USER MOD reduce.3.24.130724 H: found=0, std=0, add=1348, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1350 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 188 ASN : amide:sc= -0.271 K(o=-0.27,f=-1) USER MOD Set 1.2: A 193 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 124 GLN : amide:sc= -0.097 X(o=-0.097,f=-0.065) USER MOD Set 2.2: A 128 GLN : amide:sc= 0 X(o=-0.097,f=-0.11) USER MOD Set 3.1: A 74 HIS : no HE2:sc= -1.25 K(o=-2.2,f=-5.1!) USER MOD Set 3.2: A 91 GLN :FLIP amide:sc= -0.932 F(o=-5.7!,f=-2.2) USER MOD Set 4.1: A 57 ASN : amide:sc= -1.73 X(o=-2.4,f=-2.2) USER MOD Set 4.2: A 59 SER OG : rot 180:sc= -0.659 USER MOD Set 5.1: A 28 SER OG : rot 57:sc= 0.587 USER MOD Set 5.2: A 29 GLN : amide:sc= 0.543 K(o=1.1,f=-0.07) USER MOD Set 6.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 6 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.3!) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.0693 (180deg=-0.498) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 95:sc= 0.0171 USER MOD Single : A 8 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.7) USER MOD Single : A 17 SER OG : rot -66:sc= 0.466 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -0.178 (180deg=-0.904) USER MOD Single : A 21 SER OG : rot 85:sc= 0.349 USER MOD Single : A 22 GLN : amide:sc= -0.0253 K(o=-0.025,f=-0.62) USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= -0.533 (180deg=-1.05) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -24:sc= 0.0764 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.779 F(o=-2.7!,f=-0.78) USER MOD Single : A 61 HIS : no HD1:sc=-0.00645 X(o=-0.0064,f=-0.25) USER MOD Single : A 69 ASN : amide:sc= 0.442 K(o=0.44,f=-2.5!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -126:sc= 0 (180deg=-0.693) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -122:sc= 0.00317 USER MOD Single : A 113 SER OG : rot -35:sc= 0.308 USER MOD Single : A 114 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.83) USER MOD Single : A 116 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.22) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.0643 USER MOD Single : A 125 SER OG : rot -32:sc= 0.12 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 148 SER OG : rot 80:sc= 0.262 USER MOD Single : A 154 CYS SG : rot -1:sc= -0.0309 USER MOD Single : A 157 SER OG : rot -130:sc=-0.00468 USER MOD Single : A 160 LYS NZ :NH3+ -152:sc= 0.0808 (180deg=0) USER MOD Single : A 162 MET CE :methyl 153:sc= -0.0713 (180deg=-0.974) USER MOD Single : A 163 GLN : amide:sc= -0.0037 K(o=-0.0037,f=-3.2!) USER MOD Single : A 167 SER OG : rot 33:sc= 0.113 USER MOD Single : A 173 MET CE :methyl -154:sc= -0.124 (180deg=-1.33) USER MOD Single : A 175 THR OG1 : rot 85:sc= 0.719 USER MOD Single : A 176 TYR OH : rot 180:sc= 0 USER MOD Single : A 178 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.0042) USER MOD Single : A 180 HIS : no HE2:sc= 0.483 K(o=0.48,f=-1.6!) USER MOD Single : A 186 GLN : amide:sc= 0.548 K(o=0.55,f=-0.75) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 200 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A 201 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 3 10.253 -1.099 -3.077 1.00 23.33 N ATOM 29 CA SER A 3 9.917 -0.025 -2.149 1.00 0.01 C ATOM 30 C SER A 3 9.790 1.302 -2.890 1.00 40.33 C ATOM 31 O SER A 3 10.771 1.828 -3.418 1.00 33.42 O ATOM 32 CB SER A 3 10.977 0.085 -1.052 1.00 73.53 C ATOM 33 OG SER A 3 10.656 1.114 -0.131 1.00 1.42 O ATOM 0 HA SER A 3 8.958 -0.260 -1.687 1.00 0.01 H new ATOM 0 HB2 SER A 3 11.059 -0.866 -0.525 1.00 73.53 H new ATOM 0 HB3 SER A 3 11.950 0.286 -1.501 1.00 73.53 H new ATOM 0 HG SER A 3 11.349 1.162 0.560 1.00 1.42 H new ATOM 39 N MET A 4 8.573 1.838 -2.926 1.00 62.21 N ATOM 40 CA MET A 4 8.313 3.100 -3.608 1.00 74.22 C ATOM 41 C MET A 4 8.423 4.287 -2.651 1.00 11.02 C ATOM 42 O MET A 4 8.129 5.420 -3.024 1.00 31.10 O ATOM 43 CB MET A 4 6.929 3.074 -4.267 1.00 31.25 C ATOM 44 CG MET A 4 5.788 2.818 -3.295 1.00 12.35 C ATOM 45 SD MET A 4 4.187 2.691 -4.116 1.00 64.11 S ATOM 46 CE MET A 4 4.390 1.165 -5.033 1.00 33.43 C ATOM 0 H MET A 4 7.752 1.417 -2.491 1.00 62.21 H new ATOM 0 HA MET A 4 9.072 3.223 -4.380 1.00 74.22 H new ATOM 0 HB2 MET A 4 6.759 4.026 -4.769 1.00 31.25 H new ATOM 0 HB3 MET A 4 6.918 2.302 -5.036 1.00 31.25 H new ATOM 0 HG2 MET A 4 5.984 1.897 -2.746 1.00 12.35 H new ATOM 0 HG3 MET A 4 5.753 3.624 -2.562 1.00 12.35 H new ATOM 0 HE1 MET A 4 3.411 0.775 -5.312 1.00 33.43 H new ATOM 0 HE2 MET A 4 4.974 1.356 -5.933 1.00 33.43 H new ATOM 0 HE3 MET A 4 4.908 0.434 -4.413 1.00 33.43 H new ATOM 56 N SER A 5 8.854 4.021 -1.418 1.00 24.54 N ATOM 57 CA SER A 5 9.010 5.075 -0.418 1.00 61.33 C ATOM 58 C SER A 5 10.203 5.964 -0.759 1.00 22.21 C ATOM 59 O SER A 5 10.143 7.186 -0.615 1.00 11.34 O ATOM 60 CB SER A 5 9.187 4.465 0.974 1.00 54.04 C ATOM 61 OG SER A 5 9.260 5.471 1.970 1.00 75.21 O ATOM 0 H SER A 5 9.100 3.087 -1.089 1.00 24.54 H new ATOM 0 HA SER A 5 8.109 5.688 -0.420 1.00 61.33 H new ATOM 0 HB2 SER A 5 8.354 3.796 1.189 1.00 54.04 H new ATOM 0 HB3 SER A 5 10.094 3.861 0.996 1.00 54.04 H new ATOM 0 HG SER A 5 9.371 5.053 2.849 1.00 75.21 H new ATOM 67 N GLN A 6 11.285 5.337 -1.218 1.00 62.15 N ATOM 68 CA GLN A 6 12.495 6.061 -1.596 1.00 41.41 C ATOM 69 C GLN A 6 12.416 6.517 -3.051 1.00 15.43 C ATOM 70 O GLN A 6 13.156 7.406 -3.475 1.00 11.22 O ATOM 71 CB GLN A 6 13.734 5.181 -1.398 1.00 32.02 C ATOM 72 CG GLN A 6 14.062 4.888 0.060 1.00 51.12 C ATOM 73 CD GLN A 6 13.421 3.608 0.563 1.00 63.24 C ATOM 74 OE1 GLN A 6 12.320 3.624 1.112 1.00 44.15 O ATOM 75 NE2 GLN A 6 14.109 2.488 0.376 1.00 70.24 N ATOM 0 H GLN A 6 11.347 4.326 -1.337 1.00 62.15 H new ATOM 0 HA GLN A 6 12.577 6.938 -0.954 1.00 41.41 H new ATOM 0 HB2 GLN A 6 13.584 4.237 -1.922 1.00 32.02 H new ATOM 0 HB3 GLN A 6 14.591 5.670 -1.861 1.00 32.02 H new ATOM 0 HG2 GLN A 6 15.143 4.817 0.177 1.00 51.12 H new ATOM 0 HG3 GLN A 6 13.729 5.722 0.677 1.00 51.12 H new ATOM 0 HE21 GLN A 6 15.019 2.519 -0.084 1.00 70.24 H new ATOM 0 HE22 GLN A 6 13.728 1.596 0.692 1.00 70.24 H new ATOM 84 N SER A 7 11.509 5.901 -3.807 1.00 42.13 N ATOM 85 CA SER A 7 11.324 6.235 -5.215 1.00 21.20 C ATOM 86 C SER A 7 10.525 7.526 -5.374 1.00 25.20 C ATOM 87 O SER A 7 10.716 8.266 -6.338 1.00 30.31 O ATOM 88 CB SER A 7 10.613 5.092 -5.941 1.00 51.11 C ATOM 89 OG SER A 7 11.385 3.904 -5.909 1.00 53.41 O ATOM 0 H SER A 7 10.890 5.166 -3.465 1.00 42.13 H new ATOM 0 HA SER A 7 12.309 6.384 -5.657 1.00 21.20 H new ATOM 0 HB2 SER A 7 9.643 4.911 -5.477 1.00 51.11 H new ATOM 0 HB3 SER A 7 10.423 5.377 -6.976 1.00 51.11 H new ATOM 0 HG SER A 7 11.102 3.350 -5.152 1.00 53.41 H new ATOM 95 N ASN A 8 9.633 7.792 -4.422 1.00 45.45 N ATOM 96 CA ASN A 8 8.807 8.994 -4.464 1.00 60.14 C ATOM 97 C ASN A 8 9.515 10.180 -3.814 1.00 0.43 C ATOM 98 O ASN A 8 9.058 11.316 -3.925 1.00 73.23 O ATOM 99 CB ASN A 8 7.463 8.749 -3.774 1.00 21.31 C ATOM 100 CG ASN A 8 6.616 7.720 -4.498 1.00 74.31 C ATOM 101 OD1 ASN A 8 6.794 7.481 -5.693 1.00 22.44 O ATOM 102 ND2 ASN A 8 5.681 7.111 -3.778 1.00 14.14 N ATOM 0 H ASN A 8 9.465 7.192 -3.614 1.00 45.45 H new ATOM 0 HA ASN A 8 8.631 9.234 -5.513 1.00 60.14 H new ATOM 0 HB2 ASN A 8 7.639 8.415 -2.751 1.00 21.31 H new ATOM 0 HB3 ASN A 8 6.914 9.688 -3.712 1.00 21.31 H new ATOM 0 HD21 ASN A 8 5.076 6.414 -4.213 1.00 14.14 H new ATOM 0 HD22 ASN A 8 5.568 7.340 -2.790 1.00 14.14 H new ATOM 109 N ARG A 9 10.631 9.911 -3.137 1.00 12.02 N ATOM 110 CA ARG A 9 11.397 10.965 -2.475 1.00 51.05 C ATOM 111 C ARG A 9 12.165 11.797 -3.500 1.00 14.21 C ATOM 112 O ARG A 9 12.351 13.002 -3.324 1.00 25.40 O ATOM 113 CB ARG A 9 12.365 10.363 -1.456 1.00 42.50 C ATOM 114 CG ARG A 9 12.841 11.360 -0.410 1.00 31.12 C ATOM 115 CD ARG A 9 13.879 10.749 0.516 1.00 42.03 C ATOM 116 NE ARG A 9 14.255 11.665 1.592 1.00 5.14 N ATOM 117 CZ ARG A 9 15.511 11.904 1.963 1.00 73.34 C ATOM 118 NH1 ARG A 9 16.521 11.300 1.350 1.00 13.23 N1+ ATOM 119 NH2 ARG A 9 15.758 12.751 2.953 1.00 21.22 N ATOM 0 H ARG A 9 11.023 8.975 -3.033 1.00 12.02 H new ATOM 0 HA ARG A 9 10.697 11.617 -1.952 1.00 51.05 H new ATOM 0 HB2 ARG A 9 11.878 9.526 -0.954 1.00 42.50 H new ATOM 0 HB3 ARG A 9 13.230 9.960 -1.982 1.00 42.50 H new ATOM 0 HG2 ARG A 9 13.265 12.233 -0.906 1.00 31.12 H new ATOM 0 HG3 ARG A 9 11.990 11.707 0.176 1.00 31.12 H new ATOM 0 HD2 ARG A 9 13.486 9.827 0.945 1.00 42.03 H new ATOM 0 HD3 ARG A 9 14.765 10.480 -0.059 1.00 42.03 H new ATOM 0 HE ARG A 9 13.509 12.151 2.089 1.00 5.14 H new ATOM 0 HH11 ARG A 9 16.338 10.647 0.588 1.00 13.23 H new ATOM 0 HH12 ARG A 9 17.480 11.489 1.641 1.00 13.23 H new ATOM 0 HH21 ARG A 9 14.986 13.218 3.429 1.00 21.22 H new ATOM 0 HH22 ARG A 9 16.720 12.935 3.239 1.00 21.22 H new ATOM 133 N GLU A 10 12.603 11.141 -4.573 1.00 63.25 N ATOM 134 CA GLU A 10 13.341 11.811 -5.638 1.00 11.22 C ATOM 135 C GLU A 10 12.377 12.517 -6.593 1.00 31.42 C ATOM 136 O GLU A 10 12.780 13.364 -7.392 1.00 63.04 O ATOM 137 CB GLU A 10 14.196 10.796 -6.404 1.00 15.12 C ATOM 138 CG GLU A 10 15.214 11.428 -7.342 1.00 44.41 C ATOM 139 CD GLU A 10 15.974 10.399 -8.157 1.00 40.11 C ATOM 140 OE1 GLU A 10 15.550 10.113 -9.296 1.00 32.10 O ATOM 141 OE2 GLU A 10 16.994 9.880 -7.655 1.00 2.34 O1- ATOM 0 H GLU A 10 12.458 10.143 -4.727 1.00 63.25 H new ATOM 0 HA GLU A 10 13.996 12.559 -5.191 1.00 11.22 H new ATOM 0 HB2 GLU A 10 14.721 10.164 -5.687 1.00 15.12 H new ATOM 0 HB3 GLU A 10 13.539 10.146 -6.982 1.00 15.12 H new ATOM 0 HG2 GLU A 10 14.703 12.115 -8.017 1.00 44.41 H new ATOM 0 HG3 GLU A 10 15.921 12.019 -6.760 1.00 44.41 H new ATOM 148 N LEU A 11 11.097 12.164 -6.494 1.00 22.23 N ATOM 149 CA LEU A 11 10.066 12.754 -7.340 1.00 41.33 C ATOM 150 C LEU A 11 9.634 14.120 -6.814 1.00 3.53 C ATOM 151 O LEU A 11 9.166 14.964 -7.576 1.00 35.05 O ATOM 152 CB LEU A 11 8.854 11.824 -7.429 1.00 5.34 C ATOM 153 CG LEU A 11 9.132 10.446 -8.034 1.00 65.44 C ATOM 154 CD1 LEU A 11 7.837 9.671 -8.212 1.00 15.33 C ATOM 155 CD2 LEU A 11 9.863 10.580 -9.362 1.00 11.20 C ATOM 0 H LEU A 11 10.750 11.469 -5.833 1.00 22.23 H new ATOM 0 HA LEU A 11 10.489 12.889 -8.336 1.00 41.33 H new ATOM 0 HB2 LEU A 11 8.447 11.688 -6.427 1.00 5.34 H new ATOM 0 HB3 LEU A 11 8.083 12.315 -8.023 1.00 5.34 H new ATOM 0 HG LEU A 11 9.772 9.893 -7.347 1.00 65.44 H new ATOM 0 HD11 LEU A 11 8.054 8.694 -8.643 1.00 15.33 H new ATOM 0 HD12 LEU A 11 7.355 9.541 -7.243 1.00 15.33 H new ATOM 0 HD13 LEU A 11 7.172 10.222 -8.877 1.00 15.33 H new ATOM 0 HD21 LEU A 11 10.051 9.589 -9.775 1.00 11.20 H new ATOM 0 HD22 LEU A 11 9.251 11.153 -10.058 1.00 11.20 H new ATOM 0 HD23 LEU A 11 10.811 11.094 -9.205 1.00 11.20 H new ATOM 167 N VAL A 12 9.794 14.329 -5.508 1.00 22.34 N ATOM 168 CA VAL A 12 9.425 15.596 -4.883 1.00 40.42 C ATOM 169 C VAL A 12 10.471 16.670 -5.175 1.00 65.31 C ATOM 170 O VAL A 12 10.134 17.829 -5.421 1.00 60.14 O ATOM 171 CB VAL A 12 9.259 15.449 -3.353 1.00 23.32 C ATOM 172 CG1 VAL A 12 8.750 16.744 -2.737 1.00 25.03 C ATOM 173 CG2 VAL A 12 8.323 14.298 -3.021 1.00 53.22 C ATOM 0 H VAL A 12 10.177 13.637 -4.863 1.00 22.34 H new ATOM 0 HA VAL A 12 8.468 15.895 -5.310 1.00 40.42 H new ATOM 0 HB VAL A 12 10.238 15.229 -2.927 1.00 23.32 H new ATOM 0 HG11 VAL A 12 8.641 16.616 -1.660 1.00 25.03 H new ATOM 0 HG12 VAL A 12 9.460 17.546 -2.937 1.00 25.03 H new ATOM 0 HG13 VAL A 12 7.783 16.998 -3.172 1.00 25.03 H new ATOM 0 HG21 VAL A 12 8.221 14.213 -1.939 1.00 53.22 H new ATOM 0 HG22 VAL A 12 7.345 14.485 -3.464 1.00 53.22 H new ATOM 0 HG23 VAL A 12 8.731 13.370 -3.421 1.00 53.22 H new ATOM 183 N VAL A 13 11.743 16.272 -5.165 1.00 44.24 N ATOM 184 CA VAL A 13 12.841 17.199 -5.428 1.00 64.33 C ATOM 185 C VAL A 13 13.078 17.382 -6.929 1.00 42.14 C ATOM 186 O VAL A 13 13.993 18.098 -7.337 1.00 23.25 O ATOM 187 CB VAL A 13 14.152 16.734 -4.756 1.00 50.40 C ATOM 188 CG1 VAL A 13 13.986 16.677 -3.245 1.00 71.34 C ATOM 189 CG2 VAL A 13 14.594 15.382 -5.299 1.00 33.23 C ATOM 0 H VAL A 13 12.038 15.314 -4.977 1.00 44.24 H new ATOM 0 HA VAL A 13 12.545 18.156 -4.999 1.00 64.33 H new ATOM 0 HB VAL A 13 14.929 17.461 -4.991 1.00 50.40 H new ATOM 0 HG11 VAL A 13 14.919 16.348 -2.789 1.00 71.34 H new ATOM 0 HG12 VAL A 13 13.728 17.667 -2.870 1.00 71.34 H new ATOM 0 HG13 VAL A 13 13.191 15.975 -2.993 1.00 71.34 H new ATOM 0 HG21 VAL A 13 15.519 15.078 -4.809 1.00 33.23 H new ATOM 0 HG22 VAL A 13 13.819 14.641 -5.104 1.00 33.23 H new ATOM 0 HG23 VAL A 13 14.760 15.458 -6.374 1.00 33.23 H new ATOM 199 N ASP A 14 12.245 16.732 -7.742 1.00 1.42 N ATOM 200 CA ASP A 14 12.356 16.826 -9.195 1.00 43.32 C ATOM 201 C ASP A 14 11.878 18.189 -9.689 1.00 21.21 C ATOM 202 O ASP A 14 12.612 18.901 -10.372 1.00 63.44 O ATOM 203 CB ASP A 14 11.547 15.709 -9.861 1.00 21.13 C ATOM 204 CG ASP A 14 11.429 15.886 -11.364 1.00 4.43 C ATOM 205 OD1 ASP A 14 12.477 15.986 -12.036 1.00 34.52 O ATOM 206 OD2 ASP A 14 10.287 15.922 -11.868 1.00 73.41 O1- ATOM 0 H ASP A 14 11.485 16.134 -7.417 1.00 1.42 H new ATOM 0 HA ASP A 14 13.406 16.712 -9.466 1.00 43.32 H new ATOM 0 HB2 ASP A 14 12.018 14.749 -9.648 1.00 21.13 H new ATOM 0 HB3 ASP A 14 10.549 15.679 -9.424 1.00 21.13 H new ATOM 211 N PHE A 15 10.647 18.546 -9.337 1.00 30.02 N ATOM 212 CA PHE A 15 10.074 19.825 -9.743 1.00 40.51 C ATOM 213 C PHE A 15 10.483 20.937 -8.779 1.00 55.12 C ATOM 214 O PHE A 15 10.252 22.116 -9.045 1.00 23.20 O ATOM 215 CB PHE A 15 8.545 19.728 -9.826 1.00 2.42 C ATOM 216 CG PHE A 15 7.898 19.191 -8.580 1.00 22.33 C ATOM 217 CD1 PHE A 15 7.660 17.833 -8.439 1.00 44.13 C ATOM 218 CD2 PHE A 15 7.531 20.042 -7.550 1.00 51.43 C ATOM 219 CE1 PHE A 15 7.070 17.336 -7.294 1.00 3.55 C ATOM 220 CE2 PHE A 15 6.941 19.549 -6.404 1.00 74.33 C ATOM 221 CZ PHE A 15 6.711 18.195 -6.275 1.00 54.30 C ATOM 0 H PHE A 15 10.026 17.967 -8.771 1.00 30.02 H new ATOM 0 HA PHE A 15 10.462 20.070 -10.732 1.00 40.51 H new ATOM 0 HB2 PHE A 15 8.139 20.718 -10.036 1.00 2.42 H new ATOM 0 HB3 PHE A 15 8.277 19.088 -10.667 1.00 2.42 H new ATOM 0 HD1 PHE A 15 7.939 17.156 -9.233 1.00 44.13 H new ATOM 0 HD2 PHE A 15 7.709 21.103 -7.645 1.00 51.43 H new ATOM 0 HE1 PHE A 15 6.889 16.276 -7.196 1.00 3.55 H new ATOM 0 HE2 PHE A 15 6.659 20.223 -5.608 1.00 74.33 H new ATOM 0 HZ PHE A 15 6.251 17.808 -5.378 1.00 54.30 H new ATOM 231 N LEU A 16 11.093 20.552 -7.660 1.00 64.22 N ATOM 232 CA LEU A 16 11.538 21.514 -6.658 1.00 72.32 C ATOM 233 C LEU A 16 12.865 22.150 -7.060 1.00 33.21 C ATOM 234 O LEU A 16 13.156 23.282 -6.680 1.00 40.03 O ATOM 235 CB LEU A 16 11.687 20.837 -5.295 1.00 4.43 C ATOM 236 CG LEU A 16 10.822 21.422 -4.176 1.00 71.13 C ATOM 237 CD1 LEU A 16 9.397 20.905 -4.277 1.00 3.51 C ATOM 238 CD2 LEU A 16 11.415 21.092 -2.816 1.00 52.20 C ATOM 0 H LEU A 16 11.290 19.579 -7.426 1.00 64.22 H new ATOM 0 HA LEU A 16 10.782 22.296 -6.590 1.00 72.32 H new ATOM 0 HB2 LEU A 16 11.444 19.780 -5.404 1.00 4.43 H new ATOM 0 HB3 LEU A 16 12.732 20.894 -4.992 1.00 4.43 H new ATOM 0 HG LEU A 16 10.802 22.506 -4.288 1.00 71.13 H new ATOM 0 HD11 LEU A 16 8.797 21.332 -3.473 1.00 3.51 H new ATOM 0 HD12 LEU A 16 8.973 21.193 -5.239 1.00 3.51 H new ATOM 0 HD13 LEU A 16 9.397 19.818 -4.192 1.00 3.51 H new ATOM 0 HD21 LEU A 16 10.787 21.516 -2.033 1.00 52.20 H new ATOM 0 HD22 LEU A 16 11.466 20.010 -2.694 1.00 52.20 H new ATOM 0 HD23 LEU A 16 12.418 21.513 -2.744 1.00 52.20 H new ATOM 250 N SER A 17 13.665 21.414 -7.833 1.00 61.33 N ATOM 251 CA SER A 17 14.963 21.909 -8.287 1.00 54.41 C ATOM 252 C SER A 17 14.798 23.024 -9.317 1.00 31.12 C ATOM 253 O SER A 17 15.628 23.930 -9.401 1.00 53.12 O ATOM 254 CB SER A 17 15.795 20.766 -8.878 1.00 53.13 C ATOM 255 OG SER A 17 15.177 20.225 -10.031 1.00 2.41 O ATOM 0 H SER A 17 13.436 20.474 -8.157 1.00 61.33 H new ATOM 0 HA SER A 17 15.486 22.318 -7.422 1.00 54.41 H new ATOM 0 HB2 SER A 17 16.790 21.131 -9.133 1.00 53.13 H new ATOM 0 HB3 SER A 17 15.925 19.983 -8.131 1.00 53.13 H new ATOM 0 HG SER A 17 14.335 19.792 -9.778 1.00 2.41 H new ATOM 261 N TYR A 18 13.721 22.954 -10.097 1.00 32.53 N ATOM 262 CA TYR A 18 13.444 23.962 -11.115 1.00 34.51 C ATOM 263 C TYR A 18 12.596 25.091 -10.534 1.00 33.20 C ATOM 264 O TYR A 18 12.399 26.126 -11.171 1.00 73.25 O ATOM 265 CB TYR A 18 12.729 23.331 -12.312 1.00 41.32 C ATOM 266 CG TYR A 18 13.452 22.132 -12.886 1.00 34.43 C ATOM 267 CD1 TYR A 18 14.722 22.258 -13.435 1.00 24.32 C ATOM 268 CD2 TYR A 18 12.865 20.873 -12.875 1.00 12.13 C ATOM 269 CE1 TYR A 18 15.385 21.164 -13.957 1.00 62.14 C ATOM 270 CE2 TYR A 18 13.522 19.775 -13.395 1.00 51.11 C ATOM 271 CZ TYR A 18 14.782 19.925 -13.934 1.00 0.54 C ATOM 272 OH TYR A 18 15.440 18.833 -14.451 1.00 61.02 O ATOM 0 H TYR A 18 13.026 22.209 -10.042 1.00 32.53 H new ATOM 0 HA TYR A 18 14.394 24.377 -11.453 1.00 34.51 H new ATOM 0 HB2 TYR A 18 11.727 23.029 -12.008 1.00 41.32 H new ATOM 0 HB3 TYR A 18 12.613 24.083 -13.093 1.00 41.32 H new ATOM 0 HD1 TYR A 18 15.199 23.227 -13.454 1.00 24.32 H new ATOM 0 HD2 TYR A 18 11.878 20.751 -12.453 1.00 12.13 H new ATOM 0 HE1 TYR A 18 16.371 21.279 -14.381 1.00 62.14 H new ATOM 0 HE2 TYR A 18 13.051 18.803 -13.379 1.00 51.11 H new ATOM 0 HH TYR A 18 14.877 18.037 -14.356 1.00 61.02 H new ATOM 282 N LYS A 19 12.101 24.878 -9.318 1.00 33.40 N ATOM 283 CA LYS A 19 11.278 25.869 -8.636 1.00 71.20 C ATOM 284 C LYS A 19 12.151 26.852 -7.864 1.00 74.34 C ATOM 285 O LYS A 19 11.803 28.023 -7.715 1.00 53.33 O ATOM 286 CB LYS A 19 10.305 25.180 -7.677 1.00 24.30 C ATOM 287 CG LYS A 19 8.918 25.799 -7.667 1.00 64.24 C ATOM 288 CD LYS A 19 8.198 25.560 -8.984 1.00 35.31 C ATOM 289 CE LYS A 19 7.764 26.865 -9.632 1.00 14.51 C ATOM 290 NZ LYS A 19 6.790 27.609 -8.788 1.00 1.03 N1+ ATOM 0 H LYS A 19 12.257 24.023 -8.784 1.00 33.40 H new ATOM 0 HA LYS A 19 10.711 26.418 -9.388 1.00 71.20 H new ATOM 0 HB2 LYS A 19 10.222 24.128 -7.951 1.00 24.30 H new ATOM 0 HB3 LYS A 19 10.716 25.215 -6.668 1.00 24.30 H new ATOM 0 HG2 LYS A 19 8.335 25.376 -6.849 1.00 64.24 H new ATOM 0 HG3 LYS A 19 8.997 26.870 -7.482 1.00 64.24 H new ATOM 0 HD2 LYS A 19 8.854 25.016 -9.664 1.00 35.31 H new ATOM 0 HD3 LYS A 19 7.325 24.931 -8.812 1.00 35.31 H new ATOM 0 HE2 LYS A 19 8.639 27.489 -9.812 1.00 14.51 H new ATOM 0 HE3 LYS A 19 7.317 26.656 -10.604 1.00 14.51 H new ATOM 0 HZ1 LYS A 19 6.178 28.190 -9.395 1.00 1.03 H new ATOM 0 HZ2 LYS A 19 6.207 26.934 -8.253 1.00 1.03 H new ATOM 0 HZ3 LYS A 19 7.304 28.224 -8.125 1.00 1.03 H new ATOM 304 N LEU A 20 13.293 26.364 -7.380 1.00 51.53 N ATOM 305 CA LEU A 20 14.226 27.190 -6.617 1.00 12.22 C ATOM 306 C LEU A 20 15.103 28.029 -7.543 1.00 64.24 C ATOM 307 O LEU A 20 15.721 29.003 -7.112 1.00 44.31 O ATOM 308 CB LEU A 20 15.110 26.311 -5.728 1.00 74.32 C ATOM 309 CG LEU A 20 14.365 25.330 -4.817 1.00 34.14 C ATOM 310 CD1 LEU A 20 15.349 24.538 -3.974 1.00 64.12 C ATOM 311 CD2 LEU A 20 13.369 26.062 -3.929 1.00 33.14 C ATOM 0 H LEU A 20 13.594 25.397 -7.504 1.00 51.53 H new ATOM 0 HA LEU A 20 13.640 27.863 -5.991 1.00 12.22 H new ATOM 0 HB2 LEU A 20 15.787 25.743 -6.367 1.00 74.32 H new ATOM 0 HB3 LEU A 20 15.727 26.959 -5.106 1.00 74.32 H new ATOM 0 HG LEU A 20 13.809 24.635 -5.447 1.00 34.14 H new ATOM 0 HD11 LEU A 20 14.804 23.846 -3.332 1.00 64.12 H new ATOM 0 HD12 LEU A 20 16.018 23.977 -4.627 1.00 64.12 H new ATOM 0 HD13 LEU A 20 15.932 25.222 -3.357 1.00 64.12 H new ATOM 0 HD21 LEU A 20 12.853 25.344 -3.292 1.00 33.14 H new ATOM 0 HD22 LEU A 20 13.898 26.784 -3.307 1.00 33.14 H new ATOM 0 HD23 LEU A 20 12.641 26.583 -4.551 1.00 33.14 H new ATOM 323 N SER A 21 15.150 27.645 -8.817 1.00 21.30 N ATOM 324 CA SER A 21 15.951 28.358 -9.808 1.00 40.15 C ATOM 325 C SER A 21 15.226 29.604 -10.314 1.00 30.21 C ATOM 326 O SER A 21 15.844 30.500 -10.890 1.00 52.24 O ATOM 327 CB SER A 21 16.283 27.436 -10.983 1.00 61.20 C ATOM 328 OG SER A 21 17.079 26.341 -10.566 1.00 34.20 O ATOM 0 H SER A 21 14.641 26.842 -9.187 1.00 21.30 H new ATOM 0 HA SER A 21 16.876 28.674 -9.326 1.00 40.15 H new ATOM 0 HB2 SER A 21 15.360 27.068 -11.432 1.00 61.20 H new ATOM 0 HB3 SER A 21 16.810 27.999 -11.753 1.00 61.20 H new ATOM 0 HG SER A 21 16.501 25.627 -10.225 