.030 2.998 12.840 1.00 2.13 C ATOM 1846 O GLY A 128 -4.693 3.691 13.613 1.00 2.59 O ATOM 0 H GLY A 128 -4.165 5.503 11.189 1.00 1.55 H new ATOM 0 HA2 GLY A 128 -4.537 3.286 10.790 1.00 1.96 H new ATOM 0 HA3 GLY A 128 -2.847 2.914 11.069 1.00 1.96 H new ATOM 1850 N ILE A 129 -3.564 1.796 13.152 1.00 2.17 N ATOM 1851 CA ILE A 129 -3.876 1.148 14.418 1.00 2.46 C ATOM 1852 C ILE A 129 -3.237 1.864 15.607 1.00 2.36 C ATOM 1853 O ILE A 129 -3.690 1.711 16.744 1.00 2.70 O ATOM 1854 CB ILE A 129 -3.438 -0.330 14.413 1.00 2.91 C ATOM 1855 CG1 ILE A 129 -1.949 -0.452 14.078 1.00 3.06 C ATOM 1856 CG2 ILE A 129 -4.283 -1.124 13.425 1.00 3.44 C ATOM 1857 CD1 ILE A 129 -1.442 -1.878 14.072 1.00 3.58 C ATOM 0 H ILE A 129 -2.963 1.246 12.539 1.00 2.17 H new ATOM 0 HA ILE A 129 -4.959 1.201 14.530 1.00 2.46 H new ATOM 0 HB ILE A 129 -3.592 -0.743 15.410 1.00 2.91 H new ATOM 0 HG12 ILE A 129 -1.768 -0.007 13.099 1.00 3.06 H new ATOM 0 HG13 ILE A 129 -1.374 0.126 14.802 1.00 3.06 H new ATOM 0 HG21 ILE A 129 -3.965 -2.167 13.430 1.00 3.44 H new ATOM 0 HG22 ILE A 129 -5.333 -1.064 13.713 1.00 3.44 H new ATOM 0 HG23 ILE A 129 -4.157 -0.711 12.424 1.00 3.44 H new ATOM 0 HD11 ILE A 129 -0.380 -1.886 13.827 1.00 3.58 H new ATOM 0 HD12 ILE A 129 -1.590 -2.321 15.057 1.00 3.58 H new ATOM 0 HD13 ILE A 129 -1.990 -2.456 13.328 1.00 3.58 H new ATOM 1869 N LEU A 130 -2.193 2.647 15.352 1.00 2.12 N ATOM 1870 CA LEU A 130 -1.545 3.393 16.419 1.00 2.29 C ATOM 1871 C LEU A 130 -1.253 4.817 15.973 1.00 2.20 C ATOM 1872 O LEU A 130 -0.890 5.053 14.820 1.00 2.44 O ATOM 1873 CB LEU A 130 -0.265 2.682 16.886 1.00 2.58 C ATOM 1874 CG LEU A 130 0.889 2.610 15.881 1.00 2.89 C ATOM 1875 CD1 LEU A 130 1.877 3.742 16.116 1.00 3.36 C ATOM 1876 CD2 LEU A 130 1.591 1.264 15.979 1.00 3.47 C ATOM 0 H LEU A 130 -1.784 2.779 14.427 1.00 2.12 H new ATOM 0 HA LEU A 130 -2.226 3.439 17.269 1.00 2.29 H new ATOM 0 HB2 LEU A 130 0.096 3.186 17.783 1.00 2.58 H new ATOM 0 HB3 LEU A 130 -0.528 1.665 17.176 1.00 2.58 H new ATOM 0 HG LEU A 130 0.478 2.717 14.877 1.00 2.89 H new ATOM 0 HD11 LEU A 130 2.689 3.673 15.392 1.00 3.36 H new ATOM 0 HD12 LEU A 130 1.368 4.699 16.000 1.00 3.36 H new ATOM 0 HD13 LEU A 130 2.283 3.667 17.125 1.00 3.36 H new ATOM 0 HD21 LEU A 130 2.409 1.227 15.259 1.00 3.47 H new ATOM 0 HD22 LEU A 130 1.988 1.133 16.986 1.00 3.47 H new ATOM 0 HD23 LEU A 130 0.880 0.466 15.762 1.00 3.47 H new ATOM 1888 N ALA A 131 -1.439 5.756 16.887 1.00 2.45 N ATOM 1889 CA ALA A 131 -1.240 7.166 16.598 1.00 2.67 C ATOM 1890 C ALA A 131 0.225 7.475 16.332 1.00 2.55 C ATOM 1891 O ALA A 131 1.017 7.647 17.258 1.00 3.21 O ATOM 1892 CB ALA A 131 -1.757 8.018 17.748 1.00 3.28 C ATOM 0 H ALA A 131 -1.731 5.563 17.845 1.00 2.45 H new ATOM 0 HA ALA A 131 -1.803 7.406 15.696 1.00 2.67 H new ATOM 0 HB1 ALA A 131 -1.602 9.072 17.518 1.00 3.28 H new ATOM 0 HB2 ALA A 131 -2.821 7.831 17.890 1.00 3.28 H new ATOM 0 HB3 ALA A 131 -1.219 7.762 18.661 1.00 3.28 H new ATOM 1898 N THR A 132 0.582 7.529 15.064 1.00 2.02 N ATOM 1899 CA THR A 132 1.926 7.875 14.663 1.00 2.10 C ATOM 1900 C THR A 132 1.873 8.734 13.401 1.00 1.56 C ATOM 1901 O THR A 132 0.816 9.263 13.057 1.00 2.12 O ATOM 1902 CB THR A 132 2.792 6.611 14.438 1.00 2.73 C ATOM 1903 OG1 THR A 132 4.166 6.969 14.241 1.00 3.34 O ATOM 1904 CG2 THR A 132 2.298 5.806 13.243 1.00 3.56 C ATOM 0 H THR A 132 -0.050 7.335 14.288 1.00 2.02 H new ATOM 0 HA THR A 132 2.395 8.445 15.465 1.00 2.10 H new ATOM 0 HB THR A 132 2.706 5.993 15.332 1.00 2.73 H new ATOM 0 HG1 THR A 132 4.699 6.158 14.102 1.00 3.34 H new ATOM 0 HG21 THR A 132 2.927 4.926 13.112 1.00 3.56 H new ATOM 0 HG22 THR A 132 1.268 5.494 13.415 1.00 3.56 H new ATOM 0 HG23 THR A 132 2.345 6.422 12.345 1.00 3.56 H new ATOM 1912 N LYS A 133 2.993 8.881 12.722 1.00 1.29 N ATOM 1913 CA LYS A 133 3.047 9.686 11.517 1.00 1.47 C ATOM 1914 C LYS A 133 2.725 8.852 10.283 1.00 1.14 C ATOM 1915 O LYS A 133 1.566 8.699 9.894 1.00 1.58 O ATOM 1916 CB LYS A 133 4.431 10.286 11.347 1.00 2.24 C ATOM 1917 CG LYS A 133 4.843 11.244 12.454 1.00 3.04 C ATOM 1918 CD LYS A 133 6.217 11.838 12.182 1.00 3.81 C ATOM 1919 CE LYS A 133 6.230 12.642 10.891 1.00 4.63 C ATOM 1920 NZ LYS A 133 7.595 13.110 10.538 1.00 5.17 N ATOM 0 H LYS A 133 3.881 8.452 12.985 1.00 1.29 H new ATOM 0 HA LYS A 133 2.305 10.478 11.619 1.00 1.47 H new ATOM 0 HB2 LYS A 133 5.160 9.477 11.294 1.00 2.24 H new ATOM 0 HB3 LYS A 133 4.470 10.814 10.394 1.00 2.24 H new ATOM 0 HG2 LYS A 133 4.108 12.044 12.539 1.00 3.04 H new ATOM 0 HG3 LYS A 133 4.853 10.718 13.409 1.00 3.04 H new ATOM 0 HD2 LYS A 133 6.509 12.479 13.014 1.00 3.81 H new ATOM 0 HD3 LYS A 133 6.955 11.038 12.121 1.00 3.81 H new ATOM 0 HE2 LYS A 133 5.836 12.030 10.079 1.00 4.63 H new ATOM 0 HE3 LYS A 133 5.568 13.502 10.993 1.00 4.63 H new ATOM 0 HZ1 LYS A 133 7.557 13.653 9.652 1.00 5.17 H new ATOM 0 HZ2 LYS A 133 7.962 13.715 11.300 1.00 5.17 H new ATOM 0 HZ3 LYS A 133 8.222 12.290 10.415 1.00 5.17 H new ATOM 1934 N ALA A 134 3.772 8.287 9.692 1.00 0.92 N ATOM 1935 CA ALA A 134 3.656 7.584 8.429 1.00 0.77 C ATOM 1936 C ALA A 134 3.420 6.099 8.634 1.00 0.81 C ATOM 1937 O ALA A 134 3.489 5.628 9.768 1.00 1.59 O ATOM 1938 CB ALA A 134 4.904 7.806 7.583 1.00 1.02 C ATOM 0 H ALA A 134 4.717 8.305 10.075 1.00 0.92 H new ATOM 0 HA ALA A 134 2.791 7.989 7.904 1.00 0.77 H new ATOM 0 HB1 ALA A 134 4.803 7.272 6.638 1.00 1.02 H new ATOM 0 HB2 ALA A 134 5.026 8.871 7.387 1.00 1.02 H new ATOM 0 HB3 ALA A 