USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1124 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 17 HIS : no HD1:sc= -0.261 X(o=-1,f=-1.3) USER MOD Set 1.2: B 21 GLN : amide:sc= -0.735 X(o=-1,f=-0.71) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.95 K(o=-0.99,f=-2!) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.0395 X(o=-0.99,f=-1.2) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 7 SER OG : rot 11:sc= -0.537 USER MOD Single : A 8 SER OG : rot 90:sc= 1.08 USER MOD Single : A 10 GLN : amide:sc= -0.786 K(o=-0.79,f=-1.8!) USER MOD Single : A 13 CYS SG : rot 75:sc= -0.199 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.9) USER MOD Single : A 40 GLN :FLIP amide:sc= -4.65! C(o=-6.6!,f=-4.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.2 F(o=-8.4!,f=0.2) USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.685 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.0234 F(o=-0.63,f=-0.023) USER MOD Single : A 62 LYS NZ :NH3+ -137:sc= -2.1 (180deg=-4.73!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.46 F(o=-2.6!,f=-0.46) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0109) USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.00458) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -1.15 X(o=-1.2,f=-1.4) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.364 USER MOD Single : B 7 SER OG : rot 4:sc= -0.678 USER MOD Single : B 8 SER OG : rot 77:sc= 0.83 USER MOD Single : B 10 GLN : amide:sc= -0.815 K(o=-0.81,f=-1.9!) USER MOD Single : B 13 CYS SG : rot 75:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.92! C(o=-5.5!,f=-3.9!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 98:sc= 1.22 USER MOD Single : B 53 ASN :FLIP amide:sc= 0.217 F(o=-6.6!,f=0.22) USER MOD Single : B 58 THR OG1 : rot 76:sc= 0.468 USER MOD Single : B 59 HIS : no HD1:sc= -0.33 X(o=-0.33,f=0.023) USER MOD Single : B 62 LYS NZ :NH3+ -130:sc= -2 (180deg=-4.92!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.488 F(o=-2.5!,f=-0.49) USER MOD Single : B 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0168) USER MOD Single : B 70 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.00662) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.180 6.620 17.863 1.00 0.00 N ATOM 31 CA SER A 3 -6.295 7.384 17.002 1.00 0.00 C ATOM 32 C SER A 3 -5.623 6.440 16.002 1.00 0.00 C ATOM 33 O SER A 3 -5.403 6.856 14.856 1.00 0.00 O ATOM 34 CB SER A 3 -5.237 8.136 17.813 1.00 0.00 C ATOM 35 OG SER A 3 -4.399 8.936 16.984 1.00 0.00 O ATOM 0 HA SER A 3 -6.888 8.126 16.467 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.729 8.770 18.551 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.626 7.421 18.364 1.00 0.00 H new ATOM 0 HG SER A 3 -3.738 9.401 17.539 1.00 0.00 H new ATOM 41 N ASN A 4 -5.318 5.208 16.448 1.00 0.00 N ATOM 42 CA ASN A 4 -4.678 4.218 15.599 1.00 0.00 C ATOM 43 C ASN A 4 -5.468 4.086 14.295 1.00 0.00 C ATOM 44 O ASN A 4 -4.845 3.847 13.250 1.00 0.00 O ATOM 45 CB ASN A 4 -4.651 2.847 16.276 1.00 0.00 C ATOM 46 CG ASN A 4 -3.468 2.735 17.240 1.00 0.00 C ATOM 47 OD1 ASN A 4 -3.057 3.694 17.873 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.944 1.515 17.315 1.00 0.00 N ATOM 0 H ASN A 4 -5.510 4.885 17.396 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.656 4.546 15.409 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.583 2.687 16.818 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.584 2.065 15.520 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.150 1.338 17.930 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.336 0.756 16.758 1.00 0.00 H new ATOM 55 N THR A 5 -6.801 4.240 14.380 1.00 0.00 N ATOM 56 CA THR A 5 -7.664 4.139 13.215 1.00 0.00 C ATOM 57 C THR A 5 -7.350 5.285 12.252 1.00 0.00 C ATOM 58 O THR A 5 -7.359 5.051 11.034 1.00 0.00 O ATOM 59 CB THR A 5 -9.120 4.122 13.685 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.236 2.900 14.410 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.107 3.963 12.528 1.00 0.00 C ATOM 0 H THR A 5 -7.295 4.435 15.251 1.00 0.00 H new ATOM 0 HA THR A 5 -7.489 3.214 12.666 1.00 0.00 H new ATOM 0 HB THR A 5 -9.338 5.044 14.224 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.150 2.808 14.753 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.125 3.957 12.917 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.989 4.794 11.832 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.911 3.025 12.009 1.00 0.00 H new ATOM 69 N VAL A 6 -7.084 6.482 12.805 1.00 0.00 N ATOM 70 CA VAL A 6 -6.771 7.650 12.001 1.00 0.00 C ATOM 71 C VAL A 6 -5.437 7.428 11.285 1.00 0.00 C ATOM 72 O VAL A 6 -5.361 7.712 10.080 1.00 0.00 O ATOM 73 CB VAL A 6 -6.779 8.905 12.876 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.463 10.153 12.048 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.115 9.056 13.606 1.00 0.00 C ATOM 0 H VAL A 6 -7.083 6.654 13.810 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.530 7.801 11.234 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.997 8.794 13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.475 11.031 12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.477 10.049 11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.212 10.269 11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.094 9.956 14.221 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.921 9.134 12.877 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.283 8.186 14.241 1.00 0.00 H new ATOM 85 N SER A 7 -4.431 6.934 12.027 1.00 0.00 N ATOM 86 CA SER A 7 -3.115 6.678 11.466 1.00 0.00 C ATOM 87 C SER A 7 -3.230 5.619 10.368 1.00 0.00 C ATOM 88 O SER A 7 -2.701 5.848 9.270 1.00 0.00 O ATOM 89 CB SER A 7 -2.127 6.221 12.542 1.00 0.00 C ATOM 90 OG SER A 7 -2.679 5.207 13.378 1.00 0.00 O ATOM 0 H SER A 7 -4.515 6.707 13.018 1.00 0.00 H new ATOM 0 HA SER A 7 -2.733 7.607 11.043 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.221 5.845 12.066 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.835 7.075 13.153 1.00 0.00 H new ATOM 0 HG SER A 7 -3.515 4.879 12.986 1.00 0.00 H new ATOM 96 N SER A 8 -3.908 4.500 10.679 1.00 0.00 N ATOM 97 CA SER A 8 -4.089 3.419 9.725 1.00 0.00 C ATOM 98 C SER A 8 -4.735 3.971 8.452 1.00 0.00 C ATOM 99 O SER A 8 -4.372 3.509 7.360 1.00 0.00 O ATOM 100 CB SER A 8 -4.946 2.294 10.309 1.00 0.00 C ATOM 101 OG SER A 8 -4.463 1.858 11.577 1.00 0.00 O ATOM 0 H SER A 8 -4.336 4.331 11.589 1.00 0.00 H new ATOM 0 HA SER A 8 -3.112 2.998 9.490 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.975 2.638 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.959 1.452 9.617 1.00 0.00 H new ATOM 0 HG SER A 8 -4.881 2.389 12.287 1.00 0.00 H new ATOM 107 N PHE A 9 -5.661 4.932 8.613 1.00 0.00 N ATOM 108 CA PHE A 9 -6.346 5.539 7.485 1.00 0.00 C ATOM 109 C PHE A 9 -5.344 6.348 6.660 1.00 0.00 C ATOM 110 O PHE A 9 -5.288 6.146 5.438 1.00 0.00 O ATOM 111 CB PHE A 9 -7.481 6.442 8.007 1.00 0.00 C ATOM 112 CG PHE A 9 -8.489 6.870 6.948 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.990 5.931 6.018 1.00 0.00 C ATOM 114 CD2 PHE A 9 -8.925 8.215 6.888 1.00 0.00 C ATOM 115 CE1 PHE A 9 -9.921 6.332 5.036 1.00 0.00 C ATOM 116 CE2 PHE A 9 -9.855 8.615 5.905 1.00 0.00 C ATOM 117 CZ PHE A 9 -10.354 7.674 4.980 1.00 0.00 C ATOM 0 H PHE A 9 -5.945 5.298 9.522 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.778 4.768 6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.010 5.916 8.802 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.042 7.334 8.453 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.659 4.904 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.545 8.937 7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.302 5.612 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.185 9.642 5.861 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.067 7.981 4.229 1.00 0.00 H new ATOM 127 N GLN A 10 -4.585 7.232 7.331 1.00 0.00 N ATOM 128 CA GLN A 10 -3.595 8.061 6.664 1.00 0.00 C ATOM 129 C GLN A 10 -2.679 7.174 5.819 1.00 0.00 C ATOM 130 O GLN A 10 -2.345 7.574 4.695 1.00 0.00 O ATOM 131 CB GLN A 10 -2.787 8.887 7.667 1.00 0.00 C ATOM 132 CG GLN A 10 -3.276 10.336 7.703 1.00 0.00 C ATOM 133 CD GLN A 10 -3.337 10.859 9.140 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.419 10.694 9.927 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.465 11.496 9.437 1.00 0.00 N ATOM 0 H GLN A 10 -4.647 7.383 8.338 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.111 8.767 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.873 8.446 8.660 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.731 8.862 7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.609 10.963 7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.263 10.402 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.194 11.599 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.602 11.882 10.371 1.00 0.00 H new ATOM 144 N VAL A 11 -2.298 6.007 6.368 1.00 0.00 N ATOM 145 CA VAL A 11 -1.430 5.075 5.669 1.00 0.00 C ATOM 146 C VAL A 11 -2.138 4.569 4.411 1.00 0.00 C ATOM 147 O VAL A 11 -1.562 4.690 3.320 1.00 0.00 O ATOM 148 CB VAL A 11 -1.007 3.945 6.611 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.530 2.724 5.824 