USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 988 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: B 23 SER OG : rot 60:sc= -0.808 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -152:sc= 0.745 (180deg=0.285) USER MOD Set 2.1: B 21 GLN :FLIP amide:sc= -2.92! C(o=-4.7!,f=-2!) USER MOD Set 2.2: B 24 SER OG : rot 104:sc= 0.917 USER MOD Set 3.1: B 20 THR OG1 : rot 63:sc= -1.61! USER MOD Set 3.2: B 68 SER OG : rot 89:sc= -4.06! USER MOD Set 4.1: A 20 THR OG1 : rot 55:sc= -1.88! USER MOD Set 4.2: A 68 SER OG : rot 83:sc= -3.57! USER MOD Set 5.1: A 23 SER OG : rot 60:sc= -0.801 USER MOD Set 5.2: A 74 LYS NZ :NH3+ -154:sc= 0.762 (180deg=0.312) USER MOD Set 6.1: A 21 GLN :FLIP amide:sc= -2.79! C(o=-4.6!,f=-1.9!) USER MOD Set 6.2: A 24 SER OG : rot 104:sc= 0.881 USER MOD Single : A 4 SER OG : rot 37:sc= 0.0526 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -75:sc= -2.17 USER MOD Single : A 13 ASN :FLIP amide:sc= -13.1! C(o=-19!,f=-13!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.633 F(o=-7.8!,f=-0.63) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -170:sc= -0.612 USER MOD Single : A 40 SER OG : rot -62:sc= 1.1 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -46:sc= 0.135 USER MOD Single : A 66 THR OG1 : rot 130:sc= -3.2! USER MOD Single : A 67 SER OG : rot -132:sc= -1.93! USER MOD Single : A 70 THR OG1 : rot -165:sc= 1.99 USER MOD Single : B 4 SER OG : rot 30:sc= 0.05 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot -76:sc= -2.2 USER MOD Single : B 13 ASN :FLIP amide:sc= -12.9! C(o=-19!,f=-13!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.591 F(o=-7.7!,f=-0.59) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot -170:sc= -0.567 USER MOD Single : B 40 SER OG : rot -70:sc= 1.13 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 64 THR OG1 : rot -50:sc= 0.126 USER MOD Single : B 66 THR OG1 : rot 130:sc= -3.33! USER MOD Single : B 67 SER OG : rot -134:sc= -1.7! USER MOD Single : B 70 THR OG1 : rot -163:sc= 2 USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.613 10.039 -5.442 1.00 0.00 N ATOM 47 CA SER A 4 -14.241 8.756 -5.731 1.00 0.00 C ATOM 48 C SER A 4 -13.271 7.628 -5.453 1.00 0.00 C ATOM 49 O SER A 4 -12.154 7.868 -5.014 1.00 0.00 O ATOM 50 CB SER A 4 -14.680 8.695 -7.189 1.00 0.00 C ATOM 51 OG SER A 4 -15.603 9.727 -7.495 1.00 0.00 O ATOM 0 HA SER A 4 -15.116 8.650 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.808 8.781 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.135 7.726 -7.393 1.00 0.00 H new ATOM 0 HG SER A 4 -15.359 10.540 -7.005 1.00 0.00 H new ATOM 57 N VAL A 5 -13.695 6.397 -5.700 1.00 0.00 N ATOM 58 CA VAL A 5 -12.825 5.252 -5.487 1.00 0.00 C ATOM 59 C VAL A 5 -11.844 5.116 -6.652 1.00 0.00 C ATOM 60 O VAL A 5 -10.635 5.044 -6.449 1.00 0.00 O ATOM 61 CB VAL A 5 -13.624 3.938 -5.288 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.093 4.234 -5.011 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.458 2.988 -6.475 1.00 0.00 C ATOM 0 H VAL A 5 -14.627 6.168 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.268 5.427 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.213 3.430 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.634 3.297 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.178 4.837 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.519 4.780 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.033 2.079 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.818 3.473 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.405 2.733 -6.593 1.00 0.00 H new ATOM 73 N GLY A 6 -12.378 5.096 -7.876 1.00 0.00 N ATOM 74 CA GLY A 6 -11.536 4.977 -9.054 1.00 0.00 C ATOM 75 C GLY A 6 -10.685 6.212 -9.256 1.00 0.00 C ATOM 76 O GLY A 6 -9.490 6.119 -9.548 1.00 0.00 O ATOM 0 H GLY A 6 -13.377 5.160 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.892 4.103 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.160 4.816 -9.933 1.00 0.00 H new ATOM 80 N ASP A 7 -11.305 7.376 -9.096 1.00 0.00 N ATOM 81 CA ASP A 7 -10.593 8.638 -9.232 1.00 0.00 C ATOM 82 C ASP A 7 -9.502 8.705 -8.184 1.00 0.00 C ATOM 83 O ASP A 7 -8.403 9.200 -8.438 1.00 0.00 O ATOM 84 CB ASP A 7 -11.550 9.816 -9.060 1.00 0.00 C ATOM 85 CG ASP A 7 -12.649 9.831 -10.105 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.524 8.942 -10.060 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.631 10.731 -10.971 1.00 0.00 O ATOM 0 H ASP A 7 -12.296 7.470 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.155 8.695 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.998 9.774 -8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.987 10.748 -9.116 1.00 0.00 H new ATOM 92 N ALA A 8 -9.827 8.203 -6.997 1.00 0.00 N ATOM 93 CA ALA A 8 -8.884 8.170 -5.902 1.00 0.00 C ATOM 94 C ALA A 8 -7.601 7.518 -6.355 1.00 0.00 C ATOM 95 O ALA A 8 -6.516 8.014 -6.078 1.00 0.00 O ATOM 96 CB ALA A 8 -9.446 7.395 -4.731 1.00 0.00 C ATOM 0 H ALA A 8 -10.743 7.813 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.691 9.195 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.719 7.384 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.365 7.870 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.660 6.372 -5.041 1.00 0.00 H new ATOM 102 N PHE A 9 -7.739 6.391 -7.054 1.00 0.00 N ATOM 103 CA PHE A 9 -6.592 5.666 -7.543 1.00 0.00 C ATOM 104 C PHE A 9 -5.682 6.574 -8.364 1.00 0.00 C ATOM 105 O PHE A 9 -4.513 6.688 -8.060 1.00 0.00 O ATOM 106 CB PHE A 9 -7.022 4.428 -8.319 1.00 0.00 C ATOM 107 CG PHE A 9 -7.181 3.254 -7.412 1.00 0.00 C ATOM 108 CD1 PHE A 9 -8.390 3.025 -6.791 1.00 0.00 C ATOM 109 CD2 PHE A 9 -6.124 2.397 -7.154 1.00 0.00 C ATOM 110 CE1 PHE A 9 -8.551 1.966 -5.931 1.00 0.00 C ATOM 111 CE2 PHE A 9 -6.281 1.336 -6.288 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.498 1.123 -5.676 1.00 0.00 C ATOM 0 H PHE A 9 -8.638 5.970 -7.288 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.011 5.322 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.963 4.625 -8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.282 4.201 -9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.222 3.687 -6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.171 2.561 -7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.506 1.797 -5.456 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.452 0.673 -6.089 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.623 0.293 -4.996 1.00 0.00 H new ATOM 122 N ASP A 10 -6.225 7.297 -9.337 1.00 0.00 N ATOM 123 CA ASP A 10 -5.385 8.172 -10.166 1.00 0.00 C ATOM 124 C ASP A 10 -4.408 8.946 -9.282 1.00 0.00 C ATOM 125 O ASP A 10 -3.191 8.946 -9.507 1.00 0.00 O ATOM 126 CB ASP A 10 -6.252 9.146 -10.967 1.00 0.00 C ATOM 127 CG ASP A 10 -5.425 10.070 -11.840 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.153 9.702 -13.002 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.051 11.161 -11.362 1.00 0.00 O ATOM 0 H ASP A 10 -7.217 7.301 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.822 7.554 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.944 8.582 -11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.854 9.741 -10.281 1.00 0.00 H new ATOM 134 N LYS A 11 -4.960 9.569 -8.253 1.00 0.00 N ATOM 135 CA LYS A 11 -4.173 10.331 -7.286 1.00 0.00 C ATOM 136 C LYS A 11 -3.252 9.380 -6.524 1.00 0.00 C ATOM 137 O LYS A 11 -2.050 9.607 -6.388 1.00 0.00 O ATOM 138 CB LYS A 11 -5.125 11.034 -6.318 1.00 0.00 C ATOM 139 CG LYS A 11 -4.588 12.340 -5.753 1.00 0.00 C ATOM 140 CD LYS A 11 -3.360 12.110 -4.890 1.00 0.00 C ATOM 141 CE LYS A 11 -2.749 13.425 -4.431 1.00 0.00 C ATOM 142 NZ LYS A 11 -1.576 13.211 -3.541 1.00 0.00 N ATOM 0 H LYS A 11 -5.962 9.563 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.565 11.076 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.066 11.233 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.349 10.359 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.338 13.016 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.363 12.828 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.631 11.510 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.620 11.540 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.443 14.007 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.502 14.011 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.188 14.131 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.872 12.678 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.846 12.674 -4.052 1.00 0.00 H new ATOM 156 N TYR A 12 -3.867 8.320 -6.034 1.00 0.00 N ATOM 157 CA TYR A 12 -3.214 7.246 -5.299 1.00 0.00 C ATOM 158 C TYR A 12 -1.936 6.802 -5.990 1.00 0.00 C ATOM 159 O TYR A 12 -0.838 6.954 -5.466 1.00 0.00 O ATOM 160 CB TYR A 12 -4.182 6.065 -5.320 1.00 0.00 C ATOM 161 CG TYR A 12 -4.439 5.349 -4.024 1.00 0.00 C ATOM 162 CD1 TYR A 12 -4.852 6.037 -2.891 1.00 0.00 C ATOM 163 CD2 TYR A 12 -4.326 3.964 -3.956 1.00 0.00 C ATOM 164 CE1 TYR A 12 -5.133 5.365 -1.718 1.00 0.00 C ATOM 165 CE2 TYR A 12 -4.616 3.293 -2.789 1.00 0.00 C ATOM 166 CZ TYR A 12 -5.014 3.993 -1.678 1.00 0.00 C ATOM 167 OH TYR A 12 -5.285 3.311 -0.518 1.00 0.00 O ATOM 0 H TYR A 12 -4.871 8.175 -6.139 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.965 7.585 -4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.139 6.422 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.806 5.336 -6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.955 7.111 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.008 3.410 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.444 5.910 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.530 2.217 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.548 3.438 0.116 1.00 0.00 H new ATOM 177 N ASN A 13 -2.124 6.296 -7.202 1.00 0.00 N ATOM 178 CA ASN A 13 -1.063 5.749 -8.028 1.00 0.00 C ATOM 179 C ASN A 13 0.184 6.603 -8.030 1.00 0.00 C ATOM 180 O ASN A 13 1.249 6.155 -7.612 1.00 0.00 O ATOM 181 CB ASN A 13 -1.545 5.617 -9.468 1.00 0.00 C ATOM 182 CG ASN A 13 -3.018 5.252 -9.603 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.595 4.620 -8.579 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.641 5.544 -10.625 1.00 0.00 N flip ATOM 0 H ASN A 13 -3.042 6.255 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.811 4.779 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.367 6.559 -9.987 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.947 4.858 -9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.169 6.027 -11.389 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.629 5.302 -10.707 1.00 0.00 H new ATOM 191 N GLU A 14 0.056 7.827 -8.510 1.00 0.00 N ATOM 192 CA GLU A 14 1.198 8.721 -8.572 1.00 0.00 C ATOM 193 C GLU A 14 1.896 8.768 -7.212 1.00 0.00 C ATOM 194 O GLU A 14 3.125 8.742 -7.118 1.00 0.00 O ATOM 195 CB GLU A 14 0.740 10.120 -9.000 1.00 0.00 C ATOM 196 CG GLU A 14 0.242 10.979 -7.853 1.00 0.00 C ATOM 197 CD GLU A 14 1.310 11.912 -7.314 1.00 0.00 C ATOM 198 OE1 GLU A 14 1.528 12.979 -7.925 1.00 0.00 O ATOM 199 OE2 GLU A 14 1.929 11.575 -6.283 1.00 0.00 O ATOM 0 H GLU A 14 -0.817 8.222 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 14 1.909 8.351 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.570 10.630 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.055 10.022 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.612 11.567 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.111 10.334 -7.048 1.00 0.00 H new ATOM 206 N ALA A 15 1.084 8.760 -6.166 1.00 0.00 N ATOM 207 CA ALA A 15 1.563 8.838 -4.797 1.00 0.00 C ATOM 208 C ALA A 15 2.244 7.563 -4.332 1.00 0.00 C ATOM 209 O ALA A 15 3.226 7.610 -3.590 1.00 0.00 O ATOM 210 CB ALA A 15 0.390 9.148 -3.875 1.00 0.00 C ATOM 0 H ALA A 15 0.069 8.699 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 15 2.311 9.630 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.743 9.208 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.056 10.100 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.356 8.358 -3.958 1.00 0.00 H new ATOM 216 N VAL A 16 1.742 6.424 -4.769 1.00 0.00 N ATOM 217 CA VAL A 16 2.287 5.173 -4.310 1.00 0.00 C ATOM 218 C VAL A 16 3.433 4.694 -5.142 1.00 0.00 C ATOM 219 O VAL A 16 4.491 4.344 -4.619 1.00 0.00 O ATOM 220 CB VAL A 16 1.216 4.086 -4.211 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.240 4.192 -5.372 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.863 2.709 -4.145 1.00 0.00 C ATOM 0 H VAL A 16 0.970 6.344 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 16 2.672 5.373 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 16 0.650 4.231 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.515 3.411 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.244 5.168 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.779 4.073 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.088 1.946 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.456 2.542 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.509 2.652 -3.269 1.00 0.00 H new ATOM 232 N ARG A 17 3.215 4.659 -6.427 1.00 0.00 N ATOM 233 CA ARG A 17 4.225 4.199 -7.327 1.00 0.00 C ATOM 234 C ARG A 17 5.535 4.871 -7.052 1.00 0.00 C ATOM 235 O ARG A 17 6.600 4.246 -7.101 1.00 0.00 O ATOM 236 CB ARG A 17 3.745 4.361 -8.762 1.00 0.00 C ATOM 237 CG ARG A 17 2.487 3.563 -9.057 1.00 0.00 C ATOM 238 CD ARG A 17 2.351 2.345 -8.160 1.00 0.00 C ATOM 239 NE ARG A 17 1.046 2.239 -7.592 1.00 0.00 N ATOM 240 CZ ARG A 17 0.772 1.404 -6.638 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.588 0.408 -6.356 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.338 1.534 -5.988 1.00 0.00 N ATOM 0 H ARG A 17 2.343 4.945 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 17 4.404 3.135 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.555 5.416 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.537 4.047 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.615 4.204 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.498 3.244 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.569 1.445 -8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.090 2.400 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 17 0.303 2.840 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.448 0.286 -6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.360 -0.241 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.985 2.286 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.567 0.885 -5.235 1.00 0.00 H new ATOM 256 N VAL A 18 5.466 6.120 -6.692 1.00 0.00 N ATOM 257 CA VAL A 18 6.664 6.824 -6.388 1.00 0.00 C ATOM 258 C VAL A 18 7.177 6.410 -5.018 1.00 0.00 C ATOM 259 O VAL A 18 8.350 6.145 -4.858 1.00 0.00 O ATOM 260 CB VAL A 18 6.449 8.344 -6.430 1.00 0.00 C ATOM 261 CG1 VAL A 18 5.898 8.746 -7.787 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.516 8.783 -5.307 1.00 0.00 C ATOM 0 H VAL A 18 4.605 6.659 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 18 7.404 6.568 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 18 7.406 8.845 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.747 9.825 -7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.605 8.460 -8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.947 8.242 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.375 9.863 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.552 8.286 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.953 8.514 -4.345 1.00 0.00 H new ATOM 272 N PHE A 19 6.274 6.241 -4.058 1.00 0.00 N ATOM 273 CA PHE A 19 6.681 5.937 -2.695 1.00 0.00 C ATOM 274 C PHE A 19 7.352 4.559 -2.525 1.00 0.00 C ATOM 275 O PHE A 19 8.411 4.454 -1.876 1.00 0.00 O ATOM 276 CB PHE A 19 5.487 6.198 -1.726 1.00 0.00 C ATOM 277 CG PHE A 19 4.541 5.064 -1.367 1.00 0.00 C ATOM 278 CD1 PHE A 19 4.979 3.793 -1.064 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.182 5.312 -1.300 