134 5.777 7.433 8.118 1.00 1.02 H new ATOM 1944 N ILE A 135 3.142 5.392 7.536 1.00 0.69 N ATOM 1945 CA ILE A 135 2.801 3.955 7.531 1.00 0.74 C ATOM 1946 C ILE A 135 3.575 3.150 8.585 1.00 1.09 C ATOM 1947 O ILE A 135 2.977 2.279 9.211 1.00 2.00 O ATOM 1948 CB ILE A 135 3.025 3.332 6.136 1.00 0.86 C ATOM 1949 CG1 ILE A 135 3.118 4.400 5.032 1.00 0.88 C ATOM 1950 CG2 ILE A 135 1.870 2.400 5.823 1.00 1.54 C ATOM 1951 CD1 ILE A 135 4.466 5.079 4.912 1.00 0.89 C ATOM 0 H ILE A 135 3.146 5.805 6.603 1.00 0.69 H new ATOM 0 HA ILE A 135 1.743 3.901 7.788 1.00 0.74 H new ATOM 0 HB ILE A 135 3.971 2.792 6.159 1.00 0.86 H new ATOM 0 HG12 ILE A 135 2.875 3.935 4.076 1.00 0.88 H new ATOM 0 HG13 ILE A 135 2.360 5.161 5.218 1.00 0.88 H new ATOM 0 HG21 ILE A 135 2.018 1.954 4.839 1.00 1.54 H new ATOM 0 HG22 ILE A 135 1.824 1.612 6.575 1.00 1.54 H new ATOM 0 HG23 ILE A 135 0.936 2.963 5.829 1.00 1.54 H new ATOM 0 HD11 ILE A 135 4.433 5.814 4.108 1.00 0.89 H new ATOM 0 HD12 ILE A 135 4.707 5.578 5.851 1.00 0.89 H new ATOM 0 HD13 ILE A 135 5.230 4.334 4.691 1.00 0.89 H new ATOM 1963 N LYS A 136 4.871 3.497 8.800 1.00 0.85 N ATOM 1964 CA LYS A 136 5.763 2.874 9.819 1.00 1.14 C ATOM 1965 C LYS A 136 6.833 1.984 9.200 1.00 0.75 C ATOM 1966 O LYS A 136 8.030 2.241 9.305 1.00 0.78 O ATOM 1967 CB LYS A 136 5.023 1.983 10.829 1.00 1.71 C ATOM 1968 CG LYS A 136 4.494 2.647 12.082 1.00 2.72 C ATOM 1969 CD LYS A 136 4.063 1.572 13.077 1.00 3.21 C ATOM 1970 CE LYS A 136 3.001 0.655 12.479 1.00 4.09 C ATOM 1971 NZ LYS A 136 2.829 -0.600 13.266 1.00 4.81 N ATOM 0 H LYS A 136 5.335 4.229 8.262 1.00 0.85 H new ATOM 0 HA LYS A 136 6.200 3.738 10.320 1.00 1.14 H new ATOM 0 HB2 LYS A 136 4.183 1.515 10.315 1.00 1.71 H new ATOM 0 HB3 LYS A 136 5.698 1.182 11.131 1.00 1.71 H new ATOM 0 HG2 LYS A 136 5.263 3.281 12.524 1.00 2.72 H new ATOM 0 HG3 LYS A 136 3.650 3.292 11.837 1.00 2.72 H new ATOM 0 HD2 LYS A 136 4.929 0.982 13.376 1.00 3.21 H new ATOM 0 HD3 LYS A 136 3.673 2.044 13.979 1.00 3.21 H new ATOM 0 HE2 LYS A 136 2.050 1.186 12.433 1.00 4.09 H new ATOM 0 HE3 LYS A 136 3.276 0.404 11.455 1.00 4.09 H new ATOM 0 HZ1 LYS A 136 2.484 -1.357 12.642 1.00 4.81 H new ATOM 0 HZ2 LYS A 136 3.742 -0.880 13.678 1.00 4.81 H new ATOM 0 HZ3 LYS A 136 2.140 -0.440 14.029 1.00 4.81 H new ATOM 1985 N TRP A 137 6.360 0.919 8.590 1.00 0.69 N ATOM 1986 CA TRP A 137 7.133 -0.296 8.354 1.00 0.45 C ATOM 1987 C TRP A 137 7.217 -0.612 6.870 1.00 0.43 C ATOM 1988 O TRP A 137 6.891 0.225 6.036 1.00 0.55 O ATOM 1989 CB TRP A 137 6.493 -1.483 9.101 1.00 0.42 C ATOM 1990 CG TRP A 137 7.187 -1.898 10.358 1.00 0.62 C ATOM 1991 CD1 TRP A 137 7.546 -3.161 10.726 1.00 0.93 C ATOM 1992 CD2 TRP A 137 7.592 -1.048 11.416 1.00 1.00 C ATOM 1993 NE1 TRP A 137 8.155 -3.131 11.956 1.00 1.11 N ATOM 1994 CE2 TRP A 137 8.199 -1.837 12.394 1.00 1.16 C ATOM 1995 CE3 TRP A 137 7.496 0.309 11.614 1.00 1.47 C ATOM 1996 CZ2 TRP A 137 8.717 -1.296 13.562 1.00 1.59 C ATOM 1997 CZ3 TRP A 137 8.006 0.862 12.765 1.00 1.97 C ATOM 1998 CH2 TRP A 137 8.615 0.058 13.733 1.00 1.97 C ATOM 0 H TRP A 137 5.406 0.866 8.233 1.00 0.69 H new ATOM 0 HA TRP A 137 8.143 -0.131 8.729 1.00 0.45 H new ATOM 0 HB2 TRP A 137 5.462 -1.225 9.343 1.00 0.42 H new ATOM 0 HB3 TRP A 137 6.457 -2.338 8.426 1.00 0.42 H new ATOM 0 HD1 TRP A 137 7.377 -4.051 10.138 1.00 0.93 H new ATOM 0 HE1 TRP A 137 8.515 -3.941 12.460 1.00 1.11 H new ATOM 0 HE3 TRP A 137 7.024 0.936 10.872 1.00 1.47 H new ATOM 0 HZ2 TRP A 137 9.184 -1.921 14.309 1.00 1.59 H new ATOM 0 HZ3 TRP A 137 7.935 1.928 12.923 1.00 1.97 H new ATOM 0 HH2 TRP A 137 9.011 0.512 14.629 1.00 1.97 H new ATOM 2009 N ASN A 138 7.833 -1.755 6.583 1.00 0.37 N ATOM 2010 CA ASN A 138 7.616 -2.531 5.339 1.00 0.38 C ATOM 2011 C ASN A 138 6.152 -2.468 4.854 1.00 0.31 C ATOM 2012 O ASN A 138 5.464 -1.499 5.064 1.00 0.30 O ATOM 2013 CB ASN A 138 7.954 -4.004 5.575 1.00 0.41 C ATOM 2014 CG ASN A 138 9.436 -4.283 5.739 1.00 1.06 C ATOM 2015 OD1 ASN A 138 9.823 -5.169 6.495 1.00 2.04 O ATOM 2016 ND2 ASN A 138 10.270 -3.564 5.009 1.00 1.40 N ATOM 0 H ASN A 138 8.511 -2.186 7.211 1.00 0.37 H new ATOM 0 HA ASN A 138 8.263 -2.087 4.582 1.00 0.38 H new ATOM 0 HB2 ASN A 138 7.430 -4.347 6.467 1.00 0.41 H new ATOM 0 HB3 ASN A 138 7.576 -4.591 4.738 1.00 0.41 H new ATOM 0 HD21 ASN A 138 11.274 -3.737 5.062 1.00 1.40 H new ATOM 0 HD22 ASN A 138 9.910 -2.836 4.392 1.00 1.40 H new ATOM 2023 N PHE A 139 5.744 -3.507 4.126 1.00 0.34 N ATOM 2024 CA PHE A 139 4.447 -3.614 3.408 1.00 0.36 C ATOM 2025 C PHE A 139 3.231 -2.851 4.005 1.00 0.32 C ATOM 2026 O PHE A 139 2.282 -2.659 3.271 1.00 0.57 O ATOM 2027 CB PHE A 139 4.096 -5.092 3.338 1.00 0.55 C ATOM 2028 CG PHE A 139 4.263 -5.727 1.989 1.00 0.55 C ATOM 2029 CD1 PHE A 139 5.519 -5.760 1.420 1.00 0.61 C ATOM 2030 CD2 PHE A 139 3.182 -6.253 1.268 1.00 1.23 C ATOM 2031 CE1 PHE A 139 5.722 -6.303 0.175 1.00 1.22 C ATOM 2032 CE2 PHE A 139 3.384 -6.794 0.011 1.00 1.93 C ATOM 2033 CZ PHE A 139 4.485 -6.979 -0.479 1.00 1.89 C ATOM 0 H PHE A 139 6.323 -4.339 4.007 1.00 0.34 H new ATOM 0 HA PHE A 139 4.612 -3.133 2.444 1.00 0.36 H new ATOM 0 HB2 PHE A 139 4.717 -5.630 4.054 1.00 0.55 H new ATOM 0 HB3 PHE A 139 3.061 -5.218 3.655 1.00 0.55 H new ATOM 0 HD1 PHE A 139 6.358 -5.351 1.963 1.00 0.61 H new ATOM 0 HD2 PHE A 139 2.190 -6.236 1.695 1.00 1.23 H new ATOM 0 HE1 PHE A 139 6.682 -6.263 -0.319 1.00 1.22 H new ATOM 0 HE2 PHE A 139 2.516 -7.068 -0.570 1.00 1.93 H new ATOM 0 HZ PHE A 139 