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.068 4.422 7.590 1.00 0.00 C ATOM 0 H VAL A 11 -2.585 5.697 7.296 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.515 5.574 5.349 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.880 3.648 7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.236 1.936 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.338 2.363 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.324 3.001 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.351 3.600 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.943 4.759 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.323 5.246 8.186 1.00 0.00 H new ATOM 160 N ASP A 12 -3.355 4.021 4.584 1.00 0.00 N ATOM 161 CA ASP A 12 -4.132 3.503 3.470 1.00 0.00 C ATOM 162 C ASP A 12 -4.282 4.594 2.408 1.00 0.00 C ATOM 163 O ASP A 12 -4.272 4.261 1.214 1.00 0.00 O ATOM 164 CB ASP A 12 -5.532 3.087 3.923 1.00 0.00 C ATOM 165 CG ASP A 12 -5.662 1.627 4.362 1.00 0.00 C ATOM 166 OD1 ASP A 12 -4.695 0.854 4.303 1.00 0.00 O ATOM 167 OD2 ASP A 12 -6.834 1.287 4.784 1.00 0.00 O ATOM 0 H ASP A 12 -3.812 3.931 5.491 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.610 2.634 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.835 3.728 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.231 3.269 3.106 1.00 0.00 H new ATOM 172 N CYS A 13 -4.418 5.856 2.856 1.00 0.00 N ATOM 173 CA CYS A 13 -4.569 6.982 1.950 1.00 0.00 C ATOM 174 C CYS A 13 -3.319 7.099 1.075 1.00 0.00 C ATOM 175 O CYS A 13 -3.455 7.053 -0.156 1.00 0.00 O ATOM 176 CB CYS A 13 -4.850 8.275 2.719 1.00 0.00 C ATOM 177 SG CYS A 13 -6.573 8.480 3.260 1.00 0.00 S ATOM 0 H CYS A 13 -4.425 6.109 3.844 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.429 6.811 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.202 8.308 3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.578 9.122 2.089 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.803 7.705 4.278 1.00 0.00 H new ATOM 183 N PHE A 14 -2.146 7.245 1.717 1.00 0.00 N ATOM 184 CA PHE A 14 -0.887 7.367 1.002 1.00 0.00 C ATOM 185 C PHE A 14 -0.712 6.160 0.078 1.00 0.00 C ATOM 186 O PHE A 14 -0.279 6.353 -1.068 1.00 0.00 O ATOM 187 CB PHE A 14 0.268 7.450 2.019 1.00 0.00 C ATOM 188 CG PHE A 14 1.648 7.625 1.398 1.00 0.00 C ATOM 189 CD1 PHE A 14 2.024 8.870 0.845 1.00 0.00 C ATOM 190 CD2 PHE A 14 2.563 6.545 1.378 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.304 9.035 0.274 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.842 6.711 0.806 1.00 0.00 C ATOM 193 CZ PHE A 14 4.213 7.956 0.254 1.00 0.00 C ATOM 0 H PHE A 14 -2.056 7.280 2.732 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.884 8.273 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.080 8.284 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.268 6.543 2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.330 9.697 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.281 5.592 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.588 9.988 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.538 5.885 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.192 8.083 -0.183 1.00 0.00 H new ATOM 203 N LEU A 15 -1.045 4.960 0.585 1.00 0.00 N ATOM 204 CA LEU A 15 -0.925 3.736 -0.188 1.00 0.00 C ATOM 205 C LEU A 15 -1.776 3.854 -1.455 1.00 0.00 C ATOM 206 O LEU A 15 -1.249 3.590 -2.546 1.00 0.00 O ATOM 207 CB LEU A 15 -1.271 2.521 0.673 1.00 0.00 C ATOM 208 CG LEU A 15 -0.274 2.179 1.782 1.00 0.00 C ATOM 209 CD1 LEU A 15 -0.329 0.690 2.129 1.00 0.00 C ATOM 210 CD2 LEU A 15 1.139 2.629 1.407 1.00 0.00 C ATOM 0 H LEU A 15 -1.400 4.824 1.532 1.00 0.00 H new ATOM 0 HA LEU A 15 0.106 3.587 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.247 2.689 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.369 1.654 0.020 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.559 2.729 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.389 0.474 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.332 0.433 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.084 0.101 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.828 2.374 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.450 2.127 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.148 3.708 1.250 1.00 0.00 H new ATOM 222 N TRP A 16 -3.053 4.242 -1.290 1.00 0.00 N ATOM 223 CA TRP A 16 -3.964 4.391 -2.412 1.00 0.00 C ATOM 224 C TRP A 16 -3.326 5.304 -3.462 1.00 0.00 C ATOM 225 O TRP A 16 -3.466 5.012 -4.659 1.00 0.00 O ATOM 226 CB TRP A 16 -5.323 4.898 -1.927 1.00 0.00 C ATOM 227 CG TRP A 16 -6.389 4.966 -3.022 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.362 4.083 -3.284 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.551 6.016 -3.999 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.136 4.484 -4.353 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.627 5.697 -4.803 1.00 0.00 C ATOM 232 CE3 TRP A 16 -5.813 7.196 -4.198 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.062 6.507 -5.859 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.260 7.994 -5.258 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.341 7.687 -6.075 1.00 0.00 C ATOM 0 H TRP A 16 -3.468 4.456 -0.383 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.146 3.425 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.678 4.247 -1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.196 5.891 -1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.521 3.171 -2.728 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.935 3.983 -4.742 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.968 7.466 -3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.908 6.236 -6.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.727 8.913 -5.454 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.624 8.356 -6.874 1.00 0.00 H new ATOM 246 N HIS A 17 -2.651 6.372 -3.001 1.00 0.00 N ATOM 247 CA HIS A 17 -2.000 7.315 -3.895 1.00 0.00 C ATOM 248 C HIS A 17 -0.938 6.582 -4.717 1.00 0.00 C ATOM 249 O HIS A 17 -1.057 6.565 -5.952 1.00 0.00 O ATOM 250 CB HIS A 17 -1.432 8.503 -3.117 1.00 0.00 C ATOM 251 CG HIS A 17 -0.930 9.627 -3.993 1.00 0.00 C ATOM 252 ND1 HIS A 17 0.027 10.535 -3.572 1.00 0.00 N ATOM 253 CD2 HIS A 17 -1.259 9.978 -5.269 1.00 0.00 C ATOM 254 CE1 HIS A 17 0.253 11.391 -4.558 1.00 0.00 C ATOM 255 NE2 HIS A 17 -0.544 11.044 -5.609 1.00 0.00 N ATOM 0 H HIS A 17 -2.548 6.594 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.731 7.731 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.203 8.891 -2.452 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.614 8.154 -2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.979 9.474 -5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.947 12.218 -4.534 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.584 11.524 -6.508 1.00 0.00 H new ATOM 263 N VAL A 18 0.061 6.001 -4.031 1.00 0.00 N ATOM 264 CA VAL A 18 1.131 5.275 -4.693 1.00 0.00 C ATOM 265 C VAL A 18 0.527 4.278 -5.683 1.00 0.00 C ATOM 266 O VAL A 18 1.051 4.166 -6.802 1.00 0.00 O ATOM 267 CB VAL A 18 2.035 4.612 -3.653 1.00 0.00 C ATOM 268 CG1 VAL A 18 3.086 3.726 -4.325 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.694 5.657 -2.752 1.00 0.00 C ATOM 0 H VAL A 18 0.140 6.027 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 18 1.761 5.958 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 18 1.411 3.975 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.716 3.267 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.589 2.947 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.703 4.332 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.331 5.158 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.297 6.332 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.924 6.227 -2.232 1.00 0.00 H new ATOM 279 N ARG A 19 -0.545 3.584 -5.261 1.00 0.00 N ATOM 280 CA ARG A 19 -1.211 2.606 -6.105 1.00 0.00 C ATOM 281 C ARG A 19 -1.681 3.287 -7.393 1.00 0.00 C ATOM 282 O ARG A 19 -1.344 2.792 -8.478 1.00 0.00 O ATOM 283 CB ARG A 19 -2.415 1.978 -5.399 1.00 0.00 C ATOM 284 CG ARG A 19 -1.964 1.002 -4.311 1.00 0.00 C ATOM 285 CD ARG A 19 -3.168 0.361 -3.617 1.00 0.00 C ATOM 286 NE ARG A 19 -3.025 0.475 -2.149 1.00 0.00 N ATOM 287 CZ ARG A 19 -3.539 -0.411 -1.268 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.224 -1.465 -1.731 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.366 -0.237 0.050 1.00 0.00 N ATOM 0 H ARG A 19 -0.961 3.691 -4.336 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.498 1.813 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.031 2.761 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.036 1.456 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.337 0.226 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.353 1.527 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.087 0.850 -3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.247 -0.688 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.506 1.272 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.351 -1.589 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.618 -2.143 -1.079 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.843 0.569 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.757 -0.910 0.709 1.00 0.00 H new ATOM 303 N LYS A 20 -2.439 4.389 -7.249 1.00 0.00 N ATOM 304 CA LYS A 20 -2.947 5.127 -8.393 1.00 0.00 C ATOM 305 C LYS A 20 -1.794 5.443 -9.346 1.00 0.00 C ATOM 306 O LYS A 20 -2.021 5.454 -10.564 1.00 0.00 O ATOM 307 CB LYS A 20 -3.722 6.363 -7.931 1.00 0.00 C ATOM 308 CG LYS A 20 -4.260 7.151 -9.126 1.00 0.00 C ATOM 309 CD LYS A 20 -5.612 6.598 -9.583 1.00 0.00 C ATOM 310 CE LYS A 20 -5.788 6.761 -11.094 1.00 0.00 C ATOM 311 NZ LYS A 20 -6.486 8.020 -11.400 1.00 0.00 N ATOM 0 H LYS A 20 -2.707 4.779 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.661 4.521 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.549 6.059 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.072 7.002 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.365 8.202 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.547 7.103 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.687 5.544 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.416 7.117 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.814 6.751 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.353 5.919 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.597 8.114 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.424 8.015 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.932 8.821 -11.037 1.00 0.00 H new ATOM 325 N GLN A 21 -0.598 5.693 -8.781 1.00 0.00 N ATOM 326 CA GLN A 21 0.578 6.007 -9.575 1.00 0.00 C ATOM 327 C GLN A 21 1.015 4.759 -10.346 1.00 0.00 C ATOM 328 O GLN A 21 1.440 4.900 -11.502 1.00 0.00 O ATOM 329 CB GLN A 21 1.717 6.540 -8.704 1.00 0.00 C ATOM 330 CG GLN A 21 1.746 8.070 -8.717 1.00 0.00 C ATOM 331 CD GLN A 21 1.901 8.627 -7.300 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.761 9.445 -7.018 1.00 0.00 O ATOM 333 NE2 GLN A 21 1.024 8.139 -6.428 1.00 0.00 N ATOM 0 H GLN A 21 -0.433 5.681 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 21 0.323 6.796 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.595 6.184 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.669 6.151 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.570 8.416 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.827 8.451 -9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.330 7.456 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.046 8.448 -5.456 1.00 0.00 H new ATOM 342 N VAL A 22 0.905 3.584 -9.703 1.00 0.00 N ATOM 343 CA VAL A 22 1.286 2.327 -10.324 1.00 0.00 C ATOM 344 C VAL A 22 0.369 2.053 -11.517 1.00 0.00 C ATOM 345 O VAL A 22 0.865 1.566 -12.544 1.00 0.00 O ATOM 346 CB VAL A 22 1.267 1.202 -9.286 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.459 -0.162 -9.951 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.323 1.438 -8.203 1.00 0.00 C ATOM 0 H VAL A 22 0.553 3.490 -8.750 1.00 0.00 H new ATOM 0 HA VAL A 22 2.306 2.384 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 22 0.288 1.205 -8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.441 -0.943 -9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.655 -0.334 -10.667 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.417 -0.182 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.289 0.625 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.312 1.475 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.122 2.383 -7.698 1.00 0.00 H new ATOM 358 N VAL A 23 -0.930 2.368 -11.362 1.00 0.00 N ATOM 359 CA VAL A 23 -1.904 2.158 -12.420 1.00 0.00 C ATOM 360 C VAL A 23 -1.651 3.161 -13.547 1.00 0.00 C ATOM 361 O VAL A 23 -1.770 2.774 -14.719 1.00 0.00 O ATOM 362 CB VAL A 23 -3.322 2.243 -11.850 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.365 2.212 -12.969 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.573 1.126 -10.835 1.00 0.00 C ATOM 0 H VAL A 23 -1.318 2.769 -10.508 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.798 1.160 -12.844 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.417 3.196 -11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.364 2.274 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.206 3.058 -13.638 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.269 1.282 -13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.588 1.210 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.449 0.158 -11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.861 1.213 -10.014 1.00 0.00 H new ATOM 374 N ASP A 24 -1.314 4.410 -13.178 1.00 0.00 N ATOM 375 CA ASP A 24 -1.047 5.455 -14.150 1.00 0.00 C ATOM 376 C ASP A 24 0.207 5.095 -14.950 1.00 0.00 C ATOM 377 O ASP A 24 0.405 5.672 -16.029 1.00 0.00 O ATOM 378 CB ASP A 24 -0.799 6.798 -13.461 1.00 0.00 C ATOM 379 CG ASP A 24 -2.060 7.602 -13.138 1.00 0.00 C ATOM 380 OD1 ASP A 24 -2.505 8.330 -14.104 1.00 0.00 O ATOM 381 OD2 ASP A 24 -2.590 7.535 -12.018 1.00 0.00 O ATOM 0 H ASP A 24 -1.223 4.709 -12.207 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.917 5.539 -14.801 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.253 6.619 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.154 7.403 -14.099 1.00 0.00 H new ATOM 386 N GLN A 25 1.016 4.164 -14.413 1.00 0.00 N ATOM 387 CA GLN A 25 2.238 3.733 -15.072 1.00 0.00 C ATOM 388 C GLN A 25 1.905 2.637 -16.086 1.00 0.00 C ATOM 389 O GLN A 25 2.837 2.116 -16.717 1.00 0.00 O ATOM 390 CB GLN A 25 3.280 3.249 -14.062 1.00 0.00 C ATOM 391 CG GLN A 25 4.026 4.428 -13.434 1.00 0.00 C ATOM 392 CD GLN A 25 5.539 4.241 -13.546 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.059 3.138 -13.516 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.217 5.378 -13.675 1.00 0.00 N ATOM 0 H GLN A 25 0.835 3.701 -13.522 1.00 0.00 H new ATOM 0 HA GLN A 25 2.674 4.585 -15.593 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.791 2.666 -13.281 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.990 2.587 -14.557 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.733 5.354 -13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.744 4.524 -12.385 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.720 6.269 -13.693 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.234 5.359 -13.756 1.00 0.00 H new ATOM 403 N GLU A 26 0.607 2.314 -16.222 1.00 0.00 N ATOM 404 CA GLU A 26 0.161 1.291 -17.151 1.00 0.00 C ATOM 405 C GLU A 26 0.774 -0.054 -16.755 1.00 0.00 C ATOM 406 O GLU A 26 1.370 -0.708 -17.623 1.00 0.00 O ATOM 407 CB GLU A 26 0.514 1.650 -18.596 1.00 0.00 C ATOM 408 CG GLU A 26 0.058 3.071 -18.935 1.00 0.00 C ATOM 409 CD GLU A 26 -0.382 3.172 -20.397 1.00 0.00 C ATOM 410 OE1 GLU A 26 0.345 2.509 -21.232 1.00 0.00 O ATOM 411 OE2 GLU A 26 -1.371 3.855 -20.702 1.00 0.00 O ATOM 0 H GLU A 26 -0.145 2.755 -15.693 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.925 1.221 -17.098 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.591 1.565 -18.743 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.042 0.941 -19.276 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.767 3.357 -18.283 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.871 3.772 -18.747 1.00 0.00 H new ATOM 418 N LEU A 27 0.618 -0.432 -15.474 1.00 0.00 N ATOM 419 CA LEU A 27 1.152 -1.687 -14.971 1.00 0.00 C ATOM 420 C LEU A 27 0.075 -2.404 -14.155 1.00 0.00 C ATOM 421 O LEU A 27 0.434 -3.241 -13.312 1.00 0.00 O ATOM 422 CB LEU A 27 2.450 -1.445 -14.199 1.00 0.00 C ATOM 423 CG LEU A 27 3.576 -0.761 -14.977 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.447 0.089 -14.049 1.00 0.00 C ATOM 425 CD2 LEU A 27 4.402 -1.785 -15.759 1.00 0.00 C ATOM 0 H LEU A 27 0.124 0.123 -14.775 1.00 0.00 H new ATOM 0 HA LEU A 27 1.418 -2.347 -15.797 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.221 -0.839 -13.323 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.817 -2.405 -13.835 1.00 0.00 H new ATOM 0 HG LEU A 27 3.127 -0.085 -15.705 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.239 0.564 -14.628 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.834 0.856 -13.576 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.889 -0.547 -13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.196 -1.273 -16.303 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.842 -2.503 -15.067 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.758 -2.309 -16.465 1.00 0.00 H new ATOM 437 N GLY A 28 -1.201 -2.070 -14.415 1.00 0.00 N ATOM 438 CA GLY A 28 -2.316 -2.677 -13.711 1.00 0.00 C ATOM 439 C GLY A 28 -2.690 -3.994 -14.395 1.00 0.00 C ATOM 440 O GLY A 28 -2.797 -4.006 -15.629 1.00 0.00 O ATOM 0 H GLY A 28 -1.474 -1.378 -15.