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.089 2.795 -0.720 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.284 4.320 -0.961 1.00 0.00 C ATOM 282 CZ PHE A 19 2.740 3.056 -0.674 1.00 0.00 C ATOM 0 H PHE A 19 5.266 6.309 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 19 7.486 6.620 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.903 6.581 -0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.886 6.997 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.036 3.574 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.815 6.304 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.454 1.806 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.227 4.537 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.043 2.273 -0.414 1.00 0.00 H new ATOM 292 N THR A 20 6.829 3.510 -3.152 1.00 0.00 N ATOM 293 CA THR A 20 7.418 2.202 -2.921 1.00 0.00 C ATOM 294 C THR A 20 8.673 1.962 -3.739 1.00 0.00 C ATOM 295 O THR A 20 9.693 1.563 -3.174 1.00 0.00 O ATOM 296 CB THR A 20 6.433 1.050 -3.119 1.00 0.00 C ATOM 297 OG1 THR A 20 5.527 1.005 -2.029 1.00 0.00 O ATOM 298 CG2 THR A 20 7.171 -0.267 -3.230 1.00 0.00 C ATOM 0 H THR A 20 6.037 3.536 -3.794 1.00 0.00 H new ATOM 0 HA THR A 20 7.701 2.217 -1.868 1.00 0.00 H new ATOM 0 HB THR A 20 5.880 1.216 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.090 1.877 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.453 -1.075 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.850 -0.233 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.741 -0.443 -2.318 1.00 0.00 H new ATOM 306 N GLN A 21 8.642 2.189 -5.051 1.00 0.00 N ATOM 307 CA GLN A 21 9.850 1.956 -5.814 1.00 0.00 C ATOM 308 C GLN A 21 10.911 2.936 -5.361 1.00 0.00 C ATOM 309 O GLN A 21 12.079 2.788 -5.690 1.00 0.00 O ATOM 310 CB GLN A 21 9.625 2.006 -7.321 1.00 0.00 C ATOM 311 CG GLN A 21 9.226 0.645 -7.914 1.00 0.00 C ATOM 312 CD GLN A 21 9.914 -0.524 -7.246 1.00 0.00 C ATOM 313 OE1 GLN A 21 9.286 -1.051 -6.200 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.992 -0.948 -7.663 1.00 0.00 N flip ATOM 0 H GLN A 21 7.834 2.517 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 21 10.190 0.939 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.846 2.735 -7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.536 2.355 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.147 0.521 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.462 0.637 -8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.435 -0.509 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.442 -1.738 -7.201 1.00 0.00 H new ATOM 323 N LEU A 22 10.503 3.950 -4.601 1.00 0.00 N ATOM 324 CA LEU A 22 11.473 4.873 -4.056 1.00 0.00 C ATOM 325 C LEU A 22 12.409 4.059 -3.196 1.00 0.00 C ATOM 326 O LEU A 22 13.627 4.206 -3.268 1.00 0.00 O ATOM 327 CB LEU A 22 10.820 5.975 -3.210 1.00 0.00 C ATOM 328 CG LEU A 22 10.507 7.304 -3.926 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.268 8.442 -3.277 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.813 7.247 -5.425 1.00 0.00 C ATOM 0 H LEU A 22 9.532 4.144 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 22 11.994 5.376 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.890 5.582 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.476 6.189 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 22 9.436 7.479 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.038 9.374 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.976 8.525 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.339 8.247 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.575 8.208 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.870 7.027 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.212 6.466 -5.890 1.00 0.00 H new ATOM 342 N SER A 23 11.820 3.173 -2.389 1.00 0.00 N ATOM 343 CA SER A 23 12.623 2.303 -1.537 1.00 0.00 C ATOM 344 C SER A 23 13.337 1.212 -2.353 1.00 0.00 C ATOM 345 O SER A 23 14.534 0.983 -2.174 1.00 0.00 O ATOM 346 CB SER A 23 11.766 1.674 -0.433 1.00 0.00 C ATOM 347 OG SER A 23 11.557 2.589 0.629 1.00 0.00 O ATOM 0 H SER A 23 10.811 3.043 -2.310 1.00 0.00 H new ATOM 0 HA SER A 23 13.388 2.923 -1.070 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.806 1.364 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.255 0.777 -0.054 1.00 0.00 H new ATOM 0 HG SER A 23 11.099 3.386 0.289 1.00 0.00 H new ATOM 353 N SER A 24 12.611 0.542 -3.250 1.00 0.00 N ATOM 354 CA SER A 24 13.201 -0.522 -4.068 1.00 0.00 C ATOM 355 C SER A 24 14.225 0.010 -5.051 1.00 0.00 C ATOM 356 O SER A 24 15.389 -0.387 -5.015 1.00 0.00 O ATOM 357 CB SER A 24 12.131 -1.284 -4.834 1.00 0.00 C ATOM 358 OG SER A 24 12.693 -2.014 -5.910 1.00 0.00 O ATOM 0 H SER A 24 11.622 0.714 -3.428 1.00 0.00 H new ATOM 0 HA SER A 24 13.704 -1.195 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.613 -1.966 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.386 -0.586 -5.215 1.00 0.00 H new ATOM 0 HG SER A 24 12.742 -2.963 -5.671 1.00 0.00 H new ATOM 364 N ALA A 25 13.784 0.890 -5.942 1.00 0.00 N ATOM 365 CA ALA A 25 14.674 1.472 -6.931 1.00 0.00 C ATOM 366 C ALA A 25 15.930 1.956 -6.235 1.00 0.00 C ATOM 367 O ALA A 25 17.026 1.906 -6.788 1.00 0.00 O ATOM 368 CB ALA A 25 13.986 2.616 -7.671 1.00 0.00 C ATOM 0 H ALA A 25 12.818 1.213 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 25 14.939 0.717 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.671 3.037 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.097 2.240 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.698 3.389 -6.959 1.00 0.00 H new ATOM 374 N ALA A 26 15.753 2.391 -4.991 1.00 0.00 N ATOM 375 CA ALA A 26 16.861 2.880 -4.184 1.00 0.00 C ATOM 376 C ALA A 26 17.922 1.805 -3.967 1.00 0.00 C ATOM 377 O ALA A 26 19.116 2.094 -4.055 1.00 0.00 O ATOM 378 CB ALA A 26 16.358 3.405 -2.846 1.00 0.00 C ATOM 0 H ALA A 26 14.848 2.414 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 26 17.327 3.698 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.201 3.766 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.657 4.222 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.855 2.603 -2.306 1.00 0.00 H new ATOM 384 N ASN A 27 17.506 0.565 -3.686 1.00 0.00 N ATOM 385 CA ASN A 27 18.489 -0.494 -3.456 1.00 0.00 C ATOM 386 C ASN A 27 17.958 -1.923 -3.655 1.00 0.00 C ATOM 387 O ASN A 27 18.680 -2.767 -4.188 1.00 0.00 O ATOM 388 CB ASN A 27 19.081 -0.365 -2.048 1.00 0.00 C ATOM 389 CG ASN A 27 18.061 0.042 -0.996 1.00 0.00 C ATOM 390 OD1 ASN A 27 16.782 -0.194 -1.269 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.421 0.576 0.053 1.00 0.00 N flip ATOM 0 H ASN A 27 16.530 0.278 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 27 19.252 -0.347 -4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.527 -1.317 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.885 0.370 -2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.412 0.741 0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.728 0.854 0.748 1.00 0.00 H new ATOM 398 N CYS A 28 16.717 -2.207 -3.251 1.00 0.00 N ATOM 399 CA CYS A 28 16.191 -3.570 -3.368 1.00 0.00 C ATOM 400 C CYS A 28 14.730 -3.661 -2.942 1.00 0.00 C ATOM 401 O CYS A 28 14.195 -2.739 -2.358 1.00 0.00 O ATOM 402 CB CYS A 28 17.042 -4.495 -2.485 1.00 0.00 C ATOM 403 SG CYS A 28 16.132 -5.813 -1.625 1.00 0.00 S ATOM 0 H CYS A 28 16.070 -1.529 -2.849 1.00 0.00 H new ATOM 0 HA CYS A 28 16.242 -3.870 -4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.811 -4.954 -3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.555 -3.886 -1.740 1.00 0.00 H new ATOM 408 N ASP A 29 14.090 -4.779 -3.261 1.00 0.00 N ATOM 409 CA ASP A 29 12.696 -5.018 -2.879 1.00 0.00 C ATOM 410 C ASP A 29 12.598 -6.217 -1.935 1.00 0.00 C ATOM 411 O ASP A 29 13.396 -7.149 -2.043 1.00 0.00 O ATOM 412 CB ASP A 29 11.840 -5.269 -4.122 1.00 0.00 C ATOM 413 CG ASP A 29 12.646 -5.840 -5.273 1.00 0.00 C ATOM 414 OD1 ASP A 29 13.221 -5.046 -6.046 1.00 0.00 O ATOM 415 OD2 ASP A 29 12.703 -7.082 -5.399 1.00 0.00 O ATOM 0 H ASP A 29 14.515 -5.542 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 29 12.326 -4.131 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.033 -5.957 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.376 -4.334 -4.435 1.00 0.00 H new ATOM 420 N TRP A 30 11.629 -6.212 -1.010 1.00 0.00 N ATOM 421 CA TRP A 30 11.490 -7.342 -0.092 1.00 0.00 C ATOM 422 C TRP A 30 11.068 -8.567 -0.895 1.00 0.00 C ATOM 423 O TRP A 30 11.634 -9.649 -0.742 1.00 0.00 O ATOM 424 CB TRP A 30 10.506 -7.052 1.072 1.00 0.00 C ATOM 425 CG TRP A 30 9.177 -6.531 0.670 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.200 -7.143 -0.055 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.676 -5.260 1.031 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.141 -6.286 -0.215 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.419 -5.122 0.450 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.195 -4.211 1.779 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.674 -3.970 0.593 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.454 -3.070 1.929 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.207 -2.952 1.335 1.00 0.00 C ATOM 0 H TRP A 30 10.950 -5.461 -0.881 1.00 0.00 H new ATOM 0 HA TRP A 30 12.453 -7.526 0.385 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.360 -7.972 1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.970 -6.332 1.746 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.251 -8.149 -0.444 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.290 -6.483 -0.741 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.170 -4.295 2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.701 -3.875 0.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.845 -2.253 2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.645 -2.038 1.461 1.00 0.00 H new ATOM 444 N ALA A 31 10.087 -8.353 -1.780 1.00 0.00 N ATOM 445 CA ALA A 31 9.564 -9.384 -2.674 1.00 0.00 C ATOM 446 C ALA A 31 8.772 -10.456 -1.927 1.00 0.00 C ATOM 447 O ALA A 31 7.703 -10.884 -2.366 1.00 0.00 O ATOM 448 CB ALA A 31 10.704 -10.011 -3.453 1.00 0.00 C ATOM 0 H ALA A 31 9.631 -7.448 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 31 8.870 -8.903 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.311 -10.779 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.208 -9.244 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.414 -10.461 -2.759 1.00 0.00 H new ATOM 454 N ALA A 32 9.301 -10.883 -0.801 1.00 0.00 N ATOM 455 CA ALA A 32 8.658 -11.908 0.006 1.00 0.00 C ATOM 456 C ALA A 32 7.390 -11.379 0.666 1.00 0.00 C ATOM 457 O ALA A 32 6.366 -12.065 0.714 1.00 0.00 O ATOM 458 CB ALA A 32 9.624 -12.436 1.054 1.00 0.00 C ATOM 0 H ALA A 32 10.180 -10.536 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 32 8.372 -12.727 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.130 -13.202 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.496 -12.866 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.940 -11.619 1.702 1.00 0.00 H new ATOM 464 N CYS A 33 7.459 -10.150 1.163 1.00 0.00 N ATOM 465 CA CYS A 33 6.319 -9.547 1.834 1.00 0.00 C ATOM 466 C CYS A 33 5.181 -9.257 0.876 1.00 0.00 C ATOM 467 O CYS A 33 4.040 -9.568 1.166 1.00 0.00 O ATOM 468 CB CYS A 33 6.716 -8.266 2.547 1.00 0.00 C ATOM 469 SG CYS A 33 6.167 -8.210 4.287 1.00 0.00 S ATOM 0 H CYS A 33 8.287 -9.557 1.114 1.00 0.00 H new ATOM 0 HA CYS A 33 5.973 -10.275 2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.800 -8.159 2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.294 -7.415 2.012 1.00 0.00 H new ATOM 474 N LEU A 34 5.472 -8.655 -0.260 1.00 0.00 N ATOM 475 CA LEU A 34 4.411 -8.351 -1.198 1.00 0.00 C ATOM 476 C LEU A 34 3.589 -9.595 -1.479 1.00 0.00 C ATOM 477 O LEU A 34 2.361 -9.541 -1.507 1.00 0.00 O ATOM 478 CB LEU A 34 4.958 -7.726 -2.469 1.00 0.00 C ATOM 479 CG LEU A 34 6.323 -8.245 -2.893 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.176 -9.256 -4.017 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.214 -7.094 -3.311 1.00 0.00 C ATOM 0 H LEU A 34 6.408 -8.373 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 34 3.750 -7.610 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.250 -7.902 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.021 -6.647 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 34 6.790 -8.746 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.161 -9.619 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.567 -10.093 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.694 -8.782 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.188 -7.479 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.758 -6.566 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.338 -6.407 -2.474 1.00 0.00 H new ATOM 493 N SER A 35 4.259 -10.722 -1.660 1.00 0.00 N ATOM 494 CA SER A 35 3.549 -11.971 -1.877 1.00 0.00 C ATOM 495 C SER A 35 2.547 -12.171 -0.745 1.00 0.00 C ATOM 496 O SER A 35 1.443 -12.668 -0.947 1.00 0.00 O ATOM 497 CB SER A 35 4.531 -13.138 -1.910 1.00 0.00 C ATOM 498 OG SER A 35 3.864 -14.363 -2.159 1.00 0.00 O ATOM 0 H SER A 35 5.276 -10.798 -1.661 1.00 0.00 H new ATOM 0 HA SER A 35 3.027 -11.931 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.279 -12.965 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.062 -13.197 -0.960 1.00 0.00 H new ATOM 0 HG SER A 35 4.517 -15.093 -2.176 1.00 0.00 H new ATOM 504 N SER A 36 2.968 -11.757 0.449 1.00 0.00 N ATOM 505 CA SER A 36 2.151 -11.854 1.667 1.00 0.00 C ATOM 506 C SER A 36 0.741 -11.262 1.482 1.00 0.00 C ATOM 507 O SER A 36 -0.249 -11.898 1.847 1.00 0.00 O ATOM 508 CB SER A 36 2.865 -11.156 2.831 1.00 0.00 C ATOM 509 OG SER A 36 2.508 -11.733 4.075 1.00 0.00 O ATOM 0 H SER A 36 3.887 -11.343 0.604 1.00 0.00 H new ATOM 0 HA SER A 36 2.027 -12.914 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.944 -11.225 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.611 -10.096 2.833 1.00 0.00 H new ATOM 0 HG SER A 36 2.980 -11.269 4.798 1.00 0.00 H new ATOM 515 N LEU A 37 0.643 -10.047 0.933 1.00 0.00 N ATOM 516 CA LEU A 37 -0.678 -9.430 0.716 1.00 0.00 C ATOM 517 C LEU A 37 -1.428 -10.299 -0.250 1.00 0.00 C ATOM 518 O LEU A 37 -2.557 -10.712 0.000 1.00 0.00 O ATOM 519 CB LEU A 37 -0.594 -8.003 0.146 1.00 0.00 C ATOM 520 CG LEU A 37 -1.829 -7.534 -0.628 1.00 0.00 C ATOM 521 CD1 LEU A 37 -3.009 -7.328 0.301 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.537 -6.268 -1.397 1.00 0.00 C ATOM 0 H LEU A 37 1.437 -9.480 0.636 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.180 -9.352 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.417 -7.311 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.272 -7.943 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.088 -8.316 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.872 -6.995 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.247 -8.267 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.758 -6.574 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.431 -5.956 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.240 -5.481 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.729 -6.451 -2.106 1.00 0.00 H new ATOM 534 N SER A 38 -0.762 -10.575 -1.358 1.00 0.00 N ATOM 535 CA SER A 38 -1.306 -11.420 -2.393 1.00 0.00 C ATOM 536 C SER A 38 -1.432 -12.857 -1.884 1.00 0.00 C ATOM 537 O SER A 38 -1.837 -13.760 -2.615 1.00 0.00 O ATOM 538 CB SER A 38 -0.401 -11.351 -3.624 1.00 0.00 C ATOM 539 OG SER A 38 0.161 -12.617 -3.921 1.00 0.00 O ATOM 0 H SER A 38 0.171 -10.217 -1.560 1.00 0.00 H new ATOM 0 HA SER A 38 -2.302 -11.073 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.974 -10.995 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.396 -10.628 -3.452 1.00 0.00 H new ATOM 0 HG SER A 38 0.852 -12.515 -4.608 1.00 0.00 H new ATOM 545 N ALA A 39 -1.078 -13.048 -0.612 1.00 0.00 N ATOM 546 CA ALA