4.599 -7.603 -1.353 1.00 1.89 H new ATOM 2043 N THR A 140 3.222 -2.505 5.310 1.00 0.25 N ATOM 2044 CA THR A 140 2.189 -1.676 5.949 1.00 0.25 C ATOM 2045 C THR A 140 1.171 -1.053 4.971 1.00 0.22 C ATOM 2046 O THR A 140 1.506 -0.261 4.086 1.00 0.29 O ATOM 2047 CB THR A 140 2.843 -0.560 6.772 1.00 0.37 C ATOM 2048 OG1 THR A 140 4.139 -0.971 7.199 1.00 0.48 O ATOM 2049 CG2 THR A 140 2.006 -0.222 7.993 1.00 0.60 C ATOM 0 H THR A 140 3.950 -2.803 5.959 1.00 0.25 H new ATOM 0 HA THR A 140 1.626 -2.357 6.587 1.00 0.25 H new ATOM 0 HB THR A 140 2.919 0.325 6.140 1.00 0.37 H new ATOM 0 HG1 THR A 140 4.762 -0.926 6.444 1.00 0.48 H new ATOM 0 HG21 THR A 140 2.493 0.572 8.559 1.00 0.60 H new ATOM 0 HG22 THR A 140 1.018 0.111 7.676 1.00 0.60 H new ATOM 0 HG23 THR A 140 1.906 -1.107 8.622 1.00 0.60 H new ATOM 2057 N SER A 141 -0.076 -1.403 5.192 1.00 0.19 N ATOM 2058 CA SER A 141 -1.164 -1.146 4.255 1.00 0.20 C ATOM 2059 C SER A 141 -2.041 0.002 4.735 1.00 0.22 C ATOM 2060 O SER A 141 -1.986 0.360 5.897 1.00 0.39 O ATOM 2061 CB SER A 141 -2.004 -2.400 4.186 1.00 0.26 C ATOM 2062 OG SER A 141 -1.196 -3.549 4.350 1.00 0.62 O ATOM 0 H SER A 141 -0.375 -1.883 6.041 1.00 0.19 H new ATOM 0 HA SER A 141 -0.752 -0.877 3.282 1.00 0.20 H new ATOM 0 HB2 SER A 141 -2.770 -2.374 4.961 1.00 0.26 H new ATOM 0 HB3 SER A 141 -2.521 -2.446 3.227 1.00 0.26 H new ATOM 0 HG SER A 141 -1.125 -4.023 3.495 1.00 0.62 H new ATOM 2068 N PHE A 142 -2.855 0.566 3.851 1.00 0.19 N ATOM 2069 CA PHE A 142 -3.920 1.458 4.263 1.00 0.18 C ATOM 2070 C PHE A 142 -5.177 0.903 3.685 1.00 0.18 C ATOM 2071 O PHE A 142 -5.264 0.703 2.487 1.00 0.21 O ATOM 2072 CB PHE A 142 -3.725 2.878 3.740 1.00 0.22 C ATOM 2073 CG PHE A 142 -2.534 3.603 4.288 1.00 0.26 C ATOM 2074 CD1 PHE A 142 -2.623 4.317 5.471 1.00 0.35 C ATOM 2075 CD2 PHE A 142 -1.310 3.528 3.645 1.00 0.42 C ATOM 2076 CE1 PHE A 142 -1.516 4.943 6.000 1.00 0.50 C ATOM 2077 CE2 PHE A 142 -0.200 4.160 4.166 1.00 0.55 C ATOM 2078 CZ PHE A 142 -0.357 5.023 5.256 1.00 0.57 C ATOM 0 H PHE A 142 -2.794 0.418 2.844 1.00 0.19 H new ATOM 0 HA PHE A 142 -3.941 1.519 5.351 1.00 0.18 H new ATOM 0 HB2 PHE A 142 -3.638 2.839 2.654 1.00 0.22 H new ATOM 0 HB3 PHE A 142 -4.619 3.458 3.968 1.00 0.22 H new ATOM 0 HD1 PHE A 142 -3.571 4.384 5.985 1.00 0.35 H new ATOM 0 HD2 PHE A 142 -1.223 2.968 2.725 1.00 0.42 H new ATOM 0 HE1 PHE A 142 -1.555 5.369 6.992 1.00 0.50 H new ATOM 0 HE2 PHE A 142 0.777 3.991 3.738 1.00 0.55 H new ATOM 0 HZ PHE A 142 0.413 5.737 5.510 1.00 0.57 H new ATOM 2088 N LEU A 143 -6.147 0.625 4.502 1.00 0.17 N ATOM 2089 CA LEU A 143 -7.352 0.091 3.961 1.00 0.16 C ATOM 2090 C LEU A 143 -8.146 1.220 3.389 1.00 0.15 C ATOM 2091 O LEU A 143 -8.776 1.989 4.093 1.00 0.18 O ATOM 2092 CB LEU A 143 -8.132 -0.668 5.014 1.00 0.21 C ATOM 2093 CG LEU A 143 -9.638 -0.731 4.777 1.00 0.23 C ATOM 2094 CD1 LEU A 143 -9.985 -1.698 3.657 1.00 0.41 C ATOM 2095 CD2 LEU A 143 -10.369 -1.100 6.051 1.00 0.43 C ATOM 0 H LEU A 143 -6.129 0.755 5.514 1.00 0.17 H new ATOM 0 HA LEU A 143 -7.123 -0.626 3.172 1.00 0.16 H new ATOM 0 HB2 LEU A 143 -7.745 -1.685 5.069 1.00 0.21 H new ATOM 0 HB3 LEU A 143 -7.951 -0.205 5.984 1.00 0.21 H new ATOM 0 HG LEU A 143 -9.965 0.262 4.469 1.00 0.23 H new ATOM 0 HD11 LEU A 143 -11.066 -1.718 3.515 1.00 0.41 H new ATOM 0 HD12 LEU A 143 -9.504 -1.374 2.734 1.00 0.41 H new ATOM 0 HD13 LEU A 143 -9.635 -2.697 3.917 1.00 0.41 H new ATOM 0 HD21 LEU A 143 -11.441 -1.139 5.857 1.00 0.43 H new ATOM 0 HD22 LEU A 143 -10.027 -2.076 6.397 1.00 0.43 H new ATOM 0 HD23 LEU A 143 -10.166 -0.352 6.817 1.00 0.43 H new ATOM 2107 N ILE A 144 -8.079 1.305 2.094 1.00 0.14 N ATOM 2108 CA ILE A 144 -8.716 2.348 1.360 1.00 0.14 C ATOM 2109 C ILE A 144 -10.123 1.894 1.048 1.00 0.15 C ATOM 2110 O ILE A 144 -10.334 0.724 0.754 1.00 0.19 O ATOM 2111 CB ILE A 144 -7.940 2.612 0.065 1.00 0.15 C ATOM 2112 CG1 ILE A 144 -6.460 2.851 0.344 1.00 0.17 C ATOM 2113 CG2 ILE A 144 -8.544 3.779 -0.679 1.00 0.17 C ATOM 2114 CD1 ILE A 144 -6.180 4.042 1.201 1.00 0.19 C ATOM 0 H ILE A 144 -7.571 0.639 1.512 1.00 0.14 H new ATOM 0 HA ILE A 144 -8.740 3.272 1.937 1.00 0.14 H new ATOM 0 HB ILE A 144 -8.015 1.724 -0.563 1.00 0.15 H new ATOM 0 HG12 ILE A 144 -6.046 1.966 0.826 1.00 0.17 H new ATOM 0 HG13 ILE A 144 -5.938 2.970 -0.605 1.00 0.17 H new ATOM 0 HG21 ILE A 144 -7.983 3.955 -1.597 1.00 0.17 H new ATOM 0 HG22 ILE A 144 -9.582 3.555 -0.926 1.00 0.17 H new ATOM 0 HG23 ILE A 144 -8.504 4.670 -0.052 1.00 0.17 H new ATOM 0 HD11 ILE A 144 -5.105 4.139 1.350 1.00 0.19 H new ATOM 0 HD12 ILE A 144 -6.561 4.939 0.713 1.00 0.19 H new ATOM 0 HD13 ILE A 144 -6.670 3.919 2.167 1.00 0.19 H new ATOM 2126 N ASP A 145 -11.080 2.791 1.112 1.00 0.14 N ATOM 2127 CA ASP A 145 -12.475 2.355 1.072 1.00 0.15 C ATOM 2128 C ASP A 145 -13.038 2.435 -0.342 1.00 0.14 C ATOM 2129 O ASP A 145 -12.302 2.710 -1.284 1.00 0.15 O ATOM 2130 CB ASP A 145 -13.332 3.135 2.087 1.00 0.19 C ATOM 2131 CG ASP A 145 -14.214 4.210 1.478 1.00 0.58 C ATOM 2132 OD1 ASP A 145 -13.694 5.118 0.811 1.00 0.98 O ATOM 2133 OD2 ASP A 145 -15.444 4.136 1.668 1.00 0.75 O ATOM 0 H ASP A 145 -10.937 3.798 1.190 1.00 0.14 H new ATOM 0 HA ASP A 145 -12.510 1.306 1.368 1.00 0.15 H new ATOM 0 HB2 ASP A 145 -13.963 2.429 2.627 1.00 0.19 H new ATOM 0 HB3 ASP A 145 -12.671 3.598 2.820 1.00 0.19 H new ATOM 2138 N ARG A 146 -14.332 2.164 -0.485 1.00 0.17 N ATOM 2139 CA ARG A 146 -14.978 2.131 -1.794 1.00 0.17 C ATOM 2140 C ARG A 146 -14.768 