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.048 -2.858 -12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.170 -2.000 -13.708 1.00 0.00 H new ATOM 444 N ASP A 29 -2.878 -5.057 -13.592 1.00 0.00 N ATOM 445 CA ASP A 29 -3.237 -6.364 -14.118 1.00 0.00 C ATOM 446 C ASP A 29 -4.755 -6.441 -14.290 1.00 0.00 C ATOM 447 O ASP A 29 -5.213 -6.590 -15.432 1.00 0.00 O ATOM 448 CB ASP A 29 -2.812 -7.478 -13.159 1.00 0.00 C ATOM 449 CG ASP A 29 -2.473 -7.016 -11.740 1.00 0.00 C ATOM 450 OD1 ASP A 29 -3.079 -6.071 -11.214 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.527 -7.678 -11.164 1.00 0.00 O ATOM 0 H ASP A 29 -2.784 -5.025 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.727 -6.495 -15.073 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.614 -8.214 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.942 -7.985 -13.577 1.00 0.00 H new ATOM 456 N ALA A 30 -5.494 -6.339 -13.171 1.00 0.00 N ATOM 457 CA ALA A 30 -6.946 -6.396 -13.198 1.00 0.00 C ATOM 458 C ALA A 30 -7.479 -6.401 -11.764 1.00 0.00 C ATOM 459 O ALA A 30 -8.443 -5.671 -11.492 1.00 0.00 O ATOM 460 CB ALA A 30 -7.397 -7.716 -13.828 1.00 0.00 C ATOM 0 H ALA A 30 -5.097 -6.217 -12.239 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.315 -5.539 -13.762 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.486 -7.757 -13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.013 -7.783 -14.846 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.013 -8.550 -13.240 1.00 0.00 H new ATOM 466 N PRO A 31 -6.852 -7.210 -10.891 1.00 0.00 N ATOM 467 CA PRO A 31 -7.234 -7.332 -9.495 1.00 0.00 C ATOM 468 C PRO A 31 -6.781 -6.109 -8.695 1.00 0.00 C ATOM 469 O PRO A 31 -7.533 -5.670 -7.812 1.00 0.00 O ATOM 470 CB PRO A 31 -6.586 -8.624 -9.022 1.00 0.00 C ATOM 471 CG PRO A 31 -5.492 -8.935 -10.029 1.00 0.00 C ATOM 472 CD PRO A 31 -5.718 -8.057 -11.249 1.00 0.00 C ATOM 0 HA PRO A 31 -8.314 -7.369 -9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.173 -8.510 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.315 -9.433 -8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.510 -8.743 -9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.517 -9.989 -10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.835 -7.461 -11.477 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.935 -8.656 -12.133 1.00 0.00 H new ATOM 480 N PHE A 32 -5.582 -5.590 -9.013 1.00 0.00 N ATOM 481 CA PHE A 32 -5.039 -4.429 -8.329 1.00 0.00 C ATOM 482 C PHE A 32 -5.921 -3.213 -8.616 1.00 0.00 C ATOM 483 O PHE A 32 -6.208 -2.458 -7.675 1.00 0.00 O ATOM 484 CB PHE A 32 -3.596 -4.184 -8.813 1.00 0.00 C ATOM 485 CG PHE A 32 -3.034 -2.812 -8.463 1.00 0.00 C ATOM 486 CD1 PHE A 32 -3.219 -2.273 -7.169 1.00 0.00 C ATOM 487 CD2 PHE A 32 -2.327 -2.067 -9.436 1.00 0.00 C ATOM 488 CE1 PHE A 32 -2.699 -1.000 -6.851 1.00 0.00 C ATOM 489 CE2 PHE A 32 -1.809 -0.795 -9.117 1.00 0.00 C ATOM 490 CZ PHE A 32 -1.994 -0.261 -7.824 1.00 0.00 C ATOM 0 H PHE A 32 -4.978 -5.966 -9.744 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.023 -4.600 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.948 -4.948 -8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.563 -4.310 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.759 -2.836 -6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.184 -2.474 -10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.841 -0.591 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.270 -0.229 -9.863 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.596 0.713 -7.580 1.00 0.00 H new ATOM 500 N LEU A 33 -6.329 -3.052 -9.887 1.00 0.00 N ATOM 501 CA LEU A 33 -7.171 -1.939 -10.290 1.00 0.00 C ATOM 502 C LEU A 33 -8.537 -2.066 -9.612 1.00 0.00 C ATOM 503 O LEU A 33 -9.000 -1.076 -9.029 1.00 0.00 O ATOM 504 CB LEU A 33 -7.249 -1.850 -11.815 1.00 0.00 C ATOM 505 CG LEU A 33 -7.896 -0.585 -12.383 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.482 0.649 -11.578 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.584 -0.430 -13.872 1.00 0.00 C ATOM 0 H LEU A 33 -6.082 -3.687 -10.646 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.737 -0.995 -9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.238 -1.928 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.804 -2.714 -12.181 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.978 -0.683 -12.291 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.955 1.535 -12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.797 0.530 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.399 0.762 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.056 0.477 -14.250 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.505 -0.363 -14.013 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.968 -1.293 -14.416 1.00 0.00 H new ATOM 519 N ASP A 34 -9.144 -3.263 -9.700 1.00 0.00 N ATOM 520 CA ASP A 34 -10.443 -3.515 -9.100 1.00 0.00 C ATOM 521 C ASP A 34 -10.382 -3.182 -7.607 1.00 0.00 C ATOM 522 O ASP A 34 -11.316 -2.537 -7.109 1.00 0.00 O ATOM 523 CB ASP A 34 -10.840 -4.985 -9.241 1.00 0.00 C ATOM 524 CG ASP A 34 -12.218 -5.340 -8.678 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.965 -4.330 -8.387 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.559 -6.522 -8.524 1.00 0.00 O ATOM 0 H ASP A 34 -8.744 -4.066 -10.185 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.178 -2.894 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.816 -5.252 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.091 -5.598 -8.740 1.00 0.00 H new ATOM 531 N ARG A 35 -9.303 -3.622 -6.936 1.00 0.00 N ATOM 532 CA ARG A 35 -9.126 -3.373 -5.516 1.00 0.00 C ATOM 533 C ARG A 35 -9.012 -1.866 -5.276 1.00 0.00 C ATOM 534 O ARG A 35 -9.563 -1.384 -4.276 1.00 0.00 O ATOM 535 CB ARG A 35 -7.873 -4.065 -4.973 1.00 0.00 C ATOM 536 CG ARG A 35 -8.077 -5.579 -4.889 1.00 0.00 C ATOM 537 CD ARG A 35 -6.739 -6.317 -4.960 1.00 0.00 C ATOM 538 NE ARG A 35 -5.647 -5.429 -4.504 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.909 -5.643 -3.393 1.00 0.00 C ATOM 540 NH1 ARG A 35 -5.166 -6.723 -2.642 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.935 -4.790 -3.047 1.00 0.00 N ATOM 0 H ARG A 35 -8.545 -4.152 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.992 -3.779 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.023 -3.844 -5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.635 -3.671 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.586 -5.830 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.722 -5.908 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.774 -7.212 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.549 -6.645 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.438 -4.603 -5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.909 -7.367 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.619 -6.900 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.746 -3.971 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.383 -4.960 -2.206 1.00 0.00 H new ATOM 555 N LEU A 36 -8.309 -1.164 -6.184 1.00 0.00 N ATOM 556 CA LEU A 36 -8.127 0.273 -6.072 1.00 0.00 C ATOM 557 C LEU A 36 -9.493 0.961 -6.110 1.00 0.00 C ATOM 558 O LEU A 36 -9.706 1.890 -5.317 1.00 0.00 O ATOM 559 CB LEU A 36 -7.156 0.774 -7.144 1.00 0.00 C ATOM 560 CG LEU A 36 -6.824 2.267 -7.102 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.123 2.637 -5.794 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.006 2.681 -8.328 1.00 0.00 C ATOM 0 H LEU A 36 -7.862 -1.581 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.669 0.526 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.226 0.212 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.576 0.543 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.759 2.826 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.898 3.704 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.774 2.401 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.196 2.071 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.783 3.747 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.074 2.116 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.578 2.475 -9.233 1.00 0.00 H new ATOM 574 N ARG A 37 -10.374 0.500 -7.014 1.00 0.00 N ATOM 575 CA ARG A 37 -11.705 1.067 -7.151 1.00 0.00 C ATOM 576 C ARG A 37 -12.481 0.856 -5.849 1.00 0.00 C ATOM 577 O ARG A 37 -12.949 1.850 -5.273 1.00 0.00 O ATOM 578 CB ARG A 37 -12.476 0.426 -8.306 1.00 0.00 C ATOM 579 CG ARG A 37 -11.954 0.921 -9.656 1.00 0.00 C ATOM 580 CD ARG A 37 -12.051 -0.176 -10.718 1.00 0.00 C ATOM 581 NE ARG A 37 -13.471 -0.485 -10.998 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.907 -1.666 -11.484 1.00 0.00 C ATOM 583 NH1 ARG A 37 -13.016 -2.635 -11.735 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.212 -1.869 -11.711 1.00 0.00 N ATOM 0 H ARG A 37 -10.177 -0.266 -7.658 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.598 2.131 -7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.383 -0.659 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.537 0.660 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.527 1.792 -9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.917 1.242 -9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.553 0.147 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.536 -1.073 -10.374 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.164 0.240 -10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.024 -2.474 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.329 -3.533 -12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.885 -1.128 -11.516 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.532 -2.765 -12.079 1.00 0.00 H new ATOM 598 N ARG A 38 -12.600 -0.413 -5.418 1.00 0.00 N ATOM 599 CA ARG A 38 -13.312 -0.748 -4.197 1.00 0.00 C ATOM 600 C ARG A 38 -12.680 0.001 -3.021 1.00 0.00 C ATOM 601 O ARG A 38 -13.407 0.332 -2.073 1.00 0.00 O ATOM 602 CB ARG A 38 -13.273 -2.251 -3.916 