A 39 -1.141 -14.357 0.031 1.00 0.00 C ATOM 547 C ALA A 39 -2.344 -14.437 0.963 1.00 0.00 C ATOM 548 O ALA A 39 -2.704 -15.520 1.423 1.00 0.00 O ATOM 549 CB ALA A 39 0.145 -14.637 0.796 1.00 0.00 C ATOM 0 H ALA A 39 -0.741 -12.302 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.254 -15.116 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.081 -15.617 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.989 -14.621 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.287 -13.873 1.561 1.00 0.00 H new ATOM 555 N SER A 40 -2.928 -13.265 1.246 1.00 0.00 N ATOM 556 CA SER A 40 -4.122 -13.127 2.093 1.00 0.00 C ATOM 557 C SER A 40 -3.792 -12.853 3.554 1.00 0.00 C ATOM 558 O SER A 40 -3.092 -13.624 4.210 1.00 0.00 O ATOM 559 CB SER A 40 -5.038 -14.354 1.994 1.00 0.00 C ATOM 560 OG SER A 40 -4.692 -15.335 2.958 1.00 0.00 O ATOM 0 H SER A 40 -2.581 -12.375 0.889 1.00 0.00 H new ATOM 0 HA SER A 40 -4.649 -12.256 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.075 -14.049 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.968 -14.783 0.994 1.00 0.00 H new ATOM 0 HG SER A 40 -3.779 -15.651 2.791 1.00 0.00 H new ATOM 566 N SER A 41 -4.311 -11.728 4.048 1.00 0.00 N ATOM 567 CA SER A 41 -4.143 -11.338 5.439 1.00 0.00 C ATOM 568 C SER A 41 -5.518 -11.197 6.065 1.00 0.00 C ATOM 569 O SER A 41 -6.439 -10.680 5.438 1.00 0.00 O ATOM 570 CB SER A 41 -3.390 -10.014 5.580 1.00 0.00 C ATOM 571 OG SER A 41 -2.610 -9.997 6.761 1.00 0.00 O ATOM 0 H SER A 41 -4.856 -11.068 3.494 1.00 0.00 H new ATOM 0 HA SER A 41 -3.554 -12.106 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.747 -9.863 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.100 -9.188 5.597 1.00 0.00 H new ATOM 0 HG SER A 41 -2.137 -9.141 6.828 1.00 0.00 H new ATOM 577 N ALA A 42 -5.645 -11.641 7.299 1.00 0.00 N ATOM 578 CA ALA A 42 -6.919 -11.576 8.010 1.00 0.00 C ATOM 579 C ALA A 42 -7.412 -10.140 8.120 1.00 0.00 C ATOM 580 O ALA A 42 -8.547 -9.883 8.529 1.00 0.00 O ATOM 581 CB ALA A 42 -6.776 -12.188 9.393 1.00 0.00 C ATOM 0 H ALA A 42 -4.883 -12.053 7.837 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.655 -12.144 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.731 -12.135 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.471 -13.230 9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.023 -11.639 9.958 1.00 0.00 H new ATOM 587 N ALA A 43 -6.551 -9.210 7.736 1.00 0.00 N ATOM 588 CA ALA A 43 -6.859 -7.795 7.823 1.00 0.00 C ATOM 589 C ALA A 43 -7.572 -7.254 6.593 1.00 0.00 C ATOM 590 O ALA A 43 -8.694 -6.779 6.702 1.00 0.00 O ATOM 591 CB ALA A 43 -5.574 -7.021 8.078 1.00 0.00 C ATOM 0 H ALA A 43 -5.626 -9.415 7.358 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.554 -7.664 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.798 -5.956 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.126 -7.357 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.876 -7.195 7.259 1.00 0.00 H new ATOM 597 N CYS A 44 -6.928 -7.328 5.438 1.00 0.00 N ATOM 598 CA CYS A 44 -7.512 -6.813 4.199 1.00 0.00 C ATOM 599 C CYS A 44 -8.997 -7.134 4.081 1.00 0.00 C ATOM 600 O CYS A 44 -9.770 -6.361 3.511 1.00 0.00 O ATOM 601 CB CYS A 44 -6.743 -7.342 2.992 1.00 0.00 C ATOM 602 SG CYS A 44 -5.652 -8.757 3.358 1.00 0.00 S ATOM 0 H CYS A 44 -6.001 -7.739 5.328 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.427 -5.727 4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.456 -7.638 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.142 -6.533 2.576 1.00 0.00 H new ATOM 607 N ILE A 45 -9.395 -8.272 4.616 1.00 0.00 N ATOM 608 CA ILE A 45 -10.790 -8.674 4.580 1.00 0.00 C ATOM 609 C ILE A 45 -11.566 -8.026 5.727 1.00 0.00 C ATOM 610 O ILE A 45 -12.643 -7.414 5.536 1.00 0.00 O ATOM 611 CB ILE A 45 -10.946 -10.204 4.625 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.652 -10.890 4.185 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.097 -10.639 3.730 1.00 0.00 C ATOM 614 CD1 ILE A 45 -9.028 -11.750 5.261 1.00 0.00 C ATOM 0 H ILE A 45 -8.774 -8.935 5.080 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.204 -8.328 3.633 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.163 -10.499 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.857 -11.508 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.934 -10.130 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.199 -11.724 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.021 -10.175 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.897 -10.330 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.114 -12.205 4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.791 -11.133 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.728 -12.533 5.553 1.00 0.00 H new ATOM 626 N ALA A 46 -10.992 -8.112 6.924 1.00 0.00 N ATOM 627 CA ALA A 46 -11.638 -7.506 8.083 1.00 0.00 C ATOM 628 C ALA A 46 -11.791 -6.033 7.766 1.00 0.00 C ATOM 629 O ALA A 46 -12.620 -5.296 8.316 1.00 0.00 O ATOM 630 CB ALA A 46 -10.815 -7.722 9.344 1.00 0.00 C ATOM 0 H ALA A 46 -10.107 -8.581 7.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.609 -7.963 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.320 -7.260 10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.703 -8.791 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.831 -7.270 9.218 1.00 0.00 H new ATOM 636 N ALA A 47 -10.970 -5.649 6.813 1.00 0.00 N ATOM 637 CA ALA A 47 -10.912 -4.313 6.307 1.00 0.00 C ATOM 638 C ALA A 47 -12.167 -3.996 5.526 1.00 0.00 C ATOM 639 O ALA A 47 -12.778 -2.948 5.725 1.00 0.00 O ATOM 640 CB ALA A 47 -9.700 -4.189 5.416 1.00 0.00 C ATOM 0 H ALA A 47 -10.310 -6.282 6.362 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.838 -3.607 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.641 -3.175 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.801 -4.407 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.782 -4.896 4.590 1.00 0.00 H new ATOM 646 N VAL A 48 -12.565 -4.921 4.651 1.00 0.00 N ATOM 647 CA VAL A 48 -13.750 -4.722 3.826 1.00 0.00 C ATOM 648 C VAL A 48 -14.846 -4.096 4.642 1.00 0.00 C ATOM 649 O VAL A 48 -15.615 -3.270 4.153 1.00 0.00 O ATOM 650 CB VAL A 48 -14.284 -6.047 3.245 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.375 -5.782 2.218 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.162 -6.868 2.638 1.00 0.00 C ATOM 0 H VAL A 48 -12.086 -5.808 4.498 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.455 -4.071 3.003 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.716 -6.623 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.738 -6.730 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.199 -5.248 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.971 -5.179 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.567 -7.797 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.689 -6.301 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.422 -7.097 3.405 1.00 0.00 H new ATOM 662 N GLY A 49 -14.913 -4.500 5.888 1.00 0.00 N ATOM 663 CA GLY A 49 -15.935 -3.961 6.767 1.00 0.00 C ATOM 664 C GLY A 49 -15.580 -2.670 7.507 1.00 0.00 C ATOM 665 O GLY A 49 -16.477 -1.923 7.888 1.00 0.00 O ATOM 0 H GLY A 49 -14.289 -5.185 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.834 -3.781 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.186 -4.721 7.507 1.00 0.00 H new ATOM 669 N GLU A 50 -14.297 -2.371 7.690 1.00 0.00 N ATOM 670 CA GLU A 50 -13.916 -1.212 8.515 1.00 0.00 C ATOM 671 C GLU A 50 -13.494 0.114 7.850 1.00 0.00 C ATOM 672 O GLU A 50 -12.687 0.825 8.435 1.00 0.00 O ATOM 673 CB GLU A 50 -12.936 -1.632 9.589 1.00 0.00 C ATOM 674 CG GLU A 50 -13.670 -2.101 10.817 1.00 0.00 C ATOM 675 CD GLU A 50 -13.154 -1.463 12.093 1.00 0.00 C ATOM 676 OE1 GLU A 50 -12.222 -2.028 12.705 1.00 0.00 O ATOM 677 OE2 GLU A 50 -13.681 -0.400 12.481 1.00 0.00 O ATOM 0 H GLU A 50 -13.517 -2.895 7.293 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.881 -0.914 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.296 -2.430 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.286 -0.795 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.731 -1.876 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.580 -3.184 10.896 1.00 0.00 H new ATOM 684 N LEU A 51 -13.905 0.389 6.612 1.00 0.00 N ATOM 685 CA LEU A 51 -13.636 1.705 5.965 1.00 0.00 C ATOM 686 C LEU A 51 -12.601 1.609 4.887 1.00 0.00 C ATOM 687 O LEU A 51 -11.384 1.499 5.153 1.00 0.00 O ATOM 688 CB LEU A 51 -13.269 2.815 6.943 1.00 0.00 C ATOM 689 CG LEU A 51 -13.412 4.229 6.374 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.874 4.597 6.161 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.716 5.249 7.264 1.00 0.00 C ATOM 0 H LEU A 51 -14.423 -0.267 6.028 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.589 1.982 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.899 2.727 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.239 2.670 7.269 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.923 4.243 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.940 5.607 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.328 3.895 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.403 4.553 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.833 6.245 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.160 5.227 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.656 5.007 7.335 1.00 0.00 H new ATOM 703 N GLY A 52 -13.130 1.674 3.661 1.00 0.00 N ATOM 704 CA GLY A 52 -12.356 1.544 2.458 1.00 0.00 C ATOM 705 C GLY A 52 -11.426 0.399 2.586 1.00 0.00 C ATOM 706 O GLY A 52 -10.483 0.246 1.813 1.00 0.00 O ATOM 0 H GLY A 52 -14.125 1.821 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.016 1.395 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.796 2.461 2.273 1.00 0.00 H new ATOM 710 N LEU A 53 -11.743 -0.398 3.595 1.00 0.00 N ATOM 711 CA LEU A 53 -11.014 -1.571 3.964 1.00 0.00 C ATOM 712 C LEU A 53 -10.052 -1.206 5.078 1.00 0.00 C ATOM 713 O LEU A 53 -8.850 -1.446 4.962 1.00 0.00 O ATOM 714 CB LEU A 53 -10.283 -2.228 2.783 1.00 0.00 C ATOM 715 CG LEU A 53 -11.128 -2.618 1.553 1.00 0.00 C ATOM 716 CD1 LEU A 53 -10.898 -4.076 1.176 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.610 -2.353 1.783 1.00 0.00 C ATOM 0 H LEU A 53 -12.550 -0.226 4.194 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.725 -2.321 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.499 -1.547 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.789 -3.127 3.151 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.803 -1.990 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.505 -4.327 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.845 -4.229 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.180 -4.717 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.173 -2.640 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.956 -2.936 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.763 -1.292 1.983 1.00 0.00 H new ATOM 729 N ASP A 54 -10.602 -0.616 6.167 1.00 0.00 N ATOM 730 CA ASP A 54 -9.794 -0.198 7.310 1.00 0.00 C ATOM 731 C ASP A 54 -8.346 -0.204 6.931 1.00 0.00 C ATOM 732 O ASP A 54 -7.727 -1.259 6.922 1.00 0.00 O ATOM 733 CB ASP A 54 -9.980 -1.146 8.484 1.00 0.00 C ATOM 734 CG ASP A 54 -9.914 -0.440 9.825 1.00 0.00 C ATOM 735 OD1 ASP A 54 -9.910 0.810 9.842 1.00 0.00 O ATOM 736 OD2 ASP A 54 -9.867 -1.138 10.860 1.00 0.00 O ATOM 0 H ASP A 54 -11.599 -0.425 6.266 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.114 0.803 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.942 -1.649 8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.212 -1.918 8.447 1.00 0.00 H new ATOM 741 N VAL A 55 -7.804 0.944 6.588 1.00 0.00 N ATOM 742 CA VAL A 55 -6.398 0.975 6.185 1.00 0.00 C ATOM 743 C VAL A 55 -5.517 0.097 7.069 1.00 0.00 C ATOM 744 O VAL A 55 -4.719 -0.671 6.527 1.00 0.00 O ATOM 745 CB VAL A 55 -5.787 2.388 6.083 1.00 0.00 C ATOM 746 CG1 VAL A 55 -5.025 2.782 7.347 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.879 2.443 4.863 1.00 0.00 C ATOM 0 H VAL A 55 -8.286 1.843 6.576 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.414 0.566 5.175 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.598 3.109 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.614 3.784 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.703 2.768 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.213 2.075 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.441 3.438 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.085 1.704 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.460 2.227 3.967 1.00 0.00 H new ATOM 757 N PRO A 56 -5.652 0.154 8.429 1.00 0.00 N ATOM 758 CA PRO A 56 -4.822 -0.664 9.311 1.00 0.00 C ATOM 759 C PRO A 56 -4.963 -2.128 8.964 1.00 0.00 C ATOM 760 O PRO A 56 -4.152 -2.962 9.368 1.00 0.00 O ATOM 761 CB PRO A 56 -5.366 -0.387 10.719 1.00 0.00 C ATOM 762 CG PRO A 56 -6.713 0.210 10.505 1.00 0.00 C ATOM 763 CD PRO A 56 -6.624 0.957 9.207 1.00 0.00 C ATOM 0 HA PRO A 56 -3.762 -0.425 9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.430 -1.304 11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.715 0.295 11.266 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.481 -0.562 10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.980 0.878 11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.591 1.016 8.708 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.278 1.980 9.353 1.00 0.00 H new ATOM 771 N LEU A 57 -6.044 -2.442 8.266 1.00 0.00 N ATOM 772 CA LEU A 57 -6.290 -3.793 7.835 1.00 0.00 C ATOM 773 C LEU A 57 -5.848 -4.052 6.389 1.00 0.00 C ATOM 774 O LEU A 57 -4.903 -4.794 6.159 1.00 0.00 O ATOM 775 CB LEU A 57 -7.760 -4.159 8.012 1.00 0.00 C ATOM 776 CG LEU A 57 -8.316 -3.996 9.432 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.772 -4.421 9.486 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.495 -4.799 10.431 1.00 0.00 C ATOM 0 H LEU A 57 -6.761 -1.772 7.990 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.680 -4.433 8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.353 -3.544 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.898 -5.195 7.704 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.250 -2.942 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.149 -4.298 10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.357 -3.803 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.857 -5.467 9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.909 -4.668 11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.525 -5.855 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.462 -4.451 10.417 1.00 0.00 H new ATOM 790 N ASP A 58 -6.536 -3.425 5.424 1.00 0.00 N ATOM 791 CA ASP A 58 -6.265 -3.650 3.993 1.00 0.00 C ATOM 792 C ASP A 58 -4.981 -3.067 3.460 1.00 0.00 C ATOM 793 O ASP A 58 -4.134 -3.809 2.983 1.00 0.00 O ATOM 794 CB ASP A 58 -7.398 -3.106 3.158 1.00 0.00 C ATOM 795 CG ASP A 58 -7.111 -3.157 1.670 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.227 -3.937 1.265 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.768 -2.414 0.913 1.00 0.00 O ATOM 0 H ASP A 58 -7.285 -2.757 5.607 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.165 -4.733 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.303 -3.675 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.595 -2.074 3.450 1.00 0.00 H new ATOM 802 N LEU A 59 -4.833 -1.759 3.492 1.00 0.00 N ATOM 803 CA LEU A 59 -3.634 -1.172 2.940 1.00 0.00 C ATOM 804 C LEU A 59 -2.487 -1.495 3.822 1.00 0.00 C ATOM 805 O LEU A 59 -1.347 -1.262 3.482 1.00 0.00 O ATOM 806 CB LEU A 59 -3.768 0.304 2.660 1.00 0.00 C ATOM 807 CG LEU A 59 -3.963 0.607 1.178 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.657 0.500 0.445 1.00 0.00 C ATOM 809 CD2 LEU A 59 -4.972 -0.349 0.552 1.00 0.00 C ATOM 0 H LEU A 59 -5.507 -1.100 3.882 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.454 -1.611 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.613 0.701 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.877 0.820 3.018 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.344 1.625 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.814 0.719 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.946 1.213 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.262 -0.510 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.092 -0.111 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.615 -1.374 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.932 -0.247 1.058 1.00 0.00 H new ATOM 821 N ALA A 60 -2.834 -1.949 4.997 1.00 0.00 N ATOM 822 CA ALA A 60 -1.865 -2.394 5.959 1.00 0.00 C ATOM 823 C ALA A 60 -1.556 -3.845 5.642 1.00 0.00 C ATOM 824 O ALA A 60 -0.458 -4.329 5.882 1.00 0.00 O ATOM 825 CB ALA A 60 -2.403 -2.233 7.356 1.00 0.00 C ATOM 0 H ALA A 60 -3.801 -2.020 5.314 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.953 -1.800 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.658 -2.574 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.630 -1.183 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.311 -2.825 7.467 1.00 0.00 H new ATOM 831 N CYS A 61 -2.571 -4.533 5.108 1.00 0.00 N ATOM 832 CA CYS A 61 -2.427 -5.911 4.656 1.00 0.00 C ATOM 833 C CYS A 61 -1.581 -5.848 3.396 1.00 0.00 C ATOM 834 O CYS A 61 -0.722 -6.691 3.113 1.00 0.00 O ATOM 835 CB CYS A 61 -3.804 -6.522 4.342 1.00 0.00 C ATOM 836 SG CYS A 61 -3.763 -7.983 3.254 1.00 0.00 S ATOM 0 H CYS A 61 -3.507 -4.149 4.980 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.965 -6.535 5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.285 -6.799 5.280 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.427 -5.758 3.877 1.00 0.00 H new ATOM 841 N ALA A 62 -1.818 -4.770 2.670 1.00 0.00 N ATOM 842 CA ALA A 62 -1.131 -4.499 1.438 1.00 0.00 C ATOM 843 C ALA A 62 0.227 -3.864 1.716 1.00 0.00 C ATOM 844 O ALA A 62 1.221 -4.209 1.072 1.00 0.00 O ATOM 845 CB ALA A 62 -2.001 -3.618 0.559 1.00 0.00 C ATOM 0 H ALA A 62 -2.500 -4.057 2.929 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.946 -5.432 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.481 -3.411 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.940 -4.129 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.207 -2.680 1.075 1.00 0.00 H new ATOM 851 N ALA A 63 0.264 -2.941 2.686 1.00 0.00 N ATOM 852 CA ALA A 63 1.508 -2.286 3.075 1.00 0.00 C ATOM 853 C ALA A 63 2.400 -3.313 3.704 1.00 0.00 C ATOM 854 O ALA A 63 3.620 -3.268 3.576 1.00 0.00 O ATOM 855 CB ALA A 63 1.272 -1.151 4.053 1.00 0.00 C ATOM 0 H ALA A 63 -0.555 -2.635 3.212 1.00 0.00 H new ATOM 0 HA ALA A 63 1.969 -1.856 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.225 -0.692 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.624 -0.404 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.797 -1.540 4.954 1.00 0.00 H new ATOM 861 N THR A 64 1.767 -4.257 4.385 1.00 0.00 N ATOM 862 CA THR A 64 2.508 -5.336 5.001 1.00 0.00 C ATOM 863 C THR A 64 2.931 -6.282 3.899 1.00 0.00 C ATOM 864 O THR A 64 3.358 -7.407 4.155 1.00 0.00 O ATOM 865 CB THR A 64 1.723 -6.105 6.107 1.00 0.00 C ATOM 866 OG1 THR A 64 2.641 -6.838 6.925 1.00 0.00 O ATOM 867 CG2 THR A 64 0.688 -7.074 5.534 1.00 0.00 C ATOM 0 H THR A 64 0.757 -4.295 4.521 1.00 0.00 H new ATOM 0 HA THR A 64 3.364 -4.903 5.518 1.00 0.00 H new ATOM 0 HB THR A 64 1.188 -5.358 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.283 -7.310 6.354 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.173 -7.581 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.036 -6.521 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.188 -7.812 4.907 1.00 0.00 H new ATOM 875 N ALA A 65 2.802 -5.804 2.650 1.00 0.00 N ATOM 876 CA ALA A 65 3.150 -6.620 1.510 1.00 0.00 C ATOM 877 C ALA A 65 3.322 -5.851 0.181 1.00 0.00 C ATOM 878 O ALA A 65 4.354 -5.244 -0.044 1.00 0.00 O ATOM 879 CB ALA A 65 2.116 -7.693 1.369 1.00 0.00 C ATOM 0 H ALA A 65 2.463 -4.869 2.422 1.00 0.00 H new ATOM 0 HA ALA A 65 4.138 -7.036 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.359 -8.322 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.098 -8.302 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.137 -7.238 1.218 1.00 0.00 H new ATOM 885 N THR A 66 2.318 -5.900 -0.713 1.00 0.00 N ATOM 886 CA THR A 66 2.453 -5.274 -2.045 1.00 0.00 C ATOM 887 C THR A 66 2.221 -3.776 -2.060 1.00 0.00 C ATOM 888 O THR A 66 2.984 -3.061 -2.699 1.00 0.00 O ATOM 889 CB THR A 66 1.536 -5.899 -3.112 1.00 0.00 C ATOM 890 OG1 THR A 66 0.272 -5.242 -3.108 1.00 0.00 O ATOM 891 CG2 THR A 66 1.342 -7.385 -2.884 1.00 0.00 C ATOM 0 H THR A 66 1.421 -6.356 -0.545 1.00 0.00 H new ATOM 0 HA THR A 66 3.496 -5.471 -2.291 1.00 0.00 H new ATOM 0 HB THR A 66 2.017 -5.769 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.033 -4.987 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.689 -7.790 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.308 -7.888 -2.925 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.889 -7.547 -1.906 1.00 0.00 H new ATOM 899 N SER A 67 1.174 -3.274 -1.401 1.00 0.00 N ATOM 900 CA SER A 67 0.966 -1.819 -1.407 1.00 0.00 C ATOM 901 C SER A 67 2.289 -1.208 -1.039 1.00 0.00 C ATOM 902 O SER A 67 2.605 -0.061 -1.353 1.00 0.00 O ATOM 903 CB SER A 67 -0.113 -1.354 -0.452 1.00 0.00 C ATOM 904 OG SER A 67 -0.125 0.057 -0.389 1.00 0.00 O ATOM 0 H SER A 67 0.487 -3.818 -0.880 1.00 0.00 H new ATOM 0 HA SER A 67 0.620 -1.509 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.085 -1.720 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.064 -1.769 0.540 1.00 0.00 H new ATOM 0 HG SER A 67 -0.152 0.342 0.548 1.00 0.00 H new ATOM 910 N SER A 68 3.027 -2.035 -0.319 1.00 0.00 N ATOM 911 CA SER A 68 4.374 -1.808 0.063 1.00 0.00 C ATOM 912 C SER A 68 4.601 -0.768 1.120 1.00 0.00 C ATOM 913 O SER A 68 4.480 0.431 0.898 1.00 0.00 O ATOM 914 CB SER A 68 5.264 -1.543 -1.142 1.00 0.00 C ATOM 915 OG SER A 68 4.518 -1.225 -2.301 1.00 0.00 O ATOM 0 H SER A 68 2.666 -2.925 0.024 1.00 0.00 H new ATOM 0 HA SER A 68 4.657 -2.748 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.945 -0.723 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.878 -2.422 -1.338 1.00 0.00 H new ATOM 0 HG SER A 68 4.288 -0.272 -2.291 1.00 0.00 H new ATOM 921 N ALA A 69 4.943 -1.289 2.276 1.00 0.00 N ATOM 922 CA ALA A 69 5.312 -0.494 3.431 1.00 0.00 C ATOM 923 C ALA A 69 5.369 -1.372 4.666 1.00 0.00 C ATOM 924 O ALA A 69 4.861 -1.020 5.730 1.00 0.00 O ATOM 925 CB ALA A 69 4.376 0.682 3.644 1.00 0.00 C ATOM 0 H ALA A 69 4.974 -2.294 2.446 1.00 0.00 H new ATOM 0 HA ALA A 69 6.301 -0.076 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.694 1.246 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.400 1.329 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.361 0.316 3.797 1.00 0.00 H new ATOM 931 N THR A 70 5.998 -2.525 4.502 1.00 0.00 N ATOM 932 CA THR A 70 6.133 -3.487 5.579 1.00 0.00 C ATOM 933 C THR A 70 7.490 -3.354 6.256 1.00 0.00 C ATOM 934 O THR A 70 8.491 -3.898 5.792 1.00 0.00 O ATOM 935 CB THR A 70 5.942 -4.931 5.071 1.00 0.00 C ATOM 936 OG1 THR A 70 6.862 -5.812 5.724 1.00 0.00 O ATOM 937 CG2 THR A 70 6.127 -5.010 3.562 1.00 0.00 C ATOM 0 H THR A 70 6.426 -2.817 3.624 1.00 0.00 H new ATOM 0 HA THR A 70 5.350 -3.272 6.307 1.00 0.00 H new ATOM 0 HB THR A 70 4.923 -5.239 5.307 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.902 -6.662 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.987 -6.039 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.395 -4.368 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.132 -4.679 3.301 1.00 0.00 H new ATOM 945 N GLU A 71 7.505 -2.620 7.358 1.00 0.00 N ATOM 946 CA GLU A 71 8.720 -2.397 8.130 1.00 0.00 C ATOM 947 C GLU A 71 9.258 -3.710 8.685 1.00 0.00 C ATOM 948 O GLU A 71 10.316 -3.751 9.313 1.00 0.00 O ATOM 949 CB GLU A 71 8.419 -1.396 9.250 1.00 0.00 C ATOM 950 CG GLU A 71 9.536 -1.231 10.272 1.00 0.00 C ATOM 951 CD GLU A 71 9.272 -0.097 11.245 1.00 0.00 C ATOM 952 OE1 GLU A 71 8.471 -0.294 12.182 1.00 0.00 O ATOM 953 OE2 GLU A 71 9.865 0.987 11.067 1.00 0.00 O ATOM 0 H GLU A 71 6.678 -2.163 7.742 1.00 0.00 H new ATOM 0 HA GLU A 71 9.494 -1.984 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.207 -0.425 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.514 -1.713 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.656 -2.161 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.476 -1.047 9.751 1.00 0.00 H new ATOM 960 N ALA A 72 8.532 -4.791 8.428 1.00 0.00 N ATOM 961 CA ALA A 72 8.936 -6.099 8.909 1.00 0.00 C ATOM 962 C ALA A 72 9.752 -6.868 7.869 1.00 0.00 C ATOM 963 O ALA A 72 10.686 -7.590 8.221 1.00 0.00 O ATOM 964 CB ALA A 72 7.719 -6.905 9.334 1.00 0.00 C ATOM 0 H ALA A 72 7.665 -4.785 7.891 1.00 0.00 H new ATOM 0 HA ALA A 72 9.581 -5.944 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.038 -7.884 9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.195 -6.379 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.050 -7.031 8.482 1.00 0.00 H new ATOM 970 N CYS A 73 9.405 -6.717 6.589 1.00 0.00 N ATOM 971 CA CYS A 73 10.124 -7.417 5.522 1.00 0.00 C ATOM 972 C CYS A 73 10.937 -6.453 4.701 1.00 0.00 C ATOM 973 O CYS A 73 11.644 -6.860 3.779 1.00 0.00 O ATOM 974 CB CYS A 73 9.164 -8.105 4.556 1.00 0.00 C ATOM 975 SG CYS A 73 7.746 -8.930 5.336 1.00 0.00 S ATOM 0 H CYS A 73 8.640 -6.124 6.268 1.00 0.00 H new ATOM 0 HA CYS A 73 10.761 -8.150 6.017 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.790 -7.363 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.721 -8.843 3.978 1.00 0.00 H new ATOM 980 N LYS A 74 10.851 -5.182 5.030 1.00 0.00 N ATOM 981 CA LYS A 74 11.524 -4.193 4.232 1.00 0.00 C ATOM 982 C LYS A 74 13.033 -4.247 4.275 1.00 0.00 C ATOM 983 O LYS A 74 13.653 -5.294 4.093 1.00 0.00 O ATOM 984 CB LYS A 74 11.045 -2.781 4.526 1.00 0.00 C ATOM 985 CG LYS A 74 11.263 -1.861 3.333 1.00 0.00 C ATOM 986 CD LYS A 74 12.376 -0.846 3.558 1.00 0.00 C ATOM 987 CE LYS A 74 12.644 0.010 2.335 1.00 0.00 C ATOM 988 NZ LYS A 74 13.355 1.271 2.679 1.00 0.00 N ATOM 0 H LYS A 74 10.331 -4.819 5.829 1.00 0.00 H new ATOM 0 HA LYS A 74 11.241 -4.462 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.986 -2.801 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.577 -2.388 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.500 -2.463 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.335 -1.332 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.111 -0.202 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.290 -1.371 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.239 -0.557 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.699 0.249 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.140 1.996 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.042 1.602 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.380 1.097 2.698 1.00 0.00 H new ATOM 1002 N GLY A 75 13.602 -3.090 4.523 1.00 0.00 N ATOM 1003 CA GLY A 75 15.015 -2.930 4.460 1.00 0.00 C ATOM 1004 C GLY A 75 15.373 -2.976 2.998 1.00 0.00 C ATOM 1005 O GLY A 75 16.515 -3.248 2.624 1.00 0.00 O ATOM 0 H GLY A 75 13.091 -2.243 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.321 -1.984 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.522 -3.722 5.011 1.00 0.00 H new ATOM 1009 N CYS A 76 14.350 -2.698 2.160 1.00 0.00 N ATOM 1010 CA CYS A 76 14.504 -2.762 0.726 1.00 0.00 C ATOM 1011 C CYS A 76 13.415 -2.018 -0.079 1.00 0.00 C ATOM 1012 O CYS A 76 13.699 -1.022 -0.741 1.00 0.00 O ATOM 1013 CB CYS A 76 14.442 -4.231 0.311 1.00 0.00 C ATOM 1014 SG CYS A 76 16.037 -5.106 0.276 1.00 0.00 S ATOM 0 H CYS A 76 13.417 -2.429 2.471 1.00 0.00 H new ATOM 0 HA CYS A 76 15.454 -2.276 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.775 -4.755 0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.993 -4.291 -0.680 1.00 0.00 H new ATOM 1019 N LEU A 77 12.165 -2.490 0.021 1.00 0.00 N ATOM 1020 CA LEU A 77 11.065 -2.006 -0.843 1.00 0.00 C ATOM 1021 C LEU A 77 10.116 -0.904 -0.326 1.00 0.00 C ATOM 1022 O LEU A 77 9.525 -0.228 -1.164 1.00 0.00 O ATOM 1023 CB LEU A 77 10.206 -3.216 -1.201 1.00 0.00 C ATOM 1024 CG LEU A 77 9.021 -2.951 -2.134 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.498 -2.391 -3.453 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.230 -4.221 -2.368 1.00 0.00 C ATOM 0 H LEU A 77 11.884 -3.207 0.690 1.00 0.00 H new ATOM 0 HA LEU A 77 11.587 -1.518 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.847 -3.966 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.824 -3.651 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 77 8.372 -2.218 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.641 -2.209 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.028 -1.454 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.170 -3.105 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.393 -4.011 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.875 -4.973 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.852 -4.595 -1.416 1.00 0.00 H new ATOM 1038 N TRP A 78 9.955 -0.711 0.988 1.00 0.00 N ATOM 1039 CA TRP A 78 8.980 0.288 1.518 1.00 0.00 C ATOM 1040 C TRP A 78 8.297 1.099 0.420 1.00 0.00 C ATOM 1041 O TRP A 78 7.113 0.823 0.135 1.00 0.00 O ATOM 1042 CB TRP A 78 9.594 1.249 2.549 1.00 0.00 C ATOM 1043 CG TRP A 78 9.509 0.746 3.952 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.655 -0.196 4.437 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.322 1.151 5.047 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.913 -0.433 5.758 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.932 0.389 6.158 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.350 2.075 5.190 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.539 0.520 7.393 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.954 2.213 6.422 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.550 1.434 7.512 1.00 0.00 C ATOM 1052 OXT TRP A 78 8.946 1.998 -0.147 1.00 0.00 O ATOM 0 H TRP A 78 10.472 -1.218 1.706 1.00 0.00 H new ATOM 0 HA TRP A 78 8.227 -0.319 2.021 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.640 1.422 2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 78 9.087 2.212 2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.884 -0.686 3.861 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.427 -1.109 6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.670 2.675 4.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.226 -0.079 8.