1.00 34.20 H new ATOM 334 N GLN A 22 13.915 29.654 -10.096 1.00 15.21 N ATOM 335 CA GLN A 22 13.109 30.790 -10.532 1.00 24.03 C ATOM 336 C GLN A 22 12.772 31.709 -9.359 1.00 23.23 C ATOM 337 O GLN A 22 12.329 32.841 -9.555 1.00 32.33 O ATOM 338 CB GLN A 22 11.819 30.303 -11.196 1.00 43.51 C ATOM 339 CG GLN A 22 12.046 29.369 -12.375 1.00 31.51 C ATOM 340 CD GLN A 22 12.742 30.049 -13.539 1.00 2.13 C ATOM 341 OE1 GLN A 22 12.567 31.245 -13.772 1.00 10.23 O ATOM 342 NE2 GLN A 22 13.539 29.286 -14.276 1.00 21.52 N ATOM 0 H GLN A 22 13.388 28.921 -9.620 1.00 15.21 H new ATOM 0 HA GLN A 22 13.694 31.357 -11.256 1.00 24.03 H new ATOM 0 HB2 GLN A 22 11.210 29.790 -10.451 1.00 43.51 H new ATOM 0 HB3 GLN A 22 11.248 31.167 -11.535 1.00 43.51 H new ATOM 0 HG2 GLN A 22 12.643 28.517 -12.048 1.00 31.51 H new ATOM 0 HG3 GLN A 22 11.087 28.976 -12.711 1.00 31.51 H new ATOM 0 HE21 GLN A 22 13.655 28.299 -14.047 1.00 21.52 H new ATOM 0 HE22 GLN A 22 14.036 29.687 -15.072 1.00 21.52 H new ATOM 351 N LYS A 23 12.983 31.215 -8.141 1.00 42.13 N ATOM 352 CA LYS A 23 12.700 31.995 -6.940 1.00 21.42 C ATOM 353 C LYS A 23 13.976 32.602 -6.362 1.00 52.15 C ATOM 354 O LYS A 23 14.199 33.809 -6.462 1.00 43.43 O ATOM 355 CB LYS A 23 12.016 31.122 -5.886 1.00 14.44 C ATOM 356 CG LYS A 23 10.587 30.740 -6.236 1.00 43.44 C ATOM 357 CD LYS A 23 9.945 29.935 -5.119 1.00 23.41 C ATOM 358 CE LYS A 23 8.485 29.639 -5.411 1.00 34.14 C ATOM 359 NZ LYS A 23 7.822 28.961 -4.265 1.00 24.44 N1+ ATOM 0 H LYS A 23 13.348 30.280 -7.961 1.00 42.13 H new ATOM 0 HA LYS A 23 12.030 32.808 -7.221 1.00 21.42 H new ATOM 0 HB2 LYS A 23 12.601 30.213 -5.746 1.00 14.44 H new ATOM 0 HB3 LYS A 23 12.017 31.652 -4.933 1.00 14.44 H new ATOM 0 HG2 LYS A 23 10.002 31.641 -6.421 1.00 43.44 H new ATOM 0 HG3 LYS A 23 10.578 30.159 -7.158 1.00 43.44 H new ATOM 0 HD2 LYS A 23 10.487 28.999 -4.987 1.00 23.41 H new ATOM 0 HD3 LYS A 23 10.025 30.485 -4.181 1.00 23.41 H new ATOM 0 HE2 LYS A 23 7.963 30.569 -5.635 1.00 34.14 H new ATOM 0 HE3 LYS A 23 8.411 29.010 -6.298 1.00 34.14 H new ATOM 0 HZ1 LYS A 23 7.646 27.965 -4.506 1.00 24.44 H new ATOM 0 HZ2 LYS A 23 8.438 29.012 -3.428 1.00 24.44 H new ATOM 0 HZ3 LYS A 23 6.918 29.432 -4.059 1.00 24.44 H new ATOM 373 N GLY A 24 14.810 31.759 -5.757 1.00 74.33 N ATOM 374 CA GLY A 24 16.050 32.234 -5.169 1.00 61.44 C ATOM 375 C GLY A 24 16.522 31.362 -4.022 1.00 53.43 C ATOM 376 O GLY A 24 16.695 31.841 -2.900 1.00 72.31 O ATOM 0 H GLY A 24 14.649 30.756 -5.664 1.00 74.33 H new ATOM 0 HA2 GLY A 24 16.823 32.268 -5.937 1.00 61.44 H new ATOM 0 HA3 GLY A 24 15.911 33.254 -4.812 1.00 61.44 H new ATOM 380 N TYR A 25 16.728 30.078 -4.304 1.00 2.32 N ATOM 381 CA TYR A 25 17.186 29.131 -3.291 1.00 35.14 C ATOM 382 C TYR A 25 18.131 28.102 -3.909 1.00 43.25 C ATOM 383 O TYR A 25 18.104 27.871 -5.119 1.00 11.33 O ATOM 384 CB TYR A 25 15.987 28.428 -2.649 1.00 14.21 C ATOM 385 CG TYR A 25 16.189 28.069 -1.193 1.00 22.42 C ATOM 386 CD1 TYR A 25 16.061 29.029 -0.197 1.00 51.14 C ATOM 387 CD2 TYR A 25 16.501 26.770 -0.814 1.00 42.50 C ATOM 388 CE1 TYR A 25 16.238 28.704 1.134 1.00 21.22 C ATOM 389 CE2 TYR A 25 16.681 26.437 0.515 1.00 54.30 C ATOM 390 CZ TYR A 25 16.548 27.407 1.484 1.00 2.54 C ATOM 391 OH TYR A 25 16.723 27.079 2.807 1.00 33.01 O ATOM 0 H TYR A 25 16.585 29.669 -5.227 1.00 2.32 H new ATOM 0 HA TYR A 25 17.728 29.680 -2.521 1.00 35.14 H new ATOM 0 HB2 TYR A 25 15.112 29.073 -2.735 1.00 14.21 H new ATOM 0 HB3 TYR A 25 15.769 27.519 -3.210 1.00 14.21 H new ATOM 0 HD1 TYR A 25 15.819 30.046 -0.468 1.00 51.14 H new ATOM 0 HD2 TYR A 25 16.605 26.007 -1.571 1.00 42.50 H new ATOM 0 HE1 TYR A 25 16.134 29.462 1.896 1.00 21.22 H new ATOM 0 HE2 TYR A 25 16.925 25.422 0.792 1.00 54.30 H new ATOM 0 HH TYR A 25 16.936 26.125 2.882 1.00 33.01 H new ATOM 401 N SER A 26 18.966 27.489 -3.075 1.00 41.43 N ATOM 402 CA SER A 26 19.919 26.488 -3.544 1.00 44.31 C ATOM 403 C SER A 26 19.720 25.157 -2.822 1.00 31.30 C ATOM 404 O SER A 26 19.085 25.098 -1.769 1.00 53.54 O ATOM 405 CB SER A 26 21.352 26.982 -3.335 1.00 52.25 C ATOM 406 OG SER A 26 21.602 28.160 -4.082 1.00 64.20 O ATOM 0 H SER A 26 19.002 27.668 -2.071 1.00 41.43 H new ATOM 0 HA SER A 26 19.744 26.331 -4.608 1.00 44.31 H new ATOM 0 HB2 SER A 26 21.521 27.177 -2.276 1.00 52.25 H new ATOM 0 HB3 SER A 26 22.055 26.204 -3.632 1.00 52.25 H new ATOM 0 HG SER A 26 22.524 28.455 -3.929 1.00 64.20 H new ATOM 412 N TRP A 27 20.272 24.090 -3.397 1.00 61.20 N ATOM 413 CA TRP A 27 20.160 22.758 -2.808 1.00 53.30 C ATOM 414 C TRP A 27 21.366 22.439 -1.925 1.00 22.33 C ATOM 415 O TRP A 27 21.561 21.292 -1.518 1.00 44.40 O ATOM 416 CB TRP A 27 20.020 21.695 -3.900 1.00 4.15 C ATOM 417 CG TRP A 27 18.596 21.381 -4.253 1.00 14.02 C ATOM 418 CD1 TRP A 27 18.026 21.440 -5.493 1.00 22.51 C ATOM 419 CD2 TRP A 27 17.559 20.958 -3.356 1.00 54.12 C ATOM 420 NE1 TRP A 27 16.703 21.076 -5.422 1.00 34.12 N ATOM 421 CE2 TRP A 27 16.393 20.777 -4.122 1.00 11.52 C ATOM 422 CE3 TRP A 27 17.504 20.714 -1.980 1.00 53.32 C ATOM 423 CZ2 TRP A 27 15.190 20.364 -3.559 1.00 20.51 C ATOM 424 CZ3 TRP A 27 16.307 20.304 -1.423 1.00 40.24 C ATOM 425 CH2 TRP A 27 15.165 20.132 -2.212 1.00 31.43 C ATOM 0 H TRP A 27 20.800 24.122 -4.269 1.00 61.20 H new ATOM 0 HA TRP A 27 19.265 22.748 -2.185 1.00 53.30 H new ATOM 0 HB2 TRP A 27 20.541 22.035 -4.795 1.00 4.15 H new ATOM 0 HB3 TRP A 27 20.514 20.781 -3.571 1.00 4.15 H new ATOM 0 HD1 TRP A 27 18.540 21.730 -6.397 1.00 22.51 H new ATOM 0 HE1 TRP A 27 16.056 21.035 -6.210 1.00 34.12 H new ATOM 0 HE3 TRP A 27 18.381 20.844 -1.363 1.00 53.32 H new ATOM 0 HZ2 TRP A 27 14.306 20.231 -4.165 1.00 20.51 H new ATOM 0 HZ3 TRP A 27 16.253 20.113 -0.361 1.00 40.24 H new ATOM 0 HH2 TRP A 27 14.245 19.809 -1.748 1.00 31.43 H new ATOM 436 N SER A 28 22.169 23.460 -1.629 1.00 32.31 N ATOM 437 CA SER A 28 23.349 23.292 -0.787 1.00 50.44 C ATOM 438 C SER A 28 22.962 23.252 0.691 1.00 42.24 C ATOM 439 O SER A 28 23.771 22.892 1.547 1.00 22.54 O ATOM 440 CB SER A 28 24.351 24.421 -1.043 1.00 22.54 C ATOM 441 OG SER A 28 23.728 25.690 -0.948 1.00 51.11 O ATOM 0 H SER A 28 22.022 24.413 -1.961 1.00 32.31 H new ATOM 0 HA SER A 28 23.817 22.342 -1.043 1.00 50.44 H new ATOM 0 HB2 SER A 28 25.166 24.358 -0.322 1.00 22.54 H new ATOM 0 HB3 SER A 28 24.792 24.302 -2.033 1.00 22.54 H new ATOM 0 HG SER A 28 23.303 25.781 -0.069 1.00 51.11 H new ATOM 447 N GLN A 29 21.715 23.626 0.979 1.00 65.33 N ATOM 448 CA GLN A 29 21.200 23.623 2.346 1.00 12.55 C ATOM 449 C GLN A 29 20.775 22.213 2.751 1.00 40.41 C ATOM 450 O GLN A 29 20.650 21.907 3.937 1.00 71.43 O ATOM 451 CB GLN A 29 20.009 24.579 2.473 1.00 13.34 C ATOM 452 CG GLN A 29 20.395 26.036 2.697 1.00 42.43 C ATOM 453 CD GLN A 29 21.015 26.684 1.473 1.00 1.54 C ATOM 454 OE1 GLN A 29 22.236 26.698 1.317 1.00 23.32 O ATOM 455 NE2 GLN A 29 20.175 27.224 0.598 1.00 40.23 N ATOM 0 H GLN A 29 21.041 23.936 0.279 1.00 65.33 H new ATOM 0 HA GLN A 29 21.995 23.959 3.011 1.00 12.55 H new ATOM 0 HB2 GLN A 29 19.405 24.510 1.568 1.00 13.34 H new ATOM 0 HB3 GLN A 29 19.381 24.250 3.301 1.00 13.34 H new ATOM 0 HG2 GLN A 29 19.509 26.599 2.989 1.00 42.43 H new ATOM 0 HG3 GLN A 29 21.098 26.095 3.527 1.00 42.43 H new ATOM 0 HE21 GLN A 29 19.170 27.189 0.768 1.00 40.23 H new ATOM 0 HE22 GLN A 29 20.535 27.673 -0.244 1.00 40.23 H new ATOM 464 N PHE A 30 20.555 21.363 1.750 1.00 24.33 N ATOM 465 CA PHE A 30 20.148 19.982 1.979 1.00 64.10 C ATOM 466 C PHE A 30 21.366 19.058 1.980 1.00 62.41 C ATOM 467 O PHE A 30 21.317 17.949 2.513 1.00 72.45 O ATOM 468 CB PHE A 30 19.153 19.549 0.897 1.00 0.40 C ATOM 469 CG PHE A 30 18.533 18.197 1.130 1.00 73.03 C ATOM 470 CD1 PHE A 30 17.587 18.015 2.126 1.00 30.11 C ATOM 471 CD2 PHE A 30 18.894 17.111 0.348 1.00 11.20 C ATOM 472 CE1 PHE A 30 17.013 16.776 2.339 1.00 23.22 C ATOM 473 CE2 PHE A 30 18.324 15.869 0.556 1.00 74.13 C ATOM 474 CZ PHE A 30 17.383 15.701 1.553 1.00 21.13 C ATOM 0 H PHE A 30 20.653 21.611 0.766 1.00 24.33 H new ATOM 0 HA PHE A 30 19.666 19.914 2.954 1.00 64.10 H new ATOM 0 HB2 PHE A 30 18.359 20.293 0.831 1.00 0.40 H new ATOM 0 HB3 PHE A 30 19.663 19.541 -0.066 1.00 0.40 H new ATOM 0 HD1 PHE A 30 17.295 18.852 2.743 1.00 30.11 H new ATOM 0 HD2 PHE A 30 19.629 17.237 -0.433 1.00 11.20 H new ATOM 0 HE1 PHE A 30 16.276 16.648 3.118 1.00 23.22 H new ATOM 0 HE2 PHE A 30 18.614 15.031 -0.060 1.00 74.13 H new ATOM 0 HZ PHE A 30 16.937 14.731 1.718 1.00 21.13 H new ATOM 484 N SER A 31 22.460 19.529 1.381 1.00 32.32 N ATOM 485 CA SER A 31 23.696 18.755 1.310 1.00 50.21 C ATOM 486 C SER A 31 24.340 18.627 2.688 1.00 64.30 C ATOM 487 O SER A 31 24.894 17.583 3.032 1.00 12.40 O ATOM 488 CB SER A 31 24.677 19.412 0.335 1.00 63.34 C ATOM 489 OG SER A 31 25.881 18.669 0.241 1.00 12.04 O ATOM 0 H SER A 31 22.514 20.446 0.937 1.00 32.32 H new ATOM 0 HA SER A 31 23.449 17.756 0.951 1.00 50.21 H new ATOM 0 HB2 SER A 31 24.217 19.491 -0.650 1.00 63.34 H new ATOM 0 HB3 SER A 31 24.898 20.427 0.666 1.00 63.34 H new ATOM 0 HG SER A 31 26.489 19.109 -0.389 1.00 12.04 H new ATOM 781 N SER A 52 2.316 34.356 13.298 1.00 74.33 N ATOM 782 CA SER A 52 1.272 35.217 12.757 1.00 61.41 C ATOM 783 C SER A 52 1.853 36.169 11.713 1.00 74.22 C ATOM 784 O SER A 52 1.117 36.815 10.965 1.00 10.31 O ATOM 785 CB SER A 52 0.608 36.013 13.885 1.00 11.53 C ATOM 786 OG SER A 52 -0.508 36.745 13.410 1.00 64.53 O ATOM 0 HA SER A 52 0.520 34.591 12.276 1.00 61.41 H new ATOM 0 HB2 SER A 52 0.290 35.333 14.675 1.00 11.53 H new ATOM 0 HB3 SER A 52 1.333 36.697 14.326 1.00 11.53 H new ATOM 0 HG SER A 52 -0.406 36.911 12.450 1.00 64.53 H new ATOM 792 N ALA A 53 3.182 36.242 11.665 1.00 12.45 N ATOM 793 CA ALA A 53 3.875 37.109 10.717 1.00 52.14 C ATOM 794 C ALA A 53 4.163 36.383 9.405 1.00 64.14 C ATOM 795 O ALA A 53 4.674 36.978 8.455 1.00 13.30 O ATOM 796 CB ALA A 53 5.168 37.627 11.330 1.00 34.31 C ATOM 0 H ALA A 53 3.802 35.708 12.275 1.00 12.45 H new ATOM 0 HA ALA A 53 3.223 37.953 10.494 1.00 52.14 H new ATOM 0 HB1 ALA A 53 5.677 38.273 10.614 1.00 34.31 H new ATOM 0 HB2 ALA A 53 4.941 38.194 12.233 1.00 34.31 H new ATOM 0 HB3 ALA A 53 5.813 36.786 11.583 1.00 34.31 H new ATOM 802 N ILE A 54 3.830 35.094 9.358 1.00 15.24 N ATOM 803 CA ILE A 54 4.049 34.285 8.163 1.00 4.43 C ATOM 804 C ILE A 54 2.831 34.328 7.238 1.00 50.54 C ATOM 805 O ILE A 54 2.118 33.336 7.075 1.00 64.03 O ATOM 806 CB ILE A 54 4.377 32.818 8.524 1.00 44.13 C ATOM 807 CG1 ILE A 54 3.446 32.311 9.632 1.00 34.42 C ATOM 808 CG2 ILE A 54 5.834 32.694 8.950 1.00 34.42 C ATOM 809 CD1 ILE A 54 3.615 30.840 9.948 1.00 1.41 C ATOM 0 H ILE A 54 3.407 34.588 10.136 1.00 15.24 H new ATOM 0 HA ILE A 54 4.905 34.713 7.641 1.00 4.43 H new ATOM 0 HB ILE A 54 4.219 32.200 7.640 1.00 44.13 H new ATOM 0 HG12 ILE A 54 3.626 32.890 10.538 1.00 34.42 H new ATOM 0 HG13 ILE A 54 2.413 32.493 9.337 1.00 34.42 H new ATOM 0 HG21 ILE A 54 6.052 31.656 9.202 1.00 34.42 H new ATOM 0 HG22 ILE A 54 6.481 33.013 8.132 1.00 34.42 H new ATOM 0 HG23 ILE A 54 6.013 33.324 9.821 1.00 34.42 H new ATOM 0 HD11 ILE A 54 2.923 30.556 10.741 1.00 1.41 H new ATOM 0 HD12 ILE A 54 3.406 30.250 9.056 1.00 1.41 H new ATOM 0 HD13 ILE A 54 4.638 30.653 10.275 1.00 1.41 H new ATOM 821 N ASN A 55 2.601 35.491 6.636 1.00 54.25 N ATOM 822 CA ASN A 55 1.472 35.678 5.732 1.00 44.55 C ATOM 823 C ASN A 55 1.856 36.585 4.564 1.00 53.32 C ATOM 824 O ASN A 55 1.854 37.811 4.690 1.00 32.33 O ATOM 825 CB ASN A 55 0.282 36.276 6.493 1.00 64.24 C ATOM 826 CG ASN A 55 -0.981 36.354 5.654 1.00 15.45 C ATOM 827 OD1 ASN A 55 -1.183 35.371 4.786 1.00 13.12 O flip ATOM 828 ND2 ASN A 55 -1.772 37.287 5.792 1.00 60.33 N flip ATOM 0 H ASN A 55 3.183 36.320 6.759 1.00 54.25 H new ATOM 0 HA ASN A 55 1.188 34.705 5.332 1.00 44.55 H new ATOM 0 HB2 ASN A 55 0.086 35.674 7.380 1.00 64.24 H new ATOM 0 HB3 ASN A 55 0.544 37.276 6.838 1.00 64.24 H new ATOM 0 HD21 ASN A 55 -1.579 38.023 6.471 1.00 60.33 H new ATOM 0 HD22 ASN A 55 -2.621 37.324 5.227 1.00 60.33 H new ATOM 835 N GLY A 56 2.194 35.971 3.432 1.00 51.01 N ATOM 836 CA GLY A 56 2.571 36.734 2.254 1.00 12.02 C ATOM 837 C GLY A 56 4.039 37.121 2.243 1.00 41.15 C ATOM 838 O GLY A 56 4.508 37.834 3.131 1.00 42.41 O ATOM 0 H GLY A 56 2.213 34.959 3.310 1.00 51.01 H new ATOM 0 HA2 GLY A 56 2.349 36.148 1.362 1.00 12.02 H new ATOM 0 HA3 GLY A 56 1.962 37.637 2.202 1.00 12.02 H new ATOM 842 N ASN A 57 4.763 36.651 1.232 1.00 70.35 N ATOM 843 CA ASN A 57 6.183 36.953 1.100 1.00 14.12 C ATOM 844 C ASN A 57 6.440 37.772 -0.165 1.00 12.55 C ATOM 845 O ASN A 57 5.796 37.551 -1.192 1.00 14.35 O ATOM 846 CB ASN A 57 6.997 35.656 1.067 1.00 40.43 C ATOM 847 CG ASN A 57 8.141 35.663 2.061 1.00 71.24 C ATOM 848 OD1 ASN A 57 7.947 35.410 3.249 1.00 25.14 O ATOM 849 ND2 ASN A 57 9.345 35.945 1.577 1.00 1.21 N ATOM 0 H ASN A 57 4.388 36.058 0.491 1.00 70.35 H new ATOM 0 HA ASN A 57 6.495 37.542 1.962 1.00 14.12 H new ATOM 0 HB2 ASN A 57 6.340 34.813 1.280 1.00 40.43 H new ATOM 0 HB3 ASN A 57 7.393 35.505 0.063 1.00 40.43 H new ATOM 0 HD21 ASN A 57 10.154 35.958 2.198 1.00 1.21 H new ATOM 0 HD22 ASN A 57 9.461 36.149 0.584 1.00 1.21 H new ATOM 856 N PRO A 58 7.380 38.738 -0.104 1.00 4.21 N ATOM 857 CA PRO A 58 7.720 39.593 -1.254 1.00 14.42 C ATOM 858 C PRO A 58 8.390 38.824 -2.394 1.00 2.13 C ATOM 859 O PRO A 58 8.409 39.285 -3.536 1.00 0.21 O ATOM 860 CB PRO A 58 8.689 40.620 -0.660 1.00 72.54 C ATOM 861 CG PRO A 58 9.256 39.970 0.553 1.00 33.21 C ATOM 862 CD PRO A 58 8.173 39.082 1.093 1.00 42.52 C ATOM 0 HA PRO A 58 6.829 40.031 -1.703 1.00 14.42 H new ATOM 0 HB2 PRO A 58 9.474 40.878 -1.371 1.00 72.54 H new ATOM 0 HB3 PRO A 58 8.173 41.546 -0.405 1.00 72.54 H new ATOM 0 HG2 PRO A 58 10.147 39.392 0.306 1.00 33.21 H new ATOM 0 HG3 PRO A 58 9.554 40.715 1.291 1.00 33.21 H new ATOM 0 HD2 PRO A 58 8.584 38.193 1.571 1.00 42.52 H new ATOM 0 HD3 PRO A 58 7.569 39.595 1.841 1.00 42.52 H new ATOM 870 N SER A 59 8.937 37.652 -2.079 1.00 22.34 N ATOM 871 CA SER A 59 9.604 36.822 -3.077 1.00 32.21 C ATOM 872 C SER A 59 8.753 35.605 -3.438 1.00 3.10 C ATOM 873 O SER A 59 9.223 34.680 -4.103 1.00 60.44 O ATOM 874 CB SER A 59 10.972 36.371 -2.558 1.00 2.30 C ATOM 875 OG SER A 59 10.863 35.775 -1.277 1.00 74.44 O ATOM 0 H SER A 59 8.931 37.256 -1.139 1.00 22.34 H new ATOM 0 HA SER A 59 9.742 37.420 -3.978 1.00 32.21 H new ATOM 0 HB2 SER A 59 11.412 35.660 -3.257 1.00 2.30 H new ATOM 0 HB3 SER A 59 11.645 37.227 -2.508 1.00 2.30 H new ATOM 0 HG SER A 59 11.750 35.495 -0.970 1.00 74.44 H new ATOM 881 N TRP A 60 7.496 35.616 -3.002 1.00 54.22 N ATOM 882 CA TRP A 60 6.575 34.518 -3.276 1.00 73.23 C ATOM 883 C TRP A 60 5.711 34.833 -4.493 1.00 21.41 C ATOM 884 O TRP A 60 4.736 35.578 -4.397 1.00 4.11 O ATOM 885 CB TRP A 60 5.691 34.263 -2.054 1.00 72.33 C ATOM 886 CG TRP A 60 5.173 32.861 -1.953 1.00 64.10 C ATOM 887 CD1 TRP A 60 5.592 31.769 -2.659 1.00 5.03 C ATOM 888 CD2 TRP A 60 4.138 32.399 -1.078 1.00 71.35 C ATOM 889 NE1 TRP A 60 4.877 30.660 -2.279 1.00 45.43 N ATOM 890 CE2 TRP A 60 3.980 31.020 -1.310 1.00 14.41 C ATOM 891 CE3 TRP A 60 3.330 33.019 -0.122 1.00 2.32 C ATOM 892 CZ2 TRP A 60 3.046 30.252 -0.621 1.00 3.23 C ATOM 893 CZ3 TRP A 60 2.405 32.256 0.562 1.00 0.13 C ATOM 894 CH2 TRP A 60 2.270 30.884 0.310 1.00 54.24 C ATOM 0 H TRP A 60 7.091 36.376 -2.456 1.00 54.22 H new ATOM 0 HA TRP A 60 7.156 33.621 -3.490 1.00 73.23 H new ATOM 0 HB2 TRP A 60 6.260 34.494 -1.153 1.00 72.33 H new ATOM 0 HB3 TRP A 60 4.845 34.950 -2.082 1.00 72.33 H new ATOM 0 HD1 TRP A 60 6.371 31.777 -3.407 1.00 5.03 H new ATOM 0 HE1 TRP A 60 4.995 29.720 -2.658 1.00 45.43 H new ATOM 0 HE3 TRP A 60 3.427 34.076 0.078 1.00 2.32 H new ATOM 0 HZ2 TRP A 60 2.938 29.195 -0.815 1.00 3.23 H new ATOM 0 HZ3 TRP A 60 1.775 32.724 1.304 1.00 0.13 H new ATOM 0 HH2 TRP A 60 1.538 30.314 0.863 1.00 54.24 H new ATOM 905 N HIS A 61 6.082 34.269 -5.640 1.00 25.52 N ATOM 906 CA HIS A 61 5.344 34.492 -6.881 1.00 54.03 C ATOM 907 C HIS A 61 5.191 33.196 -7.673 1.00 24.45 C ATOM 908 O HIS A 61 4.393 33.129 -8.610 1.00 34.41 O ATOM 909 CB HIS A 61 6.055 35.538 -7.749 1.00 24.23 C ATOM 910 CG HIS A 61 6.118 36.902 -7.131 1.00 61.24 C ATOM 911 ND1 HIS A 61 5.035 37.753 -7.072 1.00 12.42 N ATOM 912 CD2 HIS A 61 7.143 37.560 -6.539 1.00 32.11 C ATOM 913 CE1 HIS A 61 5.390 38.874 -6.471 1.00 74.03 C ATOM 914 NE2 HIS A 61 6.664 38.782 -6.138 1.00 73.22 N ATOM 0 H HIS A 61 6.890 33.654 -5.736 1.00 25.52 H new ATOM 0 HA HIS A 61 4.353 34.857 -6.612 1.00 54.03 H new ATOM 0 HB2 HIS A 61 7.069 35.196 -7.954 1.00 24.23 H new ATOM 0 HB3 HIS A 61 5.542 35.608 -8.708 1.00 24.23 H new ATOM 0 HD2 HIS A 61 8.150 37.192 -6.407 1.00 32.11 H new ATOM 0 HE1 HIS A 61 4.747 39.722 -6.284 1.00 74.03 H new ATOM 0 HE2 HIS A 61 7.205 39.503 -5.660 1.00 73.22 H new ATOM 923 N LEU A 62 5.964 32.175 -7.282 1.00 60.23 N ATOM 924 CA LEU A 62 5.948 30.867 -7.945 1.00 53.32 C ATOM 925 C LEU A 62 6.405 30.979 -9.397 1.00 64.45 C ATOM 926 O LEU A 62 5.583 31.107 -10.308 1.00 4.12 O ATOM 927 CB LEU A 62 4.559 30.220 -7.872 1.00 60.31 C ATOM 928 CG LEU A 62 4.412 29.107 -6.831 1.00 5.22 C ATOM 929 CD1 LEU A 62 4.583 29.659 -5.427 1.00 43.25 C ATOM 930 CD2 LEU A 62 3.064 28.421 -6.971 1.00 53.32 C ATOM 0 H LEU A 62 6.616 32.233 -6.500 1.00 60.23 H new ATOM 0 HA LEU A 62 6.650 30.226 -7.412 1.00 53.32 H new ATOM 0 HB2 LEU A 62 3.825 30.996 -7.656 1.00 60.31 H new ATOM 0 HB3 LEU A 62 4.313 29.813 -8.853 1.00 60.31 H new ATOM 0 HG LEU A 62 5.195 28.370 -7.007 1.00 5.22 H new ATOM 0 HD11 LEU A 62 4.475 28.852 -4.703 1.00 43.25 H new ATOM 0 HD12 LEU A 62 5.573 30.104 -5.329 1.00 43.25 H new ATOM 0 HD13 LEU A 62 3.824 30.418 -5.240 1.00 43.25 H new ATOM 0 HD21 LEU A 62 2.977 27.633 -6.223 1.00 53.32 H new ATOM 0 HD22 LEU A 62 2.268 29.150 -6.824 1.00 53.32 H new ATOM 0 HD23 LEU A 62 2.978 27.987 -7.967 1.00 53.32 H new ATOM 942 N ALA A 63 7.728 30.934 -9.590 1.00 74.21 N ATOM 943 CA ALA A 63 8.339 31.031 -10.917 1.00 61.02 C ATOM 944 C ALA A 63 8.009 32.365 -11.589 1.00 53.04 C ATOM 945 O ALA A 63 7.797 33.373 -10.911 1.00 15.12 O ATOM 946 CB ALA A 63 7.909 29.857 -11.790 1.00 32.44 C ATOM 0 H ALA A 63 8.402 30.830 -8.832 1.00 74.21 H new ATOM 0 HA ALA A 63 9.421 30.989 -10.792 1.00 61.02 H new ATOM 0 HB1 ALA A 63 8.372 29.945 -12.773 1.00 32.44 H new ATOM 0 HB2 ALA A 63 8.222 28.923 -11.324 1.00 32.44 H new ATOM 0 HB3 ALA A 63 6.824 29.862 -11.899 1.00 32.44 H new ATOM 952 N ASP A 64 7.981 32.370 -12.921 1.00 13.50 N ATOM 953 CA ASP A 64 7.675 33.579 -13.677 1.00 61.22 C ATOM 954 C ASP A 64 6.186 33.905 -13.589 1.00 52.13 C ATOM 955 O ASP A 64 5.343 33.153 -14.078 1.00 50.40 O ATOM 956 CB ASP A 64 8.096 33.412 -15.139 1.00 24.33 C ATOM 957 CG ASP A 64 8.267 34.742 -15.846 1.00 12.13 C ATOM 958 OD1 ASP A 64 9.338 35.364 -15.689 1.00 72.03 O ATOM 959 OD2 ASP A 64 7.331 35.160 -16.556 1.00 51.52 O1- ATOM 0 H ASP A 64 8.167 31.549 -13.497 1.00 13.50 H new ATOM 0 HA ASP A 64 8.236 34.407 -13.244 1.00 61.22 H new ATOM 0 HB2 ASP A 64 9.033 32.857 -15.183 1.00 24.33 H new ATOM 0 HB3 ASP A 64 7.348 32.818 -15.664 1.00 24.33 H new ATOM 964 N GLU A 65 5.876 35.032 -12.953 1.00 54.02 N ATOM 965 CA GLU A 65 4.493 35.466 -12.777 1.00 23.21 C ATOM 966 C GLU A 65 3.974 36.308 -13.960 1.00 24.42 C ATOM 967 O GLU A 65 2.885 36.031 -14.463 1.00 2.34 O ATOM 968 CB GLU A 65 4.345 36.239 -11.462 1.00 35.22 C ATOM 969 CG GLU A 65 2.900 36.481 -11.052 1.00 42.51 C ATOM 970 CD GLU A 65 2.779 37.051 -9.652 1.00 74.11 C ATOM 971 OE1 GLU A 65 2.829 38.291 -9.510 1.00 14.14 O ATOM 972 OE2 GLU A 65 2.635 36.258 -8.698 1.00 65.12 O1- ATOM 0 H GLU A 65 6.568 35.664 -12.549 1.00 54.02 H new ATOM 0 HA GLU A 65 3.879 34.566 -12.742 1.00 23.21 H new ATOM 0 HB2 GLU A 65 4.851 35.688 -10.669 1.00 35.22 H new ATOM 0 HB3 GLU A 65 4.852 37.199 -11.557 1.00 35.22 H new ATOM 0 HG2 GLU A 65 2.435 37.166 -11.761 1.00 42.51 H new ATOM 0 HG3 GLU A 65 2.348 35.542 -11.107 1.00 42.51 H new ATOM 979 N PRO A 66 4.721 37.352 -14.420 1.00 43.01 N ATOM 980 CA PRO A 66 4.287 38.205 -15.543 1.00 13.12 C ATOM 981 C PRO A 66 3.885 37.412 -16.788 1.00 4.25 C ATOM 982 O