3.434 -2.557 1.00 0.18 C ATOM 2141 O ARG A 146 -14.524 3.426 -3.761 1.00 0.22 O ATOM 2142 CB ARG A 146 -16.472 1.872 -1.638 1.00 0.19 C ATOM 2143 CG ARG A 146 -16.797 0.624 -0.840 1.00 0.24 C ATOM 2144 CD ARG A 146 -18.291 0.430 -0.723 1.00 0.29 C ATOM 2145 NE ARG A 146 -18.936 1.645 -0.237 1.00 1.00 N ATOM 2146 CZ ARG A 146 -20.207 1.962 -0.448 1.00 1.46 C ATOM 2147 NH1 ARG A 146 -21.005 1.142 -1.122 1.00 1.63 N ATOM 2148 NH2 ARG A 146 -20.670 3.116 0.012 1.00 2.22 N ATOM 0 H ARG A 146 -14.958 1.963 0.295 1.00 0.17 H new ATOM 0 HA ARG A 146 -14.521 1.322 -2.364 1.00 0.17 H new ATOM 0 HB2 ARG A 146 -16.932 2.733 -1.152 1.00 0.19 H new ATOM 0 HB3 ARG A 146 -16.922 1.787 -2.627 1.00 0.19 H new ATOM 0 HG2 ARG A 146 -16.350 -0.246 -1.321 1.00 0.24 H new ATOM 0 HG3 ARG A 146 -16.357 0.699 0.155 1.00 0.24 H new ATOM 0 HD2 ARG A 146 -18.704 0.158 -1.694 1.00 0.29 H new ATOM 0 HD3 ARG A 146 -18.503 -0.396 -0.044 1.00 0.29 H new ATOM 0 HE ARG A 146 -18.369 2.298 0.304 1.00 1.00 H new ATOM 0 HH11 ARG A 146 -20.642 0.260 -1.483 1.00 1.63 H new ATOM 0 HH12 ARG A 146 -21.981 1.395 -1.279 1.00 1.63 H new ATOM 0 HH21 ARG A 146 -20.051 3.747 0.521 1.00 2.22 H new ATOM 0 HH22 ARG A 146 -21.645 3.373 -0.143 1.00 2.22 H new ATOM 2162 N ASP A 147 -14.844 4.551 -1.853 1.00 0.18 N ATOM 2163 CA ASP A 147 -14.700 5.851 -2.487 1.00 0.21 C ATOM 2164 C ASP A 147 -13.256 6.281 -2.428 1.00 0.18 C ATOM 2165 O ASP A 147 -12.945 7.435 -2.683 1.00 0.24 O ATOM 2166 CB ASP A 147 -15.570 6.909 -1.797 1.00 0.28 C ATOM 2167 CG ASP A 147 -17.047 6.565 -1.794 1.00 1.09 C ATOM 2168 OD1 ASP A 147 -17.504 5.899 -0.836 1.00 2.00 O ATOM 2169 OD2 ASP A 147 -17.763 6.980 -2.727 1.00 1.19 O ATOM 0 H ASP A 147 -15.004 4.584 -0.846 1.00 0.18 H new ATOM 0 HA ASP A 147 -15.026 5.761 -3.523 1.00 0.21 H new ATOM 0 HB2 ASP A 147 -15.231 7.033 -0.768 1.00 0.28 H new ATOM 0 HB3 ASP A 147 -15.429 7.867 -2.297 1.00 0.28 H new ATOM 2174 N GLY A 148 -12.378 5.339 -2.116 1.00 0.16 N ATOM 2175 CA GLY A 148 -10.972 5.636 -2.004 1.00 0.16 C ATOM 2176 C GLY A 148 -10.614 6.413 -0.754 1.00 0.15 C ATOM 2177 O GLY A 148 -9.707 7.235 -0.782 1.00 0.17 O ATOM 0 H GLY A 148 -12.622 4.365 -1.937 1.00 0.16 H new ATOM 0 HA2 GLY A 148 -10.410 4.702 -2.015 1.00 0.16 H new ATOM 0 HA3 GLY A 148 -10.659 6.206 -2.878 1.00 0.16 H new ATOM 2181 N VAL A 149 -11.306 6.172 0.344 1.00 0.17 N ATOM 2182 CA VAL A 149 -10.963 6.841 1.589 1.00 0.18 C ATOM 2183 C VAL A 149 -10.301 5.875 2.573 1.00 0.17 C ATOM 2184 O VAL A 149 -10.951 4.984 3.110 1.00 0.24 O ATOM 2185 CB VAL A 149 -12.198 7.479 2.260 1.00 0.28 C ATOM 2186 CG1 VAL A 149 -11.786 8.294 3.476 1.00 0.97 C ATOM 2187 CG2 VAL A 149 -12.965 8.346 1.274 1.00 1.12 C ATOM 0 H VAL A 149 -12.096 5.530 0.402 1.00 0.17 H new ATOM 0 HA VAL A 149 -10.259 7.632 1.330 1.00 0.18 H new ATOM 0 HB VAL A 149 -12.856 6.675 2.589 1.00 0.28 H new ATOM 0 HG11 VAL A 149 -12.671 8.735 3.935 1.00 0.97 H new ATOM 0 HG12 VAL A 149 -11.289 7.645 4.197 1.00 0.97 H new ATOM 0 HG13 VAL A 149 -11.103 9.086 3.169 1.00 0.97 H new ATOM 0 HG21 VAL A 149 -13.830 8.784 1.771 1.00 1.12 H new ATOM 0 HG22 VAL A 149 -12.316 9.141 0.907 1.00 1.12 H new ATOM 0 HG23 VAL A 149 -13.299 7.735 0.435 1.00 1.12 H new ATOM 2197 N PRO A 150 -8.981 6.027 2.774 1.00 0.21 N ATOM 2198 CA PRO A 150 -8.215 5.280 3.778 1.00 0.20 C ATOM 2199 C PRO A 150 -8.905 5.274 5.143 1.00 0.23 C ATOM 2200 O PRO A 150 -9.210 6.327 5.712 1.00 0.34 O ATOM 2201 CB PRO A 150 -6.888 6.041 3.882 1.00 0.26 C ATOM 2202 CG PRO A 150 -6.938 7.143 2.869 1.00 0.29 C ATOM 2203 CD PRO A 150 -8.135 6.921 1.999 1.00 0.41 C ATOM 0 HA PRO A 150 -8.103 4.235 3.490 1.00 0.20 H new ATOM 0 HB2 PRO A 150 -6.752 6.445 4.885 1.00 0.26 H new ATOM 0 HB3 PRO A 150 -6.046 5.377 3.689 1.00 0.26 H new ATOM 0 HG2 PRO A 150 -7.002 8.112 3.364 1.00 0.29 H new ATOM 0 HG3 PRO A 150 -6.028 7.150 2.269 1.00 0.29 H new ATOM 0 HD2 PRO A 150 -8.645 7.858 1.777 1.00 0.41 H new ATOM 0 HD3 PRO A 150 -7.856 6.476 1.044 1.00 0.41 H new ATOM 2211 N VAL A 151 -9.122 4.085 5.667 1.00 0.22 N ATOM 2212 CA VAL A 151 -9.816 3.898 6.921 1.00 0.29 C ATOM 2213 C VAL A 151 -8.862 3.282 7.928 1.00 0.32 C ATOM 2214 O VAL A 151 -8.869 3.623 9.104 1.00 0.61 O ATOM 2215 CB VAL A 151 -11.042 2.967 6.755 1.00 0.42 C ATOM 2216 CG1 VAL A 151 -11.817 2.855 8.056 1.00 1.45 C ATOM 2217 CG2 VAL A 151 -11.949 3.453 5.637 1.00 1.13 C ATOM 0 H VAL A 151 -8.818 3.215 5.229 1.00 0.22 H new ATOM 0 HA VAL A 151 -10.167 4.871 7.266 1.00 0.29 H new ATOM 0 HB VAL A 151 -10.673 1.977 6.488 1.00 0.42 H new ATOM 0 HG11 VAL A 151 -12.673 2.196 7.914 1.00 1.45 H new ATOM 0 HG12 VAL A 151 -11.169 2.446 8.831 1.00 1.45 H new ATOM 0 HG13 VAL A 151 -12.166 3.843 8.358 1.00 1.45 H new ATOM 0 HG21 VAL A 151 -12.802 2.781 5.542 1.00 1.13 H new ATOM 0 HG22 VAL A 151 -12.303 4.458 5.866 1.00 1.13 H new ATOM 0 HG23 VAL A 151 -11.394 3.469 4.699 1.00 1.13 H new ATOM 2227 N GLU A 152 -8.016 2.389 7.442 1.00 0.19 N ATOM 2228 CA GLU A 152 -7.107 1.647 8.313 1.00 0.20 C ATOM 2229 C GLU A 152 -5.689 1.681 7.797 1.00 0.20 C ATOM 2230 O GLU A 152 -5.431 2.104 6.677 1.00 0.19 O ATOM 2231 CB GLU A 152 -7.532 0.189 8.427 1.00 0.21 C ATOM 2232 CG GLU A 152 -8.948 0.026 8.900 1.00 0.57 C ATOM 2233 CD GLU A 152 -9.110 0.292 10.386 1.00 0.63 C ATOM 2234 OE1 GLU A 152 -9.231 1.474 10.772 1.00 1.17 O ATOM 2235 OE2 GLU A 152 -9.134 -0.673 11.175 1.00 1.17 O ATOM 0 H GLU A 152 -7.936 2.157 6.452 1.00 0.19 H new ATOM 0 HA GLU A 152 -7.150 2.130 