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.750 2.932 6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 78 12.045 1.556 8.464 1.00 0.00 H new ATOM 1109 N SER B 4 6.922 10.158 1.714 1.00 0.00 N ATOM 1110 CA SER B 4 7.564 8.882 2.004 1.00 0.00 C ATOM 1111 C SER B 4 6.605 7.742 1.730 1.00 0.00 C ATOM 1112 O SER B 4 5.486 7.969 1.290 1.00 0.00 O ATOM 1113 CB SER B 4 8.005 8.827 3.464 1.00 0.00 C ATOM 1114 OG SER B 4 8.915 9.870 3.769 1.00 0.00 O ATOM 0 HA SER B 4 8.439 8.785 1.361 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.132 8.903 4.112 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.472 7.863 3.669 1.00 0.00 H new ATOM 0 HG SER B 4 8.730 10.644 3.197 1.00 0.00 H new ATOM 1120 N VAL B 5 7.044 6.516 1.979 1.00 0.00 N ATOM 1121 CA VAL B 5 6.186 5.362 1.767 1.00 0.00 C ATOM 1122 C VAL B 5 5.207 5.218 2.933 1.00 0.00 C ATOM 1123 O VAL B 5 3.999 5.131 2.730 1.00 0.00 O ATOM 1124 CB VAL B 5 6.998 4.056 1.570 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.464 4.367 1.291 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.843 3.107 2.760 1.00 0.00 C ATOM 0 H VAL B 5 7.979 6.297 2.324 1.00 0.00 H new ATOM 0 HA VAL B 5 5.627 5.530 0.846 1.00 0.00 H new ATOM 0 HB VAL B 5 6.592 3.542 0.699 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.014 3.436 1.156 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.542 4.969 0.386 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.885 4.919 2.131 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.427 2.204 2.584 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.199 3.598 3.666 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.792 2.842 2.880 1.00 0.00 H new ATOM 1136 N GLY B 6 5.741 5.206 4.157 1.00 0.00 N ATOM 1137 CA GLY B 6 4.900 5.079 5.334 1.00 0.00 C ATOM 1138 C GLY B 6 4.036 6.305 5.534 1.00 0.00 C ATOM 1139 O GLY B 6 2.842 6.199 5.826 1.00 0.00 O ATOM 0 H GLY B 6 6.740 5.282 4.351 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.266 4.198 5.236 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.525 4.926 6.214 1.00 0.00 H new ATOM 1143 N ASP B 7 4.643 7.476 5.372 1.00 0.00 N ATOM 1144 CA ASP B 7 3.918 8.730 5.507 1.00 0.00 C ATOM 1145 C ASP B 7 2.827 8.784 4.459 1.00 0.00 C ATOM 1146 O ASP B 7 1.722 9.267 4.712 1.00 0.00 O ATOM 1147 CB ASP B 7 4.862 9.918 5.332 1.00 0.00 C ATOM 1148 CG ASP B 7 5.959 9.948 6.378 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.844 9.067 6.338 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.932 10.851 7.241 1.00 0.00 O ATOM 0 H ASP B 7 5.632 7.581 5.148 1.00 0.00 H new ATOM 0 HA ASP B 7 3.480 8.784 6.504 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.312 9.877 4.340 1.00 0.00 H new ATOM 0 HB3 ASP B 7 4.289 10.844 5.385 1.00 0.00 H new ATOM 1155 N ALA B 8 3.156 8.283 3.273 1.00 0.00 N ATOM 1156 CA ALA B 8 2.213 8.239 2.178 1.00 0.00 C ATOM 1157 C ALA B 8 0.937 7.574 2.632 1.00 0.00 C ATOM 1158 O ALA B 8 -0.153 8.058 2.356 1.00 0.00 O ATOM 1159 CB ALA B 8 2.783 7.468 1.008 1.00 0.00 C ATOM 0 H ALA B 8 4.076 7.901 3.052 1.00 0.00 H new ATOM 0 HA ALA B 8 2.009 9.262 1.861 1.00 0.00 H new ATOM 0 HB1 ALA B 8 2.056 7.448 0.196 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.697 7.952 0.664 1.00 0.00 H new ATOM 0 HB3 ALA B 8 3.007 6.448 1.319 1.00 0.00 H new ATOM 1165 N PHE B 9 1.087 6.449 3.332 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.051 5.712 3.824 1.00 0.00 C ATOM 1167 C PHE B 9 -0.971 6.612 4.642 1.00 0.00 C ATOM 1168 O PHE B 9 -2.140 6.713 4.339 1.00 0.00 O ATOM 1169 CB PHE B 9 0.392 4.481 4.602 1.00 0.00 C ATOM 1170 CG PHE B 9 0.564 3.308 3.696 1.00 0.00 C ATOM 1171 CD1 PHE B 9 1.776 3.090 3.076 1.00 0.00 C ATOM 1172 CD2 PHE B 9 -0.484 2.438 3.441 1.00 0.00 C ATOM 1173 CE1 PHE B 9 1.949 2.031 2.218 1.00 0.00 C ATOM 1174 CE2 PHE B 9 -0.314 1.378 2.576 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.905 1.176 1.965 1.00 0.00 C ATOM 0 H PHE B 9 1.991 6.037 3.565 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.628 5.358 2.969 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.331 4.689 5.115 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.346 4.247 5.370 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.601 3.761 3.267 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -1.439 2.591 3.922 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.906 1.871 1.743 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -1.136 0.706 2.377 1.00 0.00 H new ATOM 0 HZ PHE B 9 1.039 0.346 1.288 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.436 7.343 5.615 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.285 8.210 6.442 1.00 0.00 C ATOM 1187 C ASP B 10 -2.269 8.971 5.556 1.00 0.00 C ATOM 1188 O ASP B 10 -3.488 8.959 5.782 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.429 9.195 7.241 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.264 10.111 8.113 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.531 9.742 9.276 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.652 11.198 7.634 1.00 0.00 O ATOM 0 H ASP B 10 0.556 7.358 5.851 1.00 0.00 H new ATOM 0 HA ASP B 10 -1.842 7.588 7.143 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.270 8.640 7.867 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.166 9.796 6.553 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.725 9.599 4.527 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.519 10.351 3.557 1.00 0.00 C ATOM 1199 C LYS B 11 -3.431 9.388 2.798 1.00 0.00 C ATOM 1200 O LYS B 11 -4.635 9.600 2.664 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.575 11.062 2.588 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.127 12.361 2.021 1.00 0.00 C ATOM 1203 CD LYS B 11 -3.352 12.117 1.158 1.00 0.00 C ATOM 1204 CE LYS B 11 -3.977 13.423 0.698 1.00 0.00 C ATOM 1205 NZ LYS B 11 -5.150 13.196 -0.192 1.00 0.00 N ATOM 0 H LYS B 11 -0.723 9.605 4.337 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.134 11.092 4.067 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.637 11.272 3.101 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.343 10.388 1.763 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.385 13.035 2.838 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.357 12.857 1.430 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.074 11.520 0.290 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -4.086 11.539 1.720 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -4.288 14.002 1.567 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -3.230 14.016 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -5.547 14.112 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -4.849 12.665 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -5.874 12.652 0.320 1.00 0.00 H new ATOM 1219 N TYR B 12 -2.804 8.334 2.310 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.446 7.252 1.577 1.00 0.00 C ATOM 1221 C TYR B 12 -4.720 6.796 2.269 1.00 0.00 C ATOM 1222 O TYR B 12 -5.819 6.934 1.745 1.00 0.00 O ATOM 1223 CB TYR B 12 -2.466 6.081 1.601 1.00 0.00 C ATOM 1224 CG TYR B 12 -2.202 5.365 0.306 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -1.796 6.055 -0.829 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -2.300 3.979 0.239 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -1.509 5.385 -2.001 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -2.002 3.309 -0.926 1.00 0.00 C ATOM 1229 CZ TYR B 12 -1.612 4.011 -2.039 1.00 0.00 C ATOM 1230 OH TYR B 12 -1.332 3.329 -3.196 1.00 0.00 O ATOM 0 H TYR B 12 -1.798 8.200 2.415 1.00 0.00 H new ATOM 0 HA TYR B 12 -3.698 7.586 0.571 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -1.513 6.449 1.981 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.835 5.349 2.320 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -1.704 7.130 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -2.613 3.423 1.110 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -1.206 5.933 -2.881 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -2.075 2.232 -0.964 1.00 0.00 H new ATOM 0 HH TYR B 12 -2.076 3.432 -3.825 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.525 6.294 3.482 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.581 5.737 4.309 1.00 0.00 C ATOM 1242 C ASN B 13 -6.837 6.577 4.308 1.00 0.00 C ATOM 1243 O ASN B 13 -7.897 6.117 3.891 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.097 5.612 5.748 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.620 5.263 5.884 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.037 4.637 4.861 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -3.001 5.564 6.905 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.607 6.263 3.925 1.00 0.00 H new ATOM 0 HA ASN B 13 -5.824 4.763 3.884 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.285 6.553 6.265 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.687 4.847 6.252 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.479 6.043 7.669 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -2.011 5.335 6.987 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.723 7.803 4.788 1.00 0.00 N ATOM 1255 CA GLU B 14 -7.874 8.685 4.847 1.00 0.00 C ATOM 1256 C GLU B 14 -8.572 8.722 3.487 1.00 0.00 C ATOM 1257 O GLU B 14 -9.800 8.682 3.392 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.432 10.090 5.274 1.00 0.00 C ATOM 1259 CG GLU B 14 -6.944 10.952 4.125 1.00 0.00 C ATOM 1260 CD GLU B 14 -8.020 11.873 3.584 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -8.247 12.939 4.191 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -8.636 11.526 2.553 1.00 0.00 O ATOM 0 H GLU B 14 -5.855 8.207 5.139 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.582 8.308 5.585 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.267 10.591 5.763 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.636 10.002 6.014 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.095 11.549 4.459 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.585 10.309 3.321 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.759 8.721 2.440 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.240 8.792 1.071 1.00 0.00 C ATOM 1271 C ALA B 15 -8.907 7.509 0.609 1.00 0.00 C ATOM 1272 O ALA B 15 -9.890 7.544 -0.132 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.070 9.112 0.148 1.00 0.00 C ATOM 0 H ALA B 15 -6.743 8.671 2.519 1.00 0.00 H new ATOM 0 HA ALA B 15 -8.996 9.576 1.034 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.423 9.167 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.633 10.069 0.433 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.316 8.329 0.232 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.394 6.377 1.049 1.00 0.00 N ATOM 1280 CA VAL B 16 -8.924 5.118 0.591 1.00 0.00 C ATOM 1281 C VAL B 16 -10.065 4.629 1.424 1.00 0.00 C ATOM 1282 O VAL B 16 -11.120 4.268 0.903 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.841 4.043 0.495 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.867 4.163 1.657 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.473 2.658 0.432 1.00 0.00 C ATOM 0 H VAL B 16 -7.623 6.307 1.713 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.310 5.311 -0.410 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.276 4.192 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.103 3.390 1.573 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.394 5.145 1.635 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.405 4.040 2.597 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.689 1.903 0.364 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.065 2.487 1.331 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.118 2.592 -0.444 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.847 4.598 2.710 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.852 4.129 3.610 1.00 0.00 C ATOM 1297 C ARG B 17 -12.169 4.787 3.334 1.00 0.00 C ATOM 1298 O ARG B 17 -13.228 4.151 3.386 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.375 4.298 5.045 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.108 3.516 5.341 1.00 0.00 C ATOM 1301 CD ARG B 17 -8.958 2.297 4.446 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.652 2.205 3.878 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.369 1.370 2.925 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.175 0.365 2.646 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.261 1.511 2.275 1.00 0.00 N ATOM 0 H ARG B 17 -8.978 4.894 3.155 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.019 3.063 3.454 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.198 5.355 5.242 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.163 3.975 5.725 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.244 4.167 5.211 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.115 3.199 6.384 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.166 1.396 5.023 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.698 2.341 3.647 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.916 2.816 4.233 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.033 0.236 3.182 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.940 -0.284 1.895 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.623 2.270 2.513 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.025 0.863 1.524 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.113 6.035 2.971 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.320 6.725 2.666 1.00 0.00 C ATOM 1321 C VAL B 18 -13.827 6.303 1.297 1.00 0.00 C ATOM 1322 O VAL B 18 -14.998 6.026 1.138 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.120 8.248 2.705 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.573 8.659 4.062 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.192 8.696 1.582 1.00 0.00 C ATOM 0 H VAL B 18 -11.258 6.583 2.881 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.059 6.463 3.424 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.082 8.738 2.555 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.433 9.740 4.086 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.277 8.367 4.842 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.617 8.165 4.234 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.063 9.777 1.626 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.223 8.210 1.695 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.626 8.422 0.620 1.00 0.00 H new ATOM 1335 N PHE B 19 -12.922 6.143 0.338 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.327 5.833 -1.024 1.00 0.00 C ATOM 1337 C PHE B 19 -13.984 4.448 -1.192 1.00 0.00 C ATOM 1338 O PHE B 19 -15.042 4.330 -1.840 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.135 6.104 -1.994 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.178 4.979 -2.351 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.602 3.704 -2.652 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -9.820 5.243 -2.419 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.702 2.715 -2.995 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -8.913 4.258 -2.756 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.355 2.990 -3.042 1.00 0.00 C ATOM 0 H PHE B 19 -11.915 6.222 0.478 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.139 6.507 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.555 6.481 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.542 6.910 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.657 3.474 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.463 6.239 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.057 1.722 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -7.858 4.485 -2.795 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.650 2.214 -3.302 1.00 0.00 H new ATOM 1355 N THR B 20 -13.448 3.405 -0.565 1.00 0.00 N ATOM 1356 CA THR B 20 -14.025 2.091 -0.792 1.00 0.00 C ATOM 1357 C THR B 20 -15.277 1.839 0.026 1.00 0.00 C ATOM 1358 O THR B 20 -16.292 1.427 -0.537 1.00 0.00 O ATOM 1359 CB THR B 20 -13.027 0.950 -0.593 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.122 0.912 -1.684 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.750 -0.375 -0.478 1.00 0.00 C ATOM 0 H THR B 20 -12.654 3.440 0.074 1.00 0.00 H new ATOM 0 HA THR B 20 -14.311 2.101 -1.844 1.00 0.00 H new ATOM 0 HB THR B 20 -12.475 1.125 0.331 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.600 1.741 -1.705 1.00 0.00 H new ATOM 0 HG21 THR B 20 -13.023 -1.175 -0.337 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.428 -0.346 0.375 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.320 -0.559 -1.389 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.246 2.068 1.339 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.453 1.824 2.101 1.00 0.00 C ATOM 1371 C GLN B 21 -17.524 2.790 1.647 1.00 0.00 C ATOM 1372 O GLN B 21 -18.690 2.631 1.976 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.228 1.878 3.609 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.814 0.522 4.205 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.490 -0.656 3.538 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.856 -1.178 2.492 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.562 -1.091 3.955 