PRO A 66 2.765 37.548 -17.282 1.00 42.32 O ATOM 983 CB PRO A 66 5.515 39.081 -15.843 1.00 70.11 C ATOM 984 CG PRO A 66 6.642 38.490 -15.066 1.00 54.50 C ATOM 985 CD PRO A 66 6.020 37.803 -13.889 1.00 23.15 C ATOM 0 HA PRO A 66 3.395 38.772 -15.277 1.00 13.12 H new ATOM 0 HB2 PRO A 66 5.738 39.088 -16.910 1.00 70.11 H new ATOM 0 HB3 PRO A 66 5.338 40.115 -15.548 1.00 70.11 H new ATOM 0 HG2 PRO A 66 7.207 37.785 -15.675 1.00 54.50 H new ATOM 0 HG3 PRO A 66 7.340 39.262 -14.742 1.00 54.50 H new ATOM 0 HD2 PRO A 66 6.627 36.967 -13.542 1.00 23.15 H new ATOM 0 HD3 PRO A 66 5.898 38.480 -13.044 1.00 23.15 H new ATOM 993 N ALA A 67 4.798 36.585 -17.290 1.00 24.23 N ATOM 994 CA ALA A 67 4.525 35.778 -18.473 1.00 34.21 C ATOM 995 C ALA A 67 4.156 34.348 -18.091 1.00 64.33 C ATOM 996 O ALA A 67 4.492 33.877 -17.003 1.00 15.33 O ATOM 997 CB ALA A 67 5.726 35.786 -19.408 1.00 61.20 C ATOM 0 H ALA A 67 5.730 36.457 -16.897 1.00 24.23 H new ATOM 0 HA ALA A 67 3.673 36.217 -18.992 1.00 34.21 H new ATOM 0 HB1 ALA A 67 5.507 35.179 -20.287 1.00 61.20 H new ATOM 0 HB2 ALA A 67 5.939 36.809 -19.718 1.00 61.20 H new ATOM 0 HB3 ALA A 67 6.593 35.375 -18.890 1.00 61.20 H new ATOM 1003 N VAL A 68 3.459 33.664 -18.994 1.00 24.33 N ATOM 1004 CA VAL A 68 3.040 32.287 -18.757 1.00 52.42 C ATOM 1005 C VAL A 68 3.631 31.346 -19.810 1.00 54.54 C ATOM 1006 O VAL A 68 3.646 31.657 -21.003 1.00 22.13 O ATOM 1007 CB VAL A 68 1.494 32.166 -18.735 1.00 52.45 C ATOM 1008 CG1 VAL A 68 0.882 32.671 -20.035 1.00 33.15 C ATOM 1009 CG2 VAL A 68 1.061 30.733 -18.456 1.00 71.52 C ATOM 0 H VAL A 68 3.173 34.042 -19.897 1.00 24.33 H new ATOM 0 HA VAL A 68 3.419 31.993 -17.778 1.00 52.42 H new ATOM 0 HB VAL A 68 1.126 32.795 -17.925 1.00 52.45 H new ATOM 0 HG11 VAL A 68 -0.203 32.573 -19.989 1.00 33.15 H new ATOM 0 HG12 VAL A 68 1.146 33.719 -20.178 1.00 33.15 H new ATOM 0 HG13 VAL A 68 1.264 32.083 -20.870 1.00 33.15 H new ATOM 0 HG21 VAL A 68 -0.028 30.677 -18.446 1.00 71.52 H new ATOM 0 HG22 VAL A 68 1.451 30.077 -19.234 1.00 71.52 H new ATOM 0 HG23 VAL A 68 1.449 30.418 -17.488 1.00 71.52 H new ATOM 1019 N ASN A 69 4.137 30.203 -19.353 1.00 12.52 N ATOM 1020 CA ASN A 69 4.728 29.212 -20.245 1.00 62.31 C ATOM 1021 C ASN A 69 3.645 28.300 -20.820 1.00 52.35 C ATOM 1022 O ASN A 69 2.699 27.931 -20.123 1.00 12.14 O ATOM 1023 CB ASN A 69 5.777 28.388 -19.494 1.00 64.52 C ATOM 1024 CG ASN A 69 6.791 27.746 -20.422 1.00 44.03 C ATOM 1025 OD1 ASN A 69 6.643 26.593 -20.821 1.00 1.12 O ATOM 1026 ND2 ASN A 69 7.828 28.497 -20.773 1.00 14.02 N ATOM 0 H ASN A 69 4.149 29.941 -18.367 1.00 12.52 H new ATOM 0 HA ASN A 69 5.216 29.730 -21.071 1.00 62.31 H new ATOM 0 HB2 ASN A 69 6.297 29.030 -18.783 1.00 64.52 H new ATOM 0 HB3 ASN A 69 5.277 27.611 -18.916 1.00 64.52 H new ATOM 0 HD21 ASN A 69 8.541 28.121 -21.398 1.00 14.02 H new ATOM 0 HD22 ASN A 69 7.911 29.450 -20.418 1.00 14.02 H new ATOM 1033 N GLY A 70 3.790 27.942 -22.094 1.00 41.10 N ATOM 1034 CA GLY A 70 2.811 27.087 -22.745 1.00 22.11 C ATOM 1035 C GLY A 70 3.093 25.605 -22.565 1.00 22.11 C ATOM 1036 O GLY A 70 2.233 24.776 -22.862 1.00 72.54 O ATOM 0 H GLY A 70 4.568 28.229 -22.687 1.00 41.10 H new ATOM 0 HA2 GLY A 70 1.821 27.312 -22.348 1.00 22.11 H new ATOM 0 HA3 GLY A 70 2.788 27.319 -23.810 1.00 22.11 H new ATOM 1040 N ALA A 71 4.300 25.285 -22.078 1.00 32.52 N ATOM 1041 CA ALA A 71 4.730 23.899 -21.849 1.00 73.22 C ATOM 1042 C ALA A 71 4.834 23.116 -23.157 1.00 30.32 C ATOM 1043 O ALA A 71 3.829 22.673 -23.716 1.00 20.43 O ATOM 1044 CB ALA A 71 3.801 23.193 -20.867 1.00 43.24 C ATOM 0 H ALA A 71 5.005 25.980 -21.832 1.00 32.52 H new ATOM 0 HA ALA A 71 5.727 23.937 -21.409 1.00 73.22 H new ATOM 0 HB1 ALA A 71 4.142 22.169 -20.715 1.00 43.24 H new ATOM 0 HB2 ALA A 71 3.808 23.723 -19.914 1.00 43.24 H new ATOM 0 HB3 ALA A 71 2.788 23.182 -21.268 1.00 43.24 H new ATOM 1050 N THR A 72 6.065 22.941 -23.635 1.00 74.51 N ATOM 1051 CA THR A 72 6.314 22.217 -24.879 1.00 32.31 C ATOM 1052 C THR A 72 6.193 20.703 -24.685 1.00 34.30 C ATOM 1053 O THR A 72 5.901 19.971 -25.631 1.00 52.30 O ATOM 1054 CB THR A 72 7.709 22.555 -25.455 1.00 41.01 C ATOM 1055 OG1 THR A 72 7.938 21.817 -26.662 1.00 34.24 O ATOM 1056 CG2 THR A 72 8.813 22.248 -24.451 1.00 71.34 C ATOM 0 H THR A 72 6.907 23.292 -23.178 1.00 74.51 H new ATOM 0 HA THR A 72 5.551 22.538 -25.588 1.00 32.31 H new ATOM 0 HB THR A 72 7.729 23.623 -25.671 1.00 41.01 H new ATOM 0 HG1 THR A 72 8.823 22.040 -27.019 1.00 34.24 H new ATOM 0 HG21 THR A 72 9.781 22.497 -24.887 1.00 71.34 H new ATOM 0 HG22 THR A 72 8.659 22.839 -23.548 1.00 71.34 H new ATOM 0 HG23 THR A 72 8.791 21.188 -24.198 1.00 71.34 H new ATOM 1064 N GLY A 73 6.410 20.243 -23.455 1.00 71.44 N ATOM 1065 CA GLY A 73 6.318 18.823 -23.168 1.00 14.10 C ATOM 1066 C GLY A 73 7.564 18.284 -22.496 1.00 53.25 C ATOM 1067 O GLY A 73 8.520 19.023 -22.256 1.00 51.51 O ATOM 0 H GLY A 73 6.647 20.828 -22.654 1.00 71.44 H new ATOM 0 HA2 GLY A 73 5.456 18.641 -22.527 1.00 14.10 H new ATOM 0 HA3 GLY A 73 6.146 18.279 -24.096 1.00 14.10 H new ATOM 1071 N HIS A 74 7.553 16.991 -22.190 1.00 3.13 N ATOM 1072 CA HIS A 74 8.689 16.346 -21.540 1.00 25.33 C ATOM 1073 C HIS A 74 9.182 15.148 -22.351 1.00 21.44 C ATOM 1074 O HIS A 74 9.897 14.289 -21.835 1.00 51.01 O ATOM 1075 CB HIS A 74 8.320 15.911 -20.115 1.00 20.21 C ATOM 1076 CG HIS A 74 7.039 15.132 -20.016 1.00 74.00 C ATOM 1077 ND1 HIS A 74 5.815 15.722 -19.782 1.00 3.44 N ATOM 1078 CD2 HIS A 74 6.800 13.802 -20.108 1.00 2.52 C ATOM 1079 CE1 HIS A 74 4.881 14.790 -19.732 1.00 10.44 C ATOM 1080 NE2 HIS A 74 5.453 13.618 -19.928 1.00 13.23 N ATOM 0 H HIS A 74 6.769 16.368 -22.382 1.00 3.13 H new ATOM 0 HA HIS A 74 9.499 17.073 -21.484 1.00 25.33 H new ATOM 0 HB2 HIS A 74 9.131 15.305 -19.711 1.00 20.21 H new ATOM 0 HB3 HIS A 74 8.241 16.798 -19.486 1.00 20.21 H new ATOM 0 HD1 HIS A 74 5.656 16.723 -19.666 1.00 3.44 H new ATOM 0 HD2 HIS A 74 7.533 13.030 -20.289 1.00 2.52 H new ATOM 0 HE1 HIS A 74 3.828 14.959 -19.560 1.00 10.44 H new ATOM 1089 N SER A 75 8.804 15.108 -23.628 1.00 22.24 N ATOM 1090 CA SER A 75 9.206 14.022 -24.519 1.00 71.32 C ATOM 1091 C SER A 75 10.664 14.175 -24.956 1.00 3.04 C ATOM 1092 O SER A 75 11.261 13.241 -25.493 1.00 40.42 O ATOM 1093 CB SER A 75 8.293 13.978 -25.747 1.00 64.34 C ATOM 1094 OG SER A 75 8.316 15.210 -26.448 1.00 61.11 O ATOM 0 H SER A 75 8.218 15.817 -24.069 1.00 22.24 H new ATOM 0 HA SER A 75 9.112 13.085 -23.969 1.00 71.32 H new ATOM 0 HB2 SER A 75 8.610 13.173 -26.410 1.00 64.34 H new ATOM 0 HB3 SER A 75 7.273 13.752 -25.437 1.00 64.34 H new ATOM 0 HG SER A 75 7.726 15.153 -27.228 1.00 61.11 H new ATOM 1100 N SER A 76 11.228 15.358 -24.723 1.00 54.44 N ATOM 1101 CA SER A 76 12.616 15.632 -25.080 1.00 15.10 C ATOM 1102 C SER A 76 13.538 15.384 -23.888 1.00 53.35 C ATOM 1103 O SER A 76 14.745 15.204 -24.051 1.00 23.24 O ATOM 1104 CB SER A 76 12.765 17.076 -25.563 1.00 73.21 C ATOM 1105 OG SER A 76 11.978 17.312 -26.718 1.00 73.30 O ATOM 0 H SER A 76 10.743 16.143 -24.288 1.00 54.44 H new ATOM 0 HA SER A 76 12.901 14.957 -25.887 1.00 15.10 H new ATOM 0 HB2 SER A 76 12.466 17.761 -24.769 1.00 73.21 H new ATOM 0 HB3 SER A 76 13.812 17.282 -25.784 1.00 73.21 H new ATOM 0 HG SER A 76 12.090 18.242 -27.005 1.00 73.30 H new ATOM 1111 N SER A 77 12.956 15.375 -22.690 1.00 50.20 N ATOM 1112 CA SER A 77 13.714 15.148 -21.465 1.00 40.52 C ATOM 1113 C SER A 77 13.918 13.655 -21.221 1.00 25.42 C ATOM 1114 O SER A 77 15.054 13.184 -21.143 1.00 12.15 O ATOM 1115 CB SER A 77 12.990 15.779 -20.273 1.00 12.03 C ATOM 1116 OG SER A 77 12.772 17.164 -20.483 1.00 2.11 O ATOM 0 H SER A 77 11.958 15.523 -22.543 1.00 50.20 H new ATOM 0 HA SER A 77 14.692 15.615 -21.577 1.00 40.52 H new ATOM 0 HB2 SER A 77 12.035 15.277 -20.116 1.00 12.03 H new ATOM 0 HB3 SER A 77 13.579 15.634 -19.367 1.00 12.03 H new ATOM 0 HG SER A 77 12.307 17.543 -19.708 1.00 2.11 H new ATOM 1122 N LEU A 78 12.801 12.928 -21.105 1.00 45.32 N ATOM 1123 CA LEU A 78 12.807 11.478 -20.874 1.00 1.43 C ATOM 1124 C LEU A 78 13.432 11.113 -19.524 1.00 1.33 C ATOM 1125 O LEU A 78 12.745 11.122 -18.500 1.00 32.03 O ATOM 1126 CB LEU A 78 13.520 10.742 -22.017 1.00 62.23 C ATOM 1127 CG LEU A 78 12.896 10.930 -23.403 1.00 4.35 C ATOM 1128 CD1 LEU A 78 13.698 10.179 -24.455 1.00 12.55 C ATOM 1129 CD2 LEU A 78 11.446 10.467 -23.407 1.00 53.04 C ATOM 0 H LEU A 78 11.865 13.329 -21.169 1.00 45.32 H new ATOM 0 HA LEU A 78 11.766 11.155 -20.849 1.00 1.43 H new ATOM 0 HB2 LEU A 78 14.556 11.079 -22.054 1.00 62.23 H new ATOM 0 HB3 LEU A 78 13.539 9.677 -21.786 1.00 62.23 H new ATOM 0 HG LEU A 78 12.917 11.992 -23.646 1.00 4.35 H new ATOM 0 HD11 LEU A 78 13.240 10.324 -25.434 1.00 12.55 H new ATOM 0 HD12 LEU A 78 14.720 10.558 -24.473 1.00 12.55 H new ATOM 0 HD13 LEU A 78 13.710 9.116 -24.214 1.00 12.55 H new ATOM 0 HD21 LEU A 78 11.021 10.609 -24.401 1.00 53.04 H new ATOM 0 HD22 LEU A 78 11.401 9.411 -23.141 1.00 53.04 H new ATOM 0 HD23 LEU A 78 10.876 11.049 -22.682 1.00 53.04 H new ATOM 1141 N ASP A 79 14.733 10.789 -19.537 1.00 4.20 N ATOM 1142 CA ASP A 79 15.473 10.408 -18.326 1.00 44.32 C ATOM 1143 C ASP A 79 14.963 9.082 -17.753 1.00 33.32 C ATOM 1144 O ASP A 79 15.222 8.758 -16.594 1.00 63.14 O ATOM 1145 CB ASP A 79 15.392 11.508 -17.258 1.00 21.32 C ATOM 1146 CG ASP A 79 16.050 12.801 -17.699 1.00 24.35 C ATOM 1147 OD1 ASP A 79 17.297 12.865 -17.690 1.00 44.45 O ATOM 1148 OD2 ASP A 79 15.319 13.751 -18.050 1.00 14.03 O1- ATOM 0 H ASP A 79 15.300 10.784 -20.385 1.00 4.20 H new ATOM 0 HA ASP A 79 16.516 10.279 -18.614 1.00 44.32 H new ATOM 0 HB2 ASP A 79 14.346 11.700 -17.019 1.00 21.32 H new ATOM 0 HB3 ASP A 79 15.869 11.156 -16.343 1.00 21.32 H new ATOM 1153 N ALA A 80 14.256 8.311 -18.581 1.00 3.21 N ATOM 1154 CA ALA A 80 13.706 7.025 -18.161 1.00 40.04 C ATOM 1155 C ALA A 80 14.627 5.870 -18.556 1.00 24.34 C ATOM 1156 O ALA A 80 14.166 4.783 -18.909 1.00 30.50 O ATOM 1157 CB ALA A 80 12.321 6.831 -18.761 1.00 74.44 C ATOM 0 H ALA A 80 14.051 8.558 -19.549 1.00 3.21 H new ATOM 0 HA ALA A 80 13.626 7.028 -17.074 1.00 40.04 H new ATOM 0 HB1 ALA A 80 11.918 5.870 -18.443 1.00 74.44 H new ATOM 0 HB2 ALA A 80 11.662 7.631 -18.422 1.00 74.44 H new ATOM 0 HB3 ALA A 80 12.389 6.854 -19.849 1.00 74.44 H new ATOM 1163 N ARG A 81 15.932 6.115 -18.479 1.00 45.31 N ATOM 1164 CA ARG A 81 16.933 5.109 -18.826 1.00 23.14 C ATOM 1165 C ARG A 81 17.150 4.124 -17.675 1.00 60.05 C ATOM 1166 O ARG A 81 17.670 3.026 -17.876 1.00 31.14 O ATOM 1167 CB ARG A 81 18.252 5.791 -19.205 1.00 43.53 C ATOM 1168 CG ARG A 81 18.684 6.875 -18.229 1.00 62.34 C ATOM 1169 CD ARG A 81 19.844 7.693 -18.773 1.00 33.32 C ATOM 1170 NE ARG A 81 20.213 8.780 -17.867 1.00 51.30 N ATOM 1171 CZ ARG A 81 19.764 10.029 -17.984 1.00 65.54 C ATOM 1172 NH1 ARG A 81 18.933 10.354 -18.966 1.00 5.44 N1+ ATOM 1173 NH2 ARG A 81 20.140 10.953 -17.111 1.00 2.11 N ATOM 0 H ARG A 81 16.323 7.007 -18.177 1.00 45.31 H new ATOM 0 HA ARG A 81 16.567 4.543 -19.683 1.00 23.14 H new ATOM 0 HB2 ARG A 81 19.036 5.036 -19.266 1.00 43.53 H new ATOM 0 HB3 ARG A 81 18.152 6.228 -20.198 1.00 43.53 H new ATOM 0 HG2 ARG A 81 17.841 7.534 -18.020 1.00 62.34 H new ATOM 0 HG3 ARG A 81 18.973 6.418 -17.283 1.00 62.34 H new ATOM 0 HD2 ARG A 81 20.705 7.043 -18.931 1.00 33.32 H new ATOM 0 HD3 ARG A 81 19.574 8.106 -19.745 1.00 33.32 H new ATOM 0 HE ARG A 81 20.852 8.570 -17.100 1.00 51.30 H new ATOM 0 HH11 ARG A 81 18.634 9.646 -19.637 1.00 5.44 H new ATOM 0 HH12 ARG A 81 18.593 11.312 -19.050 1.00 5.44 H new ATOM 0 HH21 ARG A 81 20.773 10.708 -16.350 1.00 2.11 H new ATOM 0 HH22 ARG A 81 19.796 11.909 -17.201 1.00 2.11 H new ATOM 1187 N GLU A 82 16.747 4.526 -16.470 1.00 70.12 N ATOM 1188 CA GLU A 82 16.880 3.677 -15.289 1.00 23.31 C ATOM 1189 C GLU A 82 15.540 3.036 -14.933 1.00 4.31 C ATOM 1190 O GLU A 82 15.462 2.216 -14.016 1.00 72.35 O ATOM 1191 CB GLU A 82 17.398 4.487 -14.095 1.00 20.40 C ATOM 1192 CG GLU A 82 18.915 4.539 -13.989 1.00 15.22 C ATOM 1193 CD GLU A 82 19.548 5.459 -15.014 1.00 12.33 C ATOM 1194 OE1 GLU A 82 20.170 4.947 -15.968 1.00 34.55 O ATOM 1195 OE2 GLU A 82 19.421 6.693 -14.863 1.00 22.15 O1- ATOM 0 H GLU A 82 16.325 5.436 -16.287 1.00 70.12 H new ATOM 0 HA GLU A 82 17.598 2.891 -15.521 1.00 23.31 H new ATOM 0 HB2 GLU A 82 17.015 5.505 -14.167 1.00 20.40 H new ATOM 0 HB3 GLU A 82 16.995 4.059 -13.177 1.00 20.40 H new ATOM 0 HG2 GLU A 82 19.193 4.872 -12.989 1.00 15.22 H new ATOM 0 HG3 GLU A 82 19.317 3.534 -14.113 1.00 15.22 H new ATOM 1202 N VAL A 83 14.493 3.416 -15.681 1.00 0.31 N ATOM 1203 CA VAL A 83 13.130 2.905 -15.473 1.00 11.23 C ATOM 1204 C VAL A 83 12.676 3.134 -14.023 1.00 23.34 C ATOM 1205 O VAL A 83 13.079 4.120 -13.407 1.00 54.21 O ATOM 1206 CB VAL A 83 12.998 1.401 -15.850 1.00 21.33 C ATOM 1207 CG1 VAL A 83 11.587 1.089 -16.337 1.00 15.22 C ATOM 1208 CG2 VAL A 83 14.012 1.005 -16.918 1.00 54.14 C ATOM 0 H VAL A 83 14.568 4.086 -16.447 1.00 0.31 H new ATOM 0 HA VAL A 83 12.477 3.466 -16.142 1.00 11.23 H new ATOM 0 HB VAL A 83 13.201 0.820 -14.950 1.00 21.33 H new ATOM 0 HG11 VAL A 83 11.517 0.032 -16.595 1.00 15.22 H new ATOM 0 HG12 VAL A 83 10.871 1.318 -15.548 1.00 15.22 H new ATOM 0 HG13 VAL A 83 11.364 1.693 -17.216 1.00 15.22 H new ATOM 0 HG21 VAL A 83 13.893 -0.051 -17.159 1.00 54.14 H new ATOM 0 HG22 VAL A 83 13.848 1.602 -17.815 1.00 54.14 H new ATOM 0 HG23 VAL A 83 15.021 1.181 -16.545 1.00 54.14 H new ATOM 1218 N ILE A 84 11.832 2.220 -13.501 1.00 35.11 N ATOM 1219 CA ILE A 84 11.285 2.274 -12.126 1.00 61.14 C ATOM 1220 C ILE A 84 10.520 3.584 -11.841 1.00 21.13 C ATOM 1221 O ILE A 84 10.628 4.554 -12.590 1.00 13.15 O ATOM 1222 CB ILE A 84 12.372 2.015 -11.035 1.00 74.23 C ATOM 1223 CG1 ILE A 84 13.117 3.298 -10.643 1.00 62.43 C ATOM 1224 CG2 ILE A 84 13.355 0.951 -11.504 1.00 74.14 C ATOM 1225 CD1 ILE A 84 14.098 3.108 -9.505 1.00 70.13 C ATOM 0 H ILE A 84 11.505 1.411 -14.029 1.00 35.11 H new ATOM 0 HA ILE A 84 10.565 1.457 -12.069 1.00 61.14 H new ATOM 0 HB ILE A 84 11.856 1.656 -10.145 1.00 74.23 H new ATOM 0 HG12 ILE A 84 13.653 3.677 -11.513 1.00 62.43 H new ATOM 0 HG13 ILE A 84 12.389 4.059 -10.361 1.00 62.43 H new ATOM 0 HG21 ILE A 84 14.105 0.783 -10.732 1.00 74.14 H new ATOM 0 HG22 ILE A 84 12.820 0.021 -11.698 1.00 74.14 H new ATOM 0 HG23 ILE A 84 13.844 1.286 -12.419 1.00 74.14 H new ATOM 0 HD11 ILE A 84 14.587 4.057 -9.284 1.00 70.13 H new ATOM 0 HD12 ILE A 84 13.566 2.759 -8.620 1.00 70.13 H new ATOM 0 HD13 ILE A 84 14.849 2.371 -9.791 1.00 70.13 H new ATOM 1237 N PRO A 85 9.691 3.618 -10.771 1.00 21.13 N ATOM 1238 CA PRO A 85 8.920 4.818 -10.413 1.00 73.14 C ATOM 1239 C PRO A 85 9.753 5.883 -9.687 1.00 50.23 C ATOM 1240 O PRO A 85 9.318 6.444 -8.680 1.00 4.23 O ATOM 1241 CB PRO A 85 7.832 4.265 -9.492 1.00 31.44 C ATOM 1242 CG PRO A 85 8.426 3.055 -8.864 1.00 53.42 C ATOM 1243 CD PRO A 85 9.408 2.490 -9.856 1.00 70.04 C ATOM 0 HA PRO A 85 8.542 5.332 -11.297 1.00 73.14 H new ATOM 0 HB2 PRO A 85 7.545 4.998 -8.738 1.00 31.44 H new ATOM 0 HB3 PRO A 85 6.932 4.015 -10.053 1.00 31.44 H new ATOM 0 HG2 PRO A 85 8.924 3.310 -7.929 1.00 53.42 H new ATOM 0 HG3 PRO A 85 7.653 2.324 -8.625 1.00 53.42 H new ATOM 0 HD2 PRO A 85 10.315 2.140 -9.363 1.00 70.04 H new ATOM 0 HD3 PRO A 85 8.988 1.639 -10.392 1.00 70.04 H new ATOM 1251 N MET A 86 10.940 6.170 -10.218 1.00 73.33 N ATOM 1252 CA MET A 86 11.828 7.169 -9.632 1.00 75.42 C ATOM 1253 C MET A 86 12.533 7.967 -10.725 1.00 34.14 C ATOM 1254 O MET A 86 12.660 9.188 -10.634 1.00 74.12 O ATOM 1255 CB MET A 86 12.865 6.498 -8.727 1.00 64.02 C ATOM 1256 CG MET A 86 13.635 7.475 -7.851 1.00 53.43 C ATOM 1257 SD MET A 86 14.888 6.665 -6.838 1.00 12.41 S ATOM 1258 CE MET A 86 16.156 6.340 -8.060 1.00 21.53 C ATOM 0 H MET A 86 11.309 5.722 -11.057 1.00 73.33 H new ATOM 0 HA MET A 86 11.224 7.851 -9.033 1.00 75.42 H new ATOM 0 HB2 MET A 86 12.362 5.771 -8.090 1.00 64.02 H new ATOM 0 HB3 MET A 86 13.571 5.945 -9.346 1.00 64.02 H new ATOM 0 HG2 MET A 86 14.113 8.224 -8.483 1.00 53.43 H new ATOM 0 HG3 MET A 86 12.936 8.004 -7.203 1.00 53.43 H new ATOM 0 HE1 MET A 86 16.412 5.281 -8.045 1.00 21.53 H new ATOM 0 HE2 MET A 86 15.786 6.610 -9.049 1.00 21.53 H new ATOM 0 HE3 MET A 86 17.043 6.931 -7.830 1.00 21.53 H new ATOM 1268 N ALA A 87 12.991 7.265 -11.759 1.00 54.22 N ATOM 1269 CA ALA A 87 13.684 7.903 -12.873 1.00 53.42 C ATOM 1270 C ALA A 87 12.744 8.125 -14.053 1.00 13.41 C ATOM 1271 O ALA A 87 12.937 9.047 -14.846 1.00 23.33 O ATOM 1272 CB ALA A 87 14.881 7.067 -13.300 1.00 24.21 C ATOM 0 H ALA A 87 12.894 6.253 -11.848 1.00 54.22 H new ATOM 0 HA ALA A 87 14.037 8.878 -12.536 1.00 53.42 H new ATOM 0 HB1 ALA A 87 15.388 7.556 -14.132 1.00 24.21 H new ATOM 0 HB2 ALA A 87 15.572 6.966 -12.463 1.00 24.21 H new ATOM 0 HB3 ALA A 87 14.542 6.079 -13.612 1.00 24.21 H new ATOM 1278 N ALA A 88 11.725 7.277 -14.163 1.00 61.15 N ATOM 1279 CA ALA A 88 10.755 7.386 -15.245 1.00 45.52 C ATOM 1280 C ALA A 88 9.734 8.483 -14.959 1.00 75.23 C ATOM 1281 O ALA A 88 9.230 9.126 -15.878 1.00 22.52 O ATOM 1282 CB ALA A 88 10.055 6.054 -15.467 1.00 71.22 C ATOM 0 H ALA A 88 11.551 6.508 -13.516 1.00 61.15 H new ATOM 0 HA ALA A 88 11.293 7.654 -16.154 1.00 45.52 H new ATOM 0 HB1 ALA A 88 9.334 6.153 -16.278 1.00 71.22 H new ATOM 0 HB2 ALA A 88 10.792 5.294 -15.727 1.00 71.22 H new ATOM 0 HB3 ALA A 88 9.537 5.759 -14.555 1.00 71.22 H new ATOM 1288 N VAL A 89 9.441 8.700 -13.677 1.00 43.51 N ATOM 1289 CA VAL A 89 8.478 9.724 -13.271 1.00 55.25 C ATOM 1290 C VAL A 89 9.168 11.076 -13.081 1.00 52.21 C ATOM 1291 O VAL A 89 8.576 12.027 -12.566 1.00 54.11 O ATOM 1292 CB VAL A 89 7.746 9.336 -11.967 1.00 14.41 C ATOM 1293 CG1 VAL A 89 6.345 9.930 -11.935 1.00 23.12 C ATOM 1294 CG2 VAL A 89 7.690 7.825 -11.806 1.00 12.30 C ATOM 0 H VAL A 89 9.856 8.181 -12.903 1.00 43.51 H new ATOM 0 HA VAL A 89 7.742 9.802 -14.071 1.00 55.25 H new ATOM 0 HB VAL A 89 8.310 9.747 -11.130 1.00 14.41 H new ATOM 0 HG11 VAL A 89 5.849 9.643 -11.008 1.00 23.12 H new ATOM 0 HG12 VAL A 89 6.409 11.017 -11.991 1.00 23.12 H new ATOM 0 HG13 VAL A 89 5.772 9.556 -12.783 1.00 23.12 H new ATOM 0 HG21 VAL A 89 7.170 7.577 -10.881 1.00 12.30 H new ATOM 0 HG22 VAL A 89 7.156 7.389 -12.650 1.00 12.30 H new ATOM 0 HG23 VAL A 89 8.703 7.425 -11.771 1.00 12.30 H new ATOM 1304 N LYS A 90 10.425 11.150 -13.512 1.00 23.33 N ATOM 1305 CA LYS A 90 11.212 12.375 -13.414 1.00 35.54 C ATOM 1306 C LYS A 90 10.786 13.362 -14.501 1.00 30.13 C ATOM 1307 O LYS A 90 11.181 14.528 -14.493 1.00 54.30 O ATOM 1308 CB LYS A 90 12.700 12.045 -13.556 1.00 23.43 C ATOM 1309 CG LYS A 90 13.627 13.103 -12.981 1.00 23.05 C ATOM 1310 CD LYS A 90 15.080 12.835 -13.346 1.00 34.41 C ATOM 1311 CE LYS A 90 15.580 11.528 -12.750 1.00 51.13 C ATOM 1312 NZ LYS A 90 17.002 11.267 -13.101 1.00 65.32 N1+ ATOM 0 H LYS A 90 10.923 10.368 -13.936 1.00 23.33 H new ATOM 0 HA LYS A 90 11.040 12.833 -12.440 1.00 35.54 H new ATOM 0 HB2 LYS A 90 12.899 11.095 -13.061 1.00 23.43 H new ATOM 0 HB3 LYS A 90 12.932 11.909 -14.612 1.00 23.43 H new ATOM 0 HG2 LYS A 90 13.333 14.085 -13.352 1.00 23.05 H new ATOM 0 HG3 LYS A 90 13.523 13.128 -11.896 1.00 23.05 H new ATOM 0 HD2 LYS A 90 15.182 12.803 -14.431 1.00 34.41 H new ATOM 0 HD3 LYS A 90 15.701 13.657 -12.992 1.00 34.41 H new ATOM 0 HE2 LYS A 90 15.473 11.559 -11.666 1.00 51.13 H new ATOM 0 HE3 LYS A 90 14.961 10.705 -13.108 1.00 51.13 H new ATOM 0 HZ1 LYS A 90 17.305 10.367 -12.676 1.00 65.32 H new ATOM 0 HZ2 LYS A 90 17.100 11.212 -14.135 1.00 65.32 H new ATOM 0 HZ3 LYS A 90 17.597 12.039 -12.738 1.00 65.32 H new ATOM 1326 N GLN A 91 9.974 12.875 -15.436 1.00 32.23 N ATOM 1327 CA GLN A 91 9.478 13.689 -16.537 1.00 13.32 C ATOM 1328 C GLN A 91 7.975 13.927 -16.404 1.00 4.30 C ATOM 1329 O GLN A 91 7.454 14.943 -16.866 1.00 74.41 O ATOM 1330 CB GLN A 91 9.783 13.002 -17.873 1.00 31.23 C ATOM 1331 CG GLN A 91 9.230 11.587 -17.970 1.00 63.44 C ATOM 1332 CD GLN A 91 9.542 10.914 -19.293 1.00 72.42 C ATOM 1333 OE1 GLN A 91 9.620 11.700 -20.359 1.00 73.13 O flip ATOM 1334 NE2 GLN A 91 9.707 9.696 -19.356 1.00 22.03 N