9.289 1.00 0.20 H new ATOM 0 HB2 GLU A 152 -7.421 -0.293 7.456 1.00 0.21 H new ATOM 0 HB3 GLU A 152 -6.863 -0.326 9.116 1.00 0.21 H new ATOM 0 HG2 GLU A 152 -9.592 0.706 8.342 1.00 0.57 H new ATOM 0 HG3 GLU A 152 -9.285 -0.987 8.679 1.00 0.57 H new ATOM 2242 N ARG A 153 -4.778 1.271 8.649 1.00 0.23 N ATOM 2243 CA ARG A 153 -3.429 0.947 8.239 1.00 0.24 C ATOM 2244 C ARG A 153 -2.960 -0.310 8.965 1.00 0.25 C ATOM 2245 O ARG A 153 -3.114 -0.424 10.181 1.00 0.39 O ATOM 2246 CB ARG A 153 -2.485 2.107 8.505 1.00 0.36 C ATOM 2247 CG ARG A 153 -1.020 1.832 8.192 1.00 0.40 C ATOM 2248 CD ARG A 153 -0.145 2.693 9.069 1.00 0.47 C ATOM 2249 NE ARG A 153 -0.264 4.115 8.754 1.00 0.65 N ATOM 2250 CZ ARG A 153 0.363 5.065 9.435 1.00 1.51 C ATOM 2251 NH1 ARG A 153 1.120 4.736 10.467 1.00 2.16 N ATOM 2252 NH2 ARG A 153 0.211 6.340 9.105 1.00 1.85 N ATOM 0 H ARG A 153 -4.950 1.152 9.647 1.00 0.23 H new ATOM 0 HA ARG A 153 -3.425 0.759 7.165 1.00 0.24 H new ATOM 0 HB2 ARG A 153 -2.812 2.964 7.916 1.00 0.36 H new ATOM 0 HB3 ARG A 153 -2.569 2.391 9.554 1.00 0.36 H new ATOM 0 HG2 ARG A 153 -0.794 0.779 8.358 1.00 0.40 H new ATOM 0 HG3 ARG A 153 -0.817 2.040 7.142 1.00 0.40 H new ATOM 0 HD2 ARG A 153 -0.412 2.532 10.113 1.00 0.47 H new ATOM 0 HD3 ARG A 153 0.894 2.385 8.955 1.00 0.47 H new ATOM 0 HE ARG A 153 -0.858 4.391 7.972 1.00 0.65 H new ATOM 0 HH11 ARG A 153 1.219 3.757 10.735 1.00 2.16 H new ATOM 0 HH12 ARG A 153 1.605 5.461 10.995 1.00 2.16 H new ATOM 0 HH21 ARG A 153 -0.391 6.596 8.323 1.00 1.85 H new ATOM 0 HH22 ARG A 153 0.696 7.065 9.633 1.00 1.85 H new ATOM 2266 N PHE A 154 -2.379 -1.237 8.219 1.00 0.24 N ATOM 2267 CA PHE A 154 -2.023 -2.551 8.748 1.00 0.22 C ATOM 2268 C PHE A 154 -0.518 -2.742 8.693 1.00 0.24 C ATOM 2269 O PHE A 154 0.093 -2.407 7.700 1.00 0.32 O ATOM 2270 CB PHE A 154 -2.685 -3.653 7.915 1.00 0.22 C ATOM 2271 CG PHE A 154 -4.189 -3.675 7.967 1.00 0.20 C ATOM 2272 CD1 PHE A 154 -4.938 -2.913 7.085 1.00 0.22 C ATOM 2273 CD2 PHE A 154 -4.850 -4.432 8.922 1.00 0.21 C ATOM 2274 CE1 PHE A 154 -6.320 -2.907 7.154 1.00 0.24 C ATOM 2275 CE2 PHE A 154 -6.230 -4.424 8.997 1.00 0.22 C ATOM 2276 CZ PHE A 154 -6.965 -3.772 8.017 1.00 0.22 C ATOM 0 H PHE A 154 -2.141 -1.104 7.236 1.00 0.24 H new ATOM 0 HA PHE A 154 -2.369 -2.611 9.780 1.00 0.22 H new ATOM 0 HB2 PHE A 154 -2.374 -3.538 6.877 1.00 0.22 H new ATOM 0 HB3 PHE A 154 -2.311 -4.619 8.255 1.00 0.22 H new ATOM 0 HD1 PHE A 154 -4.438 -2.317 6.336 1.00 0.22 H new ATOM 0 HD2 PHE A 154 -4.281 -5.034 9.615 1.00 0.21 H new ATOM 0 HE1 PHE A 154 -6.891 -2.230 6.537 1.00 0.24 H new ATOM 0 HE2 PHE A 154 -6.733 -4.922 9.813 1.00 0.22 H new ATOM 0 HZ PHE A 154 -8.028 -3.939 7.930 1.00 0.22 H new ATOM 2286 N SER A 155 0.071 -3.292 9.742 1.00 0.22 N ATOM 2287 CA SER A 155 1.517 -3.529 9.767 1.00 0.25 C ATOM 2288 C SER A 155 1.875 -4.603 8.731 1.00 0.22 C ATOM 2289 O SER A 155 1.026 -5.425 8.406 1.00 0.26 O ATOM 2290 CB SER A 155 1.947 -3.972 11.168 1.00 0.35 C ATOM 2291 OG SER A 155 1.566 -3.012 12.145 1.00 1.11 O ATOM 0 H SER A 155 -0.421 -3.584 10.587 1.00 0.22 H new ATOM 0 HA SER A 155 2.043 -2.607 9.519 1.00 0.25 H new ATOM 0 HB2 SER A 155 1.495 -4.935 11.404 1.00 0.35 H new ATOM 0 HB3 SER A 155 3.028 -4.113 11.193 1.00 0.35 H new ATOM 0 HG SER A 155 2.034 -3.197 12.986 1.00 1.11 H new ATOM 2297 N PRO A 156 3.103 -4.618 8.189 1.00 0.25 N ATOM 2298 CA PRO A 156 3.480 -5.536 7.101 1.00 0.29 C ATOM 2299 C PRO A 156 3.181 -6.993 7.430 1.00 0.39 C ATOM 2300 O PRO A 156 2.610 -7.714 6.618 1.00 0.78 O ATOM 2301 CB PRO A 156 4.990 -5.322 6.939 1.00 0.34 C ATOM 2302 CG PRO A 156 5.419 -4.555 8.143 1.00 0.36 C ATOM 2303 CD PRO A 156 4.222 -3.765 8.587 1.00 0.33 C ATOM 0 HA PRO A 156 2.912 -5.329 6.194 1.00 0.29 H new ATOM 0 HB2 PRO A 156 5.516 -6.275 6.873 1.00 0.34 H new ATOM 0 HB3 PRO A 156 5.212 -4.772 6.025 1.00 0.34 H new ATOM 0 HG2 PRO A 156 5.756 -5.227 8.932 1.00 0.36 H new ATOM 0 HG3 PRO A 156 6.254 -3.896 7.907 1.00 0.36 H new ATOM 0 HD2 PRO A 156 4.232 -3.587 9.662 1.00 0.33 H new ATOM 0 HD3 PRO A 156 4.179 -2.790 8.102 1.00 0.33 H new ATOM 2311 N GLY A 157 3.592 -7.414 8.613 1.00 0.36 N ATOM 2312 CA GLY A 157 3.301 -8.755 9.087 1.00 0.46 C ATOM 2313 C GLY A 157 1.825 -9.034 9.364 1.00 0.41 C ATOM 2314 O GLY A 157 1.502 -10.067 9.955 1.00 0.50 O ATOM 0 H GLY A 157 4.130 -6.844 9.265 1.00 0.36 H new ATOM 0 HA2 GLY A 157 3.658 -9.471 8.347 1.00 0.46 H new ATOM 0 HA3 GLY A 157 3.867 -8.932 10.002 1.00 0.46 H new ATOM 2318 N ALA A 158 0.923 -8.139 8.963 1.00 0.34 N ATOM 2319 CA ALA A 158 -0.500 -8.446 9.027 1.00 0.31 C ATOM 2320 C ALA A 158 -0.839 -9.418 7.908 1.00 0.34 C ATOM 2321 O ALA A 158 -0.242 -9.358 6.833 1.00 0.50 O ATOM 2322 CB ALA A 158 -1.345 -7.186 8.915 1.00 0.37 C ATOM 0 H ALA A 158 1.148 -7.214 8.598 1.00 0.34 H new ATOM 0 HA ALA A 158 -0.724 -8.898 9.993 1.00 0.31 H new ATOM 0 HB1 ALA A 158 -2.401 -7.450 8.966 1.00 0.37 H new ATOM 0 HB2 ALA A 158 -1.100 -6.510 9.734 1.00 0.37 H new ATOM 0 HB3 ALA A 158 -1.140 -6.694 7.964 1.00 0.37 H new ATOM 2328 N SER A 159 -1.779 -10.314 8.145 1.00 0.26 N ATOM 2329 CA SER A 159 -2.064 -11.343 7.185 1.00 0.30 C ATOM 2330 C SER A 159 -3.322 -11.001 6.425 1.00 0.23 C ATOM 2331 O SER A 159 -4.018 -10.038 6.763 1.00 0.22 O ATOM 2332 CB SER A 159 -2.216 -12.702 7.871 1.00 0.41 C ATOM 2333 OG SER A 159 -3.371 -12.738 8.694 1.00 1.42 O ATOM 0 H SER A 159 -2.350 -10.344 8.990 1.00 0.26 H new ATOM 0 HA SER A 159 -1.229 -11.406 6.488 1.00 0.30 H new