1.00 0.00 C ATOM 603 CG ARG A 38 -13.723 -3.049 -5.141 1.00 0.00 C ATOM 604 CD ARG A 38 -14.607 -4.229 -4.733 1.00 0.00 C ATOM 605 NE ARG A 38 -15.999 -3.997 -5.181 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.894 -4.982 -5.409 1.00 0.00 C ATOM 607 NH1 ARG A 38 -16.521 -6.255 -5.224 1.00 0.00 N ATOM 608 NH2 ARG A 38 -18.137 -4.690 -5.814 1.00 0.00 N ATOM 0 H ARG A 38 -12.207 -1.217 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.354 -0.453 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.262 -2.546 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.918 -2.483 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.271 -2.398 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.850 -3.414 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.224 -5.150 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.581 -4.357 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.301 -3.033 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.573 -6.469 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.185 -7.011 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.413 -3.718 -5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.807 -5.440 -5.984 1.00 0.00 H new ATOM 622 N ASP A 39 -11.361 0.248 -3.105 1.00 0.00 N ATOM 623 CA ASP A 39 -10.641 0.950 -2.056 1.00 0.00 C ATOM 624 C ASP A 39 -11.029 2.431 -2.080 1.00 0.00 C ATOM 625 O ASP A 39 -11.129 3.031 -1.000 1.00 0.00 O ATOM 626 CB ASP A 39 -9.128 0.855 -2.266 1.00 0.00 C ATOM 627 CG ASP A 39 -8.468 -0.383 -1.657 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.093 -1.449 -1.542 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.244 -0.222 -1.286 1.00 0.00 O ATOM 0 H ASP A 39 -10.781 -0.034 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.902 0.490 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.923 0.868 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.661 1.744 -1.841 1.00 0.00 H new ATOM 634 N GLN A 40 -11.237 2.978 -3.289 1.00 0.00 N ATOM 635 CA GLN A 40 -11.609 4.374 -3.449 1.00 0.00 C ATOM 636 C GLN A 40 -12.986 4.604 -2.822 1.00 0.00 C ATOM 637 O GLN A 40 -13.134 5.573 -2.063 1.00 0.00 O ATOM 638 CB GLN A 40 -11.600 4.794 -4.920 1.00 0.00 C ATOM 639 CG GLN A 40 -12.016 6.258 -5.076 1.00 0.00 C ATOM 640 CD GLN A 40 -10.801 7.185 -4.995 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.203 7.189 -3.807 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.431 7.850 -5.947 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.151 2.464 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.872 4.993 -2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.603 4.649 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.278 4.157 -5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.520 6.397 -6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.732 6.521 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.936 7.800 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.616 8.457 -5.859 1.00 0.00 H new ATOM 651 N LYS A 41 -13.950 3.724 -3.146 1.00 0.00 N ATOM 652 CA LYS A 41 -15.300 3.832 -2.618 1.00 0.00 C ATOM 653 C LYS A 41 -15.249 3.805 -1.090 1.00 0.00 C ATOM 654 O LYS A 41 -15.944 4.618 -0.462 1.00 0.00 O ATOM 655 CB LYS A 41 -16.199 2.751 -3.222 1.00 0.00 C ATOM 656 CG LYS A 41 -16.705 3.168 -4.604 1.00 0.00 C ATOM 657 CD LYS A 41 -18.232 3.087 -4.676 1.00 0.00 C ATOM 658 CE LYS A 41 -18.880 4.223 -3.883 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.015 4.791 -4.628 1.00 0.00 N ATOM 0 H LYS A 41 -13.808 2.932 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.747 4.784 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.646 1.815 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.046 2.566 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.380 4.185 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.267 2.523 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.553 3.136 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.568 2.127 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.221 3.851 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.143 5.001 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.443 5.561 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.680 5.164 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.725 4.050 -4.797 1.00 0.00 H new ATOM 673 N SER A 42 -14.440 2.888 -0.530 1.00 0.00 N ATOM 674 CA SER A 42 -14.302 2.760 0.911 1.00 0.00 C ATOM 675 C SER A 42 -13.588 3.996 1.463 1.00 0.00 C ATOM 676 O SER A 42 -13.950 4.447 2.558 1.00 0.00 O ATOM 677 CB SER A 42 -13.536 1.491 1.290 1.00 0.00 C ATOM 678 OG SER A 42 -13.554 1.256 2.695 1.00 0.00 O ATOM 0 H SER A 42 -13.875 2.228 -1.065 1.00 0.00 H new ATOM 0 HA SER A 42 -15.298 2.684 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.973 0.636 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.504 1.575 0.950 1.00 0.00 H new ATOM 0 HG SER A 42 -13.056 0.436 2.896 1.00 0.00 H new ATOM 684 N LEU A 43 -12.602 4.510 0.705 1.00 0.00 N ATOM 685 CA LEU A 43 -11.847 5.681 1.115 1.00 0.00 C ATOM 686 C LEU A 43 -12.783 6.890 1.179 1.00 0.00 C ATOM 687 O LEU A 43 -12.600 7.731 2.071 1.00 0.00 O ATOM 688 CB LEU A 43 -10.639 5.888 0.199 1.00 0.00 C ATOM 689 CG LEU A 43 -9.273 5.562 0.807 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.954 4.072 0.672 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.179 6.441 0.198 1.00 0.00 C ATOM 0 H LEU A 43 -12.318 4.123 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.439 5.539 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.774 5.274 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.630 6.928 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.310 5.787 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.978 3.868 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.715 3.489 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.941 3.797 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.218 6.189 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.132 6.271 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.406 7.490 0.390 1.00 0.00 H new ATOM 703 N ARG A 44 -13.752 6.951 0.248 1.00 0.00 N ATOM 704 CA ARG A 44 -14.705 8.047 0.200 1.00 0.00 C ATOM 705 C ARG A 44 -15.626 7.969 1.419 1.00 0.00 C ATOM 706 O ARG A 44 -15.960 9.027 1.974 1.00 0.00 O ATOM 707 CB ARG A 44 -15.552 8.001 -1.073 1.00 0.00 C ATOM 708 CG ARG A 44 -14.880 8.780 -2.206 1.00 0.00 C ATOM 709 CD ARG A 44 -14.779 7.926 -3.472 1.00 0.00 C ATOM 710 NE ARG A 44 -16.024 8.044 -4.263 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.058 8.173 -5.607 1.00 0.00 C ATOM 712 NH1 ARG A 44 -14.903 8.197 -6.287 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.228 8.274 -6.252 1.00 0.00 N ATOM 0 H ARG A 44 -13.886 6.247 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.145 8.982 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.702 6.965 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.538 8.420 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.449 9.685 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.884 9.095 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.926 8.247 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.606 6.884 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.912 8.027 -3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.016 8.118 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.911 8.294 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.103 8.254 -5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.244 8.371 -7.267 1.00 0.00 H new ATOM 727 N GLY A 45 -16.011 6.740 1.807 1.00 0.00 N ATOM 728 CA GLY A 45 -16.884 6.531 2.950 1.00 0.00 C ATOM 729 C GLY A 45 -16.171 6.993 4.222 1.00 0.00 C ATOM 730 O GLY A 45 -16.807 7.675 5.040 1.00 0.00 O ATOM 0 H GLY A 45 -15.724 5.881 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.813 7.085 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.150 5.477 3.031 1.00 0.00 H new ATOM 734 N ARG A 46 -14.886 6.620 4.362 1.00 0.00 N ATOM 735 CA ARG A 46 -14.098 6.994 5.525 1.00 0.00 C ATOM 736 C ARG A 46 -13.789 8.491 5.465 1.00 0.00 C ATOM 737 O ARG A 46 -13.778 9.133 6.525 1.00 0.00 O ATOM 738 CB ARG A 46 -12.785 6.211 5.590 1.00 0.00 C ATOM 739 CG ARG A 46 -13.035 4.755 5.989 1.00 0.00 C ATOM 740 CD ARG A 46 -11.752 4.101 6.507 1.00 0.00 C ATOM 741 NE ARG A 46 -12.080 3.089 7.536 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.275 2.778 8.575 1.00 0.00 C ATOM 743 NH1 ARG A 46 -10.103 3.414 8.701 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.645 1.849 9.466 1.00 0.00 N ATOM 0 H ARG A 46 -14.381 6.059 3.676 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.678 6.759 6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.288 6.246 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.113 6.679 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.806 4.712 6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.410 4.198 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.214 3.633 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.092 4.859 6.928 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.969 2.596 7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.830 4.121 