flip ATOM 0 H GLN A 91 9.644 11.910 -15.450 1.00 32.23 H new ATOM 0 HA GLN A 91 9.982 14.655 -16.505 1.00 13.32 H new ATOM 0 HB2 GLN A 91 9.369 13.602 -18.683 1.00 31.23 H new ATOM 0 HB3 GLN A 91 10.863 12.972 -18.019 1.00 31.23 H new ATOM 0 HG2 GLN A 91 9.641 10.987 -17.158 1.00 63.44 H new ATOM 0 HG3 GLN A 91 8.149 11.616 -17.830 1.00 63.44 H new ATOM 0 HE21 GLN A 91 9.638 9.128 -18.512 1.00 22.03 H new ATOM 0 HE22 GLN A 91 9.912 9.255 -20.252 1.00 22.03 H new ATOM 1343 N ALA A 92 7.286 12.988 -15.754 1.00 50.43 N ATOM 1344 CA ALA A 92 5.841 13.080 -15.562 1.00 24.00 C ATOM 1345 C ALA A 92 5.476 14.095 -14.480 1.00 22.41 C ATOM 1346 O ALA A 92 4.317 14.488 -14.355 1.00 10.13 O ATOM 1347 CB ALA A 92 5.270 11.711 -15.221 1.00 21.40 C ATOM 0 H ALA A 92 7.709 12.152 -15.351 1.00 50.43 H new ATOM 0 HA ALA A 92 5.403 13.428 -16.497 1.00 24.00 H new ATOM 0 HB1 ALA A 92 4.192 11.791 -15.080 1.00 21.40 H new ATOM 0 HB2 ALA A 92 5.479 11.017 -16.035 1.00 21.40 H new ATOM 0 HB3 ALA A 92 5.730 11.343 -14.304 1.00 21.40 H new ATOM 1353 N LEU A 93 6.469 14.509 -13.696 1.00 71.20 N ATOM 1354 CA LEU A 93 6.252 15.485 -12.634 1.00 55.44 C ATOM 1355 C LEU A 93 7.116 16.726 -12.853 1.00 13.40 C ATOM 1356 O LEU A 93 7.182 17.607 -11.996 1.00 52.35 O ATOM 1357 CB LEU A 93 6.554 14.864 -11.267 1.00 70.05 C ATOM 1358 CG LEU A 93 5.588 13.761 -10.825 1.00 1.23 C ATOM 1359 CD1 LEU A 93 6.099 13.082 -9.566 1.00 33.44 C ATOM 1360 CD2 LEU A 93 4.194 14.328 -10.594 1.00 51.40 C ATOM 0 H LEU A 93 7.432 14.183 -13.777 1.00 71.20 H new ATOM 0 HA LEU A 93 5.205 15.786 -12.658 1.00 55.44 H new ATOM 0 HB2 LEU A 93 7.564 14.454 -11.287 1.00 70.05 H new ATOM 0 HB3 LEU A 93 6.546 15.655 -10.517 1.00 70.05 H new ATOM 0 HG LEU A 93 5.529 13.018 -11.621 1.00 1.23 H new ATOM 0 HD11 LEU A 93 5.401 12.301 -9.265 1.00 33.44 H new ATOM 0 HD12 LEU A 93 7.076 12.640 -9.762 1.00 33.44 H new ATOM 0 HD13 LEU A 93 6.187 13.817 -8.766 1.00 33.44 H new ATOM 0 HD21 LEU A 93 3.523 13.528 -10.281 1.00 51.40 H new ATOM 0 HD22 LEU A 93 4.236 15.092 -9.817 1.00 51.40 H new ATOM 0 HD23 LEU A 93 3.824 14.771 -11.519 1.00 51.40 H new ATOM 1372 N ARG A 94 7.773 16.786 -14.009 1.00 75.25 N ATOM 1373 CA ARG A 94 8.629 17.918 -14.351 1.00 35.44 C ATOM 1374 C ARG A 94 7.839 18.976 -15.118 1.00 1.44 C ATOM 1375 O ARG A 94 7.753 20.129 -14.696 1.00 14.23 O ATOM 1376 CB ARG A 94 9.822 17.445 -15.187 1.00 13.12 C ATOM 1377 CG ARG A 94 10.753 18.568 -15.617 1.00 23.13 C ATOM 1378 CD ARG A 94 11.920 18.041 -16.436 1.00 73.14 C ATOM 1379 NE ARG A 94 12.755 19.121 -16.955 1.00 61.42 N ATOM 1380 CZ ARG A 94 13.949 18.933 -17.512 1.00 60.12 C ATOM 1381 NH1 ARG A 94 14.451 17.710 -17.623 1.00 11.13 N1+ ATOM 1382 NH2 ARG A 94 14.642 19.969 -17.960 1.00 5.33 N ATOM 0 H ARG A 94 7.728 16.062 -14.726 1.00 75.25 H new ATOM 0 HA ARG A 94 8.998 18.363 -13.427 1.00 35.44 H new ATOM 0 HB2 ARG A 94 10.390 16.715 -14.611 1.00 13.12 H new ATOM 0 HB3 ARG A 94 9.451 16.933 -16.075 1.00 13.12 H new ATOM 0 HG2 ARG A 94 10.196 19.299 -16.203 1.00 23.13 H new ATOM 0 HG3 ARG A 94 11.130 19.087 -14.736 1.00 23.13 H new ATOM 0 HD2 ARG A 94 12.526 17.378 -15.819 1.00 73.14 H new ATOM 0 HD3 ARG A 94 11.541 17.445 -17.266 1.00 73.14 H new ATOM 0 HE ARG A 94 12.402 20.076 -16.887 1.00 61.42 H new ATOM 0 HH11 ARG A 94 13.921 16.908 -17.281 1.00 11.13 H new ATOM 0 HH12 ARG A 94 15.367 17.571 -18.051 1.00 11.13 H new ATOM 0 HH21 ARG A 94 14.261 20.911 -17.878 1.00 5.33 H new ATOM 0 HH22 ARG A 94 15.557 19.824 -18.387 1.00 5.33 H new ATOM 1396 N GLU A 95 7.258 18.571 -16.246 1.00 71.54 N ATOM 1397 CA GLU A 95 6.471 19.480 -17.074 1.00 74.44 C ATOM 1398 C GLU A 95 5.018 19.524 -16.597 1.00 64.42 C ATOM 1399 O GLU A 95 4.227 20.347 -17.053 1.00 2.11 O ATOM 1400 CB GLU A 95 6.536 19.047 -18.543 1.00 55.34 C ATOM 1401 CG GLU A 95 6.059 20.109 -19.524 1.00 74.24 C ATOM 1402 CD GLU A 95 6.927 21.354 -19.512 1.00 22.21 C ATOM 1403 OE1 GLU A 95 6.619 22.285 -18.737 1.00 32.21 O ATOM 1404 OE2 GLU A 95 7.911 21.399 -20.278 1.00 30.22 O1- ATOM 0 H GLU A 95 7.318 17.619 -16.607 1.00 71.54 H new ATOM 0 HA GLU A 95 6.892 20.481 -16.983 1.00 74.44 H new ATOM 0 HB2 GLU A 95 7.564 18.778 -18.786 1.00 55.34 H new ATOM 0 HB3 GLU A 95 5.932 18.149 -18.673 1.00 55.34 H new ATOM 0 HG2 GLU A 95 6.048 19.689 -20.530 1.00 74.24 H new ATOM 0 HG3 GLU A 95 5.033 20.385 -19.283 1.00 74.24 H new ATOM 1411 N ALA A 96 4.676 18.631 -15.673 1.00 33.44 N ATOM 1412 CA ALA A 96 3.325 18.574 -15.128 1.00 21.51 C ATOM 1413 C ALA A 96 3.301 19.037 -13.674 1.00 5.24 C ATOM 1414 O ALA A 96 2.235 19.175 -13.075 1.00 14.11 O ATOM 1415 CB ALA A 96 2.767 17.165 -15.246 1.00 50.44 C ATOM 0 H ALA A 96 5.316 17.937 -15.287 1.00 33.44 H new ATOM 0 HA ALA A 96 2.696 19.250 -15.708 1.00 21.51 H new ATOM 0 HB1 ALA A 96 1.758 17.138 -14.835 1.00 50.44 H new ATOM 0 HB2 ALA A 96 2.740 16.871 -16.295 1.00 50.44 H new ATOM 0 HB3 ALA A 96 3.403 16.474 -14.692 1.00 50.44 H new ATOM 1421 N GLY A 97 4.486 19.273 -13.114 1.00 51.23 N ATOM 1422 CA GLY A 97 4.585 19.722 -11.736 1.00 64.12 C ATOM 1423 C GLY A 97 4.867 21.209 -11.635 1.00 64.21 C ATOM 1424 O GLY A 97 4.263 21.906 -10.818 1.00 64.15 O ATOM 0 H GLY A 97 5.380 19.161 -13.592 1.00 51.23 H new ATOM 0 HA2 GLY A 97 3.656 19.494 -11.214 1.00 64.12 H new ATOM 0 HA3 GLY A 97 5.377 19.169 -11.232 1.00 64.12 H new ATOM 1428 N ASP A 98 5.785 21.692 -12.470 1.00 64.45 N ATOM 1429 CA ASP A 98 6.150 23.107 -12.482 1.00 40.24 C ATOM 1430 C ASP A 98 5.115 23.931 -13.244 1.00 72.42 C ATOM 1431 O ASP A 98 4.930 25.115 -12.968 1.00 34.33 O ATOM 1432 CB ASP A 98 7.529 23.300 -13.121 1.00 73.55 C ATOM 1433 CG ASP A 98 8.652 22.736 -12.273 1.00 23.02 C ATOM 1434 OD1 ASP A 98 9.082 23.426 -11.325 1.00 60.34 O ATOM 1435 OD2 ASP A 98 9.106 21.609 -12.560 1.00 62.31 O1- ATOM 0 H ASP A 98 6.291 21.123 -13.149 1.00 64.45 H new ATOM 0 HA ASP A 98 6.181 23.451 -11.448 1.00 40.24 H new ATOM 0 HB2 ASP A 98 7.542 22.820 -14.099 1.00 73.55 H new ATOM 0 HB3 ASP A 98 7.703 24.363 -13.286 1.00 73.55 H new ATOM 1440 N GLU A 99 4.442 23.292 -14.200 1.00 50.25 N ATOM 1441 CA GLU A 99 3.427 23.961 -15.010 1.00 71.44 C ATOM 1442 C GLU A 99 2.076 23.991 -14.293 1.00 10.12 C ATOM 1443 O GLU A 99 1.237 24.850 -14.568 1.00 3.14 O ATOM 1444 CB GLU A 99 3.294 23.255 -16.363 1.00 22.22 C ATOM 1445 CG GLU A 99 2.366 23.954 -17.347 1.00 23.45 C ATOM 1446 CD GLU A 99 2.794 25.377 -17.651 1.00 43.13 C ATOM 1447 OE1 GLU A 99 3.915 25.564 -18.170 1.00 65.24 O ATOM 1448 OE2 GLU A 99 2.004 26.304 -17.376 1.00 35.21 O1- ATOM 0 H GLU A 99 4.583 22.309 -14.432 1.00 50.25 H new ATOM 0 HA GLU A 99 3.742 24.992 -15.170 1.00 71.44 H new ATOM 0 HB2 GLU A 99 4.283 23.169 -16.813 1.00 22.22 H new ATOM 0 HB3 GLU A 99 2.930 22.241 -16.196 1.00 22.22 H new ATOM 0 HG2 GLU A 99 2.332 23.384 -18.275 1.00 23.45 H new ATOM 0 HG3 GLU A 99 1.354 23.963 -16.941 1.00 23.45 H new ATOM 1455 N PHE A 100 1.875 23.052 -13.368 1.00 20.03 N ATOM 1456 CA PHE A 100 0.627 22.977 -12.612 1.00 64.44 C ATOM 1457 C PHE A 100 0.488 24.172 -11.675 1.00 22.54 C ATOM 1458 O PHE A 100 -0.581 24.777 -11.579 1.00 41.45 O ATOM 1459 CB PHE A 100 0.566 21.678 -11.806 1.00 12.52 C ATOM 1460 CG PHE A 100 -0.769 21.434 -11.157 1.00 21.12 C ATOM 1461 CD1 PHE A 100 -1.807 20.862 -11.874 1.00 14.31 C ATOM 1462 CD2 PHE A 100 -0.986 21.779 -9.831 1.00 41.04 C ATOM 1463 CE1 PHE A 100 -3.036 20.638 -11.283 1.00 1.24 C ATOM 1464 CE2 PHE A 100 -2.213 21.557 -9.235 1.00 62.11 C ATOM 1465 CZ PHE A 100 -3.239 20.986 -9.962 1.00 65.43 C ATOM 0 H PHE A 100 2.559 22.335 -13.125 1.00 20.03 H new ATOM 0 HA PHE A 100 -0.198 22.993 -13.324 1.00 64.44 H new ATOM 0 HB2 PHE A 100 0.799 20.841 -12.464 1.00 12.52 H new ATOM 0 HB3 PHE A 100 1.336 21.702 -11.035 1.00 12.52 H new ATOM 0 HD1 PHE A 100 -1.654 20.588 -12.907 1.00 14.31 H new ATOM 0 HD2 PHE A 100 -0.187 22.226 -9.258 1.00 41.04 H new ATOM 0 HE1 PHE A 100 -3.837 20.191 -11.854 1.00 1.24 H new ATOM 0 HE2 PHE A 100 -2.369 21.830 -8.202 1.00 62.11 H new ATOM 0 HZ PHE A 100 -4.199 20.812 -9.498 1.00 65.43 H new ATOM 1475 N GLU A 101 1.577 24.511 -10.990 1.00 63.54 N ATOM 1476 CA GLU A 101 1.575 25.631 -10.057 1.00 30.42 C ATOM 1477 C GLU A 101 1.894 26.949 -10.765 1.00 53.33 C ATOM 1478 O GLU A 101 1.938 28.007 -10.137 1.00 41.41 O ATOM 1479 CB GLU A 101 2.561 25.372 -8.915 1.00 4.52 C ATOM 1480 CG GLU A 101 3.990 25.120 -9.366 1.00 13.13 C ATOM 1481 CD GLU A 101 4.861 24.587 -8.245 1.00 41.05 C ATOM 1482 OE1 GLU A 101 5.148 25.353 -7.300 1.00 32.01 O ATOM 1483 OE2 GLU A 101 5.256 23.404 -8.311 1.00 62.54 O1- ATOM 0 H GLU A 101 2.471 24.026 -11.064 1.00 63.54 H new ATOM 0 HA GLU A 101 0.573 25.720 -9.638 1.00 30.42 H new ATOM 0 HB2 GLU A 101 2.551 26.229 -8.241 1.00 4.52 H new ATOM 0 HB3 GLU A 101 2.216 24.511 -8.342 1.00 4.52 H new ATOM 0 HG2 GLU A 101 3.988 24.408 -10.192 1.00 13.13 H new ATOM 0 HG3 GLU A 101 4.418 26.048 -9.746 1.00 13.13 H new ATOM 1490 N LEU A 102 2.108 26.877 -12.078 1.00 23.43 N ATOM 1491 CA LEU A 102 2.400 28.064 -12.875 1.00 61.22 C ATOM 1492 C LEU A 102 1.129 28.560 -13.562 1.00 34.41 C ATOM 1493 O LEU A 102 1.092 29.662 -14.109 1.00 44.11 O ATOM 1494 CB LEU A 102 3.477 27.757 -13.920 1.00 62.35 C ATOM 1495 CG LEU A 102 4.001 28.970 -14.693 1.00 14.24 C ATOM 1496 CD1 LEU A 102 5.495 29.137 -14.476 1.00 55.42 C ATOM 1497 CD2 LEU A 102 3.692 28.833 -16.174 1.00 62.43 C ATOM 0 H LEU A 102 2.084 26.008 -12.611 1.00 23.43 H new ATOM 0 HA LEU A 102 2.773 28.844 -12.212 1.00 61.22 H new ATOM 0 HB2 LEU A 102 4.317 27.274 -13.421 1.00 62.35 H new ATOM 0 HB3 LEU A 102 3.074 27.038 -14.633 1.00 62.35 H new ATOM 0 HG LEU A 102 3.497 29.860 -14.316 1.00 14.24 H new ATOM 0 HD11 LEU A 102 5.849 30.004 -15.033 1.00 55.42 H new ATOM 0 HD12 LEU A 102 5.694 29.282 -13.414 1.00 55.42 H new ATOM 0 HD13 LEU A 102 6.015 28.245 -14.824 1.00 55.42 H new ATOM 0 HD21 LEU A 102 4.072 29.704 -16.707 1.00 62.43 H new ATOM 0 HD22 LEU A 102 4.168 27.933 -16.563 1.00 62.43 H new ATOM 0 HD23 LEU A 102 2.614 28.763 -16.316 1.00 62.43 H new ATOM 1509 N ARG A 103 0.089 27.729 -13.527 1.00 62.12 N ATOM 1510 CA ARG A 103 -1.194 28.066 -14.133 1.00 60.12 C ATOM 1511 C ARG A 103 -1.838 29.245 -13.406 1.00 41.31 C ATOM 1512 O ARG A 103 -2.378 30.157 -14.035 1.00 34.42 O ATOM 1513 CB ARG A 103 -2.122 26.844 -14.100 1.00 62.14 C ATOM 1514 CG ARG A 103 -3.449 27.052 -14.816 1.00 32.00 C ATOM 1515 CD ARG A 103 -4.576 27.336 -13.835 1.00 31.41 C ATOM 1516 NE ARG A 103 -5.829 27.650 -14.516 1.00 2.15 N ATOM 1517 CZ ARG A 103 -6.774 28.434 -14.003 1.00 70.25 C ATOM 1518 NH1 ARG A 103 -6.612 28.985 -12.807 1.00 55.11 N1+ ATOM 1519 NH2 ARG A 103 -7.884 28.669 -14.688 1.00 32.41 N ATOM 0 H ARG A 103 0.112 26.812 -13.082 1.00 62.12 H new ATOM 0 HA ARG A 103 -1.028 28.356 -15.170 1.00 60.12 H new ATOM 0 HB2 ARG A 103 -1.606 25.997 -14.552 1.00 62.14 H new ATOM 0 HB3 ARG A 103 -2.319 26.579 -13.061 1.00 62.14 H new ATOM 0 HG2 ARG A 103 -3.359 27.882 -15.517 1.00 32.00 H new ATOM 0 HG3 ARG A 103 -3.690 26.165 -15.401 1.00 32.00 H new ATOM 0 HD2 ARG A 103 -4.722 26.470 -13.190 1.00 31.41 H new ATOM 0 HD3 ARG A 103 -4.295 28.169 -13.191 1.00 31.41 H new ATOM 0 HE ARG A 103 -5.989 27.245 -15.438 1.00 2.15 H new ATOM 0 HH11 ARG A 103 -5.760 28.809 -12.275 1.00 55.11 H new ATOM 0 HH12 ARG A 103 -7.340 29.585 -12.419 1.00 55.11 H new ATOM 0 HH21 ARG A 103 -8.014 28.249 -15.608 1.00 32.41 H new ATOM 0 HH22 ARG A 103 -8.608 29.270 -14.295 1.00 32.41 H new ATOM 1533 N TYR A 104 -1.767 29.221 -12.079 1.00 52.42 N ATOM 1534 CA TYR A 104 -2.337 30.285 -11.261 1.00 13.30 C ATOM 1535 C TYR A 104 -1.246 31.212 -10.727 1.00 63.24 C ATOM 1536 O TYR A 104 -1.516 32.371 -10.408 1.00 72.05 O ATOM 1537 CB TYR A 104 -3.150 29.698 -10.099 1.00 1.53 C ATOM 1538 CG TYR A 104 -2.534 28.466 -9.461 1.00 74.53 C ATOM 1539 CD1 TYR A 104 -1.491 28.573 -8.547 1.00 43.20 C ATOM 1540 CD2 TYR A 104 -3.004 27.194 -9.770 1.00 44.51 C ATOM 1541 CE1 TYR A 104 -0.936 27.451 -7.961 1.00 12.51 C ATOM 1542 CE2 TYR A 104 -2.453 26.068 -9.189 1.00 64.31 C ATOM 1543 CZ TYR A 104 -1.420 26.202 -8.286 1.00 25.55 C ATOM 1544 OH TYR A 104 -0.872 25.082 -7.704 1.00 54.23 O ATOM 0 H TYR A 104 -1.319 28.475 -11.547 1.00 52.42 H new ATOM 0 HA TYR A 104 -3.004 30.871 -11.893 1.00 13.30 H new ATOM 0 HB2 TYR A 104 -3.273 30.465 -9.334 1.00 1.53 H new ATOM 0 HB3 TYR A 104 -4.147 29.445 -10.460 1.00 1.53 H new ATOM 0 HD1 TYR A 104 -1.108 29.550 -8.291 1.00 43.20 H new ATOM 0 HD2 TYR A 104 -3.814 27.085 -10.476 1.00 44.51 H new ATOM 0 HE1 TYR A 104 -0.127 27.552 -7.252 1.00 12.51 H new ATOM 0 HE2 TYR A 104 -2.830 25.088 -9.441 1.00 64.31 H new ATOM 0 HH TYR A 104 -1.328 24.282 -8.040 1.00 54.23 H new ATOM 1554 N ARG A 105 -0.017 30.688 -10.644 1.00 42.41 N ATOM 1555 CA ARG A 105 1.138 31.445 -10.150 1.00 15.40 C ATOM 1556 C ARG A 105 0.901 31.971 -8.735 1.00 65.40 C ATOM 1557 O ARG A 105 0.607 33.153 -8.543 1.00 0.05 O ATOM 1558 CB ARG A 105 1.476 32.598 -11.100 1.00 1.02 C ATOM 1559 CG ARG A 105 2.265 32.163 -12.323 1.00 42.53 C ATOM 1560 CD ARG A 105 1.925 33.012 -13.537 1.00 64.23 C ATOM 1561 NE ARG A 105 0.594 32.715 -14.059 1.00 15.05 N ATOM 1562 CZ ARG A 105 0.113 33.222 -15.191 1.00 3.35 C ATOM 1563 NH1 ARG A 105 0.850 34.052 -15.919 1.00 74.31 N1+ ATOM 1564 NH2 ARG A 105 -1.105 32.897 -15.598 1.00 64.40 N ATOM 0 H ARG A 105 0.204 29.730 -10.917 1.00 42.41 H new ATOM 0 HA ARG A 105 1.987 30.762 -10.113 1.00 15.40 H new ATOM 0 HB2 ARG A 105 0.551 33.074 -11.425 1.00 1.02 H new ATOM 0 HB3 ARG A 105 2.048 33.350 -10.557 1.00 1.02 H new ATOM 0 HG2 ARG A 105 3.332 32.237 -12.114 1.00 42.53 H new ATOM 0 HG3 ARG A 105 2.054 31.116 -12.540 1.00 42.53 H new ATOM 0 HD2 ARG A 105 1.982 34.067 -13.269 1.00 64.23 H new ATOM 0 HD3 ARG A 105 2.667 32.841 -14.317 1.00 64.23 H new ATOM 0 HE ARG A 105 -0.001 32.082 -13.525 1.00 15.05 H new ATOM 0 HH11 ARG A 105 1.789 34.304 -15.611 1.00 74.31 H new ATOM 0 HH12 ARG A 105 0.477 34.438 -16.786 1.00 74.31 H new ATOM 0 HH21 ARG A 105 -1.674 32.258 -15.043 1.00 64.40 H new ATOM 0 HH22 ARG A 105 -1.473 33.286 -16.466 1.00 64.40 H new ATOM 1578 N ARG A 106 1.028 31.069 -7.758 1.00 33.45 N ATOM 1579 CA ARG A 106 0.839 31.394 -6.342 1.00 65.14 C ATOM 1580 C ARG A 106 -0.597 31.832 -6.058 1.00 44.23 C ATOM 1581 O ARG A 106 -0.906 33.025 -6.036 1.00 1.42 O ATOM 1582 CB ARG A 106 1.834 32.474 -5.891 1.00 72.31 C ATOM 1583 CG ARG A 106 2.085 32.489 -4.389 1.00 51.11 C ATOM 1584 CD ARG A 106 1.343 33.627 -3.706 1.00 13.11 C ATOM 1585 NE ARG A 106 1.842 34.934 -4.123 1.00 34.31 N ATOM 1586 CZ ARG A 106 1.161 36.067 -3.979 1.00 13.22 C ATOM 1587 NH1 ARG A 106 -0.046 36.058 -3.429 1.00 71.44 N1+ ATOM 1588 NH2 ARG A 106 1.691 37.213 -4.384 1.00 33.14 N ATOM 0 H ARG A 106 1.265 30.091 -7.927 1.00 33.45 H new ATOM 0 HA ARG A 106 1.031 30.488 -5.767 1.00 65.14 H new ATOM 0 HB2 ARG A 106 2.782 32.320 -6.407 1.00 72.31 H new ATOM 0 HB3 ARG A 106 1.459 33.451 -6.197 1.00 72.31 H new ATOM 0 HG2 ARG A 106 1.770 31.539 -3.958 1.00 51.11 H new ATOM 0 HG3 ARG A 106 3.154 32.586 -4.200 1.00 51.11 H new ATOM 0 HD2 ARG A 106 0.280 33.555 -3.935 1.00 13.11 H new ATOM 0 HD3 ARG A 106 1.444 33.528 -2.625 1.00 13.11 H new ATOM 0 HE ARG A 106 2.767 34.981 -4.550 1.00 34.31 H new ATOM 0 HH11 ARG A 106 -0.456 35.179 -3.114 1.00 71.44 H new ATOM 0 HH12 ARG A 106 -0.564 36.930 -3.321 1.00 71.44 H new ATOM 0 HH21 ARG A 106 2.620 37.225 -4.805 1.00 33.14 H new ATOM 0 HH22 ARG A 106 1.170 38.083 -4.274 1.00 33.14 H new ATOM 1602 N ALA A 107 -1.473 30.853 -5.852 1.00 61.14 N ATOM 1603 CA ALA A 107 -2.875 31.126 -5.557 1.00 3.22 C ATOM 1604 C ALA A 107 -3.100 31.212 -4.053 1.00 74.33 C ATOM 1605 O ALA A 107 -3.964 31.951 -3.583 1.00 23.20 O ATOM 1606 CB ALA A 107 -3.765 30.050 -6.161 1.00 13.05 C ATOM 0 H ALA A 107 -1.235 29.862 -5.884 1.00 61.14 H new ATOM 0 HA ALA A 107 -3.137 32.086 -6.002 1.00 3.22 H new ATOM 0 HB1 ALA A 107 -4.808 30.269 -5.931 1.00 13.05 H new ATOM 0 HB2 ALA A 107 -3.628 30.029 -7.242 1.00 13.05 H new ATOM 0 HB3 ALA A 107 -3.498 29.080 -5.743 1.00 13.05 H new ATOM 1612 N PHE A 108 -2.311 30.446 -3.306 1.00 42.23 N ATOM 1613 CA PHE A 108 -2.410 30.428 -1.854 1.00 73.30 C ATOM 1614 C PHE A 108 -1.395 31.383 -1.237 1.00 1.24 C ATOM 1615 O PHE A 108 -0.218 31.367 -1.594 1.00 50.31 O ATOM 1616 CB PHE A 108 -2.180 29.010 -1.321 1.00 12.43 C ATOM 1617 CG PHE A 108 -3.028 27.966 -1.992 1.00 2.32 C ATOM 1618 CD1 PHE A 108 -2.451 27.017 -2.822 1.00 33.21 C ATOM 1619 CD2 PHE A 108 -4.399 27.934 -1.795 1.00 53.41 C ATOM 1620 CE1 PHE A 108 -3.226 26.056 -3.442 1.00 23.13 C ATOM 1621 CE2 PHE A 108 -5.180 26.976 -2.413 1.00 60.34 C ATOM 1622 CZ PHE A 108 -4.592 26.035 -3.237 1.00 45.21 C ATOM 0 H PHE A 108 -1.594 29.828 -3.686 1.00 42.23 H new ATOM 0 HA PHE A 108 -3.413 30.753 -1.576 1.00 73.30 H new ATOM 0 HB2 PHE A 108 -1.129 28.749 -1.449 1.00 12.43 H new ATOM 0 HB3 PHE A 108 -2.383 28.997 -0.250 1.00 12.43 H new ATOM 0 HD1 PHE A 108 -1.384 27.029 -2.986 1.00 33.21 H new ATOM 0 HD2 PHE A 108 -4.863 28.666 -1.151 1.00 53.41 H new ATOM 0 HE1 PHE A 108 -2.765 25.322 -4.086 1.00 23.13 H new ATOM 0 HE2 PHE A 108 -6.248 26.963 -2.252 1.00 60.34 H new ATOM 0 HZ PHE A 108 -5.200 25.284 -3.720 1.00 45.21 H new ATOM 1632 N SER A 109 -1.862 32.221 -0.317 1.00 33.32 N ATOM 1633 CA SER A 109 -0.996 33.183 0.355 1.00 73.01 C ATOM 1634 C SER A 109 -1.203 33.125 1.865 1.00 62.34 C ATOM 1635 O SER A 109 -0.266 33.322 2.640 1.00 14.24 O ATOM 1636 CB SER A 109 -1.270 34.598 -0.158 1.00 45.41 C ATOM 1637 OG SER A 109 -0.337 35.525 0.373 1.00 51.10 O ATOM 0 H SER A 109 -2.837 32.253 -0.019 1.00 33.32 H new ATOM 0 HA SER A 109 0.039 32.924 0.134 1.00 73.01 H new ATOM 0 HB2 SER A 109 -1.219 34.609 -1.247 1.00 45.41 H new ATOM 0 HB3 SER A 109 -2.281 34.898 0.117 1.00 45.41 H new ATOM 0 HG SER A 109 -0.534 36.421 0.028 1.00 51.10 H new ATOM 1643 N ASP A 110 -2.439 32.845 2.271 1.00 62.34 N ATOM 1644 CA ASP A 110 -2.787 32.755 3.686 1.00 11.32 C ATOM 1645 C ASP A 110 -2.715 31.311 4.178 1.00 55.22 C ATOM 1646 O ASP A 110 -3.098 31.010 5.310 1.00 21.41 O ATOM 1647 CB ASP A 110 -4.192 33.320 3.921 1.00 3.34 C ATOM 1648 CG ASP A 110 -5.256 32.595 3.116 1.00 41.24 C ATOM 1649 OD1 ASP A 110 -5.481 32.978 1.948 1.00 44.25 O ATOM 1650 OD2 ASP A 110 -5.865 31.646 3.654 1.00 1.11 O1- ATOM 0 H ASP A 110 -3.219 32.676 1.636 1.00 62.34 H new ATOM 0 HA ASP A 110 -2.065 33.344 4.251 1.00 11.32 H new ATOM 0 HB2 ASP A 110 -4.434 33.251 4.981 1.00 3.34 H new ATOM 0 HB3 ASP A 110 -4.202 34.378 3.660 1.00 3.34 H new ATOM 1655 N LEU A 111 -2.214 30.423 3.323 1.00 60.21 N ATOM 1656 CA LEU A 111 -2.096 29.010 3.663 1.00 54.45 C ATOM 1657 C LEU A 111 -0.790 28.728 4.408 1.00 1.24 C ATOM 1658 O LEU A 111 -0.554 27.608 4.860 1.00 0.51 O ATOM 1659 CB LEU A 111 -2.181 28.158 2.393 1.00 14.15 C ATOM 1660 CG LEU A 111 -2.613 26.703 2.600 1.00 11.22 C ATOM 1661 CD1 LEU A 111 -4.033 26.635 3.142 1.00 12.31 C ATOM 1662 CD2 LEU A 111 -2.507 25.929 1.295 1.00 51.45 C ATOM 0 H LEU A 111 -1.883 30.659 2.388 1.00 60.21 H new ATOM 0 HA LEU A 111 -2.921 28.747 4.325 1.00 54.45 H new ATOM 0 HB2 LEU A 111 -2.881 28.632 1.705 1.00 14.15 H new ATOM 0 HB3 LEU A 111 -1.205 28.163 1.908 1.00 14.15 H new ATOM 0 HG LEU A 111 -1.945 26.248 3.331 1.00 11.22 H new ATOM 0 HD11 LEU A 111 -4.320 25.593 3.282 1.00 12.31 H new ATOM 0 HD12 LEU A 111 -4.083 27.156 4.098 1.00 12.31 H new ATOM 0 HD13 LEU A 111 -4.715 27.107 2.435 1.00 12.31 H new ATOM 0 HD21 LEU A 111 -2.817 24.897 1.458 1.00 51.45 H new ATOM 0 HD22 LEU A 111 -3.153 26.388 0.546 1.00 51.45 H new ATOM 0 HD23 LEU A 111 -1.475 25.947 0.944 1.00 51.45 H new ATOM 1674 N THR A 112 0.053 29.755 4.534 1.00 23.41 N ATOM 1675 CA THR A 112 1.331 29.627 5.231 1.00 54.11 C ATOM 1676 C THR A 112 1.114 29.561 6.741 1.00 2.10 C ATOM 1677 O THR A 112 1.810 28.835 7.453 1.00 21.10 O ATOM 1678 CB THR A 112 2.267 30.810 4.907 1.00 13.41 C ATOM 1679 OG1 THR A 112 2.321 31.016 3.492 1.00 11.44 O ATOM 1680 CG2 THR A 112 3.671 30.558 5.436 1.00 73.11 C ATOM 0 H THR A 112 -0.129 30.687 4.161 1.00 23.41 H new ATOM 0 HA THR A 112 1.798 28.704 4.887 1.00 54.11 H new ATOM 0 HB THR A 