ATOM 0 HB2 SER A 159 -2.279 -13.487 7.117 1.00 0.41 H new ATOM 0 HB3 SER A 159 -1.331 -12.909 8.473 1.00 0.41 H new ATOM 0 HG SER A 159 -3.294 -12.058 9.395 1.00 1.42 H new ATOM 2339 N VAL A 160 -3.589 -11.784 5.400 1.00 0.22 N ATOM 2340 CA VAL A 160 -4.805 -11.675 4.616 1.00 0.20 C ATOM 2341 C VAL A 160 -6.016 -11.455 5.522 1.00 0.21 C ATOM 2342 O VAL A 160 -6.791 -10.524 5.331 1.00 0.20 O ATOM 2343 CB VAL A 160 -5.010 -12.983 3.841 1.00 0.24 C ATOM 2344 CG1 VAL A 160 -6.266 -12.939 2.985 1.00 0.28 C ATOM 2345 CG2 VAL A 160 -3.792 -13.307 2.993 1.00 0.26 C ATOM 0 H VAL A 160 -2.961 -12.523 5.083 1.00 0.22 H new ATOM 0 HA VAL A 160 -4.710 -10.828 3.937 1.00 0.20 H new ATOM 0 HB VAL A 160 -5.140 -13.779 4.574 1.00 0.24 H new ATOM 0 HG11 VAL A 160 -6.376 -13.883 2.452 1.00 0.28 H new ATOM 0 HG12 VAL A 160 -7.135 -12.779 3.623 1.00 0.28 H new ATOM 0 HG13 VAL A 160 -6.188 -12.123 2.266 1.00 0.28 H new ATOM 0 HG21 VAL A 160 -3.962 -14.239 2.453 1.00 0.26 H new ATOM 0 HG22 VAL A 160 -3.620 -12.501 2.280 1.00 0.26 H new ATOM 0 HG23 VAL A 160 -2.919 -13.414 3.636 1.00 0.26 H new ATOM 2355 N LYS A 161 -6.117 -12.288 6.551 1.00 0.26 N ATOM 2356 CA LYS A 161 -7.282 -12.316 7.421 1.00 0.31 C ATOM 2357 C LYS A 161 -7.335 -11.079 8.315 1.00 0.26 C ATOM 2358 O LYS A 161 -8.416 -10.584 8.638 1.00 0.27 O ATOM 2359 CB LYS A 161 -7.243 -13.594 8.262 1.00 0.45 C ATOM 2360 CG LYS A 161 -8.513 -13.869 9.048 1.00 1.12 C ATOM 2361 CD LYS A 161 -8.453 -15.232 9.717 1.00 1.80 C ATOM 2362 CE LYS A 161 -8.347 -16.353 8.690 1.00 2.67 C ATOM 2363 NZ LYS A 161 -8.155 -17.681 9.327 1.00 3.46 N ATOM 0 H LYS A 161 -5.394 -12.961 6.804 1.00 0.26 H new ATOM 0 HA LYS A 161 -8.184 -12.309 6.809 1.00 0.31 H new ATOM 0 HB2 LYS A 161 -7.047 -14.441 7.604 1.00 0.45 H new ATOM 0 HB3 LYS A 161 -6.406 -13.531 8.958 1.00 0.45 H new ATOM 0 HG2 LYS A 161 -8.653 -13.095 9.803 1.00 1.12 H new ATOM 0 HG3 LYS A 161 -9.375 -13.824 8.382 1.00 1.12 H new ATOM 0 HD2 LYS A 161 -7.596 -15.271 10.390 1.00 1.80 H new ATOM 0 HD3 LYS A 161 -9.344 -15.379 10.327 1.00 1.80 H new ATOM 0 HE2 LYS A 161 -9.250 -16.372 8.080 1.00 2.67 H new ATOM 0 HE3 LYS A 161 -7.513 -16.150 8.018 1.00 2.67 H new ATOM 0 HZ1 LYS A 161 -8.088 -18.413 8.591 1.00 3.46 H new ATOM 0 HZ2 LYS A 161 -7.279 -17.673 9.888 1.00 3.46 H new ATOM 0 HZ3 LYS A 161 -8.963 -17.888 9.948 1.00 3.46 H new ATOM 2377 N ASP A 162 -6.163 -10.563 8.681 1.00 0.26 N ATOM 2378 CA ASP A 162 -6.078 -9.398 9.555 1.00 0.27 C ATOM 2379 C ASP A 162 -6.623 -8.183 8.837 1.00 0.22 C ATOM 2380 O ASP A 162 -7.285 -7.332 9.425 1.00 0.26 O ATOM 2381 CB ASP A 162 -4.628 -9.128 9.968 1.00 0.33 C ATOM 2382 CG ASP A 162 -4.071 -10.166 10.913 1.00 0.78 C ATOM 2383 OD1 ASP A 162 -4.471 -10.186 12.091 1.00 0.86 O ATOM 2384 OD2 ASP A 162 -3.213 -10.961 10.483 1.00 1.40 O ATOM 0 H ASP A 162 -5.260 -10.934 8.385 1.00 0.26 H new ATOM 0 HA ASP A 162 -6.666 -9.599 10.450 1.00 0.27 H new ATOM 0 HB2 ASP A 162 -4.005 -9.089 9.075 1.00 0.33 H new ATOM 0 HB3 ASP A 162 -4.569 -8.148 10.441 1.00 0.33 H new ATOM 2389 N ILE A 163 -6.330 -8.119 7.553 1.00 0.18 N ATOM 2390 CA ILE A 163 -6.771 -7.025 6.715 1.00 0.15 C ATOM 2391 C ILE A 163 -8.206 -7.241 6.243 1.00 0.14 C ATOM 2392 O ILE A 163 -8.998 -6.296 6.209 1.00 0.15 O ATOM 2393 CB ILE A 163 -5.827 -6.865 5.506 1.00 0.14 C ATOM 2394 CG1 ILE A 163 -4.465 -6.304 5.948 1.00 0.15 C ATOM 2395 CG2 ILE A 163 -6.453 -5.977 4.441 1.00 0.15 C ATOM 2396 CD1 ILE A 163 -3.428 -6.318 4.848 1.00 0.21 C ATOM 0 H ILE A 163 -5.780 -8.824 7.063 1.00 0.18 H new ATOM 0 HA ILE A 163 -6.744 -6.110 7.307 1.00 0.15 H new ATOM 0 HB ILE A 163 -5.666 -7.852 5.072 1.00 0.14 H new ATOM 0 HG12 ILE A 163 -4.598 -5.281 6.300 1.00 0.15 H new ATOM 0 HG13 ILE A 163 -4.097 -6.886 6.793 1.00 0.15 H new ATOM 0 HG21 ILE A 163 -5.767 -5.880 3.599 1.00 0.15 H new ATOM 0 HG22 ILE A 163 -7.387 -6.422 4.099 1.00 0.15 H new ATOM 0 HG23 ILE A 163 -6.654 -4.991 4.861 1.00 0.15 H new ATOM 0 HD11 ILE A 163 -2.491 -5.909 5.226 1.00 0.21 H new ATOM 0 HD12 ILE A 163 -3.268 -7.342 4.512 1.00 0.21 H new ATOM 0 HD13 ILE A 163 -3.777 -5.712 4.012 1.00 0.21 H new ATOM 2408 N GLU A 164 -8.546 -8.484 5.900 1.00 0.13 N ATOM 2409 CA GLU A 164 -9.882 -8.799 5.400 1.00 0.13 C ATOM 2410 C GLU A 164 -10.961 -8.306 6.348 1.00 0.15 C ATOM 2411 O GLU A 164 -11.956 -7.749 5.917 1.00 0.15 O ATOM 2412 CB GLU A 164 -10.111 -10.302 5.233 1.00 0.14 C ATOM 2413 CG GLU A 164 -9.525 -10.929 3.989 1.00 0.20 C ATOM 2414 CD GLU A 164 -9.998 -12.360 3.816 1.00 0.30 C ATOM 2415 OE1 GLU A 164 -11.165 -12.559 3.417 1.00 0.60 O ATOM 2416 OE2 GLU A 164 -9.217 -13.291 4.090 1.00 0.67 O ATOM 0 H GLU A 164 -7.917 -9.285 5.959 1.00 0.13 H new ATOM 0 HA GLU A 164 -9.943 -8.300 4.433 1.00 0.13 H new ATOM 0 HB2 GLU A 164 -9.695 -10.811 6.102 1.00 0.14 H new ATOM 0 HB3 GLU A 164 -11.185 -10.488 5.238 1.00 0.14 H new ATOM 0 HG2 GLU A 164 -9.809 -10.342 3.115 1.00 0.20 H new ATOM 0 HG3 GLU A 164 -8.437 -10.908 4.047 1.00 0.20 H new ATOM 2423 N GLU A 165 -10.771 -8.535 7.638 1.00 0.18 N ATOM 2424 CA GLU A 165 -11.793 -8.208 8.632 1.00 0.21 C ATOM 2425 C GLU A 165 -12.183 -6.731 8.586 1.00 0.21 C ATOM 2426 O GLU A 165 -13.285 -6.362 8.992 1.00 0.27 O ATOM 2427 CB GLU A 165 -11.325 -8.570 10.043 1.00 0.27 C ATOM 2428 CG GLU A 165 -10.181 -7.710 10.552 1.00 0.47 C ATOM 2429 CD GLU A 165 -10.031 -7.781 12.056 1.00 0.66 C ATOM 2430 OE1 GLU A 165 -10.675 -6.979 12.764 1.00 0.87 O ATOM 2431 OE2 GLU A 165 -9.258 -8.639 12.534 1.00 