8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.483 3.191 9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.540 1.371 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.032 1.620 10.248 1.00 0.00 H new ATOM 758 N GLY A 47 -13.547 9.008 4.247 1.00 0.00 N ATOM 759 CA GLY A 47 -13.241 10.416 4.055 1.00 0.00 C ATOM 760 C GLY A 47 -14.440 11.258 4.494 1.00 0.00 C ATOM 761 O GLY A 47 -14.225 12.332 5.075 1.00 0.00 O ATOM 0 H GLY A 47 -13.560 8.461 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.358 10.690 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.009 10.610 3.008 1.00 0.00 H new ATOM 765 N SER A 48 -15.659 10.764 4.214 1.00 0.00 N ATOM 766 CA SER A 48 -16.878 11.467 4.577 1.00 0.00 C ATOM 767 C SER A 48 -17.140 11.284 6.073 1.00 0.00 C ATOM 768 O SER A 48 -17.364 12.290 6.761 1.00 0.00 O ATOM 769 CB SER A 48 -18.074 10.971 3.764 1.00 0.00 C ATOM 770 OG SER A 48 -18.857 12.047 3.255 1.00 0.00 O ATOM 0 H SER A 48 -15.814 9.877 3.736 1.00 0.00 H new ATOM 0 HA SER A 48 -16.747 12.526 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.720 10.357 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.698 10.333 4.390 1.00 0.00 H new ATOM 0 HG SER A 48 -19.610 11.689 2.740 1.00 0.00 H new ATOM 776 N THR A 49 -17.106 10.023 6.540 1.00 0.00 N ATOM 777 CA THR A 49 -17.339 9.714 7.941 1.00 0.00 C ATOM 778 C THR A 49 -16.335 10.484 8.802 1.00 0.00 C ATOM 779 O THR A 49 -16.770 11.287 9.640 1.00 0.00 O ATOM 780 CB THR A 49 -17.261 8.197 8.127 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.295 7.691 7.288 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.673 7.757 9.533 1.00 0.00 C ATOM 0 H THR A 49 -16.918 9.207 5.957 1.00 0.00 H new ATOM 0 HA THR A 49 -18.332 10.029 8.261 1.00 0.00 H new ATOM 0 HB THR A 49 -16.245 7.859 7.924 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.920 7.451 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.600 6.672 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 49 -17.013 8.219 10.267 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.701 8.066 9.724 1.00 0.00 H new ATOM 790 N LEU A 50 -15.032 10.229 8.582 1.00 0.00 N ATOM 791 CA LEU A 50 -13.980 10.894 9.332 1.00 0.00 C ATOM 792 C LEU A 50 -13.961 12.380 8.968 1.00 0.00 C ATOM 793 O LEU A 50 -13.572 13.191 9.821 1.00 0.00 O ATOM 794 CB LEU A 50 -12.640 10.189 9.113 1.00 0.00 C ATOM 795 CG LEU A 50 -12.609 8.691 9.429 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.368 8.030 8.826 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.715 8.447 10.935 1.00 0.00 C ATOM 0 H LEU A 50 -14.694 9.564 7.887 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.176 10.831 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.346 10.327 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.887 10.685 9.726 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.479 8.225 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.370 6.966 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.377 8.159 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.472 8.493 9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.691 7.375 11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.878 8.928 11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.652 8.863 11.306 1.00 0.00 H new ATOM 809 N GLY A 51 -14.372 12.701 7.728 1.00 0.00 N ATOM 810 CA GLY A 51 -14.402 14.076 7.259 1.00 0.00 C ATOM 811 C GLY A 51 -12.969 14.595 7.125 1.00 0.00 C ATOM 812 O GLY A 51 -12.764 15.807 7.285 1.00 0.00 O ATOM 0 H GLY A 51 -14.686 12.017 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.913 14.134 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.963 14.698 7.956 1.00 0.00 H new ATOM 816 N LEU A 52 -12.022 13.684 6.839 1.00 0.00 N ATOM 817 CA LEU A 52 -10.624 14.047 6.686 1.00 0.00 C ATOM 818 C LEU A 52 -10.290 14.155 5.196 1.00 0.00 C ATOM 819 O LEU A 52 -10.805 13.341 4.416 1.00 0.00 O ATOM 820 CB LEU A 52 -9.729 13.068 7.448 1.00 0.00 C ATOM 821 CG LEU A 52 -9.494 13.385 8.926 1.00 0.00 C ATOM 822 CD1 LEU A 52 -8.810 12.215 9.636 1.00 0.00 C ATOM 823 CD2 LEU A 52 -8.714 14.691 9.090 1.00 0.00 C ATOM 0 H LEU A 52 -12.212 12.690 6.711 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.434 15.025 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.169 12.073 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.762 13.026 6.948 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.464 13.528 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.655 12.467 10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.440 11.328 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.848 12.016 9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.561 14.893 10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.747 14.602 8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.277 15.510 8.643 1.00 0.00 H new ATOM 835 N ASN A 53 -9.447 15.139 4.838 1.00 0.00 N ATOM 836 CA ASN A 53 -9.049 15.349 3.456 1.00 0.00 C ATOM 837 C ASN A 53 -8.098 14.230 3.029 1.00 0.00 C ATOM 838 O ASN A 53 -7.129 13.969 3.757 1.00 0.00 O ATOM 839 CB ASN A 53 -8.318 16.682 3.289 1.00 0.00 C ATOM 840 CG ASN A 53 -8.396 17.172 1.842 1.00 0.00 C ATOM 841 OD1 ASN A 53 -7.949 16.295 0.948 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -8.832 18.275 1.555 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.033 15.798 5.497 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.950 15.354 2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.756 17.427 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.274 16.568 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.160 18.901 2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.869 18.571 0.580 1.00 0.00 H new ATOM 849 N ILE A 54 -8.387 13.601 1.875 1.00 0.00 N ATOM 850 CA ILE A 54 -7.562 12.521 1.359 1.00 0.00 C ATOM 851 C ILE A 54 -6.179 13.068 1.000 1.00 0.00 C ATOM 852 O ILE A 54 -5.184 12.386 1.281 1.00 0.00 O ATOM 853 CB ILE A 54 -8.266 11.819 0.197 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.218 10.735 0.707 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.251 11.265 -0.805 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.269 11.327 1.648 1.00 0.00 C ATOM 0 H ILE A 54 -9.190 13.831 1.289 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.414 11.756 2.122 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.871 12.556 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.711 10.252 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.651 9.964 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.778 10.771 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.650 12.082 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.601 10.547 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.933 10.536 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.774 11.787 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.850 12.080 1.116 1.00 0.00 H new ATOM 868 N GLU A 55 -6.145 14.270 0.398 1.00 0.00 N ATOM 869 CA GLU A 55 -4.895 14.901 0.006 1.00 0.00 C ATOM 870 C GLU A 55 -4.048 15.162 1.253 1.00 0.00 C ATOM 871 O GLU A 55 -2.837 14.901 1.208 1.00 0.00 O ATOM 872 CB GLU A 55 -5.138 16.194 -0.774 1.00 0.00 C ATOM 873 CG GLU A 55 -5.704 15.898 -2.164 1.00 0.00 C ATOM 874 CD GLU A 55 -5.795 17.175 -3.002 1.00 0.00 C ATOM 875 OE1 GLU A 55 -4.898 18.065 -2.740 1.00 0.00 O ATOM 876 OE2 GLU A 55 -6.686 17.295 -3.854 1.00 0.00 O ATOM 0 H GLU A 55 -6.977 14.817 0.177 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.356 14.227 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.831 16.830 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.203 16.747 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.071 15.170 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.693 15.449 -2.070 1.00 0.00 H new ATOM 883 N ALA A 56 -4.690 15.664 2.323 1.00 0.00 N ATOM 884 CA ALA A 56 -4.001 15.957 3.568 1.00 0.00 C ATOM 885 C ALA A 56 -3.531 14.649 4.205 1.00 0.00 C ATOM 886 O ALA A 56 -2.419 14.626 4.754 1.00 0.00 O ATOM 887 CB ALA A 56 -4.977 16.591 4.561 1.00 0.00 C ATOM 0 H ALA A 56 -5.688 15.872 2.338 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.166 16.624 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.457 16.809 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.373 17.516 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.797 15.900 4.756 1.00 0.00 H new ATOM 893 N ALA A 57 -4.371 13.602 4.121 1.00 0.00 N ATOM 894 CA ALA A 57 -4.042 12.303 4.686 1.00 0.00 C ATOM 895 C ALA A 57 -2.832 11.724 3.952 1.00 0.00 C ATOM 896 O ALA A 57 -1.939 11.185 4.620 1.00 0.00 O ATOM 897 CB ALA A 57 -5.198 11.329 4.444 1.00 0.00 C ATOM 0 H ALA A 57 -5.282 13.641 3.664 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.845 12.429 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.949 10.356 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.102 11.712 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.368 11.225 3.372 1.00 0.00 H new ATOM 903 N THR A 58 -2.826 11.844 2.612 1.00 0.00 N ATOM 904 CA THR A 58 -1.736 11.336 1.797 1.00 0.00 C ATOM 905 C THR A 58 -0.439 12.047 2.189 1.00 0.00 C ATOM 906 O THR A 58 0.609 11.386 2.225 1.00 0.00 O ATOM 907 CB THR A 58 -2.104 11.511 0.323 1.00 0.00 C ATOM 908 