112 1.868 31.700 5.394 1.00 13.41 H new ATOM 0 HG1 THR A 112 3.250 30.950 3.187 1.00 11.44 H new ATOM 0 HG21 THR A 112 4.309 31.408 5.193 1.00 73.11 H new ATOM 0 HG22 THR A 112 3.634 30.429 6.518 1.00 73.11 H new ATOM 0 HG23 THR A 112 4.077 29.657 4.976 1.00 73.11 H new ATOM 1688 N SER A 113 0.136 30.323 7.219 1.00 45.01 N ATOM 1689 CA SER A 113 -0.193 30.353 8.639 1.00 35.51 C ATOM 1690 C SER A 113 -1.248 29.295 8.965 1.00 63.44 C ATOM 1691 O SER A 113 -1.642 29.128 10.121 1.00 21.00 O ATOM 1692 CB SER A 113 -0.698 31.745 9.031 1.00 4.34 C ATOM 1693 OG SER A 113 -0.851 31.861 10.435 1.00 61.04 O ATOM 0 H SER A 113 -0.445 30.930 6.641 1.00 45.01 H new ATOM 0 HA SER A 113 0.707 30.130 9.212 1.00 35.51 H new ATOM 0 HB2 SER A 113 0.002 32.501 8.676 1.00 4.34 H new ATOM 0 HB3 SER A 113 -1.653 31.939 8.542 1.00 4.34 H new ATOM 0 HG SER A 113 -1.147 31.003 10.804 1.00 61.04 H new ATOM 1699 N GLN A 114 -1.695 28.577 7.936 1.00 74.03 N ATOM 1700 CA GLN A 114 -2.704 27.537 8.100 1.00 14.21 C ATOM 1701 C GLN A 114 -2.066 26.204 8.488 1.00 4.52 C ATOM 1702 O GLN A 114 -2.612 25.464 9.307 1.00 44.42 O ATOM 1703 CB GLN A 114 -3.510 27.376 6.810 1.00 22.13 C ATOM 1704 CG GLN A 114 -4.822 26.629 6.997 1.00 52.25 C ATOM 1705 CD GLN A 114 -5.830 27.411 7.818 1.00 3.41 C ATOM 1706 OE1 GLN A 114 -5.855 28.642 7.786 1.00 60.14 O ATOM 1707 NE2 GLN A 114 -6.667 26.699 8.562 1.00 70.03 N ATOM 0 H GLN A 114 -1.371 28.699 6.976 1.00 74.03 H new ATOM 0 HA GLN A 114 -3.373 27.841 8.906 1.00 14.21 H new ATOM 0 HB2 GLN A 114 -3.720 28.363 6.398 1.00 22.13 H new ATOM 0 HB3 GLN A 114 -2.902 26.847 6.076 1.00 22.13 H new ATOM 0 HG2 GLN A 114 -5.251 26.406 6.020 1.00 52.25 H new ATOM 0 HG3 GLN A 114 -4.625 25.674 7.484 1.00 52.25 H new ATOM 0 HE21 GLN A 114 -6.612 25.680 8.559 1.00 70.03 H new ATOM 0 HE22 GLN A 114 -7.366 27.170 9.137 1.00 70.03 H new ATOM 1716 N LEU A 115 -0.907 25.901 7.900 1.00 52.42 N ATOM 1717 CA LEU A 115 -0.208 24.653 8.199 1.00 65.13 C ATOM 1718 C LEU A 115 0.710 24.817 9.411 1.00 44.13 C ATOM 1719 O LEU A 115 1.311 23.846 9.873 1.00 23.02 O ATOM 1720 CB LEU A 115 0.590 24.165 6.982 1.00 55.43 C ATOM 1721 CG LEU A 115 2.002 24.739 6.836 1.00 20.32 C ATOM 1722 CD1 LEU A 115 2.944 23.688 6.273 1.00 34.33 C ATOM 1723 CD2 LEU A 115 1.991 25.969 5.943 1.00 72.14 C ATOM 0 H LEU A 115 -0.437 26.498 7.220 1.00 52.42 H new ATOM 0 HA LEU A 115 -0.959 23.900 8.439 1.00 65.13 H new ATOM 0 HB2 LEU A 115 0.663 23.079 7.031 1.00 55.43 H new ATOM 0 HB3 LEU A 115 0.026 24.406 6.081 1.00 55.43 H new ATOM 0 HG LEU A 115 2.356 25.034 7.824 1.00 20.32 H new ATOM 0 HD11 LEU A 115 3.944 24.111 6.175 1.00 34.33 H new ATOM 0 HD12 LEU A 115 2.977 22.831 6.946 1.00 34.33 H new ATOM 0 HD13 LEU A 115 2.588 23.367 5.294 1.00 34.33 H new ATOM 0 HD21 LEU A 115 3.004 26.362 5.852 1.00 72.14 H new ATOM 0 HD22 LEU A 115 1.617 25.698 4.956 1.00 72.14 H new ATOM 0 HD23 LEU A 115 1.345 26.730 6.380 1.00 72.14 H new ATOM 1735 N HIS A 116 0.806 26.056 9.908 1.00 52.33 N ATOM 1736 CA HIS A 116 1.626 26.388 11.077 1.00 31.20 C ATOM 1737 C HIS A 116 3.107 26.085 10.839 1.00 12.10 C ATOM 1738 O HIS A 116 3.570 24.962 11.049 1.00 23.32 O ATOM 1739 CB HIS A 116 1.115 25.641 12.316 1.00 62.35 C ATOM 1740 CG HIS A 116 1.665 26.154 13.613 1.00 60.42 C ATOM 1741 ND1 HIS A 116 2.010 27.474 13.820 1.00 74.44 N ATOM 1742 CD2 HIS A 116 1.928 25.512 14.776 1.00 14.43 C ATOM 1743 CE1 HIS A 116 2.462 27.620 15.053 1.00 12.45 C ATOM 1744 NE2 HIS A 116 2.421 26.446 15.653 1.00 21.21 N ATOM 0 H HIS A 116 0.316 26.857 9.510 1.00 52.33 H new ATOM 0 HA HIS A 116 1.537 27.461 11.248 1.00 31.20 H new ATOM 0 HB2 HIS A 116 0.027 25.708 12.344 1.00 62.35 H new ATOM 0 HB3 HIS A 116 1.367 24.585 12.220 1.00 62.35 H new ATOM 0 HD2 HIS A 116 1.778 24.461 14.976 1.00 14.43 H new ATOM 0 HE1 HIS A 116 2.806 28.544 15.494 1.00 12.45 H new ATOM 0 HE2 HIS A 116 2.709 26.262 16.614 1.00 21.21 H new ATOM 1753 N ILE A 117 3.845 27.102 10.403 1.00 32.33 N ATOM 1754 CA ILE A 117 5.272 26.956 10.142 1.00 41.30 C ATOM 1755 C ILE A 117 6.076 27.102 11.431 1.00 61.03 C ATOM 1756 O ILE A 117 6.157 28.189 12.005 1.00 53.41 O ATOM 1757 CB ILE A 117 5.764 27.992 9.103 1.00 75.52 C ATOM 1758 CG1 ILE A 117 5.123 27.727 7.738 1.00 63.13 C ATOM 1759 CG2 ILE A 117 7.284 27.972 8.989 1.00 14.04 C ATOM 1760 CD1 ILE A 117 5.433 26.355 7.175 1.00 43.34 C ATOM 0 H ILE A 117 3.477 28.036 10.223 1.00 32.33 H new ATOM 0 HA ILE A 117 5.427 25.957 9.735 1.00 41.30 H new ATOM 0 HB ILE A 117 5.462 28.982 9.444 1.00 75.52 H new ATOM 0 HG12 ILE A 117 4.042 27.838 7.826 1.00 63.13 H new ATOM 0 HG13 ILE A 117 5.465 28.485 7.033 1.00 63.13 H new ATOM 0 HG21 ILE A 117 7.603 28.709 8.252 1.00 14.04 H new ATOM 0 HG22 ILE A 117 7.725 28.212 9.957 1.00 14.04 H new ATOM 0 HG23 ILE A 117 7.612 26.981 8.676 1.00 14.04 H new ATOM 0 HD11 ILE A 117 4.945 26.240 6.207 1.00 43.34 H new ATOM 0 HD12 ILE A 117 6.511 26.247 7.053 1.00 43.34 H new ATOM 0 HD13 ILE A 117 5.066 25.590 7.859 1.00 43.34 H new ATOM 1772 N THR A 118 6.652 25.992 11.884 1.00 10.23 N ATOM 1773 CA THR A 118 7.454 25.980 13.103 1.00 54.04 C ATOM 1774 C THR A 118 8.319 24.721 13.172 1.00 61.11 C ATOM 1775 O THR A 118 7.828 23.609 12.972 1.00 11.44 O ATOM 1776 CB THR A 118 6.574 26.073 14.372 1.00 40.13 C ATOM 1777 OG1 THR A 118 7.381 25.918 15.545 1.00 12.31 O ATOM 1778 CG2 THR A 118 5.475 25.018 14.366 1.00 72.24 C ATOM 0 H THR A 118 6.577 25.085 11.423 1.00 10.23 H new ATOM 0 HA THR A 118 8.098 26.859 13.068 1.00 54.04 H new ATOM 0 HB THR A 118 6.104 27.057 14.378 1.00 40.13 H new ATOM 0 HG1 THR A 118 6.815 25.980 16.342 1.00 12.31 H new ATOM 0 HG21 THR A 118 4.876 25.112 15.272 1.00 72.24 H new ATOM 0 HG22 THR A 118 4.838 25.161 13.493 1.00 72.24 H new ATOM 0 HG23 THR A 118 5.924 24.025 14.329 1.00 72.24 H new ATOM 1786 N PRO A 119 9.626 24.883 13.440 1.00 60.12 N ATOM 1787 CA PRO A 119 10.554 23.752 13.537 1.00 64.33 C ATOM 1788 C PRO A 119 10.290 22.887 14.768 1.00 0.31 C ATOM 1789 O PRO A 119 10.500 23.314 15.904 1.00 72.22 O ATOM 1790 CB PRO A 119 11.926 24.419 13.627 1.00 11.42 C ATOM 1791 CG PRO A 119 11.669 25.792 14.140 1.00 63.35 C ATOM 1792 CD PRO A 119 10.299 26.178 13.656 1.00 63.31 C ATOM 0 HA PRO A 119 10.456 23.072 12.691 1.00 64.33 H new ATOM 0 HB2 PRO A 119 12.587 23.868 14.296 1.00 11.42 H new ATOM 0 HB3 PRO A 119 12.412 24.449 12.652 1.00 11.42 H new ATOM 0 HG2 PRO A 119 11.717 25.815 15.229 1.00 63.35 H new ATOM 0 HG3 PRO A 119 12.421 26.490 13.773 1.00 63.35 H new ATOM 0 HD2 PRO A 119 9.771 26.786 14.391 1.00 63.31 H new ATOM 0 HD3 PRO A 119 10.349 26.762 12.737 1.00 63.31 H new ATOM 1800 N GLY A 120 9.822 21.667 14.525 1.00 43.34 N ATOM 1801 CA GLY A 120 9.521 20.752 15.609 1.00 51.53 C ATOM 1802 C GLY A 120 8.155 20.117 15.453 1.00 21.50 C ATOM 1803 O GLY A 120 8.035 18.893 15.389 1.00 64.55 O ATOM 0 H GLY A 120 9.645 21.295 13.592 1.00 43.34 H new ATOM 0 HA2 GLY A 120 10.281 19.972 15.646 1.00 51.53 H new ATOM 0 HA3 GLY A 120 9.566 21.287 16.558 1.00 51.53 H new ATOM 1807 N THR A 121 7.121 20.953 15.389 1.00 61.11 N ATOM 1808 CA THR A 121 5.753 20.470 15.234 1.00 3.40 C ATOM 1809 C THR A 121 5.076 21.142 14.040 1.00 13.54 C ATOM 1810 O THR A 121 4.195 21.987 14.202 1.00 20.43 O ATOM 1811 CB THR A 121 4.915 20.725 16.506 1.00 51.22 C ATOM 1812 OG1 THR A 121 5.707 20.478 17.675 1.00 40.33 O ATOM 1813 CG2 THR A 121 3.683 19.831 16.534 1.00 3.54 C ATOM 0 H THR A 121 7.206 21.968 15.442 1.00 61.11 H new ATOM 0 HA THR A 121 5.808 19.395 15.063 1.00 3.40 H new ATOM 0 HB THR A 121 4.593 21.766 16.494 1.00 51.22 H new ATOM 0 HG1 THR A 121 5.168 20.644 18.476 1.00 40.33 H new ATOM 0 HG21 THR A 121 3.110 20.030 17.440 1.00 3.54 H new ATOM 0 HG22 THR A 121 3.064 20.037 15.660 1.00 3.54 H new ATOM 0 HG23 THR A 121 3.992 18.786 16.522 1.00 3.54 H new ATOM 1821 N ALA A 122 5.504 20.766 12.838 1.00 51.13 N ATOM 1822 CA ALA A 122 4.945 21.331 11.615 1.00 12.43 C ATOM 1823 C ALA A 122 4.231 20.266 10.789 1.00 31.34 C ATOM 1824 O ALA A 122 3.450 20.588 9.895 1.00 73.24 O ATOM 1825 CB ALA A 122 6.040 21.992 10.792 1.00 23.51 C ATOM 0 H ALA A 122 6.236 20.072 12.685 1.00 51.13 H new ATOM 0 HA ALA A 122 4.210 22.085 11.898 1.00 12.43 H new ATOM 0 HB1 ALA A 122 5.609 22.410 9.882 1.00 23.51 H new ATOM 0 HB2 ALA A 122 6.501 22.790 11.374 1.00 23.51 H new ATOM 0 HB3 ALA A 122 6.795 21.251 10.529 1.00 23.51 H new ATOM 1831 N TYR A 123 4.503 18.998 11.096 1.00 30.15 N ATOM 1832 CA TYR A 123 3.886 17.883 10.382 1.00 4.23 C ATOM 1833 C TYR A 123 2.496 17.575 10.939 1.00 30.11 C ATOM 1834 O TYR A 123 1.669 16.958 10.264 1.00 10.21 O ATOM 1835 CB TYR A 123 4.779 16.640 10.471 1.00 14.22 C ATOM 1836 CG TYR A 123 4.276 15.464 9.660 1.00 12.33 C ATOM 1837 CD1 TYR A 123 4.074 15.575 8.289 1.00 34.24 C ATOM 1838 CD2 TYR A 123 4.001 14.245 10.266 1.00 64.42 C ATOM 1839 CE1 TYR A 123 3.614 14.504 7.547 1.00 14.42 C ATOM 1840 CE2 TYR A 123 3.541 13.169 9.530 1.00 32.40 C ATOM 1841 CZ TYR A 123 3.349 13.304 8.172 1.00 61.00 C ATOM 1842 OH TYR A 123 2.891 12.236 7.436 1.00 63.11 O ATOM 0 H TYR A 123 5.147 18.718 11.835 1.00 30.15 H new ATOM 0 HA TYR A 123 3.776 18.169 9.336 1.00 4.23 H new ATOM 0 HB2 TYR A 123 5.782 16.900 10.132 1.00 14.22 H new ATOM 0 HB3 TYR A 123 4.863 16.339 11.515 1.00 14.22 H new ATOM 0 HD1 TYR A 123 4.280 16.514 7.796 1.00 34.24 H new ATOM 0 HD2 TYR A 123 4.149 14.136 11.330 1.00 64.42 H new ATOM 0 HE1 TYR A 123 3.463 14.606 6.483 1.00 14.42 H new ATOM 0 HE2 TYR A 123 3.333 12.228 10.017 1.00 32.40 H new ATOM 0 HH TYR A 123 2.755 11.466 8.027 1.00 63.11 H new ATOM 1852 N GLN A 124 2.244 18.015 12.170 1.00 40.14 N ATOM 1853 CA GLN A 124 0.956 17.790 12.819 1.00 1.34 C ATOM 1854 C GLN A 124 -0.159 18.545 12.098 1.00 23.13 C ATOM 1855 O GLN A 124 -1.167 17.955 11.711 1.00 72.24 O ATOM 1856 CB GLN A 124 1.020 18.220 14.287 1.00 71.22 C ATOM 1857 CG GLN A 124 -0.250 17.926 15.074 1.00 34.40 C ATOM 1858 CD GLN A 124 -0.523 16.440 15.215 1.00 44.04 C ATOM 1859 OE1 GLN A 124 -0.053 15.798 16.154 1.00 1.04 O ATOM 1860 NE2 GLN A 124 -1.292 15.887 14.283 1.00 21.23 N ATOM 0 H GLN A 124 2.916 18.530 12.738 1.00 40.14 H new ATOM 0 HA GLN A 124 0.733 16.724 12.771 1.00 1.34 H new ATOM 0 HB2 GLN A 124 1.858 17.714 14.767 1.00 71.22 H new ATOM 0 HB3 GLN A 124 1.224 19.290 14.333 1.00 71.22 H new ATOM 0 HG2 GLN A 124 -0.169 18.372 16.065 1.00 34.40 H new ATOM 0 HG3 GLN A 124 -1.097 18.401 14.579 1.00 34.40 H new ATOM 0 HE21 GLN A 124 -1.661 16.457 13.522 1.00 21.23 H new ATOM 0 HE22 GLN A 124 -1.514 14.892 14.329 1.00 21.23 H new ATOM 1869 N SER A 125 0.038 19.848 11.908 1.00 13.11 N ATOM 1870 CA SER A 125 -0.951 20.680 11.229 1.00 63.44 C ATOM 1871 C SER A 125 -0.872 20.494 9.713 1.00 62.04 C ATOM 1872 O SER A 125 -1.770 20.908 8.981 1.00 11.24 O ATOM 1873 CB SER A 125 -0.748 22.151 11.598 1.00 62.23 C ATOM 1874 OG SER A 125 -1.788 22.960 11.076 1.00 20.23 O ATOM 0 H SER A 125 0.872 20.349 12.214 1.00 13.11 H new ATOM 0 HA SER A 125 -1.943 20.369 11.557 1.00 63.44 H new ATOM 0 HB2 SER A 125 -0.713 22.255 12.682 1.00 62.23 H new ATOM 0 HB3 SER A 125 0.212 22.496 11.213 1.00 62.23 H new ATOM 0 HG SER A 125 -2.107 22.578 10.232 1.00 20.23 H new ATOM 1880 N PHE A 126 0.210 19.863 9.254 1.00 55.24 N ATOM 1881 CA PHE A 126 0.412 19.598 7.831 1.00 31.44 C ATOM 1882 C PHE A 126 -0.567 18.528 7.350 1.00 23.35 C ATOM 1883 O PHE A 126 -1.019 18.551 6.204 1.00 64.40 O ATOM 1884 CB PHE A 126 1.857 19.143 7.586 1.00 5.42 C ATOM 1885 CG PHE A 126 2.197 18.899 6.142 1.00 43.23 C ATOM 1886 CD1 PHE A 126 2.220 17.610 5.630 1.00 34.13 C ATOM 1887 CD2 PHE A 126 2.500 19.955 5.299 1.00 21.24 C ATOM 1888 CE1 PHE A 126 2.537 17.381 4.306 1.00 3.43 C ATOM 1889 CE2 PHE A 126 2.818 19.732 3.973 1.00 23.41 C ATOM 1890 CZ PHE A 126 2.836 18.443 3.476 1.00 41.24 C ATOM 0 H PHE A 126 0.964 19.525 9.852 1.00 55.24 H new ATOM 0 HA PHE A 126 0.229 20.514 7.270 1.00 31.44 H new ATOM 0 HB2 PHE A 126 2.535 19.899 7.983 1.00 5.42 H new ATOM 0 HB3 PHE A 126 2.036 18.227 8.148 1.00 5.42 H new ATOM 0 HD1 PHE A 126 1.987 16.776 6.275 1.00 34.13 H new ATOM 0 HD2 PHE A 126 2.488 20.965 5.682 1.00 21.24 H new ATOM 0 HE1 PHE A 126 2.551 16.372 3.920 1.00 3.43 H new ATOM 0 HE2 PHE A 126 3.052 20.564 3.326 1.00 23.41 H new ATOM 0 HZ PHE A 126 3.084 18.266 2.440 1.00 41.24 H new ATOM 1900 N GLU A 127 -0.895 17.600 8.247 1.00 2.20 N ATOM 1901 CA GLU A 127 -1.821 16.517 7.937 1.00 74.21 C ATOM 1902 C GLU A 127 -3.270 17.006 7.997 1.00 13.00 C ATOM 1903 O GLU A 127 -4.181 16.344 7.499 1.00 70.13 O ATOM 1904 CB GLU A 127 -1.611 15.355 8.912 1.00 62.44 C ATOM 1905 CG GLU A 127 -2.236 14.046 8.453 1.00 21.40 C ATOM 1906 CD GLU A 127 -1.862 12.877 9.342 1.00 32.20 C ATOM 1907 OE1 GLU A 127 -0.837 12.220 9.060 1.00 43.30 O ATOM 1908 OE2 GLU A 127 -2.594 12.617 10.320 1.00 50.51 O1- ATOM 0 H GLU A 127 -0.530 17.578 9.199 1.00 2.20 H new ATOM 0 HA GLU A 127 -1.622 16.171 6.923 1.00 74.21 H new ATOM 0 HB2 GLU A 127 -0.541 15.204 9.058 1.00 62.44 H new ATOM 0 HB3 GLU A 127 -2.030 15.626 9.881 1.00 62.44 H new ATOM 0 HG2 GLU A 127 -3.321 14.152 8.436 1.00 21.40 H new ATOM 0 HG3 GLU A 127 -1.920 13.836 7.431 1.00 21.40 H new ATOM 1915 N GLN A 128 -3.476 18.173 8.607 1.00 53.35 N ATOM 1916 CA GLN A 128 -4.810 18.752 8.722 1.00 70.25 C ATOM 1917 C GLN A 128 -5.159 19.575 7.484 1.00 60.34 C ATOM 1918 O GLN A 128 -6.331 19.731 7.147 1.00 75.44 O ATOM 1919 CB GLN A 128 -4.913 19.625 9.976 1.00 10.01 C ATOM 1920 CG GLN A 128 -5.508 18.903 11.178 1.00 62.21 C ATOM 1921 CD GLN A 128 -4.525 17.966 11.855 1.00 34.24 C ATOM 1922 OE1 GLN A 128 -3.813 18.360 12.778 1.00 71.43 O ATOM 1923 NE2 GLN A 128 -4.483 16.718 11.401 1.00 3.22 N ATOM 0 H GLN A 128 -2.735 18.734 9.028 1.00 53.35 H new ATOM 0 HA GLN A 128 -5.523 17.931 8.803 1.00 70.25 H new ATOM 0 HB2 GLN A 128 -3.919 19.989 10.237 1.00 10.01 H new ATOM 0 HB3 GLN A 128 -5.523 20.499 9.750 1.00 10.01 H new ATOM 0 HG2 GLN A 128 -5.856 19.640 11.902 1.00 62.21 H new ATOM 0 HG3 GLN A 128 -6.381 18.335 10.857 1.00 62.21 H new ATOM 0 HE21 GLN A 128 -5.091 16.434 10.633 1.00 3.22 H new ATOM 0 HE22 GLN A 128 -3.842 16.044 11.820 1.00 3.22 H new ATOM 1932 N VAL A 129 -4.134 20.097 6.811 1.00 52.22 N ATOM 1933 CA VAL A 129 -4.335 20.900 5.606 1.00 22.34 C ATOM 1934 C VAL A 129 -4.600 20.003 4.396 1.00 31.31 C ATOM 1935 O VAL A 129 -5.334 20.376 3.481 1.00 12.30 O ATOM 1936 CB VAL A 129 -3.115 21.808 5.323 1.00 11.54 C ATOM 1937 CG1 VAL A 129 -3.338 22.658 4.079 1.00 31.31 C ATOM 1938 CG2 VAL A 129 -2.823 22.694 6.524 1.00 52.41 C ATOM 0 H VAL A 129 -3.157 19.978 7.080 1.00 52.22 H new ATOM 0 HA VAL A 129 -5.205 21.534 5.779 1.00 22.34 H new ATOM 0 HB VAL A 129 -2.253 21.166 5.142 1.00 11.54 H new ATOM 0 HG11 VAL A 129 -2.464 23.286 3.906 1.00 31.31 H new ATOM 0 HG12 VAL A 129 -3.495 22.008 3.218 1.00 31.31 H new ATOM 0 HG13 VAL A 129 -4.215 23.289 4.222 1.00 31.31 H new ATOM 0 HG21 VAL A 129 -1.962 23.327 6.309 1.00 52.41 H new ATOM 0 HG22 VAL A 129 -3.690 23.320 6.733 1.00 52.41 H new ATOM 0 HG23 VAL A 129 -2.607 22.071 7.392 1.00 52.41 H new ATOM 1948 N VAL A 130 -4.007 18.811 4.406 1.00 21.12 N ATOM 1949 CA VAL A 130 -4.186 17.858 3.316 1.00 62.21 C ATOM 1950 C VAL A 130 -5.478 17.051 3.506 1.00 32.14 C ATOM 1951 O VAL A 130 -5.886 16.285 2.632 1.00 22.20 O ATOM 1952 CB VAL A 130 -2.969 16.906 3.206 1.00 32.44 C ATOM 1953 CG1 VAL A 130 -2.910 15.954 4.390 1.00 23.44 C ATOM 1954 CG2 VAL A 130 -2.991 16.137 1.892 1.00 2.30 C ATOM 0 H VAL A 130 -3.399 18.483 5.157 1.00 21.12 H new ATOM 0 HA VAL A 130 -4.263 18.423 2.387 1.00 62.21 H new ATOM 0 HB VAL A 130 -2.067 17.518 3.222 1.00 32.44 H new ATOM 0 HG11 VAL A 130 -2.046 15.298 4.286 1.00 23.44 H new ATOM 0 HG12 VAL A 130 -2.822 16.527 5.313 1.00 23.44 H new ATOM 0 HG13 VAL A 130 -3.820 15.354 4.420 1.00 23.44 H new ATOM 0 HG21 VAL A 130 -2.125 15.477 1.842 1.00 2.30 H new ATOM 0 HG22 VAL A 130 -3.904 15.544 1.833 1.00 2.30 H new ATOM 0 HG23 VAL A 130 -2.960 16.839 1.059 1.00 2.30 H new ATOM 1964 N ASN A 131 -6.126 17.244 4.652 1.00 62.35 N ATOM 1965 CA ASN A 131 -7.368 16.544 4.957 1.00 15.13 C ATOM 1966 C ASN A 131 -8.548 17.515 4.998 1.00 62.24 C ATOM 1967 O ASN A 131 -9.685 17.112 5.248 1.00 44.43 O ATOM 1968 CB ASN A 131 -7.246 15.814 6.296 1.00 1.33 C ATOM 1969 CG ASN A 131 -7.747 14.385 6.223 1.00 43.42 C ATOM 1970 OD1 ASN A 131 -6.983 13.461 5.944 1.00 41.44 O ATOM 1971 ND2 ASN A 131 -9.038 14.197 6.473 1.00 72.21 N ATOM 0 H ASN A 131 -5.810 17.880 5.384 1.00 62.35 H new ATOM 0 HA ASN A 131 -7.550 15.816 4.167 1.00 15.13 H new ATOM 0 HB2 ASN A 131 -6.203 15.815 6.613 1.00 1.33 H new ATOM 0 HB3 ASN A 131 -7.811 16.356 7.055 1.00 1.33 H new ATOM 0 HD21 ASN A 131 -9.433 13.257 6.438 1.00 72.21 H new ATOM 0 HD22 ASN A 131 -9.635 14.993 6.700 1.00 72.21 H new ATOM 1978 N GLU A 132 -8.273 18.793 4.746 1.00 40.21 N ATOM 1979 CA GLU A 132 -9.314 19.817 4.760 1.00 4.42 C ATOM 1980 C GLU A 132 -9.373 20.561 3.427 1.00 0.33 C ATOM 1981 O GLU A 132 -10.450 20.938 2.966 1.00 34.43 O ATOM 1982 CB GLU A 132 -9.068 20.806 5.903 1.00 63.23 C ATOM 1983 CG GLU A 132 -10.226 21.763 6.150 1.00 31.12 C ATOM 1984 CD GLU A 132 -11.504 21.046 6.545 1.00 11.25 C ATOM 1985 OE1 GLU A 132 -11.631 20.667 7.728 1.00 5.51 O ATOM 1986 OE2 GLU A 132 -12.378 20.866 5.670 1.00 42.21 O1- ATOM 0 H GLU A 132 -7.340 19.143 4.530 1.00 40.21 H new ATOM 0 HA GLU A 132 -10.272 19.322 4.916 1.00 4.42 H new ATOM 0 HB2 GLU A 132 -8.870 20.247 6.818 1.00 63.23 H new ATOM 0 HB3 GLU A 132 -8.171 21.385 5.683 1.00 63.23 H new ATOM 0 HG2 GLU A 132 -9.950 22.465 6.937 1.00 31.12 H new ATOM 0 HG3 GLU A 132 -10.407 22.349 5.249 1.00 31.12 H new ATOM 1993 N LEU A 133 -8.210 20.771 2.816 1.00 43.41 N ATOM 1994 CA LEU A 133 -8.134 21.470 1.537 1.00 30.13 C ATOM 1995 C LEU A 133 -7.861 20.490 0.398 1.00 24.24 C ATOM 1996 O LEU A 133 -8.515 20.540 -0.645 1.00 34.34 O ATOM 1997 CB LEU A 133 -7.042 22.543 1.579 1.00 74.13 C ATOM 1998 CG LEU A 133 -6.950 23.429 0.334 1.00 42.24 C ATOM 1999 CD1 LEU A 133 -8.195 24.291 0.190 1.00 34.23 C ATOM 2000 CD2 LEU A 133 -5.705 24.298 0.391 1.00 20.31 C ATOM 0 H LEU A 133 -7.309 20.468 3.185 1.00 43.41 H new ATOM 0 HA LEU A 133 -9.095 21.951 1.356 1.00 30.13 H new ATOM 0 HB2 LEU A 133 -7.214 23.180 2.447 1.00 74.13 H new ATOM 0 HB3 LEU A 133 -6.080 22.054 1.729 1.00 74.13 H new ATOM 0 HG LEU A 133 -6.882 22.782 -0.540 1.00 42.24 H new ATOM 0 HD11 LEU A 133 -8.107 24.912 -0.702 1.00 34.23 H new ATOM 0 HD12 LEU A 133 -9.073 23.651 0.101 1.00 34.23 H new ATOM 0 HD13 LEU A 133 -8.299 24.929 1.068 1.00 34.23 H new ATOM 0 HD21 LEU A 133 -5.655 24.921 -0.502 1.00 20.31 H new ATOM 0 HD22 LEU A 133 -5.745 24.934 1.276 1.00 20.31 H new ATOM 0 HD23 LEU A 133 -4.820 23.663 0.440 1.00 20.31 H new ATOM 2012 N PHE A 134 -6.894 19.599 0.603 1.00 54.13 N ATOM 2013 CA PHE A 134 -6.541 18.607 -0.409 1.00 63.14 C ATOM 2014 C PHE A 134 -7.195 17.262 -0.099 1.00 43.10 C ATOM 2015 O PHE A 134 -6.610 16.204 -0.340 1.00 40.33 O ATOM 2016 CB PHE A 134 -5.020 18.444 -0.492 1.00 74.12 C ATOM 2017 CG PHE A 134 -4.280 19.736 -0.699 1.00 31.43 C ATOM 2018 CD1 PHE A 134 -4.573 20.556 -1.778 1.00 50.23 C ATOM 2019 CD2 PHE A 134 -3.289 20.130 0.186 1.00 34.14 C ATOM 2020 CE1 PHE A 134 -3.892 21.743 -1.970 1.00 42.50 C ATOM 2021 CE2 PHE A 134 -2.605 21.316 0.000 1.00 64.34 C ATOM 2022 CZ PHE A 134 -2.907 22.124 -1.080 1.00 41.30 C ATOM 0 H PHE A 134 -6.342 19.544 1.459 1.00 54.13 H new ATOM 0 HA PHE A 134 -6.911 18.959 -1.372 1.00 63.14 H new ATOM 0 HB2 PHE A 134 -4.664 17.976 0.426 1.00 74.12 H new ATOM 0 HB3 PHE A 134 -4.781 17.765 -1.310 1.00 74.12 H new ATOM 0 HD1 PHE A 134 -5.343 20.263 -2.477 1.00 50.23 H new ATOM 0 HD2 PHE A 134 -3.048 19.502 1.031 1.00 34.14 H new ATOM 0 HE1 PHE A 134 -4.130 22.372 -2.815 1.00 42.50 H new ATOM 0 HE2 PHE A 134 -1.835 21.611 0.698 1.00 64.34 H new ATOM 0 HZ PHE A 134 -2.374 23.051 -1.228 1.00 41.30 H new ATOM 2032 N ARG A 135 -8.418 17.314 0.428 1.00 72.13 N ATOM 2033 CA ARG A 135 -9.165 16.106 0.776 1.00 14.02 C ATOM 2034 C ARG A 135 -9.665 15.383 -0.477 1.00 12.25 C ATOM 2035 O ARG A 135 -10.004 14.200 -0.427 1.00 25.54 O ATOM 2036 CB