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.441 2.404 1.868 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.783 0.804 1.905 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.457 2.616 3.829 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.142 2.218 4.095 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.733 0.409 4.118 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.050 0.513 5.269 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -18.010 -0.656 4.762 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -18.003 -1.887 3.494 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.127 3.807 0.885 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.107 4.719 0.337 1.00 0.00 C ATOM 1388 C LEU B 22 -19.033 3.893 -0.520 1.00 0.00 C ATOM 1389 O LEU B 22 -20.253 4.026 -0.447 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.465 5.827 -0.510 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.167 7.159 0.204 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.942 8.288 -0.447 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.473 7.100 1.703 1.00 0.00 C ATOM 0 H LEU B 22 -16.158 4.011 0.642 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.635 5.219 1.149 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.530 5.444 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.122 6.033 -1.355 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.098 7.347 0.102 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.722 9.224 0.067 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.651 8.372 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -19.010 8.081 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.246 8.064 2.159 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.528 6.869 1.850 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.863 6.326 2.169 1.00 0.00 H new ATOM 1405 N SER B 23 -18.435 3.013 -1.325 1.00 0.00 N ATOM 1406 CA SER B 23 -19.228 2.132 -2.177 1.00 0.00 C ATOM 1407 C SER B 23 -19.931 1.036 -1.357 1.00 0.00 C ATOM 1408 O SER B 23 -21.125 0.795 -1.535 1.00 0.00 O ATOM 1409 CB SER B 23 -18.365 1.509 -3.279 1.00 0.00 C ATOM 1410 OG SER B 23 -18.167 2.424 -4.343 1.00 0.00 O ATOM 0 H SER B 23 -17.425 2.894 -1.403 1.00 0.00 H new ATOM 0 HA SER B 23 -19.998 2.743 -2.648 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.401 1.210 -2.867 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.845 0.605 -3.655 1.00 0.00 H new ATOM 0 HG SER B 23 -17.718 3.227 -4.005 1.00 0.00 H new ATOM 1416 N SER B 24 -19.198 0.374 -0.460 1.00 0.00 N ATOM 1417 CA SER B 24 -19.778 -0.694 0.360 1.00 0.00 C ATOM 1418 C SER B 24 -20.807 -0.171 1.342 1.00 0.00 C ATOM 1419 O SER B 24 -21.967 -0.580 1.307 1.00 0.00 O ATOM 1420 CB SER B 24 -18.698 -1.443 1.127 1.00 0.00 C ATOM 1421 OG SER B 24 -19.252 -2.177 2.205 1.00 0.00 O ATOM 0 H SER B 24 -18.210 0.555 -0.283 1.00 0.00 H new ATOM 0 HA SER B 24 -20.276 -1.373 -0.332 1.00 0.00 H new ATOM 0 HB2 SER B 24 -18.173 -2.121 0.454 1.00 0.00 H new ATOM 0 HB3 SER B 24 -17.960 -0.736 1.506 1.00 0.00 H new ATOM 0 HG SER B 24 -19.291 -3.127 1.968 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.375 0.716 2.232 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.271 1.290 3.220 1.00 0.00 C ATOM 1429 C ALA B 25 -22.532 1.760 2.523 1.00 0.00 C ATOM 1430 O ALA B 25 -23.628 1.698 3.076 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.595 2.442 3.958 1.00 0.00 C ATOM 0 H ALA B 25 -19.413 1.050 2.287 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.528 0.534 3.962 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.284 2.857 4.693 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.702 2.076 4.464 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.316 3.217 3.244 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.359 2.193 1.278 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.472 2.669 0.470 1.00 0.00 C ATOM 1439 C ALA B 26 -24.523 1.583 0.255 1.00 0.00 C ATOM 1440 O ALA B 26 -25.719 1.859 0.341 1.00 0.00 O ATOM 1441 CB ALA B 26 -22.978 3.197 -0.869 1.00 0.00 C ATOM 0 H ALA B 26 -21.455 2.223 0.807 1.00 0.00 H new ATOM 0 HA ALA B 26 -23.944 3.484 1.019 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.826 3.548 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.286 4.023 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.467 2.399 -1.409 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.094 0.347 -0.024 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.064 -0.724 -0.252 1.00 0.00 C ATOM 1449 C ASN B 27 -24.518 -2.146 -0.048 1.00 0.00 C ATOM 1450 O ASN B 27 -25.230 -2.996 0.487 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.658 -0.605 -1.660 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.642 -0.188 -2.713 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.361 -0.410 -2.440 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.008 0.340 -3.763 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.115 0.071 -0.095 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.829 -0.584 0.512 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.092 -1.563 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.471 0.121 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.001 0.494 -3.937 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.318 0.623 -4.459 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.275 -2.419 -0.454 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.735 -3.776 -0.334 1.00 0.00 C ATOM 1463 C CYS B 28 -21.272 -3.851 -0.760 1.00 0.00 C ATOM 1464 O CYS B 28 -20.747 -2.924 -1.346 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.575 -4.709 -1.214 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.653 -6.020 -2.072 1.00 0.00 S ATOM 0 H CYS B 28 -22.636 -1.736 -0.860 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.783 -4.076 0.713 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.340 -5.175 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.094 -4.107 -1.960 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.620 -4.963 -0.440 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.224 -5.186 -0.820 1.00 0.00 C ATOM 1473 C ASP B 29 -19.113 -6.387 -1.762 1.00 0.00 C ATOM 1474 O ASP B 29 -19.901 -7.327 -1.653 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.364 -5.427 0.422 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.164 -6.004 1.574 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.748 -5.214 2.346 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.209 -7.245 1.703 1.00 0.00 O ATOM 0 H ASP B 29 -21.037 -5.731 0.086 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.864 -4.295 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.550 -6.107 0.171 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -17.909 -4.487 0.734 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.144 -6.372 -2.688 1.00 0.00 N ATOM 1484 CA TRP B 30 -17.993 -7.503 -3.603 1.00 0.00 C ATOM 1485 C TRP B 30 -17.558 -8.722 -2.798 1.00 0.00 C ATOM 1486 O TRP B 30 -18.111 -9.811 -2.951 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.012 -7.205 -4.768 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.688 -6.667 -4.367 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.706 -7.267 -3.641 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.202 -5.392 -4.730 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.654 -6.401 -3.482 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -13.945 -5.240 -4.150 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.733 -4.351 -5.480 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.212 -4.080 -4.295 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.003 -3.202 -5.631 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.758 -3.069 -5.038 1.00 0.00 C ATOM 0 H TRP B 30 -17.475 -5.614 -2.819 1.00 0.00 H new ATOM 0 HA TRP B 30 -18.954 -7.698 -4.079 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -16.855 -8.124 -5.332 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.484 -6.493 -5.444 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.748 -8.273 -3.249 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.800 -6.589 -2.956 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.707 -4.446 -5.937 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.240 -3.974 -3.837 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.403 -2.390 -6.220 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.207 -2.149 -5.165 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.578 -8.496 -1.915 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.045 -9.520 -1.019 1.00 0.00 C ATOM 1509 C ALA B 31 -15.241 -10.583 -1.763 1.00 0.00 C ATOM 1510 O ALA B 31 -14.168 -10.998 -1.324 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.178 -10.156 -0.238 1.00 0.00 C ATOM 0 H ALA B 31 -16.130 -7.586 -1.804 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.356 -9.031 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -16.777 -10.919 0.429 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.688 -9.393 0.349 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -17.885 -10.614 -0.930 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.765 -11.018 -2.889 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.110 -12.038 -3.693 1.00 0.00 C ATOM 1519 C ALA B 32 -13.850 -11.496 -4.356 1.00 0.00 C ATOM 1520 O ALA B 32 -12.818 -12.170 -4.405 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.071 -12.579 -4.741 1.00 0.00 C ATOM 0 H ALA B 32 -16.648 -10.681 -3.273 1.00 0.00 H new ATOM 0 HA ALA B 32 -14.814 -12.851 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.569 -13.342 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -16.939 -13.017 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.395 -11.767 -5.391 1.00 0.00 H new ATOM 1527 N CYS B 33 -13.931 -10.268 -4.853 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.799 -9.654 -5.526 1.00 0.00 C ATOM 1529 C CYS B 33 -11.663 -9.351 -4.569 1.00 0.00 C ATOM 1530 O CYS B 33 -10.518 -9.652 -4.857 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.209 -8.379 -6.241 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.660 -8.320 -7.982 1.00 0.00 S ATOM 0 H CYS B 33 -14.765 -9.682 -4.802 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.447 -10.380 -6.259 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.294 -8.284 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.796 -7.523 -5.708 1.00 0.00 H new ATOM 1537 N LEU B 34 -11.961 -8.750 -3.434 1.00 0.00 N ATOM 1538 CA LEU B 34 -10.902 -8.433 -2.496 1.00 0.00 C ATOM 1539 C LEU B 34 -10.067 -9.667 -2.214 1.00 0.00 C ATOM 1540 O LEU B 34 -8.841 -9.601 -2.184 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.456 -7.812 -1.227 1.00 0.00 C ATOM 1542 CG LEU B 34 -12.815 -8.345 -0.801 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.657 -9.352 0.325 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.718 -7.203 -0.386 1.00 0.00 C ATOM 0 H LEU B 34 -12.900 -8.478 -3.144 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.249 -7.686 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.746 -7.978 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.532 -6.734 -1.369 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.277 -8.854 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.638 -9.725 0.620 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.039 -10.184 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.180 -8.871 1.179 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.688 -7.598 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.267 -6.668 0.450 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -13.850 -6.520 -1.225 1.00 0.00 H new ATOM 1556 N SER B 35 -10.725 -10.802 -2.030 1.00 0.00 N ATOM 1557 CA SER B 35 -10.002 -12.043 -1.810 1.00 0.00 C ATOM 1558 C SER B 35 -8.998 -12.232 -2.942 1.00 0.00 C ATOM 1559 O SER B 35 -7.889 -12.719 -2.737 1.00 0.00 O ATOM 1560 CB SER B 35 -10.972 -13.220 -1.776 1.00 0.00 C ATOM 1561 OG SER B 35 -10.292 -14.438 -1.525 1.00 0.00 O ATOM 0 H SER B 35 -11.741 -10.889 -2.029 1.00 0.00 H new ATOM 0 HA SER B 35 -9.481 -11.998 -0.854 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.723 -13.054 -1.003 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.502 -13.285 -2.726 1.00 0.00 H new ATOM 0 HG SER B 35 -10.937 -15.175 -1.507 1.00 0.00 H new ATOM 1567 N SER B 36 -9.423 -11.827 -4.137 1.00 0.00 N ATOM 1568 CA SER B 36 -8.605 -11.917 -5.355 1.00 0.00 C ATOM 1569 C SER B 36 -7.203 -11.309 -5.171 1.00 0.00 C ATOM 1570 O SER B 36 -6.205 -11.935 -5.534 1.00 0.00 O ATOM 1571 CB SER B 36 -9.328 -11.228 -6.520 1.00 0.00 C ATOM 1572 OG SER B 36 -8.963 -11.802 -7.763 1.00 0.00 O ATOM 0 H SER B 36 -10.347 -11.425 -4.293 1.00 0.00 H new ATOM 0 HA SER B 36 -8.468 -12.976 -5.576 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.406 -11.310 -6.382 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.087 -10.165 -6.523 1.00 0.00 H new ATOM 0 HG SER B 36 -9.440 -11.345 -8.487 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.117 -10.092 -4.624 1.00 0.00 N ATOM 1579 CA LEU B 37 -5.803 -9.460 -4.409 1.00 0.00 C ATOM 1580 C LEU B 37 -5.044 -10.320 -3.441 1.00 0.00 C ATOM 1581 O LEU B 37 -3.911 -10.721 -3.690 1.00 0.00 O ATOM 1582 CB LEU B 37 -5.903 -8.034 -3.840 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.673 -7.549 -3.068 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.495 -7.333 -3.997 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -4.978 -6.286 -2.300 1.00 0.00 C ATOM 0 H LEU B 37 -7.917 -9.533 -4.327 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.302 -9.377 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.090 -7.344 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.769 -7.984 -3.180 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.405 -8.327 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.636 -6.989 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.247 -8.271 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.754 -6.584 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.087 -5.964 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.285 -5.503 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.782 -6.477 -1.590 1.00 0.00 H new ATOM 1597 N SER B 38 -5.707 -10.601 -2.333 1.00 0.00 N ATOM 1598 CA SER B 38 -5.153 -11.438 -1.296 1.00 0.00 C ATOM 1599 C SER B 38 -5.012 -12.875 -1.802 1.00 0.00 C ATOM 1600 O SER B 38 -4.595 -13.772 -1.070 1.00 0.00 O ATOM 1601 CB SER B 38 -6.058 -11.378 -0.064 1.00 0.00 C ATOM 1602 OG SER B 38 -6.609 -12.648 0.234 1.00 0.00 O ATOM 0 H SER B 38 -6.644 -10.253 -2.132 1.00 0.00 H new ATOM 0 HA SER B 38 -4.161 -11.079 -1.022 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.487 -11.017 0.792 1.00 0.00 H new ATOM 0 HB3 SER B 38 -6.862 -10.662 -0.235 1.00 0.00 H new ATOM 0 HG SER B 38 -7.300 -12.551 0.922 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.365 -13.071 -3.073 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.287 -14.379 -3.714 1.00 0.00 C ATOM 1610 C ALA B 39 -4.083 -14.449 -4.646 1.00 0.00 C ATOM 1611 O ALA B 39 -3.710 -15.528 -5.103 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.570 -14.676 -4.479 1.00 0.00 C ATOM 0 H ALA B 39 -5.711 -12.330 -3.682 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.165 -15.134 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.494 -15.656 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.414 -14.670 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.721 -13.915 -5.245 1.00 0.00 H new ATOM 1618 N SER B 40 -3.512 -13.271 -4.931 1.00 0.00 N ATOM 1619 CA SER B 40 -2.319 -13.123 -5.778 1.00 0.00 C ATOM 1620 C SER B 40 -2.652 -12.854 -7.241 1.00 0.00 C ATOM 1621 O SER B 40 -3.344 -13.633 -7.895 1.00 0.00 O ATOM 1622 CB SER B 40 -1.392 -14.340 -5.677 1.00 0.00 C ATOM 1623 OG SER B 40 -1.726 -15.325 -6.640 1.00 0.00 O ATOM 0 H SER B 40 -3.869 -12.384 -4.576 1.00 0.00 H new ATOM 0 HA SER B 40 -1.800 -12.247 -5.390 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.358 -14.025 -5.820 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.459 -14.769 -4.677 1.00 0.00 H new ATOM 0 HG SER B 40 -2.580 -15.741 -6.399 1.00 0.00 H new ATOM 1629 N SER B 41 -2.145 -11.726 -7.736 1.00 0.00 N ATOM 1630 CA SER B 41 -2.317 -11.339 -9.129 1.00 0.00 C ATOM 1631 C SER B 41 -0.945 -11.184 -9.754 1.00 0.00 C ATOM 1632 O SER B 41 -0.030 -10.656 -9.129 1.00 0.00 O ATOM 1633 CB SER B 41 -3.083 -10.023 -9.271 1.00 0.00 C ATOM 1634 OG SER B 41 -3.864 -10.017 -10.453 1.00 0.00 O ATOM 0 H SER B 41 -1.606 -11.060 -7.183 1.00 0.00 H new ATOM 0 HA SER B 41 -2.897 -12.113 -9.631 1.00 0.00 H new ATOM 0 HB2 SER B 41 -3.727 -9.877 -8.404 1.00 0.00 H new ATOM 0 HB3 SER B 41 -2.381 -9.189 -9.290 1.00 0.00 H new ATOM 0 HG SER B 41 -4.346 -9.167 -10.522 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.813 -11.630 -10.987 1.00 0.00 N ATOM 1641 CA ALA B 42 0.461 -11.553 -11.699 1.00 0.00 C ATOM 1642 C ALA B 42 0.938 -10.111 -11.812 1.00 0.00 C ATOM 1643 O ALA B 42 2.069 -9.845 -12.220 1.00 0.00 O ATOM 1644 CB ALA B 42 0.324 -12.169 -13.080 1.00 0.00 C ATOM 0 H ALA B 42 -1.571 -12.052 -11.524 1.00 0.00 H new ATOM 0 HA ALA B 42 1.204 -12.112 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.279 -12.107 -13.603 1.00 0.00 H new ATOM 0 HB2 ALA B 42 0.030 -13.214 -12.985 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.435 -11.629 -13.646 1.00 0.00 H new ATOM 1650 N ALA B 43 0.066 -9.191 -11.430 1.00 0.00 N ATOM 1651 CA ALA B 43 0.359 -7.772 -11.519 1.00 0.00 C ATOM 1652 C ALA B 43 1.067 -7.222 -10.291 1.00 0.00 C ATOM 1653 O ALA B 43 2.183 -6.735 -10.401 1.00 0.00 O ATOM 1654 CB ALA B 43 -0.934 -7.013 -11.776 1.00 0.00 C ATOM 0 H ALA B 43 -0.857 -9.406 -11.053 1.00 0.00 H new ATOM 0 HA ALA B 43 1.053 -7.634 -12.348 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.722 -5.946 -11.844 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.377 -7.355 -12.711 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.630 -7.193 -10.957 1.00 0.00 H new ATOM 1660 N CYS B 44 0.424 -7.300 -9.135 1.00 0.00 N ATOM 1661 CA CYS B 44 1.002 -6.778 -7.897 1.00 0.00 C ATOM 1662 C CYS B 44 2.491 -7.082 -7.779 1.00 0.00 C ATOM 1663 O CYS B 44 3.254 -6.298 -7.209 1.00 0.00 O ATOM 1664 CB CYS B 44 0.239 -7.313 -6.690 1.00 0.00 C ATOM 1665 SG CYS B 44 -0.837 -8.740 -7.053 1.00 0.00 S ATOM 0 H CYS B 44 -0.499 -7.719 -9.024 1.00 0.00 H new ATOM 0 HA CYS B 44 0.905 -5.693 -7.924 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.955 -7.600 -5.920 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.370 -6.510 -6.275 1.00 0.00 H new ATOM 1670 N ILE B 45 2.902 -8.215 -8.313 1.00 0.00 N ATOM 1671 CA ILE B 45 4.301 -8.603 -8.276 1.00 0.00 C ATOM 1672 C ILE B 45 5.069 -7.950 -9.423 1.00 0.00 C ATOM 1673 O ILE B 45 6.140 -7.326 -9.232 1.00 0.00 O ATOM 1674 CB ILE B 45 4.473 -10.131 -8.317 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.187 -10.829 -7.874 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.629 -10.552 -7.421 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.570 -11.699 -8.948 1.00 0.00 C ATOM 0 H ILE B 45 2.288 -8.884 -8.778 1.00 0.00 H new ATOM 0 HA ILE B 45 4.712 -8.251 -7.330 1.00 0.00 H new ATOM 0 HB ILE B 45 4.692 -10.426 -9.343 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.399 -11.443 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.462 -10.076 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.742 -11.636 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.548 -10.080 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.426 -10.243 -6.396 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.661 -12.162 -8.563 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.326 -11.087 -9.816 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.278 -12.475 -9.239 1.00 0.00 H new ATOM 1689 N ALA B 46 4.497 -8.043 -10.620 1.00 0.00 N ATOM 1690 CA ALA B 46 5.137 -7.432 -11.780 1.00 0.00 C ATOM 1691 C ALA B 46 5.273 -5.958 -11.465 1.00 0.00 C ATOM 1692 O ALA B 46 6.094 -5.212 -12.016 1.00 0.00 O ATOM 1693 CB ALA B 46 4.316 -7.658 -13.041 1.00 0.00 C ATOM 0 H ALA B 46 3.616 -8.521 -10.810 1.00 0.00 H new ATOM 0 HA ALA B 46 6.113 -7.879 -11.972 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.817 -7.192 -13.890 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.215 -8.728 -13.222 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.327 -7.216 -12.916 1.00 0.00 H new ATOM 1699 N ALA B 47 4.448 -5.581 -10.512 1.00 0.00 N ATOM 1700 CA ALA B 47 4.376 -4.245 -10.008 1.00 0.00 C ATOM 1701 C ALA B 47 5.626 -3.912 -9.228 1.00 0.00 C ATOM 1702 O ALA B 47 6.225 -2.858 -9.430 1.00 0.00 O ATOM 1703 CB ALA B 47 3.161 -4.132 -9.118 1.00 0.00 C ATOM 0 H ALA B 47 3.795 -6.221 -10.060 1.00 0.00 H new ATOM 0 HA ALA B 47 4.295 -3.542 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.091 -3.118 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.265 -4.360 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.249 -4.837 -8.291 1.00 0.00 H new ATOM 1709 N VAL B 48 6.034 -4.832 -8.351 1.00 0.00 N ATOM 1710 CA VAL B 48 7.217 -4.618 -7.527 1.00 0.00 C ATOM 1711 C VAL B 48 8.305 -3.981 -8.345 1.00 0.00 C ATOM 1712 O VAL B 48 9.067 -3.148 -7.857 1.00 0.00 O ATOM 1713 CB VAL B 48 7.766 -5.936 -6.944 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.855 -5.658 -5.917 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.654 -6.768 -6.336 1.00 0.00 C ATOM 0 H VAL B 48 5.564 -5.724 -8.197 1.00 0.00 H new ATOM 0 HA VAL B 48 6.916 -3.969 -6.705 1.00 0.00 H new ATOM 0 HB VAL B 48 8.204 -6.508 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.228 -6.601 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.673 -5.115 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.445 -5.058 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.069 -7.691 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.175 -6.205 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.917 -7.006 -7.103 1.00 0.00 H new ATOM 1725 N GLY B 49 8.376 -4.387 -9.590 1.00 0.00 N ATOM 1726 CA GLY B 49 9.394 -3.839 -10.470 1.00 0.00 C ATOM 1727 C GLY B 49 9.025 -2.553 -11.213 1.00 0.00 C ATOM 1728 O GLY B 49 9.915 -1.798 -11.594 1.00 0.00 O ATOM 0 H GLY B 49 7.759 -5.079 -10.015 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.290 -3.648 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.654 -4.598 -11.208 1.00 0.00 H new ATOM 1732 N GLU B 50 7.739 -2.268 -11.396 1.00 0.00 N ATOM 1733 CA GLU B 50 7.346 -1.115 -12.223 1.00 0.00 C ATOM 1734 C GLU B 50 6.910 0.207 -11.560 1.00 0.00 C ATOM 1735 O GLU B 50 6.095 0.908 -12.145 1.00 0.00 O ATOM 1736 CB GLU B 50 6.370 -1.548 -13.296 1.00 0.00 C ATOM 1737 CG GLU B 50 7.110 -2.011 -14.524 1.00 0.00 C ATOM 1738 CD GLU B 50 6.587 -1.381 -15.800 1.00 0.00 C ATOM 1739 OE1 GLU B 50 5.660 -1.955 -16.409 1.00 0.00 O ATOM 1740 OE2 GLU B 50 7.105 -0.313 -16.190 1.00 0.00 O ATOM 0 H GLU B 50 6.964 -2.799 -10.998 1.00 0.00 H new ATOM 0 HA GLU B 50 8.307 -0.807 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU B 50 5.739 -2.353 -12.919 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.710 -0.719 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU B 50 8.168 -1.774 -14.415 1.00 0.00 H new ATOM 0 HG3 GLU B 50 7.032 -3.095 -14.602 1.00 0.00 H new ATOM 1747 N LEU B 51 7.319 0.488 -10.323 1.00 0.00 N ATOM 1748 CA LEU B 51 7.036 1.804 -9.678 1.00 0.00 C ATOM 1749 C LEU B 51 6.001 1.698 -8.599 1.00 0.00 C ATOM 1750 O LEU B 51 4.787 1.574 -8.865 1.00 0.00 O ATOM 1751 CB LEU B 51 6.656 2.908 -10.657 1.00 0.00 C ATOM 1752 CG LEU B 51 6.783 4.324 -10.091 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.241 4.708 -9.879 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.076 5.334 -10.982 1.00 0.00 C ATOM 0 H LEU B 51 7.844 -0.161 -9.738 1.00 0.00 H new ATOM 0 HA LEU B 51 7.986 2.093 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.287 2.825 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.628 2.751 -10.983 1.00 0.00 H new ATOM 0 HG LEU B 51 6.294 4.335 -9.117 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.296 5.719 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.702 4.013 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.770 4.667 -10.831 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.182 6.332 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.520 5.315 -11.977 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.018 5.080 -11.052 1.00 0.00 H new ATOM 1766 N GLY B 52 6.529 1.771 -7.374 1.00 0.00 N ATOM 1767 CA GLY B 52 5.757 1.635 -6.170 1.00 0.00 C ATOM 1768 C GLY B 52 4.839 0.480 -6.296 1.00 0.00 C ATOM 1769 O GLY B 52 3.898 0.318 -5.524 1.00 0.00 O ATOM 0 H GLY B 52 7.522 1.929 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.419 1.495 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.188 2.546 -5.986 1.00 0.00 H new ATOM 1773 N LEU B 53 5.165 -0.316 -7.304 1.00 0.00 N ATOM 1774 CA LEU B 53 4.448 -1.497 -7.670 1.00 0.00 C ATOM 1775 C LEU B 53 3.482 -1.145 -8.785 1.00 0.00 C ATOM 1776 O LEU B 53 2.283 -1.399 -8.669 1.00 0.00 O ATOM 1777 CB LEU B 53 3.723 -2.160 -6.489 1.00 0.00 C ATOM 1778 CG LEU B 53 4.573 -2.538 -5.256 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.361 -3.998 -4.878 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.051 -2.257 -5.487 1.00 0.00 C ATOM 0 H LEU B 53 5.970 -0.137 -7.904 1.00 0.00 H new ATOM 0 HA LEU B 53 5.168 -2.240 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.931 -1.487 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.240 -3.066 -6.856 1.00 0.00 H new ATOM 0 HG LEU B 53 4.241 -1.913 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU B 53 4.970 -4.240 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.310 -4.164 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.651 -4.636 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.618 -2.535 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.403 -2.839 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.192 -1.195 -5.689 1.00 0.00 H new ATOM 1792 N ASP B 54 4.026 -0.551 -9.876 1.00 0.00 N ATOM 1793 CA ASP B 54 3.214 -0.144 -11.019 1.00 0.00 C ATOM 1794 C ASP B 54 1.766 -0.165 -10.640 1.00 0.00 C ATOM 1795 O ASP B 54 1.157 -1.225 -10.630 1.00 0.00 O ATOM 1796 CB ASP B 54 3.411 -1.091 -12.191 1.00 0.00 C ATOM 1797 CG ASP B 54 3.335 -0.388 -13.533 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.318 0.861 -13.551 1.00 0.00 O ATOM 1799 OD2 ASP B 54 3.297 -1.086 -14.568 1.00 0.00 O ATOM 0 H ASP B 54 5.021 -0.350 -9.976 1.00 0.00 H new ATOM 0 HA ASP B 54 3.523 0.860 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.380 -1.582 -12.097 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.653 -1.873 -12.152 1.00 0.00 H new ATOM 1804 N VAL B 55 1.211 0.978 -10.299 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.195 0.995 -9.896 1.00 0.00 C ATOM 1806 C VAL B 55 -1.066 0.106 -10.779 1.00 0.00 C ATOM 1807 O VAL B 55 -1.855 -0.670 -10.236 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.821 2.402 -9.797 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.587 2.786 -11.062 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.730 2.449 -8.576 1.00 0.00 C ATOM 0 H VAL B 55 1.683 1.882 -10.289 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.176 0.589 -8.885 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.018 3.132 -9.692 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.009 3.784 -10.943 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -0.908 2.778 -11.915 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.391 2.070 -11.232 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.179 3.439 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.516 1.701 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.146 2.241 -7.679 1.00 0.00 H new ATOM 1820 N PRO B 56 -0.933 0.162 -12.138 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.754 -0.666 -13.020 1.00 0.00 C ATOM 1822 C PRO B 56 -1.597 -2.129 -12.670 1.00 0.00 C ATOM 1823 O PRO B 56 -2.398 -2.971 -13.073 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.212 -0.386 -14.428 1.00 0.00 C ATOM 1825 CG PRO B 56 0.127 0.226 -14.214 1.00 0.00 C ATOM 1826 CD PRO B 56 0.031 0.974 -12.919 1.00 0.00 C ATOM 0 HA PRO B 56 -2.816 -0.438 -12.934 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -1.137 -1.304 -15.011 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -1.870 0.288 -14.977 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.903 -0.538 -14.168 1.00 0.00 H new ATOM 0 HG3 PRO B 56 0.387 0.895 -15.034 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.998 1.044 -12.420 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.326 1.993 -13.067 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.513 -2.429 -11.971 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.252 -3.776 -11.537 1.00 0.00 C ATOM 1836 C LEU B 57 -0.692 -4.037 -10.092 1.00 0.00 C ATOM 1837 O LEU B 57 -1.628 -4.789 -9.860 1.00 0.00 O ATOM 1838 CB LEU B 57 1.221 -4.127 -11.714 1.00 0.00 C ATOM 1839 CG LEU B 57 1.776 -3.960 -13.134 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.238 -4.370 -13.187 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.965 -4.773 -14.132 1.00 0.00 C ATOM 0 H LEU B 57 0.197 -1.750 -11.696 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.855 -4.425 -12.173 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.808 -3.505 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.369 -5.162 -11.405 1.00 0.00 H new ATOM 0 HG LEU B 57 1.698 -2.907 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.614 -4.245 -14.202 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.816 -3.745 -12.506 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.334 -5.415 -12.891 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.378 -4.638 -15.132 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.007 -5.828 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.071 -4.436 -14.119 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.010 -3.402 -9.127 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.278 -3.627 -7.697 1.00 0.00 C ATOM 1855 C ASP B 58 -1.569 -3.058 -7.164 1.00 0.00 C ATOM 1856 O ASP B 58 -2.407 -3.808 -6.684 1.00 0.00 O ATOM 1857 CB ASP B 58 0.850 -3.070 -6.862 1.00 0.00 C ATOM 1858 CG ASP B 58 0.562 -3.121 -5.375 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.313 -3.909 -4.966 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.213 -2.368 -4.619 1.00 0.00 O ATOM 0 H ASP B 58 0.733 -2.727 -9.311 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.366 -4.711 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.761 -3.631 -7.070 1.00 0.00 H new ATOM 0 HB3 ASP B 58 1.037 -2.037 -7.156 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.731 -1.751 -7.199 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.936 -1.177 -6.647 1.00 0.00 C ATOM 1867 C LEU B 59 -4.079 -1.513 -7.529 1.00 0.00 C ATOM 1868 O LEU B 59 -5.222 -1.290 -7.190 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.818 0.302 -6.370 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.626 0.609 -4.888 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.930 0.491 -4.153 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.608 -0.335 -4.259 1.00 0.00 C ATOM 0 H LEU B 59 -1.065 -1.085 -7.591 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.111 -1.617 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.977 0.707 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.715 0.808 -6.729 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.255 1.631 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.774 0.713 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.648 1.197 