OG1 THR A 58 -3.207 10.628 0.133 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.026 10.967 -0.618 1.00 0.00 C ATOM 0 H THR A 58 -3.572 12.292 2.080 1.00 0.00 H new ATOM 0 HA THR A 58 -1.572 10.272 1.965 1.00 0.00 H new ATOM 0 HB THR A 58 -2.270 12.568 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.025 11.048 0.473 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.337 11.116 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.089 11.495 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.884 9.902 -0.432 1.00 0.00 H new ATOM 917 N HIS A 59 -0.533 13.359 2.468 1.00 0.00 N ATOM 918 CA HIS A 59 0.624 14.150 2.852 1.00 0.00 C ATOM 919 C HIS A 59 1.201 13.601 4.159 1.00 0.00 C ATOM 920 O HIS A 59 2.374 13.198 4.163 1.00 0.00 O ATOM 921 CB HIS A 59 0.269 15.635 2.939 1.00 0.00 C ATOM 922 CG HIS A 59 0.233 16.337 1.604 1.00 0.00 C ATOM 923 ND1 HIS A 59 -0.291 15.948 0.405 1.00 0.00 N flip ATOM 924 CD2 HIS A 59 0.783 17.591 1.400 1.00 0.00 C flip ATOM 925 CE1 HIS A 59 -0.074 16.913 -0.480 1.00 0.00 C flip ATOM 926 NE2 HIS A 59 0.593 17.932 0.135 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.406 13.885 2.431 1.00 0.00 H new ATOM 0 HA HIS A 59 1.395 14.069 2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.705 15.738 3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.995 16.134 3.581 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -0.768 15.066 0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.283 18.190 2.147 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.376 16.895 -1.517 1.00 0.00 H new ATOM 934 N VAL A 60 0.381 13.595 5.225 1.00 0.00 N ATOM 935 CA VAL A 60 0.806 13.100 6.522 1.00 0.00 C ATOM 936 C VAL A 60 1.429 11.712 6.354 1.00 0.00 C ATOM 937 O VAL A 60 2.415 11.421 7.047 1.00 0.00 O ATOM 938 CB VAL A 60 -0.371 13.112 7.499 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.053 12.291 8.751 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.763 14.545 7.867 1.00 0.00 C ATOM 0 H VAL A 60 -0.582 13.931 5.201 1.00 0.00 H new ATOM 0 HA VAL A 60 1.570 13.751 6.947 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.224 12.648 7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.906 12.316 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.154 11.259 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.820 12.712 9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.602 14.525 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.085 15.045 8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.051 15.086 6.966 1.00 0.00 H new ATOM 950 N GLY A 61 0.851 10.898 5.453 1.00 0.00 N ATOM 951 CA GLY A 61 1.347 9.556 5.199 1.00 0.00 C ATOM 952 C GLY A 61 2.787 9.636 4.691 1.00 0.00 C ATOM 953 O GLY A 61 3.640 8.906 5.218 1.00 0.00 O ATOM 0 H GLY A 61 0.039 11.157 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.304 8.961 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.717 9.056 4.463 1.00 0.00 H new ATOM 957 N LYS A 62 3.027 10.506 3.694 1.00 0.00 N ATOM 958 CA LYS A 62 4.352 10.677 3.124 1.00 0.00 C ATOM 959 C LYS A 62 5.371 10.849 4.252 1.00 0.00 C ATOM 960 O LYS A 62 6.446 10.238 4.175 1.00 0.00 O ATOM 961 CB LYS A 62 4.356 11.825 2.111 1.00 0.00 C ATOM 962 CG LYS A 62 5.769 12.371 1.908 1.00 0.00 C ATOM 963 CD LYS A 62 6.679 11.318 1.270 1.00 0.00 C ATOM 964 CE LYS A 62 7.962 11.136 2.083 1.00 0.00 C ATOM 965 NZ LYS A 62 9.134 11.550 1.295 1.00 0.00 N ATOM 0 H LYS A 62 2.311 11.098 3.273 1.00 0.00 H new ATOM 0 HA LYS A 62 4.643 9.788 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.957 11.476 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.700 12.623 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.733 13.257 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.184 12.682 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.149 10.368 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.929 11.617 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.906 11.724 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.066 10.093 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.900 10.859 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.876 11.598 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.455 12.486 1.616 1.00 0.00 H new ATOM 979 N GLN A 63 5.019 11.667 5.262 1.00 0.00 N ATOM 980 CA GLN A 63 5.896 11.914 6.393 1.00 0.00 C ATOM 981 C GLN A 63 5.978 10.653 7.256 1.00 0.00 C ATOM 982 O GLN A 63 7.061 10.374 7.791 1.00 0.00 O ATOM 983 CB GLN A 63 5.424 13.113 7.218 1.00 0.00 C ATOM 984 CG GLN A 63 6.082 14.406 6.733 1.00 0.00 C ATOM 985 CD GLN A 63 5.476 14.865 5.405 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.156 14.722 5.335 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 6.162 15.320 4.504 1.00 0.00 N flip ATOM 0 H GLN A 63 4.129 12.163 5.306 1.00 0.00 H new ATOM 0 HA GLN A 63 6.890 12.158 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.340 13.204 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.662 12.952 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.956 15.186 7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.154 14.250 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.172 15.403 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.726 15.618 3.631 1.00 0.00 H new ATOM 996 N ILE A 64 4.852 9.928 7.371 1.00 0.00 N ATOM 997 CA ILE A 64 4.798 8.710 8.160 1.00 0.00 C ATOM 998 C ILE A 64 5.765 7.681 7.571 1.00 0.00 C ATOM 999 O ILE A 64 6.371 6.929 8.348 1.00 0.00 O ATOM 1000 CB ILE A 64 3.357 8.205 8.271 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.571 9.014 9.305 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.322 6.706 8.568 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.005 8.653 10.727 1.00 0.00 C ATOM 0 H ILE A 64 3.970 10.175 6.922 1.00 0.00 H new ATOM 0 HA ILE A 64 5.123 8.905 9.182 1.00 0.00 H new ATOM 0 HB ILE A 64 2.868 8.352 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.726 10.079 9.133 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.504 8.824 9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.286 6.374 8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.821 6.164 7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.834 6.510 9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.431 9.242 11.443 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.826 7.592 10.904 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.067 8.867 10.849 1.00 0.00 H new ATOM 1015 N VAL A 65 5.890 7.670 6.232 1.00 0.00 N ATOM 1016 CA VAL A 65 6.775 6.743 5.549 1.00 0.00 C ATOM 1017 C VAL A 65 8.226 7.193 5.742 1.00 0.00 C ATOM 1018 O VAL A 65 9.071 6.341 6.046 1.00 0.00 O ATOM 1019 CB VAL A 65 6.377 6.628 4.075 1.00 0.00 C ATOM 1020 CG1 VAL A 65 7.474 5.937 3.264 1.00 0.00 C ATOM 1021 CG2 VAL A 65 5.041 5.897 3.925 1.00 0.00 C ATOM 0 H VAL A 65 5.382 8.299 5.610 1.00 0.00 H new ATOM 0 HA VAL A 65 6.684 5.744 5.976 1.00 0.00 H new ATOM 0 HB VAL A 65 6.254 7.637 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.166 5.868 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.396 6.514 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.643 4.935 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.780 5.828 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.126 4.894 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.264 6.447 4.455 1.00 0.00 H new ATOM 1031 N GLU A 66 8.479 8.502 5.565 1.00 0.00 N ATOM 1032 CA GLU A 66 9.813 9.056 5.719 1.00 0.00 C ATOM 1033 C GLU A 66 10.284 8.848 7.159 1.00 0.00 C ATOM 1034 O GLU A 66 11.497 8.708 7.369 1.00 0.00 O ATOM 1035 CB GLU A 66 9.853 10.538 5.338 1.00 0.00 C ATOM 1036 CG GLU A 66 10.504 10.734 3.966 1.00 0.00 C ATOM 1037 CD GLU A 66 10.751 12.216 3.685 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.695 12.957 3.691 1.00 0.00 O ATOM 1039 OE2 GLU A 66 11.903 12.623 3.471 1.00 0.00 O ATOM 0 H GLU A 66 7.767 9.188 5.315 1.00 0.00 H new ATOM 0 HA GLU A 66 10.488 8.535 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.840 10.941 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.409 11.096 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.448 10.190 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.862 10.315 3.191 1.00 0.00 H new ATOM 1046 N LYS A 67 9.330 8.830 8.108 1.00 0.00 N ATOM 1047 CA LYS A 67 9.646 8.641 9.514 1.00 0.00 C ATOM 1048 C LYS A 67 10.073 7.190 9.745 1.00 0.00 C ATOM 1049 O LYS A 67 11.006 6.968 10.531 1.00 0.00 O ATOM 1050 CB LYS A 67 8.473 9.084 10.391 1.00 0.00 C ATOM 1051 CG LYS A 67 8.501 10.597 10.619 1.00 0.00 C ATOM 1052 CD LYS A 67 7.823 10.964 11.941 1.00 0.00 C ATOM 1053 CE LYS A 67 7.151 12.336 11.850 1.00 0.00 C ATOM 1054 NZ LYS A 67 8.162 13.396 11.699 1.00 0.00 N ATOM 0 H LYS A 67 8.335 8.945 7.914 1.00 0.00 H new ATOM 0 HA LYS A 67 10.487 9.271 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.533 8.801 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.515 8.567 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.533 10.949 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.997 11.102 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.081 10.208 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.561 10.969 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.465 