ARG A 135 -10.345 16.447 1.700 1.00 51.01 C ATOM 2037 CG ARG A 135 -11.526 17.113 1.000 1.00 3.33 C ATOM 2038 CD ARG A 135 -11.320 18.611 0.828 1.00 41.35 C ATOM 2039 NE ARG A 135 -12.449 19.243 0.148 1.00 15.33 N ATOM 2040 CZ ARG A 135 -12.508 20.539 -0.149 1.00 70.32 C ATOM 2041 NH1 ARG A 135 -11.506 21.346 0.171 1.00 54.21 N1+ ATOM 2042 NH2 ARG A 135 -13.571 21.029 -0.773 1.00 54.11 N ATOM 0 H ARG A 135 -8.914 18.184 0.624 1.00 72.13 H new ATOM 0 HA ARG A 135 -8.487 15.437 1.305 1.00 14.02 H new ATOM 0 HB2 ARG A 135 -10.692 15.531 2.178 1.00 51.01 H new ATOM 0 HB3 ARG A 135 -9.990 17.106 2.493 1.00 51.01 H new ATOM 0 HG2 ARG A 135 -11.674 16.653 0.023 1.00 3.33 H new ATOM 0 HG3 ARG A 135 -12.435 16.936 1.576 1.00 3.33 H new ATOM 0 HD2 ARG A 135 -11.181 19.073 1.806 1.00 41.35 H new ATOM 0 HD3 ARG A 135 -10.408 18.789 0.259 1.00 41.35 H new ATOM 0 HE ARG A 135 -13.240 18.655 -0.115 1.00 15.33 H new ATOM 0 HH11 ARG A 135 -10.684 20.974 0.647 1.00 54.21 H new ATOM 0 HH12 ARG A 135 -11.557 22.338 -0.059 1.00 54.21 H new ATOM 0 HH21 ARG A 135 -14.343 20.413 -1.025 1.00 54.11 H new ATOM 0 HH22 ARG A 135 -13.616 22.022 -1.000 1.00 54.11 H new ATOM 2056 N ASP A 136 -9.704 16.102 -1.598 1.00 34.00 N ATOM 2057 CA ASP A 136 -10.154 15.531 -2.862 1.00 23.21 C ATOM 2058 C ASP A 136 -8.964 15.142 -3.738 1.00 12.24 C ATOM 2059 O ASP A 136 -9.058 15.150 -4.966 1.00 13.01 O ATOM 2060 CB ASP A 136 -11.048 16.526 -3.608 1.00 12.15 C ATOM 2061 CG ASP A 136 -12.356 16.787 -2.887 1.00 41.24 C ATOM 2062 OD1 ASP A 136 -12.661 17.969 -2.622 1.00 31.33 O ATOM 2063 OD2 ASP A 136 -13.074 15.811 -2.586 1.00 31.34 O1- ATOM 0 H ASP A 136 -9.428 17.082 -1.654 1.00 34.00 H new ATOM 0 HA ASP A 136 -10.730 14.632 -2.641 1.00 23.21 H new ATOM 0 HB2 ASP A 136 -10.512 17.467 -3.734 1.00 12.15 H new ATOM 0 HB3 ASP A 136 -11.258 16.143 -4.607 1.00 12.15 H new ATOM 2068 N GLY A 137 -7.849 14.789 -3.096 1.00 44.32 N ATOM 2069 CA GLY A 137 -6.653 14.399 -3.826 1.00 35.12 C ATOM 2070 C GLY A 137 -6.631 12.922 -4.175 1.00 75.04 C ATOM 2071 O GLY A 137 -5.569 12.300 -4.204 1.00 42.11 O ATOM 0 H GLY A 137 -7.754 14.767 -2.081 1.00 44.32 H new ATOM 0 HA2 GLY A 137 -6.585 14.985 -4.743 1.00 35.12 H new ATOM 0 HA3 GLY A 137 -5.774 14.639 -3.228 1.00 35.12 H new ATOM 2075 N VAL A 138 -7.809 12.361 -4.443 1.00 35.22 N ATOM 2076 CA VAL A 138 -7.931 10.951 -4.796 1.00 35.12 C ATOM 2077 C VAL A 138 -7.983 10.783 -6.317 1.00 75.24 C ATOM 2078 O VAL A 138 -8.315 9.713 -6.830 1.00 74.33 O ATOM 2079 CB VAL A 138 -9.194 10.315 -4.165 1.00 14.54 C ATOM 2080 CG1 VAL A 138 -9.007 8.816 -3.974 1.00 12.53 C ATOM 2081 CG2 VAL A 138 -9.536 10.983 -2.840 1.00 54.32 C ATOM 0 H VAL A 138 -8.695 12.866 -4.422 1.00 35.22 H new ATOM 0 HA VAL A 138 -7.053 10.439 -4.402 1.00 35.12 H new ATOM 0 HB VAL A 138 -10.026 10.473 -4.851 1.00 14.54 H new ATOM 0 HG11 VAL A 138 -9.907 8.391 -3.529 1.00 12.53 H new ATOM 0 HG12 VAL A 138 -8.823 8.346 -4.940 1.00 12.53 H new ATOM 0 HG13 VAL A 138 -8.157 8.636 -3.315 1.00 12.53 H new ATOM 0 HG21 VAL A 138 -10.427 10.518 -2.417 1.00 54.32 H new ATOM 0 HG22 VAL A 138 -8.702 10.866 -2.148 1.00 54.32 H new ATOM 0 HG23 VAL A 138 -9.724 12.044 -3.005 1.00 54.32 H new ATOM 2091 N ASN A 139 -7.648 11.852 -7.033 1.00 21.43 N ATOM 2092 CA ASN A 139 -7.647 11.829 -8.490 1.00 1.11 C ATOM 2093 C ASN A 139 -6.218 11.900 -9.024 1.00 63.12 C ATOM 2094 O ASN A 139 -5.287 12.234 -8.290 1.00 35.44 O ATOM 2095 CB ASN A 139 -8.478 12.992 -9.039 1.00 32.13 C ATOM 2096 CG ASN A 139 -9.171 12.652 -10.346 1.00 40.14 C ATOM 2097 OD1 ASN A 139 -8.548 13.015 -11.461 1.00 63.25 O flip ATOM 2098 ND2 ASN A 139 -10.259 12.077 -10.352 1.00 74.42 N flip ATOM 0 H ASN A 139 -7.373 12.746 -6.626 1.00 21.43 H new ATOM 0 HA ASN A 139 -8.094 10.892 -8.822 1.00 1.11 H new ATOM 0 HB2 ASN A 139 -9.226 13.279 -8.300 1.00 32.13 H new ATOM 0 HB3 ASN A 139 -7.831 13.856 -9.190 1.00 32.13 H new ATOM 0 HD21 ASN A 139 -10.703 11.816 -9.471 1.00 74.42 H new ATOM 0 HD22 ASN A 139 -10.717 11.862 -11.238 1.00 74.42 H new ATOM 2105 N TRP A 140 -6.059 11.590 -10.306 1.00 54.33 N ATOM 2106 CA TRP A 140 -4.750 11.604 -10.955 1.00 61.13 C ATOM 2107 C TRP A 140 -4.266 13.031 -11.217 1.00 40.24 C ATOM 2108 O TRP A 140 -3.066 13.269 -11.360 1.00 42.12 O ATOM 2109 CB TRP A 140 -4.813 10.829 -12.276 1.00 54.30 C ATOM 2110 CG TRP A 140 -4.803 9.337 -12.107 1.00 12.32 C ATOM 2111 CD1 TRP A 140 -3.755 8.497 -12.352 1.00 2.44 C ATOM 2112 CD2 TRP A 140 -5.886 8.505 -11.664 1.00 0.43 C ATOM 2113 NE1 TRP A 140 -4.116 7.198 -12.089 1.00 60.20 N ATOM 2114 CE2 TRP A 140 -5.418 7.177 -11.663 1.00 11.14 C ATOM 2115 CE3 TRP A 140 -7.204 8.753 -11.265 1.00 43.34 C ATOM 2116 CZ2 TRP A 140 -6.220 6.104 -11.282 1.00 33.21 C ATOM 2117 CZ3 TRP A 140 -7.998 7.686 -10.886 1.00 62.13 C ATOM 2118 CH2 TRP A 140 -7.503 6.376 -10.896 1.00 55.42 C ATOM 0 H TRP A 140 -6.827 11.324 -10.922 1.00 54.33 H new ATOM 0 HA TRP A 140 -4.040 11.126 -10.281 1.00 61.13 H new ATOM 0 HB2 TRP A 140 -5.717 11.118 -12.813 1.00 54.30 H new ATOM 0 HB3 TRP A 140 -3.966 11.120 -12.898 1.00 54.30 H new ATOM 0 HD1 TRP A 140 -2.782 8.809 -12.702 1.00 2.44 H new ATOM 0 HE1 TRP A 140 -3.513 6.382 -12.194 1.00 60.20 H new ATOM 0 HE3 TRP A 140 -7.594 9.760 -11.253 1.00 43.34 H new ATOM 0 HZ2 TRP A 140 -5.842 5.092 -11.291 1.00 33.21 H new ATOM 0 HZ3 TRP A 140 -9.017 7.866 -10.577 1.00 62.13 H new ATOM 0 HH2 TRP A 140 -8.148 5.564 -10.593 1.00 55.42 H new ATOM 2129 N GLY A 141 -5.202 13.977 -11.276 1.00 64.25 N ATOM 2130 CA GLY A 141 -4.841 15.361 -11.529 1.00 31.02 C ATOM 2131 C GLY A 141 -5.081 16.273 -10.338 1.00 22.22 C ATOM 2132 O GLY A 141 -4.783 17.466 -10.399 1.00 14.23 O ATOM 0 H GLY A 141 -6.201 13.809 -11.153 1.00 64.25 H new ATOM 0 HA2 GLY A 141 -3.788 15.409 -11.808 1.00 31.02 H new ATOM 0 HA3 GLY A 141 -5.414 15.729 -12.380 1.00 31.02 H new ATOM 2136 N ARG A 142 -5.617 15.718 -9.253 1.00 73.43 N ATOM 2137 CA ARG A 142 -5.892 16.507 -8.052 1.00 35.51 C ATOM 2138 C ARG A 142 -4.823 16.290 -6.984 1.00 65.42 C ATOM 2139 O ARG A 142 -4.796 16.992 -5.972 1.00 75.45 O ATOM 2140 CB ARG A 142 -7.270 16.163 -7.482 1.00 24.11 C ATOM 2141 CG ARG A 142 -8.400 17.024 -8.032 1.00 21.43 C ATOM 2142 CD ARG A 142 -8.726 16.676 -9.476 1.00 70.43 C ATOM 2143 NE ARG A 142 -9.808 17.502 -10.006 1.00 22.41 N ATOM 2144 CZ ARG A 142 -10.548 17.167 -11.059 1.00 12.10 C ATOM 2145 NH1 ARG A 142 -10.327 16.025 -11.697 1.00 44.31 N1+ ATOM 2146 NH2 ARG A 142 -11.514 17.975 -11.474 1.00 70.32 N ATOM 0 H ARG A 142 -5.868 14.732 -9.179 1.00 73.43 H new ATOM 0 HA ARG A 142 -5.878 17.557 -8.343 1.00 35.51 H new ATOM 0 HB2 ARG A 142 -7.488 15.116 -7.694 1.00 24.11 H new ATOM 0 HB3 ARG A 142 -7.240 16.270 -6.398 1.00 24.11 H new ATOM 0 HG2 ARG A 142 -9.290 16.892 -7.417 1.00 21.43 H new ATOM 0 HG3 ARG A 142 -8.121 18.075 -7.966 1.00 21.43 H new ATOM 0 HD2 ARG A 142 -7.835 16.807 -10.091 1.00 70.43 H new ATOM 0 HD3 ARG A 142 -9.007 15.625 -9.541 1.00 70.43 H new ATOM 0 HE ARG A 142 -10.008 18.388 -9.541 1.00 22.41 H new ATOM 0 HH11 ARG A 142 -9.587 15.399 -11.380 1.00 44.31 H new ATOM 0 HH12 ARG A 142 -10.898 15.773 -12.504 1.00 44.31 H new ATOM 0 HH21 ARG A 142 -11.689 18.853 -10.986 1.00 70.32 H new ATOM 0 HH22 ARG A 142 -12.082 17.718 -12.282 1.00 70.32 H new ATOM 2160 N ILE A 143 -3.944 15.317 -7.212 1.00 31.43 N ATOM 2161 CA ILE A 143 -2.874 15.019 -6.265 1.00 43.20 C ATOM 2162 C ILE A 143 -1.659 15.916 -6.520 1.00 53.11 C ATOM 2163 O ILE A 143 -0.765 16.023 -5.679 1.00 4.22 O ATOM 2164 CB ILE A 143 -2.454 13.531 -6.336 1.00 72.55 C ATOM 2165 CG1 ILE A 143 -1.587 13.161 -5.125 1.00 22.11 C ATOM 2166 CG2 ILE A 143 -1.717 13.241 -7.640 1.00 61.31 C ATOM 2167 CD1 ILE A 143 -1.245 11.689 -5.038 1.00 62.43 C ATOM 0 H ILE A 143 -3.952 14.724 -8.042 1.00 31.43 H new ATOM 0 HA ILE A 143 -3.259 15.218 -5.265 1.00 43.20 H new ATOM 0 HB ILE A 143 -3.354 12.917 -6.313 1.00 72.55 H new ATOM 0 HG12 ILE A 143 -0.662 13.736 -5.164 1.00 22.11 H new ATOM 0 HG13 ILE A 143 -2.108 13.457 -4.214 1.00 22.11 H new ATOM 0 HG21 ILE A 143 -1.430 12.190 -7.670 1.00 61.31 H new ATOM 0 HG22 ILE A 143 -2.370 13.463 -8.484 1.00 61.31 H new ATOM 0 HG23 ILE A 143 -0.823 13.862 -7.699 1.00 61.31 H new ATOM 0 HD11 ILE A 143 -0.631 11.510 -4.156 1.00 62.43 H new ATOM 0 HD12 ILE A 143 -2.163 11.106 -4.966 1.00 62.43 H new ATOM 0 HD13 ILE A 143 -0.695 11.390 -5.930 1.00 62.43 H new ATOM 2179 N VAL A 144 -1.646 16.574 -7.680 1.00 42.22 N ATOM 2180 CA VAL A 144 -0.549 17.463 -8.051 1.00 70.12 C ATOM 2181 C VAL A 144 -0.586 18.748 -7.221 1.00 13.34 C ATOM 2182 O VAL A 144 0.415 19.457 -7.114 1.00 50.21 O ATOM 2183 CB VAL A 144 -0.585 17.822 -9.554 1.00 63.44 C ATOM 2184 CG1 VAL A 144 0.792 18.254 -10.037 1.00 60.24 C ATOM 2185 CG2 VAL A 144 -1.098 16.651 -10.382 1.00 34.33 C ATOM 0 H VAL A 144 -2.386 16.506 -8.379 1.00 42.22 H new ATOM 0 HA VAL A 144 0.377 16.926 -7.847 1.00 70.12 H new ATOM 0 HB VAL A 144 -1.273 18.657 -9.684 1.00 63.44 H new ATOM 0 HG11 VAL A 144 0.744 18.502 -11.097 1.00 60.24 H new ATOM 0 HG12 VAL A 144 1.117 19.129 -9.474 1.00 60.24 H new ATOM 0 HG13 VAL A 144 1.502 17.441 -9.886 1.00 60.24 H new ATOM 0 HG21 VAL A 144 -1.114 16.930 -11.436 1.00 34.33 H new ATOM 0 HG22 VAL A 144 -0.441 15.792 -10.243 1.00 34.33 H new ATOM 0 HG23 VAL A 144 -2.107 16.392 -10.060 1.00 34.33 H new ATOM 2195 N ALA A 145 -1.748 19.036 -6.631 1.00 72.13 N ATOM 2196 CA ALA A 145 -1.917 20.222 -5.796 1.00 54.42 C ATOM 2197 C ALA A 145 -1.195 20.048 -4.462 1.00 14.40 C ATOM 2198 O ALA A 145 -0.772 21.022 -3.839 1.00 71.23 O ATOM 2199 CB ALA A 145 -3.395 20.503 -5.570 1.00 2.45 C ATOM 0 H ALA A 145 -2.586 18.461 -6.718 1.00 72.13 H new ATOM 0 HA ALA A 145 -1.477 21.074 -6.314 1.00 54.42 H new ATOM 0 HB1 ALA A 145 -3.505 21.390 -4.946 1.00 2.45 H new ATOM 0 HB2 ALA A 145 -3.884 20.671 -6.529 1.00 2.45 H new ATOM 0 HB3 ALA A 145 -3.856 19.650 -5.072 1.00 2.45 H new ATOM 2205 N PHE A 146 -1.063 18.792 -4.035 1.00 2.20 N ATOM 2206 CA PHE A 146 -0.380 18.463 -2.789 1.00 62.11 C ATOM 2207 C PHE A 146 1.132 18.595 -2.967 1.00 64.51 C ATOM 2208 O PHE A 146 1.848 18.978 -2.041 1.00 35.24 O ATOM 2209 CB PHE A 146 -0.750 17.038 -2.354 1.00 1.14 C ATOM 2210 CG PHE A 146 0.064 16.511 -1.204 1.00 4.25 C ATOM 2211 CD1 PHE A 146 -0.024 17.091 0.052 1.00 50.41 C ATOM 2212 CD2 PHE A 146 0.914 15.429 -1.380 1.00 20.52 C ATOM 2213 CE1 PHE A 146 0.721 16.604 1.109 1.00 22.33 C ATOM 2214 CE2 PHE A 146 1.661 14.938 -0.327 1.00 10.24 C ATOM 2215 CZ PHE A 146 1.565 15.526 0.919 1.00 73.52 C ATOM 0 H PHE A 146 -1.424 17.982 -4.540 1.00 2.20 H new ATOM 0 HA PHE A 146 -0.696 19.159 -2.012 1.00 62.11 H new ATOM 0 HB2 PHE A 146 -1.804 17.017 -2.077 1.00 1.14 H new ATOM 0 HB3 PHE A 146 -0.631 16.368 -3.206 1.00 1.14 H new ATOM 0 HD1 PHE A 146 -0.682 17.933 0.206 1.00 50.41 H new ATOM 0 HD2 PHE A 146 0.993 14.965 -2.352 1.00 20.52 H new ATOM 0 HE1 PHE A 146 0.644 17.065 2.083 1.00 22.33 H new ATOM 0 HE2 PHE A 146 2.319 14.095 -0.478 1.00 10.24 H new ATOM 0 HZ PHE A 146 2.149 15.144 1.744 1.00 73.52 H new ATOM 2225 N PHE A 147 1.604 18.283 -4.172 1.00 11.32 N ATOM 2226 CA PHE A 147 3.025 18.371 -4.492 1.00 1.21 C ATOM 2227 C PHE A 147 3.446 19.822 -4.709 1.00 32.03 C ATOM 2228 O PHE A 147 4.577 20.201 -4.402 1.00 20.42 O ATOM 2229 CB PHE A 147 3.338 17.540 -5.738 1.00 1.02 C ATOM 2230 CG PHE A 147 3.345 16.059 -5.486 1.00 34.05 C ATOM 2231 CD1 PHE A 147 4.394 15.464 -4.803 1.00 44.02 C ATOM 2232 CD2 PHE A 147 2.303 15.263 -5.931 1.00 43.44 C ATOM 2233 CE1 PHE A 147 4.403 14.103 -4.569 1.00 2.22 C ATOM 2234 CE2 PHE A 147 2.307 13.901 -5.700 1.00 75.23 C ATOM 2235 CZ PHE A 147 3.358 13.320 -5.018 1.00 20.24 C ATOM 0 H PHE A 147 1.019 17.966 -4.945 1.00 11.32 H new ATOM 0 HA PHE A 147 3.590 17.974 -3.648 1.00 1.21 H new ATOM 0 HB2 PHE A 147 2.602 17.766 -6.509 1.00 1.02 H new ATOM 0 HB3 PHE A 147 4.311 17.838 -6.129 1.00 1.02 H new ATOM 0 HD1 PHE A 147 5.214 16.072 -4.450 1.00 44.02 H new ATOM 0 HD2 PHE A 147 1.478 15.712 -6.464 1.00 43.44 H new ATOM 0 HE1 PHE A 147 5.226 13.652 -4.035 1.00 2.22 H new ATOM 0 HE2 PHE A 147 1.489 13.291 -6.053 1.00 75.23 H new ATOM 0 HZ PHE A 147 3.363 12.255 -4.836 1.00 20.24 H new ATOM 2245 N SER A 148 2.524 20.631 -5.233 1.00 44.32 N ATOM 2246 CA SER A 148 2.788 22.046 -5.484 1.00 41.34 C ATOM 2247 C SER A 148 2.830 22.834 -4.177 1.00 63.02 C ATOM 2248 O SER A 148 3.358 23.946 -4.126 1.00 11.15 O ATOM 2249 CB SER A 148 1.716 22.628 -6.408 1.00 15.04 C ATOM 2250 OG SER A 148 1.825 22.096 -7.717 1.00 33.54 O ATOM 0 H SER A 148 1.585 20.328 -5.492 1.00 44.32 H new ATOM 0 HA SER A 148 3.761 22.128 -5.968 1.00 41.34 H new ATOM 0 HB2 SER A 148 0.727 22.410 -6.005 1.00 15.04 H new ATOM 0 HB3 SER A 148 1.813 23.713 -6.444 1.00 15.04 H new ATOM 0 HG SER A 148 1.415 21.206 -7.744 1.00 33.54 H new ATOM 2256 N PHE A 149 2.268 22.244 -3.123 1.00 60.53 N ATOM 2257 CA PHE A 149 2.240 22.869 -1.806 1.00 53.25 C ATOM 2258 C PHE A 149 3.624 22.815 -1.158 1.00 43.24 C ATOM 2259 O PHE A 149 3.998 23.706 -0.393 1.00 32.13 O ATOM 2260 CB PHE A 149 1.202 22.166 -0.923 1.00 71.21 C ATOM 2261 CG PHE A 149 1.036 22.773 0.443 1.00 41.30 C ATOM 2262 CD1 PHE A 149 1.057 21.973 1.574 1.00 34.43 C ATOM 2263 CD2 PHE A 149 0.855 24.139 0.597 1.00 11.54 C ATOM 2264 CE1 PHE A 149 0.901 22.522 2.831 1.00 1.15 C ATOM 2265 CE2 PHE A 149 0.700 24.693 1.853 1.00 32.33 C ATOM 2266 CZ PHE A 149 0.723 23.884 2.971 1.00 71.42 C ATOM 0 H PHE A 149 1.823 21.327 -3.159 1.00 60.53 H new ATOM 0 HA PHE A 149 1.959 23.916 -1.915 1.00 53.25 H new ATOM 0 HB2 PHE A 149 0.239 22.181 -1.433 1.00 71.21 H new ATOM 0 HB3 PHE A 149 1.487 21.120 -0.810 1.00 71.21 H new ATOM 0 HD1 PHE A 149 1.197 20.907 1.471 1.00 34.43 H new ATOM 0 HD2 PHE A 149 0.835 24.777 -0.274 1.00 11.54 H new ATOM 0 HE1 PHE A 149 0.918 21.887 3.704 1.00 1.15 H new ATOM 0 HE2 PHE A 149 0.561 25.759 1.960 1.00 32.33 H new ATOM 0 HZ PHE A 149 0.602 24.316 3.954 1.00 71.42 H new ATOM 2276 N GLY A 150 4.383 21.769 -1.479 1.00 53.35 N ATOM 2277 CA GLY A 150 5.721 21.621 -0.933 1.00 14.43 C ATOM 2278 C GLY A 150 6.745 22.452 -1.684 1.00 20.20 C ATOM 2279 O GLY A 150 7.822 22.741 -1.163 1.00 21.02 O ATOM 0 H GLY A 150 4.094 21.021 -2.109 1.00 53.35 H new ATOM 0 HA2 GLY A 150 5.717 21.915 0.117 1.00 14.43 H new ATOM 0 HA3 GLY A 150 6.012 20.571 -0.969 1.00 14.43 H new ATOM 2283 N GLY A 151 6.402 22.837 -2.913 1.00 22.22 N ATOM 2284 CA GLY A 151 7.299 23.642 -3.723 1.00 54.03 C ATOM 2285 C GLY A 151 7.036 25.128 -3.578 1.00 31.24 C ATOM 2286 O GLY A 151 7.680 25.945 -4.236 1.00 21.32 O ATOM 0 H GLY A 151 5.516 22.604 -3.361 1.00 22.22 H new ATOM 0 HA2 GLY A 151 8.330 23.429 -3.439 1.00 54.03 H new ATOM 0 HA3 GLY A 151 7.192 23.358 -4.770 1.00 54.03 H new ATOM 2290 N ALA A 152 6.085 25.477 -2.714 1.00 51.32 N ATOM 2291 CA ALA A 152 5.735 26.871 -2.478 1.00 32.42 C ATOM 2292 C ALA A 152 6.375 27.387 -1.193 1.00 3.21 C ATOM 2293 O ALA A 152 6.696 28.570 -1.082 1.00 11.44 O ATOM 2294 CB ALA A 152 4.223 27.030 -2.420 1.00 63.13 C ATOM 0 H ALA A 152 5.543 24.809 -2.165 1.00 51.32 H new ATOM 0 HA ALA A 152 6.120 27.465 -3.307 1.00 32.42 H new ATOM 0 HB1 ALA A 152 3.974 28.076 -2.243 1.00 63.13 H new ATOM 0 HB2 ALA A 152 3.787 26.708 -3.366 1.00 63.13 H new ATOM 0 HB3 ALA A 152 3.824 26.420 -1.610 1.00 63.13 H new ATOM 2300 N LEU A 153 6.562 26.488 -0.228 1.00 32.11 N ATOM 2301 CA LEU A 153 7.165 26.843 1.057 1.00 31.34 C ATOM 2302 C LEU A 153 8.690 26.787 0.969 1.00 2.33 C ATOM 2303 O LEU A 153 9.310 25.826 1.430 1.00 22.33 O ATOM 2304 CB LEU A 153 6.673 25.889 2.160 1.00 45.23 C ATOM 2305 CG LEU A 153 5.325 26.237 2.811 1.00 11.41 C ATOM 2306 CD1 LEU A 153 5.400 27.574 3.526 1.00 2.13 C ATOM 2307 CD2 LEU A 153 4.204 26.248 1.782 1.00 42.32 C ATOM 0 H LEU A 153 6.304 25.505 -0.312 1.00 32.11 H new ATOM 0 HA LEU A 153 6.864 27.861 1.305 1.00 31.34 H new ATOM 0 HB2 LEU A 153 6.600 24.887 1.738 1.00 45.23 H new ATOM 0 HB3 LEU A 153 7.431 25.851 2.942 1.00 45.23 H new ATOM 0 HG LEU A 153 5.103 25.463 3.546 1.00 11.41 H new ATOM 0 HD11 LEU A 153 4.434 27.799 3.979 1.00 2.13 H new ATOM 0 HD12 LEU A 153 6.163 27.529 4.303 1.00 2.13 H new ATOM 0 HD13 LEU A 153 5.656 28.355 2.810 1.00 2.13 H new ATOM 0 HD21 LEU A 153 3.263 26.497 2.272 1.00 42.32 H new ATOM 0 HD22 LEU A 153 4.422 26.991 1.015 1.00 42.32 H new ATOM 0 HD23 LEU A 153 4.124 25.264 1.321 1.00 42.32 H new ATOM 2319 N CYS A 154 9.293 27.818 0.374 1.00 22.54 N ATOM 2320 CA CYS A 154 10.747 27.863 0.215 1.00 61.42 C ATOM 2321 C CYS A 154 11.301 29.283 0.349 1.00 64.22 C ATOM 2322 O CYS A 154 12.487 29.463 0.628 1.00 65.43 O ATOM 2323 CB CYS A 154 11.147 27.290 -1.149 1.00 71.15 C ATOM 2324 SG CYS A 154 10.702 25.554 -1.393 1.00 10.33 S ATOM 0 H CYS A 154 8.801 28.628 -0.003 1.00 22.54 H new ATOM 0 HA CYS A 154 11.175 27.259 1.015 1.00 61.42 H new ATOM 0 HB2 CYS A 154 10.677 27.886 -1.931 1.00 71.15 H new ATOM 0 HB3 CYS A 154 12.225 27.396 -1.272 1.00 71.15 H new ATOM 0 HG CYS A 154 10.119 25.101 -0.323 1.00 10.33 H new ATOM 2330 N VAL A 155 10.451 30.289 0.149 1.00 23.04 N ATOM 2331 CA VAL A 155 10.892 31.683 0.238 1.00 44.04 C ATOM 2332 C VAL A 155 10.559 32.311 1.591 1.00 23.14 C ATOM 2333 O VAL A 155 11.229 33.248 2.025 1.00 14.41 O ATOM 2334 CB VAL A 155 10.285 32.551 -0.884 1.00 33.00 C ATOM 2335 CG1 VAL A 155 10.928 32.221 -2.221 1.00 31.42 C ATOM 2336 CG2 VAL A 155 8.776 32.373 -0.956 1.00 51.41 C ATOM 0 H VAL A 155 9.463 30.169 -0.074 1.00 23.04 H new ATOM 0 HA VAL A 155 11.976 31.657 0.122 1.00 44.04 H new ATOM 0 HB VAL A 155 10.490 33.596 -0.651 1.00 33.00 H new ATOM 0 HG11 VAL A 155 10.487 32.843 -3.000 1.00 31.42 H new ATOM 0 HG12 VAL A 155 12.000 32.413 -2.167 1.00 31.42 H new ATOM 0 HG13 VAL A 155 10.759 31.170 -2.457 1.00 31.42 H new ATOM 0 HG21 VAL A 155 8.374 32.996 -1.755 1.00 51.41 H new ATOM 0 HG22 VAL A 155 8.542 31.328 -1.158 1.00 51.41 H new ATOM 0 HG23 VAL A 155 8.329 32.668 -0.006 1.00 51.41 H new ATOM 2346 N GLU A 156 9.526 31.798 2.255 1.00 62.51 N ATOM 2347 CA GLU A 156 9.125 32.319 3.559 1.00 15.51 C ATOM 2348 C GLU A 156 9.930 31.668 4.680 1.00 32.42 C ATOM 2349 O GLU A 156 9.823 32.060 5.843 1.00 14.41 O ATOM 2350 CB GLU A 156 7.624 32.113 3.796 1.00 12.22 C ATOM 2351 CG GLU A 156 7.133 30.710 3.480 1.00 20.13 C ATOM 2352 CD GLU A 156 6.497 30.612 2.107 1.00 71.11 C ATOM 2353 OE1 GLU A 156 5.297 30.933 1.986 1.00 11.52 O ATOM 2354 OE2 GLU A 156 7.198 30.214 1.156 1.00 0.55 O1- ATOM 0 H GLU A 156 8.954 31.026 1.914 1.00 62.51 H new ATOM 0 HA GLU A 156 9.331 33.389 3.563 1.00 15.51 H new ATOM 0 HB2 GLU A 156 7.397 32.340 4.838 1.00 12.22 H new ATOM 0 HB3 GLU A 156 7.069 32.826 3.186 1.00 12.22 H new ATOM 0 HG2 GLU A 156 7.970 30.014 3.540 1.00 20.13 H new ATOM 0 HG3 GLU A 156 6.409 30.404 4.235 1.00 20.13 H new ATOM 2361 N SER A 157 10.738 30.674 4.321 1.00 45.42 N ATOM 2362 CA SER A 157 11.571 29.976 5.291 1.00 1.41 C ATOM 2363 C SER A 157 12.824 30.790 5.601 1.00 64.54 C ATOM 2364 O SER A 157 13.177 30.980 6.763 1.00 24.21 O ATOM 2365 CB SER A 157 11.958 28.590 4.768 1.00 1.31 C ATOM 2366 OG SER A 157 12.619 28.677 3.518 1.00 12.43 O ATOM 0 H SER A 157 10.832 30.335 3.364 1.00 45.42 H new ATOM 0 HA SER A 157 10.998 29.853 6.210 1.00 1.41 H new ATOM 0 HB2 SER A 157 12.606 28.094 5.491 1.00 1.31 H new ATOM 0 HB3 SER A 157 11.064 27.975 4.667 1.00 1.31 H new ATOM 0 HG SER A 157 12.203 28.056 2.884 1.00 12.43 H new ATOM 2372 N VAL A 158 13.482 31.279 4.549 1.00 63.31 N ATOM 2373 CA VAL A 158 14.694 32.077 4.699 1.00 40.11 C ATOM 2374 C VAL A 158 14.355 33.504 5.141 1.00 3.02 C ATOM 2375 O VAL A 158 15.214 34.238 5.632 1.00 52.11 O ATOM 2376 CB VAL A 158 15.509 32.100 3.383 1.00 34.21 C ATOM 2377 CG1 VAL A 158 14.802 32.917 2.310 1.00 14.34 C ATOM 2378 CG2 VAL A 158 16.920 32.620 3.622 1.00 34.44 C ATOM 0 H VAL A 158 13.193 31.134 3.582 1.00 63.31 H new ATOM 0 HA VAL A 158 15.306 31.612 5.472 1.00 40.11 H new ATOM 0 HB VAL A 158 15.585 31.074 3.024 1.00 34.21 H new ATOM 0 HG11 VAL A 158 15.399 32.914 1.398 1.00 14.34 H new ATOM 0 HG12 VAL A 158 13.825 32.480 2.105 1.00 14.34 H new ATOM 0 HG13 VAL A 158 14.676 33.942 2.658 1.00 