0.83 O ATOM 0 H GLU A 165 -9.921 -8.945 8.025 1.00 0.18 H new ATOM 0 HA GLU A 165 -12.672 -8.802 8.383 1.00 0.21 H new ATOM 0 HB2 GLU A 165 -12.167 -8.480 10.729 1.00 0.27 H new ATOM 0 HB3 GLU A 165 -11.014 -9.615 10.055 1.00 0.27 H new ATOM 0 HG2 GLU A 165 -9.252 -8.031 10.081 1.00 0.47 H new ATOM 0 HG3 GLU A 165 -10.348 -6.675 10.255 1.00 0.47 H new ATOM 2438 N LYS A 166 -11.285 -5.889 8.100 1.00 0.19 N ATOM 2439 CA LYS A 166 -11.592 -4.482 7.932 1.00 0.20 C ATOM 2440 C LYS A 166 -11.984 -4.203 6.484 1.00 0.19 C ATOM 2441 O LYS A 166 -12.725 -3.267 6.187 1.00 0.25 O ATOM 2442 CB LYS A 166 -10.402 -3.616 8.347 1.00 0.25 C ATOM 2443 CG LYS A 166 -10.054 -3.714 9.827 1.00 0.38 C ATOM 2444 CD LYS A 166 -11.268 -3.451 10.707 1.00 0.58 C ATOM 2445 CE LYS A 166 -10.881 -3.256 12.167 1.00 1.09 C ATOM 2446 NZ LYS A 166 -10.129 -4.414 12.719 1.00 1.71 N ATOM 0 H LYS A 166 -10.342 -6.156 7.817 1.00 0.19 H new ATOM 0 HA LYS A 166 -12.433 -4.228 8.577 1.00 0.20 H new ATOM 0 HB2 LYS A 166 -9.531 -3.906 7.759 1.00 0.25 H new ATOM 0 HB3 LYS A 166 -10.619 -2.576 8.103 1.00 0.25 H new ATOM 0 HG2 LYS A 166 -9.656 -4.705 10.043 1.00 0.38 H new ATOM 0 HG3 LYS A 166 -9.269 -2.996 10.065 1.00 0.38 H new ATOM 0 HD2 LYS A 166 -11.791 -2.564 10.349 1.00 0.58 H new ATOM 0 HD3 LYS A 166 -11.964 -4.286 10.624 1.00 0.58 H new ATOM 0 HE2 LYS A 166 -10.274 -2.355 12.261 1.00 1.09 H new ATOM 0 HE3 LYS A 166 -11.782 -3.097 12.760 1.00 1.09 H new ATOM 0 HZ1 LYS A 166 -10.125 -4.362 13.758 1.00 1.71 H new ATOM 0 HZ2 LYS A 166 -10.585 -5.299 12.418 1.00 1.71 H new ATOM 0 HZ3 LYS A 166 -9.150 -4.392 12.368 1.00 1.71 H new ATOM 2460 N LEU A 167 -11.502 -5.059 5.601 1.00 0.15 N ATOM 2461 CA LEU A 167 -11.718 -4.932 4.170 1.00 0.15 C ATOM 2462 C LEU A 167 -13.109 -5.404 3.748 1.00 0.15 C ATOM 2463 O LEU A 167 -13.821 -4.710 3.024 1.00 0.16 O ATOM 2464 CB LEU A 167 -10.676 -5.772 3.442 1.00 0.13 C ATOM 2465 CG LEU A 167 -11.038 -6.118 2.009 1.00 0.14 C ATOM 2466 CD1 LEU A 167 -10.831 -4.919 1.107 1.00 0.16 C ATOM 2467 CD2 LEU A 167 -10.244 -7.312 1.527 1.00 0.16 C ATOM 0 H LEU A 167 -10.943 -5.872 5.860 1.00 0.15 H new ATOM 0 HA LEU A 167 -11.632 -3.876 3.913 1.00 0.15 H new ATOM 0 HB2 LEU A 167 -9.728 -5.235 3.445 1.00 0.13 H new ATOM 0 HB3 LEU A 167 -10.520 -6.697 3.998 1.00 0.13 H new ATOM 0 HG LEU A 167 -12.093 -6.388 1.974 1.00 0.14 H new ATOM 0 HD11 LEU A 167 -11.095 -5.184 0.083 1.00 0.16 H new ATOM 0 HD12 LEU A 167 -11.463 -4.097 1.444 1.00 0.16 H new ATOM 0 HD13 LEU A 167 -9.786 -4.612 1.144 1.00 0.16 H new ATOM 0 HD21 LEU A 167 -10.520 -7.541 0.498 1.00 0.16 H new ATOM 0 HD22 LEU A 167 -9.179 -7.084 1.575 1.00 0.16 H new ATOM 0 HD23 LEU A 167 -10.460 -8.172 2.161 1.00 0.16 H new ATOM 2479 N ILE A 168 -13.467 -6.601 4.197 1.00 0.16 N ATOM 2480 CA ILE A 168 -14.692 -7.271 3.781 1.00 0.19 C ATOM 2481 C ILE A 168 -15.940 -6.412 4.028 1.00 0.22 C ATOM 2482 O ILE A 168 -16.780 -6.300 3.139 1.00 0.25 O ATOM 2483 CB ILE A 168 -14.850 -8.652 4.460 1.00 0.20 C ATOM 2484 CG1 ILE A 168 -13.634 -9.541 4.154 1.00 0.19 C ATOM 2485 CG2 ILE A 168 -16.133 -9.328 3.991 1.00 0.26 C ATOM 2486 CD1 ILE A 168 -13.659 -10.868 4.883 1.00 0.24 C ATOM 0 H ILE A 168 -12.912 -7.137 4.864 1.00 0.16 H new ATOM 0 HA ILE A 168 -14.602 -7.425 2.706 1.00 0.19 H new ATOM 0 HB ILE A 168 -14.909 -8.505 5.538 1.00 0.20 H new ATOM 0 HG12 ILE A 168 -13.589 -9.726 3.081 1.00 0.19 H new ATOM 0 HG13 ILE A 168 -12.724 -9.004 4.423 1.00 0.19 H new ATOM 0 HG21 ILE A 168 -16.231 -10.299 4.477 1.00 0.26 H new ATOM 0 HG22 ILE A 168 -16.989 -8.704 4.250 1.00 0.26 H new ATOM 0 HG23 ILE A 168 -16.098 -9.465 2.910 1.00 0.26 H new ATOM 0 HD11 ILE A 168 -12.772 -11.444 4.621 1.00 0.24 H new ATOM 0 HD12 ILE A 168 -13.672 -10.692 5.959 1.00 0.24 H new ATOM 0 HD13 ILE A 168 -14.551 -11.424 4.595 1.00 0.24 H new ATOM 2498 N PRO A 169 -16.094 -5.791 5.223 1.00 0.24 N ATOM 2499 CA PRO A 169 -17.205 -4.863 5.485 1.00 0.29 C ATOM 2500 C PRO A 169 -17.279 -3.727 4.461 1.00 0.29 C ATOM 2501 O PRO A 169 -18.348 -3.172 4.213 1.00 0.41 O ATOM 2502 CB PRO A 169 -16.894 -4.306 6.875 1.00 0.34 C ATOM 2503 CG PRO A 169 -16.062 -5.356 7.521 1.00 0.40 C ATOM 2504 CD PRO A 169 -15.242 -5.962 6.419 1.00 0.24 C ATOM 0 HA PRO A 169 -18.169 -5.367 5.419 1.00 0.29 H new ATOM 0 HB2 PRO A 169 -16.359 -3.359 6.812 1.00 0.34 H new ATOM 0 HB3 PRO A 169 -17.807 -4.119 7.441 1.00 0.34 H new ATOM 0 HG2 PRO A 169 -15.423 -4.929 8.294 1.00 0.40 H new ATOM 0 HG3 PRO A 169 -16.686 -6.108 8.003 1.00 0.40 H new ATOM 0 HD2 PRO A 169 -14.284 -5.455 6.306 1.00 0.24 H new ATOM 0 HD3 PRO A 169 -15.025 -7.013 6.611 1.00 0.24 H new ATOM 2512 N LEU A 170 -16.140 -3.382 3.867 1.00 0.22 N ATOM 2513 CA LEU A 170 -16.106 -2.349 2.844 1.00 0.22 C ATOM 2514 C LEU A 170 -16.407 -2.927 1.463 1.00 0.20 C ATOM 2515 O LEU A 170 -17.147 -2.319 0.691 1.00 0.23 O ATOM 2516 CB LEU A 170 -14.765 -1.614 2.840 1.00 0.24 C ATOM 2517 CG LEU A 170 -14.532 -0.662 4.007 1.00 0.33 C ATOM 2518 CD1 LEU A 170 -13.147 -0.047 3.901 1.00 0.71 C ATOM 2519 CD2 LEU A 170 -15.599 0.424 4.033 1.00 0.69 C ATOM 0 H LEU A 170 -15.234 -3.802 4.077 1.00 0.22 H new ATOM 0 HA LEU A 170 -16.886 -1.627 3.086 1.00 0.22 H new ATOM 0 HB2 LEU A 170 -13.965 -2.355 2.833 1.00 0.24 H new ATOM 0 HB3 LEU A 170 -14.684 -1.049 1.912 1.00 0.24 H new ATOM 0 HG LEU A 170 -14.598 -1.224 4.939 1.00 0.33 H new ATOM 0 HD11 LEU A 170 -12.986 0.633 4.738 1.00 0.71 H new ATOM 0 HD12 LEU A 170 -12.396 -0.836 3.925 1.00 0.71 