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.316 -0.523 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.491 -0.093 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.955 -1.363 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.649 -0.225 -4.765 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.727 -1.967 -8.703 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.693 -2.422 -9.664 1.00 0.00 C ATOM 1886 C ALA B 60 -4.985 -3.876 -9.344 1.00 0.00 C ATOM 1887 O ALA B 60 -6.078 -4.372 -9.582 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.155 -2.258 -11.061 1.00 0.00 C ATOM 0 H ALA B 60 -2.759 -2.031 -9.019 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.612 -1.838 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -4.897 -2.606 -11.780 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.937 -1.206 -11.246 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.241 -2.843 -11.170 1.00 0.00 H new ATOM 1894 N CYS B 61 -3.964 -4.552 -8.809 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.091 -5.931 -8.354 1.00 0.00 C ATOM 1896 C CYS B 61 -4.937 -5.875 -7.094 1.00 0.00 C ATOM 1897 O CYS B 61 -5.788 -6.726 -6.811 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.708 -6.526 -8.039 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.732 -7.985 -6.946 1.00 0.00 S ATOM 0 H CYS B 61 -3.032 -4.157 -8.681 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.545 -6.562 -9.118 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.224 -6.800 -8.977 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.093 -5.754 -7.577 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.712 -4.793 -6.371 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.402 -4.526 -5.139 1.00 0.00 C ATOM 1906 C ALA B 62 -6.768 -3.907 -5.417 1.00 0.00 C ATOM 1907 O ALA B 62 -7.757 -4.261 -4.772 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.542 -3.636 -4.261 1.00 0.00 C ATOM 0 H ALA B 62 -4.038 -4.073 -6.632 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.577 -5.460 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.065 -3.433 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.598 -4.138 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.344 -2.697 -4.778 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.815 -2.986 -6.390 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.066 -2.346 -6.780 1.00 0.00 C ATOM 1916 C ALA B 63 -8.946 -3.384 -7.408 1.00 0.00 C ATOM 1917 O ALA B 63 -10.167 -3.352 -7.280 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.843 -1.211 -7.760 1.00 0.00 C ATOM 0 H ALA B 63 -6.000 -2.672 -6.917 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.531 -1.920 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.802 -0.764 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.203 -0.456 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.364 -1.596 -8.660 1.00 0.00 H new ATOM 1924 N THR B 64 -8.304 -4.322 -8.087 1.00 0.00 N ATOM 1925 CA THR B 64 -9.033 -5.409 -8.702 1.00 0.00 C ATOM 1926 C THR B 64 -9.446 -6.358 -7.597 1.00 0.00 C ATOM 1927 O THR B 64 -9.861 -7.489 -7.850 1.00 0.00 O ATOM 1928 CB THR B 64 -8.240 -6.171 -9.805 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.150 -6.917 -10.623 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.195 -7.129 -9.230 1.00 0.00 C ATOM 0 H THR B 64 -7.293 -4.349 -8.223 1.00 0.00 H new ATOM 0 HA THR B 64 -9.893 -4.986 -9.221 1.00 0.00 H new ATOM 0 HB THR B 64 -7.713 -5.419 -10.392 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.746 -7.445 -10.052 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.674 -7.631 -10.045 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.477 -6.568 -8.632 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.688 -7.871 -8.602 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.322 -5.877 -6.349 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.661 -6.694 -5.207 1.00 0.00 C ATOM 1940 C ALA B 65 -9.841 -5.925 -3.880 1.00 0.00 C ATOM 1941 O ALA B 65 -10.880 -5.328 -3.655 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.616 -7.754 -5.065 1.00 0.00 C ATOM 0 H ALA B 65 -8.993 -4.938 -6.122 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.644 -7.121 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -8.851 -8.384 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.591 -8.364 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.642 -7.287 -4.916 1.00 0.00 H new ATOM 1948 N THR B 66 -8.838 -5.961 -2.987 1.00 0.00 N ATOM 1949 CA THR B 66 -8.978 -5.334 -1.655 1.00 0.00 C ATOM 1950 C THR B 66 -8.762 -3.833 -1.643 1.00 0.00 C ATOM 1951 O THR B 66 -9.533 -3.126 -1.004 1.00 0.00 O ATOM 1952 CB THR B 66 -8.054 -5.947 -0.587 1.00 0.00 C ATOM 1953 OG1 THR B 66 -6.798 -5.275 -0.592 1.00 0.00 O ATOM 1954 CG2 THR B 66 -7.845 -7.431 -0.813 1.00 0.00 C ATOM 0 H THR B 66 -7.936 -6.408 -3.155 1.00 0.00 H new ATOM 0 HA THR B 66 -10.019 -5.542 -1.408 1.00 0.00 H new ATOM 0 HB THR B 66 -8.535 -5.822 0.383 1.00 0.00 H new ATOM 0 HG1 THR B 66 -6.569 -5.003 0.321 1.00 0.00 H new ATOM 0 HG21 THR B 66 -7.188 -7.828 -0.039 1.00 0.00 H new ATOM 0 HG22 THR B 66 -8.806 -7.944 -0.771 1.00 0.00 H new ATOM 0 HG23 THR B 66 -7.391 -7.590 -1.791 1.00 0.00 H new ATOM 1962 N SER B 67 -7.721 -3.323 -2.303 1.00 0.00 N ATOM 1963 CA SER B 67 -7.529 -1.865 -2.300 1.00 0.00 C ATOM 1964 C SER B 67 -8.858 -1.269 -2.668 1.00 0.00 C ATOM 1965 O SER B 67 -9.186 -0.125 -2.355 1.00 0.00 O ATOM 1966 CB SER B 67 -6.454 -1.391 -3.256 1.00 0.00 C ATOM 1967 OG SER B 67 -6.459 0.020 -3.321 1.00 0.00 O ATOM 0 H SER B 67 -7.028 -3.861 -2.823 1.00 0.00 H new ATOM 0 HA SER B 67 -7.186 -1.549 -1.315 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.478 -1.745 -2.925 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.626 -1.810 -4.247 1.00 0.00 H new ATOM 0 HG SER B 67 -6.417 0.304 -4.258 1.00 0.00 H new ATOM 1973 N SER B 68 -9.587 -2.106 -3.387 1.00 0.00 N ATOM 1974 CA SER B 68 -10.937 -1.892 -3.770 1.00 0.00 C ATOM 1975 C SER B 68 -11.174 -0.856 -4.829 1.00 0.00 C ATOM 1976 O SER B 68 -11.066 0.343 -4.608 1.00 0.00 O ATOM 1977 CB SER B 68 -11.830 -1.635 -2.566 1.00 0.00 C ATOM 1978 OG SER B 68 -11.087 -1.308 -1.406 1.00 0.00 O ATOM 0 H SER B 68 -9.217 -2.993 -3.727 1.00 0.00 H new ATOM 0 HA SER B 68 -11.211 -2.835 -4.243 1.00 0.00 H new ATOM 0 HB2 SER B 68 -12.519 -0.822 -2.795 1.00 0.00 H new ATOM 0 HB3 SER B 68 -12.435 -2.520 -2.370 1.00 0.00 H new ATOM 0 HG SER B 68 -10.949 -0.338 -1.368 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.511 -1.383 -5.983 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.889 -0.594 -7.139 1.00 0.00 C ATOM 1986 C ALA B 69 -11.935 -1.475 -8.372 1.00 0.00 C ATOM 1987 O ALA B 69 -11.432 -1.119 -9.438 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.964 0.592 -7.354 1.00 0.00 C ATOM 0 H ALA B 69 -11.531 -2.389 -6.151 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.882 -0.186 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.288 1.152 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.994 1.240 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.945 0.236 -7.507 1.00 0.00 H new ATOM 1994 N THR B 70 -12.553 -2.635 -8.206 1.00 0.00 N ATOM 1995 CA THR B 70 -12.678 -3.600 -9.282 1.00 0.00 C ATOM 1996 C THR B 70 -14.035 -3.484 -9.959 1.00 0.00 C ATOM 1997 O THR B 70 -15.030 -4.038 -9.493 1.00 0.00 O ATOM 1998 CB THR B 70 -12.470 -5.041 -8.772 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.380 -5.932 -9.423 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.654 -5.120 -7.262 1.00 0.00 C ATOM 0 H THR B 70 -12.978 -2.930 -7.327 1.00 0.00 H new ATOM 0 HA THR B 70 -11.899 -3.376 -10.010 1.00 0.00 H new ATOM 0 HB THR B 70 -11.448 -5.338 -9.008 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.430 -6.772 -8.921 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.502 -6.147 -6.930 1.00 0.00 H new ATOM 0 HG22 THR B 70 -11.929 -4.469 -6.773 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.663 -4.800 -7.001 1.00 0.00 H new ATOM 2008 N GLU B 71 -14.058 -2.751 -11.063 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.276 -2.543 -11.834 1.00 0.00 C ATOM 2010 C GLU B 71 -15.800 -3.863 -12.387 1.00 0.00 C ATOM 2011 O GLU B 71 -16.858 -3.915 -13.016 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.985 -1.540 -12.956 1.00 0.00 C ATOM 2013 CG GLU B 71 -16.104 -1.390 -13.978 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.853 -0.256 -14.954 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -15.050 -0.446 -15.890 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -16.458 0.822 -14.778 1.00 0.00 O ATOM 0 H GLU B 71 -13.237 -2.285 -11.449 1.00 0.00 H new ATOM 0 HA GLU B 71 -16.055 -2.138 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.784 -0.565 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -14.077 -1.848 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -16.214 -2.323 -14.531 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -17.046 -1.215 -13.458 1.00 0.00 H new ATOM 2023 N ALA B 72 -15.063 -4.935 -12.129 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.453 -6.248 -12.607 1.00 0.00 C ATOM 2025 C ALA B 72 -16.261 -7.025 -11.566 1.00 0.00 C ATOM 2026 O ALA B 72 -17.185 -7.757 -11.917 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.227 -7.041 -13.032 1.00 0.00 C ATOM 0 H ALA B 72 -14.195 -4.918 -11.593 1.00 0.00 H new ATOM 0 HA ALA B 72 -16.100 -6.101 -13.472 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.535 -8.024 -13.388 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.710 -6.511 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.556 -7.157 -12.181 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.914 -6.868 -10.287 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.625 -7.572 -9.219 1.00 0.00 C ATOM 2035 C CYS B 73 -17.448 -6.617 -8.398 1.00 0.00 C ATOM 2036 O CYS B 73 -18.151 -7.030 -7.477 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.658 -8.248 -8.250 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.231 -9.059 -9.029 1.00 0.00 S ATOM 0 H CYS B 73 -15.154 -6.267 -9.968 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.254 -8.312 -9.714 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.292 -7.501 -7.545 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.207 -8.990 -7.671 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.376 -5.345 -8.729 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.059 -4.362 -7.931 1.00 0.00 C ATOM 2045 C LYS B 74 -19.568 -4.432 -7.975 1.00 0.00 C ATOM 2046 O LYS B 74 -20.177 -5.486 -7.790 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.595 -2.944 -8.230 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.825 -2.025 -7.038 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.948 -1.022 -7.265 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.225 -0.169 -6.044 1.00 0.00 C ATOM 2051 NZ LYS B 74 -19.949 1.085 -6.390 1.00 0.00 N ATOM 0 H LYS B 74 -16.861 -4.977 -9.529 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.773 -4.626 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.536 -2.952 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.131 -2.559 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.057 -2.629 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.903 -1.486 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.689 -0.376 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.856 -1.556 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.815 -0.742 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.283 0.080 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -19.716 1.823 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.664 1.400 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.974 0.909 -6.377 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.150 -3.281 -8.226 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.564 -3.137 -8.162 1.00 0.00 C ATOM 2067 C GLY B 75 -21.922 -3.184 -6.701 1.00 0.00 C ATOM 2068 O GLY B 75 -23.060 -3.467 -6.326 1.00 0.00 O ATOM 0 H GLY B 75 -19.648 -2.429 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -21.881 -2.196 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.062 -3.936 -8.711 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.902 -2.893 -5.863 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.055 -2.955 -4.428 1.00 0.00 C ATOM 2074 C CYS B 76 -19.975 -2.200 -3.625 1.00 0.00 C ATOM 2075 O CYS B 76 -20.269 -1.205 -2.966 1.00 0.00 O ATOM 2076 CB CYS B 76 -20.978 -4.423 -4.011 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.564 -5.315 -3.976 1.00 0.00 S ATOM 0 H CYS B 76 -19.972 -2.615 -6.175 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.009 -2.477 -4.205 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.305 -4.941 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.529 -4.477 -3.019 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.720 -2.659 -3.725 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.625 -2.161 -2.862 1.00 0.00 C ATOM 2084 C LEU B 77 -16.689 -1.050 -3.380 1.00 0.00 C ATOM 2085 O LEU B 77 -16.103 -0.368 -2.545 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.755 -3.361 -2.502 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.572 -3.082 -1.569 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.054 -2.525 -0.252 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.767 -4.343 -1.333 1.00 0.00 C ATOM 0 H LEU B 77 -18.432 -3.374 -4.393 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.152 -1.676 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.388 -4.116 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.369 -3.794 -3.425 1.00 0.00 H new ATOM 0 HG LEU B 77 -14.931 -2.343 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.199 -2.333 0.397 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.593 -1.594 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.718 -3.245 0.226 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -13.932 -4.122 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.404 -5.101 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.385 -4.714 -2.284 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.530 -0.856 -4.696 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.565 0.151 -5.228 1.00 0.00 C ATOM 2103 C TRP B 78 -14.891 0.972 -4.132 1.00 0.00 C ATOM 2104 O TRP B 78 -13.705 0.710 -3.847 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.189 1.103 -6.260 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.098 0.599 -7.663 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.234 -0.335 -8.146 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.915 0.994 -8.759 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.490 -0.576 -9.466 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.517 0.234 -9.868 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.954 1.905 -8.903 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -17.126 0.356 -11.103 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.560 2.036 -10.136 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.147 1.259 -11.225 1.00 0.00 C ATOM 2115 OXT TRP B 78 -15.549 1.865 -3.565 1.00 0.00 O ATOM 0 H TRP B 78 -17.043 -1.368 -5.413 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.805 -0.449 -5.729 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.237 1.265 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.693 2.071 -6.197 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.458 -0.816 -7.569 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.997 -1.248 -10.054 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.282 2.501 -8.064 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.807 -0.242 -11.944 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.363 2.747 -10.262 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.643 1.374 -12.178 1.00 0.00 H new