14.34 H new ATOM 0 HG21 VAL A 158 17.470 32.625 2.681 1.00 34.44 H new ATOM 0 HG22 VAL A 158 16.872 33.634 4.020 1.00 34.44 H new ATOM 0 HG23 VAL A 158 17.430 31.974 4.336 1.00 34.44 H new ATOM 2388 N ASP A 159 13.088 33.880 4.974 1.00 12.13 N ATOM 2389 CA ASP A 159 12.616 35.204 5.362 1.00 21.34 C ATOM 2390 C ASP A 159 12.505 35.302 6.882 1.00 45.21 C ATOM 2391 O ASP A 159 12.633 36.382 7.461 1.00 12.42 O ATOM 2392 CB ASP A 159 11.258 35.485 4.712 1.00 61.11 C ATOM 2393 CG ASP A 159 10.801 36.919 4.899 1.00 53.33 C ATOM 2394 OD1 ASP A 159 9.956 37.163 5.786 1.00 4.41 O ATOM 2395 OD2 ASP A 159 11.286 37.798 4.156 1.00 41.43 O1- ATOM 0 H ASP A 159 12.368 33.281 4.570 1.00 12.13 H new ATOM 0 HA ASP A 159 13.333 35.949 5.018 1.00 21.34 H new ATOM 0 HB2 ASP A 159 11.318 35.264 3.646 1.00 61.11 H new ATOM 0 HB3 ASP A 159 10.512 34.813 5.136 1.00 61.11 H new ATOM 2400 N LYS A 160 12.276 34.157 7.521 1.00 11.13 N ATOM 2401 CA LYS A 160 12.147 34.095 8.972 1.00 64.02 C ATOM 2402 C LYS A 160 13.385 33.460 9.605 1.00 30.45 C ATOM 2403 O LYS A 160 13.355 33.058 10.769 1.00 60.11 O ATOM 2404 CB LYS A 160 10.895 33.302 9.354 1.00 1.33 C ATOM 2405 CG LYS A 160 9.615 33.848 8.740 1.00 4.22 C ATOM 2406 CD LYS A 160 9.331 35.268 9.206 1.00 42.21 C ATOM 2407 CE LYS A 160 8.081 35.829 8.550 1.00 13.43 C ATOM 2408 NZ LYS A 160 7.844 37.248 8.932 1.00 74.41 N1+ ATOM 0 H LYS A 160 12.176 33.256 7.053 1.00 11.13 H new ATOM 0 HA LYS A 160 12.055 35.113 9.351 1.00 64.02 H new ATOM 0 HB2 LYS A 160 11.023 32.265 9.043 1.00 1.33 H new ATOM 0 HB3 LYS A 160 10.795 33.299 10.439 1.00 1.33 H new ATOM 0 HG2 LYS A 160 9.696 33.831 7.653 1.00 4.22 H new ATOM 0 HG3 LYS A 160 8.778 33.203 9.008 1.00 4.22 H new ATOM 0 HD2 LYS A 160 9.211 35.280 10.289 1.00 42.21 H new ATOM 0 HD3 LYS A 160 10.183 35.906 8.973 1.00 42.21 H new ATOM 0 HE2 LYS A 160 8.175 35.755 7.467 1.00 13.43 H new ATOM 0 HE3 LYS A 160 7.219 35.227 8.837 1.00 13.43 H new ATOM 0 HZ1 LYS A 160 6.825 37.454 8.889 1.00 74.41 H new ATOM 0 HZ2 LYS A 160 8.189 37.409 9.900 1.00 74.41 H new ATOM 0 HZ3 LYS A 160 8.351 37.874 8.274 1.00 74.41 H new ATOM 2422 N GLU A 161 14.469 33.385 8.823 1.00 71.31 N ATOM 2423 CA GLU A 161 15.740 32.806 9.274 1.00 20.23 C ATOM 2424 C GLU A 161 15.587 31.327 9.627 1.00 72.33 C ATOM 2425 O GLU A 161 15.579 30.952 10.801 1.00 44.00 O ATOM 2426 CB GLU A 161 16.302 33.584 10.471 1.00 1.23 C ATOM 2427 CG GLU A 161 16.627 35.037 10.157 1.00 54.31 C ATOM 2428 CD GLU A 161 17.119 35.801 11.371 1.00 52.11 C ATOM 2429 OE1 GLU A 161 16.278 36.386 12.084 1.00 22.53 O ATOM 2430 OE2 GLU A 161 18.345 35.814 11.607 1.00 51.41 O1- ATOM 0 H GLU A 161 14.490 33.724 7.861 1.00 71.31 H new ATOM 0 HA GLU A 161 16.445 32.884 8.446 1.00 20.23 H new ATOM 0 HB2 GLU A 161 15.580 33.550 11.287 1.00 1.23 H new ATOM 0 HB3 GLU A 161 17.205 33.087 10.825 1.00 1.23 H new ATOM 0 HG2 GLU A 161 17.387 35.075 9.376 1.00 54.31 H new ATOM 0 HG3 GLU A 161 15.738 35.527 9.760 1.00 54.31 H new ATOM 2437 N MET A 162 15.464 30.495 8.594 1.00 44.15 N ATOM 2438 CA MET A 162 15.310 29.054 8.772 1.00 73.01 C ATOM 2439 C MET A 162 15.555 28.323 7.455 1.00 60.45 C ATOM 2440 O MET A 162 14.757 28.416 6.522 1.00 1.01 O ATOM 2441 CB MET A 162 13.910 28.730 9.304 1.00 1.23 C ATOM 2442 CG MET A 162 13.675 27.249 9.561 1.00 15.50 C ATOM 2443 SD MET A 162 12.205 26.939 10.559 1.00 71.12 S ATOM 2444 CE MET A 162 10.969 27.878 9.664 1.00 73.54 C ATOM 0 H MET A 162 15.468 30.798 7.620 1.00 44.15 H new ATOM 0 HA MET A 162 16.048 28.716 9.499 1.00 73.01 H new ATOM 0 HB2 MET A 162 13.748 29.280 10.231 1.00 1.23 H new ATOM 0 HB3 MET A 162 13.169 29.087 8.589 1.00 1.23 H new ATOM 0 HG2 MET A 162 13.577 26.730 8.607 1.00 15.50 H new ATOM 0 HG3 MET A 162 14.546 26.829 10.065 1.00 15.50 H new ATOM 0 HE1 MET A 162 9.986 27.437 9.831 1.00 73.54 H new ATOM 0 HE2 MET A 162 10.969 28.909 10.017 1.00 73.54 H new ATOM 0 HE3 MET A 162 11.199 27.860 8.599 1.00 73.54 H new ATOM 2454 N GLN A 163 16.666 27.599 7.384 1.00 24.22 N ATOM 2455 CA GLN A 163 17.019 26.856 6.180 1.00 61.45 C ATOM 2456 C GLN A 163 16.798 25.358 6.375 1.00 64.20 C ATOM 2457 O GLN A 163 17.346 24.537 5.637 1.00 74.23 O ATOM 2458 CB GLN A 163 18.478 27.128 5.795 1.00 74.13 C ATOM 2459 CG GLN A 163 18.722 28.531 5.255 1.00 15.51 C ATOM 2460 CD GLN A 163 19.276 29.485 6.300 1.00 30.44 C ATOM 2461 OE1 GLN A 163 19.007 29.349 7.494 1.00 62.41 O ATOM 2462 NE2 GLN A 163 20.055 30.462 5.851 1.00 71.13 N ATOM 0 H GLN A 163 17.338 27.511 8.146 1.00 24.22 H new ATOM 0 HA GLN A 163 16.370 27.194 5.373 1.00 61.45 H new ATOM 0 HB2 GLN A 163 19.110 26.971 6.669 1.00 74.13 H new ATOM 0 HB3 GLN A 163 18.787 26.401 5.044 1.00 74.13 H new ATOM 0 HG2 GLN A 163 19.418 28.475 4.418 1.00 15.51 H new ATOM 0 HG3 GLN A 163 17.786 28.932 4.866 1.00 15.51 H new ATOM 0 HE21 GLN A 163 20.253 30.539 4.853 1.00 71.13 H new ATOM 0 HE22 GLN A 163 20.456 31.136 6.504 1.00 71.13 H new ATOM 2471 N VAL A 164 15.984 25.008 7.368 1.00 72.04 N ATOM 2472 CA VAL A 164 15.689 23.609 7.664 1.00 23.43 C ATOM 2473 C VAL A 164 14.263 23.248 7.242 1.00 40.03 C ATOM 2474 O VAL A 164 13.905 22.072 7.178 1.00 42.33 O ATOM 2475 CB VAL A 164 15.866 23.297 9.170 1.00 13.21 C ATOM 2476 CG1 VAL A 164 16.045 21.802 9.397 1.00 10.33 C ATOM 2477 CG2 VAL A 164 17.043 24.069 9.750 1.00 5.43 C ATOM 0 H VAL A 164 15.517 25.675 7.982 1.00 72.04 H new ATOM 0 HA VAL A 164 16.398 23.009 7.094 1.00 23.43 H new ATOM 0 HB VAL A 164 14.961 23.616 9.686 1.00 13.21 H new ATOM 0 HG11 VAL A 164 16.167 21.608 10.463 1.00 10.33 H new ATOM 0 HG12 VAL A 164 15.167 21.271 9.030 1.00 10.33 H new ATOM 0 HG13 VAL A 164 16.929 21.456 8.861 1.00 10.33 H new ATOM 0 HG21 VAL A 164 17.147 23.833 10.809 1.00 5.43 H new ATOM 0 HG22 VAL A 164 17.956 23.789 9.225 1.00 5.43 H new ATOM 0 HG23 VAL A 164 16.870 25.139 9.632 1.00 5.43 H new ATOM 2487 N LEU A 165 13.456 24.268 6.942 1.00 11.00 N ATOM 2488 CA LEU A 165 12.067 24.055 6.533 1.00 54.21 C ATOM 2489 C LEU A 165 11.984 23.447 5.134 1.00 41.30 C ATOM 2490 O LEU A 165 11.064 22.686 4.837 1.00 30.23 O ATOM 2491 CB LEU A 165 11.288 25.371 6.569 1.00 22.24 C ATOM 2492 CG LEU A 165 9.772 25.228 6.402 1.00 24.21 C ATOM 2493 CD1 LEU A 165 9.138 24.701 7.680 1.00 43.24 C ATOM 2494 CD2 LEU A 165 9.150 26.555 5.999 1.00 5.12 C ATOM 0 H LEU A 165 13.740 25.247 6.975 1.00 11.00 H new ATOM 0 HA LEU A 165 11.623 23.354 7.240 1.00 54.21 H new ATOM 0 HB2 LEU A 165 11.489 25.869 7.517 1.00 22.24 H new ATOM 0 HB3 LEU A 165 11.666 26.022 5.780 1.00 22.24 H new ATOM 0 HG LEU A 165 9.582 24.507 5.607 1.00 24.21 H new ATOM 0 HD11 LEU A 165 8.061 24.607 7.540 1.00 43.24 H new ATOM 0 HD12 LEU A 165 9.559 23.725 7.920 1.00 43.24 H new ATOM 0 HD13 LEU A 165 9.338 25.393 8.498 1.00 43.24 H new ATOM 0 HD21 LEU A 165 8.073 26.432 5.885 1.00 5.12 H new ATOM 0 HD22 LEU A 165 9.351 27.300 6.769 1.00 5.12 H new ATOM 0 HD23 LEU A 165 9.579 26.886 5.053 1.00 5.12 H new ATOM 2506 N VAL A 166 12.945 23.788 4.280 1.00 1.44 N ATOM 2507 CA VAL A 166 12.978 23.267 2.916 1.00 34.13 C ATOM 2508 C VAL A 166 13.554 21.849 2.895 1.00 22.41 C ATOM 2509 O VAL A 166 13.349 21.091 1.946 1.00 71.24 O ATOM 2510 CB VAL A 166 13.809 24.183 1.987 1.00 61.42 C ATOM 2511 CG1 VAL A 166 13.630 23.792 0.527 1.00 52.35 C ATOM 2512 CG2 VAL A 166 13.425 25.640 2.198 1.00 62.24 C ATOM 0 H VAL A 166 13.711 24.422 4.508 1.00 1.44 H new ATOM 0 HA VAL A 166 11.952 23.241 2.548 1.00 34.13 H new ATOM 0 HB VAL A 166 14.861 24.057 2.242 1.00 61.42 H new ATOM 0 HG11 VAL A 166 14.226 24.453 -0.102 1.00 52.35 H new ATOM 0 HG12 VAL A 166 13.957 22.762 0.383 1.00 52.35 H new ATOM 0 HG13 VAL A 166 12.579 23.880 0.253 1.00 52.35 H new ATOM 0 HG21 VAL A 166 14.018 26.272 1.537 1.00 62.24 H new ATOM 0 HG22 VAL A 166 12.367 25.773 1.974 1.00 62.24 H new ATOM 0 HG23 VAL A 166 13.614 25.920 3.234 1.00 62.24 H new ATOM 2522 N SER A 167 14.259 21.495 3.966 1.00 65.41 N ATOM 2523 CA SER A 167 14.864 20.174 4.091 1.00 54.41 C ATOM 2524 C SER A 167 13.859 19.159 4.639 1.00 30.23 C ATOM 2525 O SER A 167 14.067 17.949 4.536 1.00 51.44 O ATOM 2526 CB SER A 167 16.090 20.250 5.007 1.00 60.24 C ATOM 2527 OG SER A 167 16.719 18.987 5.137 1.00 60.50 O ATOM 0 H SER A 167 14.425 22.109 4.763 1.00 65.41 H new ATOM 0 HA SER A 167 15.173 19.842 3.100 1.00 54.41 H new ATOM 0 HB2 SER A 167 16.801 20.972 4.606 1.00 60.24 H new ATOM 0 HB3 SER A 167 15.789 20.611 5.990 1.00 60.24 H new ATOM 0 HG SER A 167 16.621 18.485 4.301 1.00 60.50 H new ATOM 2533 N ARG A 168 12.763 19.657 5.213 1.00 53.43 N ATOM 2534 CA ARG A 168 11.737 18.787 5.782 1.00 2.12 C ATOM 2535 C ARG A 168 10.438 18.830 4.974 1.00 54.24 C ATOM 2536 O ARG A 168 9.606 17.932 5.093 1.00 40.52 O ATOM 2537 CB ARG A 168 11.461 19.173 7.241 1.00 74.33 C ATOM 2538 CG ARG A 168 10.982 20.605 7.417 1.00 13.34 C ATOM 2539 CD ARG A 168 11.078 21.057 8.866 1.00 12.20 C ATOM 2540 NE ARG A 168 10.081 20.412 9.715 1.00 40.14 N ATOM 2541 CZ ARG A 168 10.136 20.404 11.044 1.00 63.01 C ATOM 2542 NH1 ARG A 168 11.138 21.003 11.673 1.00 32.13 N1+ ATOM 2543 NH2 ARG A 168 9.186 19.802 11.746 1.00 4.11 N ATOM 0 H ARG A 168 12.565 20.654 5.295 1.00 53.43 H new ATOM 0 HA ARG A 168 12.117 17.766 5.743 1.00 2.12 H new ATOM 0 HB2 ARG A 168 10.711 18.496 7.650 1.00 74.33 H new ATOM 0 HB3 ARG A 168 12.371 19.030 7.823 1.00 74.33 H new ATOM 0 HG2 ARG A 168 11.578 21.268 6.789 1.00 13.34 H new ATOM 0 HG3 ARG A 168 9.949 20.687 7.078 1.00 13.34 H new ATOM 0 HD2 ARG A 168 12.075 20.836 9.248 1.00 12.20 H new ATOM 0 HD3 ARG A 168 10.950 22.138 8.916 1.00 12.20 H new ATOM 0 HE ARG A 168 9.297 19.940 9.263 1.00 40.14 H new ATOM 0 HH11 ARG A 168 11.869 21.471 11.138 1.00 32.13 H new ATOM 0 HH12 ARG A 168 11.178 20.995 12.692 1.00 32.13 H new ATOM 0 HH21 ARG A 168 8.411 19.344 11.267 1.00 4.11 H new ATOM 0 HH22 ARG A 168 9.230 19.797 12.765 1.00 4.11 H new ATOM 2557 N ILE A 169 10.271 19.865 4.148 1.00 23.34 N ATOM 2558 CA ILE A 169 9.062 20.010 3.333 1.00 34.51 C ATOM 2559 C ILE A 169 9.027 18.981 2.197 1.00 22.24 C ATOM 2560 O ILE A 169 7.956 18.615 1.709 1.00 44.21 O ATOM 2561 CB ILE A 169 8.937 21.444 2.753 1.00 35.12 C ATOM 2562 CG1 ILE A 169 7.518 21.701 2.236 1.00 13.21 C ATOM 2563 CG2 ILE A 169 9.953 21.679 1.643 1.00 24.50 C ATOM 2564 CD1 ILE A 169 6.481 21.827 3.331 1.00 21.34 C ATOM 0 H ILE A 169 10.954 20.612 4.026 1.00 23.34 H new ATOM 0 HA ILE A 169 8.212 19.829 3.991 1.00 34.51 H new ATOM 0 HB ILE A 169 9.145 22.146 3.561 1.00 35.12 H new ATOM 0 HG12 ILE A 169 7.518 22.615 1.642 1.00 13.21 H new ATOM 0 HG13 ILE A 169 7.232 20.888 1.569 1.00 13.21 H new ATOM 0 HG21 ILE A 169 9.841 22.692 1.256 1.00 24.50 H new ATOM 0 HG22 ILE A 169 10.960 21.551 2.039 1.00 24.50 H new ATOM 0 HG23 ILE A 169 9.785 20.963 0.839 1.00 24.50 H new ATOM 0 HD11 ILE A 169 5.502 22.008 2.886 1.00 21.34 H new ATOM 0 HD12 ILE A 169 6.451 20.905 3.911 1.00 21.34 H new ATOM 0 HD13 ILE A 169 6.742 22.659 3.985 1.00 21.34 H new ATOM 2576 N ALA A 170 10.204 18.509 1.792 1.00 32.15 N ATOM 2577 CA ALA A 170 10.310 17.522 0.725 1.00 73.20 C ATOM 2578 C ALA A 170 10.640 16.142 1.289 1.00 4.01 C ATOM 2579 O ALA A 170 10.897 15.198 0.540 1.00 62.31 O ATOM 2580 CB ALA A 170 11.366 17.952 -0.282 1.00 14.01 C ATOM 0 H ALA A 170 11.099 18.796 2.189 1.00 32.15 H new ATOM 0 HA ALA A 170 9.347 17.457 0.219 1.00 73.20 H new ATOM 0 HB1 ALA A 170 11.437 17.208 -1.075 1.00 14.01 H new ATOM 0 HB2 ALA A 170 11.088 18.914 -0.712 1.00 14.01 H new ATOM 0 HB3 ALA A 170 12.330 18.043 0.218 1.00 14.01 H new ATOM 2586 N ALA A 171 10.621 16.033 2.615 1.00 0.42 N ATOM 2587 CA ALA A 171 10.924 14.776 3.287 1.00 51.34 C ATOM 2588 C ALA A 171 9.654 14.057 3.735 1.00 22.10 C ATOM 2589 O ALA A 171 9.535 12.843 3.576 1.00 62.35 O ATOM 2590 CB ALA A 171 11.837 15.025 4.478 1.00 4.32 C ATOM 0 H ALA A 171 10.398 16.803 3.245 1.00 0.42 H new ATOM 0 HA ALA A 171 11.435 14.131 2.572 1.00 51.34 H new ATOM 0 HB1 ALA A 171 12.057 14.079 4.972 1.00 4.32 H new ATOM 0 HB2 ALA A 171 12.767 15.480 4.135 1.00 4.32 H new ATOM 0 HB3 ALA A 171 11.343 15.696 5.181 1.00 4.32 H new ATOM 2596 N TRP A 172 8.703 14.811 4.289 1.00 33.33 N ATOM 2597 CA TRP A 172 7.449 14.226 4.764 1.00 74.00 C ATOM 2598 C TRP A 172 6.408 14.115 3.649 1.00 12.01 C ATOM 2599 O TRP A 172 5.306 13.616 3.873 1.00 42.00 O ATOM 2600 CB TRP A 172 6.882 15.030 5.946 1.00 34.11 C ATOM 2601 CG TRP A 172 6.666 16.497 5.677 1.00 62.31 C ATOM 2602 CD1 TRP A 172 6.227 17.078 4.520 1.00 71.03 C ATOM 2603 CD2 TRP A 172 6.864 17.567 6.608 1.00 55.35 C ATOM 2604 NE1 TRP A 172 6.152 18.440 4.673 1.00 0.01 N ATOM 2605 CE2 TRP A 172 6.537 18.765 5.946 1.00 53.41 C ATOM 2606 CE3 TRP A 172 7.291 17.627 7.937 1.00 72.15 C ATOM 2607 CZ2 TRP A 172 6.622 20.007 6.569 1.00 74.34 C ATOM 2608 CZ3 TRP A 172 7.374 18.860 8.553 1.00 52.31 C ATOM 2609 CH2 TRP A 172 7.041 20.035 7.869 1.00 5.14 C ATOM 0 H TRP A 172 8.776 15.820 4.419 1.00 33.33 H new ATOM 0 HA TRP A 172 7.677 13.216 5.103 1.00 74.00 H new ATOM 0 HB2 TRP A 172 5.931 14.587 6.244 1.00 34.11 H new ATOM 0 HB3 TRP A 172 7.560 14.928 6.793 1.00 34.11 H new ATOM 0 HD1 TRP A 172 5.976 16.543 3.616 1.00 71.03 H new ATOM 0 HE1 TRP A 172 5.857 19.102 3.955 1.00 0.01 H new ATOM 0 HE3 TRP A 172 7.551 16.726 8.472 1.00 72.15 H new ATOM 0 HZ2 TRP A 172 6.366 20.915 6.044 1.00 74.34 H new ATOM 0 HZ3 TRP A 172 7.702 18.919 9.580 1.00 52.31 H new ATOM 0 HH2 TRP A 172 7.117 20.984 8.380 1.00 5.14 H new ATOM 2620 N MET A 173 6.760 14.584 2.454 1.00 11.14 N ATOM 2621 CA MET A 173 5.849 14.528 1.315 1.00 24.41 C ATOM 2622 C MET A 173 5.805 13.119 0.731 1.00 12.32 C ATOM 2623 O MET A 173 4.753 12.647 0.298 1.00 15.53 O ATOM 2624 CB MET A 173 6.276 15.536 0.245 1.00 55.20 C ATOM 2625 CG MET A 173 5.267 15.696 -0.881 1.00 44.41 C ATOM 2626 SD MET A 173 5.204 17.378 -1.527 1.00 75.35 S ATOM 2627 CE MET A 173 4.536 18.257 -0.116 1.00 63.34 C ATOM 0 H MET A 173 7.666 15.005 2.250 1.00 11.14 H new ATOM 0 HA MET A 173 4.848 14.787 1.660 1.00 24.41 H new ATOM 0 HB2 MET A 173 6.438 16.506 0.716 1.00 55.20 H new ATOM 0 HB3 MET A 173 7.231 15.222 -0.177 1.00 55.20 H new ATOM 0 HG2 MET A 173 5.520 15.010 -1.690 1.00 44.41 H new ATOM 0 HG3 MET A 173 4.278 15.413 -0.520 1.00 44.41 H new ATOM 0 HE1 MET A 173 4.016 19.152 -0.458 1.00 63.34 H new ATOM 0 HE2 MET A 173 3.837 17.612 0.417 1.00 63.34 H new ATOM 0 HE3 MET A 173 5.348 18.542 0.553 1.00 63.34 H new ATOM 2637 N ALA A 174 6.956 12.449 0.733 1.00 44.34 N ATOM 2638 CA ALA A 174 7.057 11.091 0.212 1.00 53.00 C ATOM 2639 C ALA A 174 6.753 10.064 1.298 1.00 24.42 C ATOM 2640 O ALA A 174 6.357 8.934 1.004 1.00 44.33 O ATOM 2641 CB ALA A 174 8.442 10.853 -0.365 1.00 53.31 C ATOM 0 H ALA A 174 7.833 12.828 1.091 1.00 44.34 H new ATOM 0 HA ALA A 174 6.318 10.974 -0.581 1.00 53.00 H new ATOM 0 HB1 ALA A 174 8.505 9.836 -0.751 1.00 53.31 H new ATOM 0 HB2 ALA A 174 8.626 11.560 -1.174 1.00 53.31 H new ATOM 0 HB3 ALA A 174 9.190 10.992 0.415 1.00 53.31 H new ATOM 2647 N THR A 175 6.941 10.465 2.554 1.00 55.35 N ATOM 2648 CA THR A 175 6.684 9.587 3.689 1.00 0.41 C ATOM 2649 C THR A 175 5.186 9.484 3.965 1.00 52.20 C ATOM 2650 O THR A 175 4.696 8.435 4.380 1.00 40.55 O ATOM 2651 CB THR A 175 7.409 10.084 4.958 1.00 63.53 C ATOM 2652 OG1 THR A 175 8.803 10.260 4.685 1.00 0.43 O ATOM 2653 CG2 THR A 175 7.241 9.101 6.108 1.00 41.12 C ATOM 0 H THR A 175 7.271 11.396 2.810 1.00 55.35 H new ATOM 0 HA THR A 175 7.070 8.601 3.431 1.00 0.41 H new ATOM 0 HB THR A 175 6.965 11.036 5.248 1.00 63.53 H new ATOM 0 HG1 THR A 175 8.951 11.149 4.299 1.00 0.43 H new ATOM 0 HG21 THR A 175 7.762 9.478 6.988 1.00 41.12 H new ATOM 0 HG22 THR A 175 6.181 8.985 6.336 1.00 41.12 H new ATOM 0 HG23 THR A 175 7.659 8.135 5.825 1.00 41.12 H new ATOM 2661 N TYR A 176 4.464 10.579 3.719 1.00 35.14 N ATOM 2662 CA TYR A 176 3.018 10.619 3.931 1.00 72.13 C ATOM 2663 C TYR A 176 2.297 9.704 2.941 1.00 73.55 C ATOM 2664 O TYR A 176 1.246 9.141 3.252 1.00 41.31 O ATOM 2665 CB TYR A 176 2.502 12.056 3.796 1.00 14.44 C ATOM 2666 CG TYR A 176 1.010 12.196 4.008 1.00 65.24 C ATOM 2667 CD1 TYR A 176 0.167 12.526 2.955 1.00 23.40 C ATOM 2668 CD2 TYR A 176 0.445 11.992 5.261 1.00 52.23 C ATOM 2669 CE1 TYR A 176 -1.196 12.647 3.144 1.00 75.44 C ATOM 2670 CE2 TYR A 176 -0.916 12.113 5.457 1.00 31.02 C ATOM 2671 CZ TYR A 176 -1.732 12.440 4.397 1.00 13.10 C ATOM 2672 OH TYR A 176 -3.089 12.556 4.589 1.00 40.41 O ATOM 0 H TYR A 176 4.860 11.452 3.371 1.00 35.14 H new ATOM 0 HA TYR A 176 2.811 10.262 4.940 1.00 72.13 H new ATOM 0 HB2 TYR A 176 3.022 12.687 4.517 1.00 14.44 H new ATOM 0 HB3 TYR A 176 2.754 12.430 2.804 1.00 14.44 H new ATOM 0 HD1 TYR A 176 0.584 12.691 1.972 1.00 23.40 H new ATOM 0 HD2 TYR A 176 1.081 11.735 6.095 1.00 52.23 H new ATOM 0 HE1 TYR A 176 -1.838 12.902 2.314 1.00 75.44 H new ATOM 0 HE2 TYR A 176 -1.339 11.952 6.438 1.00 31.02 H new ATOM 0 HH TYR A 176 -3.303 12.378 5.529 1.00 40.41 H new ATOM 2682 N LEU A 177 2.873 9.561 1.749 1.00 5.13 N ATOM 2683 CA LEU A 177 2.296 8.713 0.712 1.00 35.34 C ATOM 2684 C LEU A 177 2.403 7.238 1.090 1.00 63.42 C ATOM 2685 O LEU A 177 1.431 6.490 0.993 1.00 33.43 O ATOM 2686 CB LEU A 177 3.004 8.951 -0.626 1.00 70.13 C ATOM 2687 CG LEU A 177 2.901 10.372 -1.186 1.00 13.23 C ATOM 2688 CD1 LEU A 177 3.752 10.509 -2.437 1.00 2.41 C ATOM 2689 CD2 LEU A 177 1.453 10.727 -1.488 1.00 41.03 C ATOM 0 H LEU A 177 3.741 10.023 1.478 1.00 5.13 H new ATOM 0 HA LEU A 177 1.242 8.974 0.615 1.00 35.34 H new ATOM 0 HB2 LEU A 177 4.059 8.702 -0.508 1.00 70.13 H new ATOM 0 HB3 LEU A 177 2.594 8.259 -1.362 1.00 70.13 H new ATOM 0 HG LEU A 177 3.273 11.066 -0.433 1.00 13.23 H new ATOM 0 HD11 LEU A 177 3.669 11.525 -2.824 1.00 2.41 H new ATOM 0 HD12 LEU A 177 4.793 10.297 -2.194 1.00 2.41 H new ATOM 0 HD13 LEU A 177 3.405 9.803 -3.192 1.00 2.41 H new ATOM 0 HD21 LEU A 177 1.402 11.741 -1.885 1.00 41.03 H new ATOM 0 HD22 LEU A 177 1.053 10.029 -2.223 1.00 41.03 H new ATOM 0 HD23 LEU A 177 0.865 10.666 -0.572 1.00 41.03 H new ATOM 2701 N ASN A 178 3.589 6.832 1.539 1.00 13.43 N ATOM 2702 CA ASN A 178 3.836 5.444 1.921 1.00 60.41 C ATOM 2703 C ASN A 178 3.470 5.186 3.387 1.00 24.14 C ATOM 2704 O ASN A 178 3.819 4.147 3.948 1.00 73.02 O ATOM 2705 CB ASN A 178 5.305 5.093 1.670 1.00 2.51 C ATOM 2706 CG ASN A 178 5.505 3.627 1.331 1.00 24.32 C ATOM 2707 OD1 ASN A 178 5.762 2.803 2.208 1.00 42.42 O ATOM 2708 ND2 ASN A 178 5.386 3.295 0.051 1.00 0.14 N ATOM 0 H ASN A 178 4.396 7.447 1.647 1.00 13.43 H new ATOM 0 HA ASN A 178 3.199 4.806 1.308 1.00 60.41 H new ATOM 0 HB2 ASN A 178 5.687 5.706 0.854 1.00 2.51 H new ATOM 0 HB3 ASN A 178 5.890 5.341 2.556 1.00 2.51 H new ATOM 0 HD21 ASN A 178 5.509 2.324 -0.238 1.00 0.14 H new ATOM 0 HD22 ASN A 178 5.172 4.011 -0.644 1.00 0.14 H new ATOM 2715 N ASP A 179 2.761 6.129 4.002 1.00 25.03 N ATOM 2716 CA ASP A 179 2.349 5.987 5.394 1.00 73.14 C ATOM 2717 C ASP A 179 0.998 5.284 5.481 1.00 61.13 C ATOM 2718 O ASP A 179 0.893 4.182 6.020 1.00 73.23 O ATOM 2719 CB ASP A 179 2.271 7.357 6.073 1.00 71.40 C ATOM 2720 CG ASP A 179 2.452 7.271 7.576 1.00 53.21 C ATOM 2721 OD1 ASP A 179 1.450 7.036 8.284 1.00 52.15 O ATOM 2722 OD2 ASP A 179 3.597 7.440 8.045 1.00 32.10 O1- ATOM 0 H ASP A 179 2.461 6.997 3.559 1.00 25.03 H new ATOM 0 HA ASP A 179 3.094 5.382 5.911 1.00 73.14 H new ATOM 0 HB2 ASP A 179 3.037 8.010 5.655 1.00 71.40 H new ATOM 0 HB3 ASP A 179 1.307 7.814 5.852 1.00 71.40 H new ATOM 2727 N HIS A 180 -0.031 5.931 4.941 1.00 63.24 N ATOM 2728 CA HIS A 180 -1.381 5.374 4.949 1.00 62.21 C ATOM 2729 C HIS A 180 -2.178 5.854 3.737 1.00 61.34 C ATOM 2730 O HIS A 180 -3.376 5.590 3.627 1.00 34.15 O ATOM 2731 CB HIS A 180 -2.113 5.749 6.248 1.00 1.12 C ATOM 2732 CG HIS A 180 -2.196 7.227 6.508 1.00 33.40 C ATOM 2733 ND1 HIS A 180 -1.245 7.918 7.229 1.00 4.30 N ATOM 2734 CD2 HIS A 180 -3.127 8.141 6.145 1.00 52.43 C ATOM 2735 CE1 HIS A 180 -1.588 9.192 7.300 1.00 11.21 C ATOM 2736 NE2 HIS A 180 -2.726 9.353 6.650 1.00 50.12 N ATOM 0 H HIS A 180 0.044 6.843 4.491 1.00 63.24 H new ATOM 0 HA HIS A 180 -1.296 4.289 4.896 1.00 62.21 H new ATOM 0 HB2 HIS A 180 -3.123 5.341 6.212 1.00 1.12 H new ATOM 