H new ATOM 0 HD13 LEU A 170 -13.064 0.505 2.964 1.00 0.71 H new ATOM 0 HD21 LEU A 170 -15.416 1.094 4.873 1.00 0.69 H new ATOM 0 HD22 LEU A 170 -15.564 0.991 3.103 1.00 0.69 H new ATOM 0 HD23 LEU A 170 -16.582 -0.034 4.142 1.00 0.69 H new ATOM 2531 N LEU A 171 -15.836 -4.093 1.147 1.00 0.18 N ATOM 2532 CA LEU A 171 -16.136 -4.769 -0.126 1.00 0.20 C ATOM 2533 C LEU A 171 -17.611 -5.075 -0.199 1.00 0.27 C ATOM 2534 O LEU A 171 -18.311 -4.704 -1.142 1.00 0.34 O ATOM 2535 CB LEU A 171 -15.380 -6.092 -0.254 1.00 0.26 C ATOM 2536 CG LEU A 171 -13.874 -5.966 -0.281 1.00 0.17 C ATOM 2537 CD1 LEU A 171 -13.223 -7.334 -0.311 1.00 0.26 C ATOM 2538 CD2 LEU A 171 -13.448 -5.153 -1.486 1.00 0.31 C ATOM 0 H LEU A 171 -15.172 -4.586 1.744 1.00 0.18 H new ATOM 0 HA LEU A 171 -15.829 -4.100 -0.930 1.00 0.20 H new ATOM 0 HB2 LEU A 171 -15.661 -6.736 0.579 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -15.704 -6.592 -1.167 1.00 0.26 H new ATOM 0 HG LEU A 171 -13.549 -5.455 0.626 1.00 0.17 H new ATOM 0 HD11 LEU A 171 -12.139 -7.221 -0.330 1.00 0.26 H new ATOM 0 HD12 LEU A 171 -13.514 -7.895 0.577 1.00 0.26 H new ATOM 0 HD13 LEU A 171 -13.547 -7.872 -1.202 1.00 0.26 H new ATOM 0 HD21 LEU A 171 -12.362 -5.065 -1.500 1.00 0.31 H new ATOM 0 HD22 LEU A 171 -13.784 -5.649 -2.397 1.00 0.31 H new ATOM 0 HD23 LEU A 171 -13.891 -4.159 -1.429 1.00 0.31 H new ATOM 2550 N GLY A 172 -18.055 -5.755 0.837 1.00 0.29 N ATOM 2551 CA GLY A 172 -19.435 -6.146 0.958 1.00 0.39 C ATOM 2552 C GLY A 172 -20.370 -4.971 1.209 1.00 0.66 C ATOM 2553 O GLY A 172 -21.583 -5.154 1.314 1.00 1.12 O ATOM 0 H GLY A 172 -17.466 -6.050 1.616 1.00 0.29 H new ATOM 0 HA2 GLY A 172 -19.742 -6.659 0.046 1.00 0.39 H new ATOM 0 HA3 GLY A 172 -19.533 -6.861 1.774 1.00 0.39 H new ATOM 2557 N SER A 173 -19.792 -3.774 1.321 1.00 0.85 N ATOM 2558 CA SER A 173 -20.543 -2.529 1.462 1.00 1.33 C ATOM 2559 C SER A 173 -21.493 -2.549 2.662 1.00 1.84 C ATOM 2560 O SER A 173 -22.700 -2.748 2.521 1.00 2.43 O ATOM 2561 CB SER A 173 -21.305 -2.221 0.170 1.00 2.03 C ATOM 2562 OG SER A 173 -20.404 -2.063 -0.917 1.00 2.64 O ATOM 0 H SER A 173 -18.781 -3.642 1.316 1.00 0.85 H new ATOM 0 HA SER A 173 -19.820 -1.735 1.649 1.00 1.33 H new ATOM 0 HB2 SER A 173 -22.006 -3.027 -0.046 1.00 2.03 H new ATOM 0 HB3 SER A 173 -21.894 -1.312 0.296 1.00 2.03 H new ATOM 0 HG SER A 173 -20.908 -1.868 -1.734 1.00 2.64 H new ATOM 2568 N ALA A 174 -20.931 -2.351 3.849 1.00 2.40 N ATOM 2569 CA ALA A 174 -21.732 -2.192 5.055 1.00 3.35 C ATOM 2570 C ALA A 174 -22.530 -0.895 4.993 1.00 3.69 C ATOM 2571 O ALA A 174 -23.618 -0.785 5.559 1.00 4.35 O ATOM 2572 CB ALA A 174 -20.843 -2.211 6.286 1.00 4.30 C ATOM 0 H ALA A 174 -19.924 -2.297 4.001 1.00 2.40 H new ATOM 0 HA ALA A 174 -22.431 -3.026 5.121 1.00 3.35 H new ATOM 0 HB1 ALA A 174 -21.456 -2.091 7.179 1.00 4.30 H new ATOM 0 HB2 ALA A 174 -20.311 -3.161 6.336 1.00 4.30 H new ATOM 0 HB3 ALA A 174 -20.123 -1.395 6.228 1.00 4.30 H new ATOM 2578 N ARG A 175 -21.976 0.085 4.295 1.00 3.66 N ATOM 2579 CA ARG A 175 -22.652 1.354 4.078 1.00 4.44 C ATOM 2580 C ARG A 175 -23.002 1.497 2.603 1.00 4.81 C ATOM 2581 O ARG A 175 -22.409 0.829 1.757 1.00 5.15 O ATOM 2582 CB ARG A 175 -21.771 2.524 4.528 1.00 5.16 C ATOM 2583 CG ARG A 175 -20.431 2.597 3.811 1.00 5.82 C ATOM 2584 CD ARG A 175 -19.629 3.810 4.250 1.00 6.62 C ATOM 2585 NE ARG A 175 -19.301 3.772 5.675 1.00 7.03 N ATOM 2586 CZ ARG A 175 -18.840 4.819 6.360 1.00 7.84 C ATOM 2587 NH1 ARG A 175 -18.682 5.992 5.761 1.00 8.30 N ATOM 2588 NH2 ARG A 175 -18.544 4.693 7.647 1.00 8.45 N ATOM 0 H ARG A 175 -21.052 0.024 3.866 1.00 3.66 H new ATOM 0 HA ARG A 175 -23.566 1.371 4.671 1.00 4.44 H new ATOM 0 HB2 ARG A 175 -22.311 3.457 4.364 1.00 5.16 H new ATOM 0 HB3 ARG A 175 -21.594 2.442 5.600 1.00 5.16 H new ATOM 0 HG2 ARG A 175 -19.860 1.690 4.012 1.00 5.82 H new ATOM 0 HG3 ARG A 175 -20.595 2.639 2.734 1.00 5.82 H new ATOM 0 HD2 ARG A 175 -18.708 3.864 3.669 1.00 6.62 H new ATOM 0 HD3 ARG A 175 -20.196 4.715 4.034 1.00 6.62 H new ATOM 0 HE ARG A 175 -19.433 2.892 6.174 1.00 7.03 H new ATOM 0 HH11 ARG A 175 -18.913 6.095 4.773 1.00 8.30 H new ATOM 0 HH12 ARG A 175 -18.329 6.791 6.288 1.00 8.30 H new ATOM 0 HH21 ARG A 175 -18.669 3.795 8.113 1.00 8.45 H new ATOM 0 HH22 ARG A 175 -18.191 5.495 8.170 1.00 8.45 H new ATOM 2602 N LEU A 176 -23.959 2.355 2.296 1.00 5.22 N ATOM 2603 CA LEU A 176 -24.384 2.550 0.921 1.00 6.05 C ATOM 2604 C LEU A 176 -23.902 3.896 0.404 1.00 6.72 C ATOM 2605 O LEU A 176 -24.359 4.933 0.922 1.00 7.14 O ATOM 2606 CB LEU A 176 -25.904 2.456 0.804 1.00 6.60 C ATOM 2607 CG LEU A 176 -26.441 2.507 -0.625 1.00 7.19 C ATOM 2608 CD1 LEU A 176 -25.891 1.345 -1.436 1.00 7.69 C ATOM 2609 CD2 LEU A 176 -27.958 2.481 -0.619 1.00 7.60 C ATOM 2610 OXT LEU A 176 -23.067 3.911 -0.520 1.00 7.13 O ATOM 0 H LEU A 176 -24.456 2.927 2.979 1.00 5.22 H new ATOM 0 HA LEU A 176 -23.942 1.760 0.314 1.00 6.05 H new ATOM 0 HB2 LEU A 176 -26.233 1.526 1.268 1.00 6.60 H new ATOM 0 HB3 LEU A 176 -26.349 3.272 1.374 1.00 6.60 H new ATOM 0 HG LEU A 176 -26.114 3.438 -1.089 1.00 7.19 H new ATOM 0 HD11 LEU A 176 -26.282 1.393 -2.452 1.00 7.69 H new ATOM 0 HD12 LEU A 176 -24.803 1.403 -1.462 1.00 7.69 H new ATOM 0 HD13 LEU A 176 -26.193 0.404 -0.976 1.00 7.69 H new ATOM 0 HD21 LEU A 176 -28.327 2.518 -1.644 1.00 7.60 H new ATOM 0 HD22 LEU A 176 -28.304 1.564 -0.142 1.00 7.60 H new ATOM 0 HD23 LEU A 176 -28.334 3.342 -0.067 1.00 7.60 H new TER 2622 LEU A 176