0 HB3 HIS A 180 -1.606 5.272 7.087 1.00 1.12 H new ATOM 0 HD1 HIS A 180 -0.407 7.509 7.643 1.00 4.30 H new ATOM 0 HD2 HIS A 180 -4.019 7.952 5.566 1.00 52.43 H new ATOM 0 HE1 HIS A 180 -1.032 9.969 7.804 1.00 11.21 H new ATOM 2745 N LEU A 181 -1.504 6.554 2.828 1.00 53.34 N ATOM 2746 CA LEU A 181 -2.152 7.075 1.631 1.00 23.13 C ATOM 2747 C LEU A 181 -1.942 6.138 0.438 1.00 50.43 C ATOM 2748 O LEU A 181 -1.815 4.924 0.610 1.00 72.33 O ATOM 2749 CB LEU A 181 -1.619 8.476 1.311 1.00 73.23 C ATOM 2750 CG LEU A 181 -2.653 9.447 0.731 1.00 43.11 C ATOM 2751 CD1 LEU A 181 -3.625 9.899 1.810 1.00 20.25 C ATOM 2752 CD2 LEU A 181 -1.963 10.643 0.094 1.00 55.23 C ATOM 0 H LEU A 181 -0.510 6.773 2.899 1.00 53.34 H new ATOM 0 HA LEU A 181 -3.223 7.139 1.823 1.00 23.13 H new ATOM 0 HB2 LEU A 181 -1.208 8.909 2.223 1.00 73.23 H new ATOM 0 HB3 LEU A 181 -0.795 8.382 0.604 1.00 73.23 H new ATOM 0 HG LEU A 181 -3.219 8.927 -0.042 1.00 43.11 H new ATOM 0 HD11 LEU A 181 -4.352 10.588 1.380 1.00 20.25 H new ATOM 0 HD12 LEU A 181 -4.144 9.032 2.218 1.00 20.25 H new ATOM 0 HD13 LEU A 181 -3.076 10.401 2.607 1.00 20.25 H new ATOM 0 HD21 LEU A 181 -2.713 11.322 -0.312 1.00 55.23 H new ATOM 0 HD22 LEU A 181 -1.371 11.165 0.846 1.00 55.23 H new ATOM 0 HD23 LEU A 181 -1.310 10.301 -0.709 1.00 55.23 H new ATOM 2764 N GLU A 182 -1.910 6.721 -0.766 1.00 1.44 N ATOM 2765 CA GLU A 182 -1.734 5.970 -2.013 1.00 24.31 C ATOM 2766 C GLU A 182 -2.859 4.949 -2.214 1.00 4.44 C ATOM 2767 O GLU A 182 -2.618 3.741 -2.213 1.00 11.01 O ATOM 2768 CB GLU A 182 -0.370 5.270 -2.049 1.00 71.32 C ATOM 2769 CG GLU A 182 0.808 6.229 -2.126 1.00 74.35 C ATOM 2770 CD GLU A 182 2.133 5.520 -2.327 1.00 10.35 C ATOM 2771 OE1 GLU A 182 2.642 4.922 -1.357 1.00 32.40 O ATOM 2772 OE2 GLU A 182 2.666 5.569 -3.455 1.00 75.54 O1- ATOM 0 H GLU A 182 -2.006 7.727 -0.903 1.00 1.44 H new ATOM 0 HA GLU A 182 -1.776 6.688 -2.832 1.00 24.31 H new ATOM 0 HB2 GLU A 182 -0.266 4.651 -1.158 1.00 71.32 H new ATOM 0 HB3 GLU A 182 -0.338 4.600 -2.908 1.00 71.32 H new ATOM 0 HG2 GLU A 182 0.648 6.928 -2.946 1.00 74.35 H new ATOM 0 HG3 GLU A 182 0.852 6.817 -1.209 1.00 74.35 H new ATOM 2779 N PRO A 183 -4.109 5.428 -2.387 1.00 53.10 N ATOM 2780 CA PRO A 183 -5.273 4.563 -2.590 1.00 20.14 C ATOM 2781 C PRO A 183 -5.371 4.053 -4.025 1.00 34.23 C ATOM 2782 O PRO A 183 -5.674 2.884 -4.260 1.00 5.13 O ATOM 2783 CB PRO A 183 -6.469 5.478 -2.269 1.00 72.12 C ATOM 2784 CG PRO A 183 -5.896 6.797 -1.854 1.00 61.43 C ATOM 2785 CD PRO A 183 -4.495 6.844 -2.388 1.00 53.45 C ATOM 0 HA PRO A 183 -5.225 3.670 -1.967 1.00 20.14 H new ATOM 0 HB2 PRO A 183 -7.115 5.592 -3.140 1.00 72.12 H new ATOM 0 HB3 PRO A 183 -7.080 5.053 -1.473 1.00 72.12 H new ATOM 0 HG2 PRO A 183 -6.490 7.620 -2.252 1.00 61.43 H new ATOM 0 HG3 PRO A 183 -5.900 6.897 -0.769 1.00 61.43 H new ATOM 0 HD2 PRO A 183 -4.456 7.275 -3.388 1.00 53.45 H new ATOM 0 HD3 PRO A 183 -3.840 7.444 -1.757 1.00 53.45 H new ATOM 2793 N TRP A 184 -5.114 4.944 -4.978 1.00 1.53 N ATOM 2794 CA TRP A 184 -5.169 4.604 -6.394 1.00 33.41 C ATOM 2795 C TRP A 184 -3.768 4.399 -6.962 1.00 11.53 C ATOM 2796 O TRP A 184 -3.608 3.875 -8.064 1.00 40.15 O ATOM 2797 CB TRP A 184 -5.894 5.707 -7.175 1.00 72.21 C ATOM 2798 CG TRP A 184 -5.347 7.084 -6.922 1.00 2.40 C ATOM 2799 CD1 TRP A 184 -5.756 7.963 -5.961 1.00 43.23 C ATOM 2800 CD2 TRP A 184 -4.292 7.738 -7.639 1.00 32.22 C ATOM 2801 NE1 TRP A 184 -5.023 9.122 -6.038 1.00 51.34 N ATOM 2802 CE2 TRP A 184 -4.119 9.008 -7.059 1.00 11.02 C ATOM 2803 CE3 TRP A 184 -3.477 7.374 -8.714 1.00 24.34 C ATOM 2804 CZ2 TRP A 184 -3.166 9.912 -7.519 1.00 5.52 C ATOM 2805 CZ3 TRP A 184 -2.531 8.273 -9.169 1.00 1.45 C ATOM 2806 CH2 TRP A 184 -2.383 9.529 -8.572 1.00 64.43 C ATOM 0 H TRP A 184 -4.864 5.915 -4.791 1.00 1.53 H new ATOM 0 HA TRP A 184 -5.721 3.670 -6.497 1.00 33.41 H new ATOM 0 HB2 TRP A 184 -5.828 5.489 -8.241 1.00 72.21 H new ATOM 0 HB3 TRP A 184 -6.952 5.691 -6.912 1.00 72.21 H new ATOM 0 HD1 TRP A 184 -6.542 7.775 -5.244 1.00 43.23 H new ATOM 0 HE1 TRP A 184 -5.134 9.935 -5.433 1.00 51.34 H new ATOM 0 HE3 TRP A 184 -3.584 6.406 -9.182 1.00 24.34 H new ATOM 0 HZ2 TRP A 184 -3.049 10.883 -7.060 1.00 5.52 H new ATOM 0 HZ3 TRP A 184 -1.896 8.001 -9.999 1.00 1.45 H new ATOM 0 HH2 TRP A 184 -1.635 10.210 -8.951 1.00 64.43 H new ATOM 2817 N ILE A 185 -2.758 4.820 -6.204 1.00 2.34 N ATOM 2818 CA ILE A 185 -1.371 4.691 -6.633 1.00 1.34 C ATOM 2819 C ILE A 185 -0.874 3.256 -6.473 1.00 24.15 C ATOM 2820 O ILE A 185 -0.361 2.664 -7.422 1.00 41.21 O ATOM 2821 CB ILE A 185 -0.452 5.651 -5.847 1.00 10.52 C ATOM 2822 CG1 ILE A 185 -0.922 7.097 -6.033 1.00 70.51 C ATOM 2823 CG2 ILE A 185 0.994 5.496 -6.299 1.00 44.33 C ATOM 2824 CD1 ILE A 185 -0.248 8.087 -5.108 1.00 3.13 C ATOM 0 H ILE A 185 -2.876 5.254 -5.288 1.00 2.34 H new ATOM 0 HA ILE A 185 -1.335 4.958 -7.689 1.00 1.34 H new ATOM 0 HB ILE A 185 -0.506 5.399 -4.788 1.00 10.52 H new ATOM 0 HG12 ILE A 185 -0.740 7.397 -7.065 1.00 70.51 H new ATOM 0 HG13 ILE A 185 -1.999 7.141 -5.873 1.00 70.51 H new ATOM 0 HG21 ILE A 185 1.627 6.180 -5.734 1.00 44.33 H new ATOM 0 HG22 ILE A 185 1.322 4.471 -6.125 1.00 44.33 H new ATOM 0 HG23 ILE A 185 1.070 5.725 -7.362 1.00 44.33 H new ATOM 0 HD11 ILE A 185 -0.635 9.087 -5.302 1.00 3.13 H new ATOM 0 HD12 ILE A 185 -0.451 7.814 -4.072 1.00 3.13 H new ATOM 0 HD13 ILE A 185 0.828 8.074 -5.283 1.00 3.13 H new ATOM 2836 N GLN A 186 -1.041 2.696 -5.275 1.00 53.43 N ATOM 2837 CA GLN A 186 -0.611 1.325 -5.002 1.00 34.11 C ATOM 2838 C GLN A 186 -1.566 0.311 -5.631 1.00 73.11 C ATOM 2839 O GLN A 186 -1.228 -0.865 -5.777 1.00 14.34 O ATOM 2840 CB GLN A 186 -0.514 1.081 -3.494 1.00 1.23 C ATOM 2841 CG GLN A 186 0.706 1.719 -2.848 1.00 30.32 C ATOM 2842 CD GLN A 186 0.828 1.387 -1.372 1.00 25.25 C ATOM 2843 OE1 GLN A 186 0.404 0.321 -0.925 1.00 13.33 O ATOM 2844 NE2 GLN A 186 1.411 2.301 -0.606 1.00 63.31 N ATOM 0 H GLN A 186 -1.470 3.169 -4.480 1.00 53.43 H new ATOM 0 HA GLN A 186 0.375 1.193 -5.448 1.00 34.11 H new ATOM 0 HB2 GLN A 186 -1.413 1.468 -3.014 1.00 1.23 H new ATOM 0 HB3 GLN A 186 -0.492 0.007 -3.309 1.00 1.23 H new ATOM 0 HG2 GLN A 186 1.604 1.384 -3.367 1.00 30.32 H new ATOM 0 HG3 GLN A 186 0.653 2.801 -2.970 1.00 30.32 H new ATOM 0 HE21 GLN A 186 1.748 3.171 -1.017 1.00 63.31 H new ATOM 0 HE22 GLN A 186 1.522 2.133 0.394 1.00 63.31 H new ATOM 2853 N GLU A 187 -2.758 0.774 -5.999 1.00 43.33 N ATOM 2854 CA GLU A 187 -3.763 -0.084 -6.617 1.00 30.12 C ATOM 2855 C GLU A 187 -3.503 -0.230 -8.116 1.00 61.14 C ATOM 2856 O GLU A 187 -3.751 -1.287 -8.700 1.00 33.41 O ATOM 2857 CB GLU A 187 -5.160 0.494 -6.382 1.00 71.25 C ATOM 2858 CG GLU A 187 -6.289 -0.442 -6.785 1.00 62.51 C ATOM 2859 CD GLU A 187 -7.658 0.181 -6.591 1.00 70.11 C ATOM 2860 OE1 GLU A 187 -8.231 0.025 -5.492 1.00 35.40 O ATOM 2861 OE2 GLU A 187 -8.156 0.826 -7.537 1.00 42.34 O1- ATOM 0 H GLU A 187 -3.052 1.743 -5.879 1.00 43.33 H new ATOM 0 HA GLU A 187 -3.702 -1.071 -6.159 1.00 30.12 H new ATOM 0 HB2 GLU A 187 -5.267 0.743 -5.326 1.00 71.25 H new ATOM 0 HB3 GLU A 187 -5.256 1.425 -6.940 1.00 71.25 H new ATOM 0 HG2 GLU A 187 -6.167 -0.724 -7.831 1.00 62.51 H new ATOM 0 HG3 GLU A 187 -6.224 -1.358 -6.198 1.00 62.51 H new ATOM 2868 N ASN A 188 -2.999 0.838 -8.730 1.00 64.33 N ATOM 2869 CA ASN A 188 -2.704 0.841 -10.159 1.00 0.22 C ATOM 2870 C ASN A 188 -1.365 0.157 -10.439 1.00 20.40 C ATOM 2871 O ASN A 188 -1.290 -0.770 -11.245 1.00 51.34 O ATOM 2872 CB ASN A 188 -2.685 2.279 -10.686 1.00 45.15 C ATOM 2873 CG ASN A 188 -3.019 2.373 -12.165 1.00 2.31 C ATOM 2874 OD1 ASN A 188 -2.733 1.463 -12.942 1.00 43.24 O ATOM 2875 ND2 ASN A 188 -3.631 3.484 -12.560 1.00 12.32 N ATOM 0 H ASN A 188 -2.786 1.716 -8.257 1.00 64.33 H new ATOM 0 HA ASN A 188 -3.486 0.283 -10.674 1.00 0.22 H new ATOM 0 HB2 ASN A 188 -3.398 2.877 -10.119 1.00 45.15 H new ATOM 0 HB3 ASN A 188 -1.699 2.710 -10.514 1.00 45.15 H new ATOM 0 HD21 ASN A 188 -3.882 3.607 -13.541 1.00 12.32 H new ATOM 0 HD22 ASN A 188 -3.850 4.214 -11.882 1.00 12.32 H new ATOM 2882 N GLY A 189 -0.313 0.620 -9.766 1.00 64.31 N ATOM 2883 CA GLY A 189 1.005 0.039 -9.955 1.00 21.13 C ATOM 2884 C GLY A 189 2.122 1.044 -9.751 1.00 55.40 C ATOM 2885 O GLY A 189 2.962 1.234 -10.632 1.00 3.12 O ATOM 0 H GLY A 189 -0.351 1.386 -9.094 1.00 64.31 H new ATOM 0 HA2 GLY A 189 1.136 -0.790 -9.259 1.00 21.13 H new ATOM 0 HA3 GLY A 189 1.074 -0.376 -10.961 1.00 21.13 H new ATOM 2889 N GLY A 190 2.131 1.687 -8.584 1.00 71.53 N ATOM 2890 CA GLY A 190 3.154 2.674 -8.279 1.00 43.35 C ATOM 2891 C GLY A 190 2.974 3.962 -9.060 1.00 55.20 C ATOM 2892 O GLY A 190 1.856 4.319 -9.435 1.00 70.51 O ATOM 0 H GLY A 190 1.446 1.541 -7.843 1.00 71.53 H new ATOM 0 HA2 GLY A 190 3.134 2.895 -7.212 1.00 43.35 H new ATOM 0 HA3 GLY A 190 4.136 2.254 -8.499 1.00 43.35 H new ATOM 2896 N TRP A 191 4.077 4.663 -9.301 1.00 31.40 N ATOM 2897 CA TRP A 191 4.041 5.915 -10.049 1.00 3.01 C ATOM 2898 C TRP A 191 4.561 5.717 -11.470 1.00 65.13 C ATOM 2899 O TRP A 191 4.618 6.663 -12.256 1.00 43.01 O ATOM 2900 CB TRP A 191 4.864 6.990 -9.337 1.00 35.44 C ATOM 2901 CG TRP A 191 4.096 7.731 -8.286 1.00 11.12 C ATOM 2902 CD1 TRP A 191 3.955 7.383 -6.975 1.00 63.50 C ATOM 2903 CD2 TRP A 191 3.361 8.949 -8.460 1.00 32.32 C ATOM 2904 NE1 TRP A 191 3.180 8.310 -6.321 1.00 10.42 N ATOM 2905 CE2 TRP A 191 2.802 9.280 -7.211 1.00 53.30 C ATOM 2906 CE3 TRP A 191 3.122 9.791 -9.549 1.00 23.32 C ATOM 2907 CZ2 TRP A 191 2.019 10.416 -7.024 1.00 22.20 C ATOM 2908 CZ3 TRP A 191 2.344 10.919 -9.361 1.00 32.41 C ATOM 2909 CH2 TRP A 191 1.802 11.222 -8.107 1.00 4.25 C ATOM 0 H TRP A 191 5.008 4.385 -8.989 1.00 31.40 H new ATOM 0 HA TRP A 191 3.003 6.243 -10.103 1.00 3.01 H new ATOM 0 HB2 TRP A 191 5.736 6.524 -8.878 1.00 35.44 H new ATOM 0 HB3 TRP A 191 5.234 7.702 -10.075 1.00 35.44 H new ATOM 0 HD1 TRP A 191 4.389 6.506 -6.517 1.00 63.50 H new ATOM 0 HE1 TRP A 191 2.927 8.281 -5.333 1.00 10.42 H new ATOM 0 HE3 TRP A 191 3.537 9.565 -10.520 1.00 23.32 H new ATOM 0 HZ2 TRP A 191 1.598 10.652 -6.058 1.00 22.20 H new ATOM 0 HZ3 TRP A 191 2.152 11.577 -10.196 1.00 32.41 H new ATOM 0 HH2 TRP A 191 1.200 12.111 -7.992 1.00 4.25 H new ATOM 2920 N ASP A 192 4.936 4.480 -11.793 1.00 41.32 N ATOM 2921 CA ASP A 192 5.447 4.150 -13.120 1.00 2.15 C ATOM 2922 C ASP A 192 4.315 4.151 -14.148 1.00 61.14 C ATOM 2923 O ASP A 192 4.536 4.415 -15.330 1.00 53.44 O ATOM 2924 CB ASP A 192 6.140 2.785 -13.096 1.00 51.33 C ATOM 2925 CG ASP A 192 7.019 2.556 -14.310 1.00 31.41 C ATOM 2926 OD1 ASP A 192 6.562 1.883 -15.257 1.00 40.54 O ATOM 2927 OD2 ASP A 192 8.166 3.052 -14.313 1.00 63.14 O1- ATOM 0 H ASP A 192 4.895 3.689 -11.151 1.00 41.32 H new ATOM 0 HA ASP A 192 6.175 4.909 -13.408 1.00 2.15 H new ATOM 0 HB2 ASP A 192 6.746 2.705 -12.193 1.00 51.33 H new ATOM 0 HB3 ASP A 192 5.386 2.000 -13.045 1.00 51.33 H new ATOM 2932 N THR A 193 3.102 3.860 -13.681 1.00 42.11 N ATOM 2933 CA THR A 193 1.924 3.839 -14.544 1.00 71.11 C ATOM 2934 C THR A 193 1.447 5.261 -14.847 1.00 34.14 C ATOM 2935 O THR A 193 0.705 5.492 -15.803 1.00 21.35 O ATOM 2936 CB THR A 193 0.775 3.031 -13.901 1.00 72.23 C ATOM 2937 OG1 THR A 193 -0.388 3.064 -14.737 1.00 64.13 O ATOM 2938 CG2 THR A 193 0.428 3.573 -12.521 1.00 41.42 C ATOM 0 H THR A 193 2.910 3.635 -12.705 1.00 42.11 H new ATOM 0 HA THR A 193 2.211 3.354 -15.477 1.00 71.11 H new ATOM 0 HB THR A 193 1.113 2.000 -13.794 1.00 72.23 H new ATOM 0 HG1 THR A 193 -1.107 2.547 -14.318 1.00 64.13 H new ATOM 0 HG21 THR A 193 -0.384 2.985 -12.093 1.00 41.42 H new ATOM 0 HG22 THR A 193 1.303 3.509 -11.874 1.00 41.42 H new ATOM 0 HG23 THR A 193 0.116 4.614 -12.607 1.00 41.42 H new ATOM 2946 N PHE A 194 1.892 6.210 -14.023 1.00 63.35 N ATOM 2947 CA PHE A 194 1.536 7.617 -14.187 1.00 21.42 C ATOM 2948 C PHE A 194 2.337 8.239 -15.332 1.00 74.44 C ATOM 2949 O PHE A 194 1.954 9.268 -15.888 1.00 44.25 O ATOM 2950 CB PHE A 194 1.807 8.369 -12.878 1.00 54.02 C ATOM 2951 CG PHE A 194 1.251 9.766 -12.836 1.00 70.10 C ATOM 2952 CD1 PHE A 194 -0.094 9.982 -12.585 1.00 43.25 C ATOM 2953 CD2 PHE A 194 2.077 10.861 -13.036 1.00 14.52 C ATOM 2954 CE1 PHE A 194 -0.606 11.264 -12.535 1.00 65.11 C ATOM 2955 CE2 PHE A 194 1.570 12.146 -12.989 1.00 41.11 C ATOM 2956 CZ PHE A 194 0.227 12.348 -12.738 1.00 53.34 C ATOM 0 H PHE A 194 2.505 6.026 -13.229 1.00 63.35 H new ATOM 0 HA PHE A 194 0.476 7.691 -14.431 1.00 21.42 H new ATOM 0 HB2 PHE A 194 1.384 7.798 -12.051 1.00 54.02 H new ATOM 0 HB3 PHE A 194 2.884 8.415 -12.716 1.00 54.02 H new ATOM 0 HD1 PHE A 194 -0.750 9.139 -12.427 1.00 43.25 H new ATOM 0 HD2 PHE A 194 3.128 10.708 -13.231 1.00 14.52 H new ATOM 0 HE1 PHE A 194 -1.656 11.419 -12.337 1.00 65.11 H new ATOM 0 HE2 PHE A 194 2.223 12.991 -13.148 1.00 41.11 H new ATOM 0 HZ PHE A 194 -0.172 13.351 -12.700 1.00 53.34 H new ATOM 2966 N VAL A 195 3.449 7.594 -15.680 1.00 52.33 N ATOM 2967 CA VAL A 195 4.317 8.067 -16.754 1.00 53.41 C ATOM 2968 C VAL A 195 3.723 7.746 -18.123 1.00 43.43 C ATOM 2969 O VAL A 195 3.904 8.499 -19.077 1.00 30.33 O ATOM 2970 CB VAL A 195 5.722 7.435 -16.657 1.00 21.41 C ATOM 2971 CG1 VAL A 195 6.693 8.122 -17.606 1.00 2.30 C ATOM 2972 CG2 VAL A 195 6.236 7.491 -15.227 1.00 34.35 C ATOM 0 H VAL A 195 3.771 6.737 -15.230 1.00 52.33 H new ATOM 0 HA VAL A 195 4.401 9.148 -16.641 1.00 53.41 H new ATOM 0 HB VAL A 195 5.645 6.389 -16.953 1.00 21.41 H new ATOM 0 HG11 VAL A 195 7.676 7.659 -17.519 1.00 2.30 H new ATOM 0 HG12 VAL A 195 6.334 8.021 -18.630 1.00 2.30 H new ATOM 0 HG13 VAL A 195 6.766 9.179 -17.350 1.00 2.30 H new ATOM 0 HG21 VAL A 195 7.228 7.041 -15.179 1.00 34.35 H new ATOM 0 HG22 VAL A 195 6.293 8.530 -14.901 1.00 34.35 H new ATOM 0 HG23 VAL A 195 5.557 6.943 -14.574 1.00 34.35 H new ATOM 2982 N GLU A 196 3.013 6.626 -18.213 1.00 14.11 N ATOM 2983 CA GLU A 196 2.397 6.208 -19.469 1.00 4.20 C ATOM 2984 C GLU A 196 1.020 6.845 -19.652 1.00 15.34 C ATOM 2985 O GLU A 196 0.492 6.889 -20.763 1.00 61.15 O ATOM 2986 CB GLU A 196 2.275 4.681 -19.524 1.00 31.43 C ATOM 2987 CG GLU A 196 3.538 3.976 -20.003 1.00 74.41 C ATOM 2988 CD GLU A 196 4.669 4.029 -18.993 1.00 3.32 C ATOM 2989 OE1 GLU A 196 4.671 3.199 -18.060 1.00 41.21 O ATOM 2990 OE2 GLU A 196 5.555 4.899 -19.138 1.00 23.14 O1- ATOM 0 H GLU A 196 2.850 5.991 -17.432 1.00 14.11 H new ATOM 0 HA GLU A 196 3.041 6.546 -20.281 1.00 4.20 H new ATOM 0 HB2 GLU A 196 2.019 4.311 -18.531 1.00 31.43 H new ATOM 0 HB3 GLU A 196 1.450 4.416 -20.185 1.00 31.43 H new ATOM 0 HG2 GLU A 196 3.304 2.934 -20.223 1.00 74.41 H new ATOM 0 HG3 GLU A 196 3.870 4.432 -20.936 1.00 74.41 H new ATOM 2997 N LEU A 197 0.444 7.340 -18.558 1.00 55.40 N ATOM 2998 CA LEU A 197 -0.871 7.969 -18.605 1.00 12.03 C ATOM 2999 C LEU A 197 -0.760 9.464 -18.895 1.00 31.24 C ATOM 3000 O LEU A 197 -1.305 9.953 -19.885 1.00 54.02 O ATOM 3001 CB LEU A 197 -1.616 7.751 -17.286 1.00 14.21 C ATOM 3002 CG LEU A 197 -3.049 8.288 -17.256 1.00 25.45 C ATOM 3003 CD1 LEU A 197 -3.939 7.496 -18.203 1.00 53.33 C ATOM 3004 CD2 LEU A 197 -3.603 8.246 -15.843 1.00 52.21 C ATOM 0 H LEU A 197 0.868 7.317 -17.630 1.00 55.40 H new ATOM 0 HA LEU A 197 -1.432 7.503 -19.415 1.00 12.03 H new ATOM 0 HB2 LEU A 197 -1.640 6.682 -17.072 1.00 14.21 H new ATOM 0 HB3 LEU A 197 -1.050 8.224 -16.484 1.00 14.21 H new ATOM 0 HG LEU A 197 -3.033 9.326 -17.589 1.00 25.45 H new ATOM 0 HD11 LEU A 197 -4.953 7.893 -18.167 1.00 53.33 H new ATOM 0 HD12 LEU A 197 -3.553 7.578 -19.219 1.00 53.33 H new ATOM 0 HD13 LEU A 197 -3.949 6.448 -17.902 1.00 53.33 H new ATOM 0 HD21 LEU A 197 -4.623 8.631 -15.840 1.00 52.21 H new ATOM 0 HD22 LEU A 197 -3.603 7.217 -15.483 1.00 52.21 H new ATOM 0 HD23 LEU A 197 -2.982 8.859 -15.190 1.00 52.21 H new ATOM 3016 N TYR A 198 -0.052 10.183 -18.026 1.00 22.15 N ATOM 3017 CA TYR A 198 0.124 11.624 -18.185 1.00 72.53 C ATOM 3018 C TYR A 198 1.120 11.937 -19.299 1.00 33.44 C ATOM 3019 O TYR A 198 0.962 12.918 -20.028 1.00 45.13 O ATOM 3020 CB TYR A 198 0.594 12.249 -16.871 1.00 14.44 C ATOM 3021 CG TYR A 198 -0.182 13.486 -16.478 1.00 73.14 C ATOM 3022 CD1 TYR A 198 0.235 14.749 -16.878 1.00 23.14 C ATOM 3023 CD2 TYR A 198 -1.335 13.389 -15.708 1.00 61.30 C ATOM 3024 CE1 TYR A 198 -0.473 15.880 -16.522 1.00 24.53 C ATOM 3025 CE2 TYR A 198 -2.049 14.516 -15.348 1.00 60.02 C ATOM 3026 CZ TYR A 198 -1.613 15.759 -15.757 1.00 12.25 C ATOM 3027 OH TYR A 198 -2.321 16.884 -15.401 1.00 15.10 O ATOM 0 H TYR A 198 0.409 9.791 -17.205 1.00 22.15 H new ATOM 0 HA TYR A 198 -0.840 12.052 -18.459 1.00 72.53 H new ATOM 0 HB2 TYR A 198 0.509 11.509 -16.075 1.00 14.44 H new ATOM 0 HB3 TYR A 198 1.650 12.505 -16.957 1.00 14.44 H new ATOM 0 HD1 TYR A 198 1.128 14.848 -17.477 1.00 23.14 H new ATOM 0 HD2 TYR A 198 -1.678 12.417 -15.386 1.00 61.30 H new ATOM 0 HE1 TYR A 198 -0.135 16.855 -16.842 1.00 24.53 H new ATOM 0 HE2 TYR A 198 -2.943 14.424 -14.750 1.00 60.02 H new ATOM 0 HH TYR A 198 -3.098 16.625 -14.863 1.00 15.10 H new ATOM 3037 N GLY A 199 2.142 11.096 -19.428 1.00 13.15 N ATOM 3038 CA GLY A 199 3.144 11.293 -20.458 1.00 63.12 C ATOM 3039 C GLY A 199 3.052 10.252 -21.554 1.00 2.40 C ATOM 3040 O GLY A 199 3.997 9.497 -21.780 1.00 44.54 O ATOM 0 H GLY A 199 2.293 10.280 -18.835 1.00 13.15 H new ATOM 0 HA2 GLY A 199 3.026 12.286 -20.892 1.00 63.12 H new ATOM 0 HA3 GLY A 199 4.136 11.258 -20.008 1.00 63.12 H new ATOM 3044 N ASN A 200 1.910 10.216 -22.236 1.00 12.22 N ATOM 3045 CA ASN A 200 1.685 9.257 -23.314 1.00 31.11 C ATOM 3046 C ASN A 200 2.512 9.612 -24.549 1.00 31.33 C ATOM 3047 O ASN A 200 2.854 8.741 -25.348 1.00 41.40 O ATOM 3048 CB ASN A 200 0.197 9.208 -23.670 1.00 4.43 C ATOM 3049 CG ASN A 200 -0.166 7.987 -24.495 1.00 42.43 C ATOM 3050 OD1 ASN A 200 0.442 6.925 -24.356 1.00 1.41 O ATOM 3051 ND2 ASN A 200 -1.163 8.133 -25.360 1.00 21.30 N ATOM 0 H ASN A 200 1.124 10.842 -22.060 1.00 12.22 H new ATOM 0 HA ASN A 200 2.003 8.274 -22.967 1.00 31.11 H new ATOM 0 HB2 ASN A 200 -0.392 9.211 -22.753 1.00 4.43 H new ATOM 0 HB3 ASN A 200 -0.070 10.108 -24.223 1.00 4.43 H new ATOM 0 HD21 ASN A 200 -1.453 7.347 -25.942 1.00 21.30 H new ATOM 0 HD22 ASN A 200 -1.639 9.031 -25.442 1.00 21.30 H new ATOM 3058 N ASN A 201 2.834 10.897 -24.693 1.00 60.41 N ATOM 3059 CA ASN A 201 3.627 11.372 -25.825 1.00 21.42 C ATOM 3060 C ASN A 201 5.102 11.025 -25.641 1.00 33.55 C ATOM 3061 O ASN A 201 5.834 10.843 -26.615 1.00 43.22 O ATOM 3062 CB ASN A 201 3.468 12.887 -25.985 1.00 50.22 C ATOM 3063 CG ASN A 201 2.036 13.304 -26.266 1.00 13.05 C ATOM 3064 OD1 ASN A 201 1.303 12.470 -26.996 1.00 53.41 O flip ATOM 3065 ND2 ASN A 201 1.593 14.368 -25.834 1.00 4.34 N flip ATOM 0 H ASN A 201 2.557 11.628 -24.038 1.00 60.41 H new ATOM 0 HA ASN A 201 3.263 10.875 -26.724 1.00 21.42 H new ATOM 0 HB2 ASN A 201 3.814 13.381 -25.077 1.00 50.22 H new ATOM 0 HB3 ASN A 201 4.107 13.231 -26.798 1.00 50.22 H new ATOM 0 HD21 ASN A 201 2.189 14.980 -25.277 1.00 4.34 H new ATOM 0 HD22 ASN A 201 0.630 14.638 -26.033 1.00 4.34 H new ATOM 3072 N ALA A 202 5.530 10.935 -24.384 1.00 2.13 N ATOM 3073 CA ALA A 202 6.915 10.610 -24.063 1.00 20.24 C ATOM 3074 C ALA A 202 7.139 9.100 -24.040 1.00 63.21 C ATOM 3075 O ALA A 202 8.260 8.629 -24.227 1.00 33.22 O ATOM 3076 CB ALA A 202 7.297 11.221 -22.725 1.00 72.15 C ATOM 0 H ALA A 202 4.934 11.083 -23.569 1.00 2.13 H new ATOM 0 HA ALA A 202 7.551 11.030 -24.842 1.00 20.24 H new ATOM 0 HB1 ALA A 202 8.333 10.973 -22.494 1.00 72.15 H new ATOM 0 HB2 ALA A 202 7.186 12.304 -22.775 1.00 72.15 H new ATOM 0 HB3 ALA A 202 6.647 10.825 -21.945 1.00 72.15 H new ATOM 3082 N ALA A 203 6.065 8.348 -23.811 1.00 51.11 N ATOM 3083 CA ALA A 203 6.143 6.891 -23.764 1.00 63.14 C ATOM 3084 C ALA A 203 5.710 6.270 -25.091 1.00 5.14 C ATOM 3085 O ALA A 203 5.469 5.064 -25.174 1.00 43.34 O ATOM 3086 CB ALA A 203 5.290 6.358 -22.622 1.00 2.14 C ATOM 0 H ALA A 203 5.130 8.724 -23.655 1.00 51.11 H new ATOM 0 HA ALA A 203 7.182 6.612 -23.590 1.00 63.14 H new ATOM 0 HB1 ALA A 203 5.355 5.270 -22.596 1.00 2.14 H new ATOM 0 HB2 ALA A 203 5.650 6.766 -21.678 1.00 2.14 H new ATOM 0 HB3 ALA A 203 4.252 6.656 -22.773 1.00 2.14 H new