12.356 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.557 12.517 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.697 14.326 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.850 13.332 12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.654 13.279 10.790 1.00 0.00 H new ATOM 1068 N ILE A 68 9.393 6.248 9.068 1.00 0.00 N ATOM 1069 CA ILE A 68 9.699 4.834 9.199 1.00 0.00 C ATOM 1070 C ILE A 68 10.977 4.519 8.418 1.00 0.00 C ATOM 1071 O ILE A 68 11.709 3.606 8.828 1.00 0.00 O ATOM 1072 CB ILE A 68 8.499 3.984 8.782 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.598 3.679 9.981 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.950 2.709 8.067 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.125 3.896 9.630 1.00 0.00 C ATOM 0 H ILE A 68 8.628 6.453 8.426 1.00 0.00 H new ATOM 0 HA ILE A 68 9.891 4.581 10.242 1.00 0.00 H new ATOM 0 HB ILE A 68 7.906 4.559 8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.751 2.649 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.874 4.319 10.819 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.076 2.123 7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.517 2.974 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.579 2.120 8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.507 3.672 10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.971 4.933 9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.846 3.237 8.807 1.00 0.00 H new ATOM 1087 N LEU A 69 11.215 5.267 7.327 1.00 0.00 N ATOM 1088 CA LEU A 69 12.393 5.069 6.499 1.00 0.00 C ATOM 1089 C LEU A 69 13.616 5.643 7.215 1.00 0.00 C ATOM 1090 O LEU A 69 14.714 5.095 7.039 1.00 0.00 O ATOM 1091 CB LEU A 69 12.169 5.649 5.101 1.00 0.00 C ATOM 1092 CG LEU A 69 11.403 4.758 4.119 1.00 0.00 C ATOM 1093 CD1 LEU A 69 11.022 5.535 2.858 1.00 0.00 C ATOM 1094 CD2 LEU A 69 12.196 3.491 3.796 1.00 0.00 C ATOM 0 H LEU A 69 10.599 6.014 7.006 1.00 0.00 H new ATOM 0 HA LEU A 69 12.580 4.006 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.630 6.591 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.141 5.883 4.666 1.00 0.00 H new ATOM 0 HG LEU A 69 10.474 4.443 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.479 4.880 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.390 6.381 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.925 5.899 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.630 2.876 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.151 3.764 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.373 2.929 4.713 1.00 0.00 H new ATOM 1106 N LYS A 70 13.408 6.720 7.994 1.00 0.00 N ATOM 1107 CA LYS A 70 14.486 7.360 8.727 1.00 0.00 C ATOM 1108 C LYS A 70 15.021 6.395 9.787 1.00 0.00 C ATOM 1109 O LYS A 70 16.204 6.503 10.139 1.00 0.00 O ATOM 1110 CB LYS A 70 14.024 8.703 9.296 1.00 0.00 C ATOM 1111 CG LYS A 70 15.215 9.628 9.554 1.00 0.00 C ATOM 1112 CD LYS A 70 15.333 10.689 8.458 1.00 0.00 C ATOM 1113 CE LYS A 70 15.526 10.040 7.085 1.00 0.00 C ATOM 1114 NZ LYS A 70 16.898 9.527 6.947 1.00 0.00 N ATOM 0 H LYS A 70 12.496 7.157 8.124 1.00 0.00 H new ATOM 0 HA LYS A 70 15.315 7.591 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.334 9.179 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.478 8.540 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.100 10.113 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.133 9.042 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.436 11.309 8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.174 11.348 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.812 9.226 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.323 10.768 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.342 9.945 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.450 9.781 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.873 8.492 6.848 1.00 0.00 H new ATOM 1128 N GLU A 71 14.153 5.485 10.265 1.00 0.00 N ATOM 1129 CA GLU A 71 14.536 4.511 11.274 1.00 0.00 C ATOM 1130 C GLU A 71 15.292 3.361 10.606 1.00 0.00 C ATOM 1131 O GLU A 71 16.000 2.630 11.313 1.00 0.00 O ATOM 1132 CB GLU A 71 13.321 3.994 12.045 1.00 0.00 C ATOM 1133 CG GLU A 71 12.115 4.915 11.851 1.00 0.00 C ATOM 1134 CD GLU A 71 10.965 4.516 12.778 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.782 3.323 13.059 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.248 5.497 13.210 1.00 0.00 O ATOM 0 H GLU A 71 13.182 5.413 9.961 1.00 0.00 H new ATOM 0 HA GLU A 71 15.189 4.997 11.999 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.073 2.988 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.562 3.923 13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.405 5.947 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.783 4.871 10.814 1.00 0.00 H new ATOM 1199 N SER B 3 3.375 -9.266 -17.766 1.00 0.00 N ATOM 1200 CA SER B 3 4.410 -8.634 -16.967 1.00 0.00 C ATOM 1201 C SER B 3 3.763 -7.679 -15.964 1.00 0.00 C ATOM 1202 O SER B 3 4.263 -7.583 -14.833 1.00 0.00 O ATOM 1203 CB SER B 3 5.414 -7.884 -17.845 1.00 0.00 C ATOM 1204 OG SER B 3 6.469 -7.309 -17.077 1.00 0.00 O ATOM 0 HA SER B 3 4.958 -9.410 -16.433 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.834 -8.569 -18.582 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.898 -7.099 -18.397 1.00 0.00 H new ATOM 0 HG SER B 3 7.090 -6.840 -17.673 1.00 0.00 H new ATOM 1210 N ASN B 4 2.682 -7.001 -16.389 1.00 0.00 N ATOM 1211 CA ASN B 4 1.975 -6.063 -15.533 1.00 0.00 C ATOM 1212 C ASN B 4 1.646 -6.741 -14.202 1.00 0.00 C ATOM 1213 O ASN B 4 1.655 -6.052 -13.172 1.00 0.00 O ATOM 1214 CB ASN B 4 0.660 -5.615 -16.175 1.00 0.00 C ATOM 1215 CG ASN B 4 0.891 -4.461 -17.153 1.00 0.00 C ATOM 1216 OD1 ASN B 4 1.912 -4.370 -17.815 1.00 0.00 O ATOM 1217 ND2 ASN B 4 -0.110 -3.589 -17.207 1.00 0.00 N ATOM 0 H ASN B 4 2.287 -7.094 -17.325 1.00 0.00 H new ATOM 0 HA ASN B 4 2.616 -5.195 -15.382 1.00 0.00 H new ATOM 0 HB2 ASN B 4 0.203 -6.454 -16.699 1.00 0.00 H new ATOM 0 HB3 ASN B 4 -0.040 -5.304 -15.399 1.00 0.00 H new ATOM 0 HD21 ASN B 4 -0.052 -2.784 -17.830 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.937 -3.725 -16.625 1.00 0.00 H new ATOM 1224 N THR B 5 1.366 -8.055 -14.250 1.00 0.00 N ATOM 1225 CA THR B 5 1.037 -8.816 -13.056 1.00 0.00 C ATOM 1226 C THR B 5 2.262 -8.878 -12.142 1.00 0.00 C ATOM 1227 O THR B 5 2.091 -8.770 -10.919 1.00 0.00 O ATOM 1228 CB THR B 5 0.526 -10.195 -13.481 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.698 -9.918 -14.158 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.105 -11.056 -12.288 1.00 0.00 C ATOM 0 H THR B 5 1.364 -8.603 -15.110 1.00 0.00 H new ATOM 0 HA THR B 5 0.243 -8.338 -12.482 1.00 0.00 H new ATOM 0 HB THR B 5 1.302 -10.712 -14.046 1.00 0.00 H new ATOM 0 HG1 THR B 5 -1.097 -10.757 -14.469 1.00 0.00 H new ATOM 0 HG21 THR B 5 -0.249 -12.023 -12.644 1.00 0.00 H new ATOM 0 HG22 THR B 5 0.959 -11.204 -11.627 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.695 -10.555 -11.742 1.00 0.00 H new ATOM 1238 N VAL B 6 3.454 -9.048 -12.743 1.00 0.00 N ATOM 1239 CA VAL B 6 4.693 -9.121 -11.988 1.00 0.00 C ATOM 1240 C VAL B 6 4.953 -7.775 -11.309 1.00 0.00 C ATOM 1241 O VAL B 6 5.310 -7.774 -10.122 1.00 0.00 O ATOM 1242 CB VAL B 6 5.838 -9.561 -12.904 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.150 -9.673 -12.125 1.00 0.00 C ATOM 1244 CG2 VAL B 6 5.503 -10.877 -13.609 1.00 0.00 C ATOM 0 H VAL B 6 3.573 -9.136 -13.752 1.00 0.00 H new ATOM 0 HA VAL B 6 4.617 -9.871 -11.201 1.00 0.00 H new ATOM 0 HB VAL B 6 5.967 -8.796 -13.670 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.947 -9.987 -12.799 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.400 -8.704 -11.693 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.038 -10.408 -11.328 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.333 -11.166 -14.253 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.333 -11.655 -12.865 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.604 -10.748 -14.212 1.00 0.00 H new ATOM 1254 N SER B 7 4.771 -6.676 -12.061 1.00 0.00 N ATOM 1255 CA SER B 7 4.985 -5.338 -11.535 1.00 0.00 C ATOM 1256 C SER B 7 3.994 -5.079 -10.398 1.00 0.00 C ATOM 1257 O SER B 7 4.433 -4.652 -9.320 1.00 0.00 O ATOM 1258 CB SER B 7 4.831 -4.277 -12.627 1.00 0.00 C ATOM 1259 OG SER B 7 3.667 -4.491 -13.419 1.00 0.00 O ATOM 0 H SER B 7 4.475 -6.700 -13.037 1.00 0.00 H new ATOM 0 HA SER B 7 6.005 -5.272 -11.156 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.781 -3.289 -12.168 1.00 0.00 H new ATOM 0 HB3 SER B 7 5.712 -4.286 -13.268 1.00 0.00 H new ATOM 0 HG SER B 7 3.159 -5.246 -13.056 1.00 0.00 H new ATOM 1265 N SER B 8 2.699 -5.335 -10.657 1.00 0.00 N ATOM 1266 CA SER B 8 1.660 -5.131 -9.662 1.00 0.00 C ATOM 1267 C SER B 8 2.021 -5.898 -8.388 1.00 0.00 C ATOM 1268 O SER B 8 1.729 -5.395 -7.294 1.00 0.00 O ATOM 1269 CB SER B 8 0.292 -5.577 -10.181 1.00 0.00 C ATOM 1270 OG SER B 8 -0.020 -4.985 -11.439 1.00 0.00 O ATOM 0 H SER B 8 2.358 -5.684 -11.553 1.00 0.00 H new ATOM 0 HA SER B 8 1.595 -4.065 -9.443 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.277 -6.663 -10.277 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.476 -5.311 -9.455 1.00 0.00 H new ATOM 0 HG SER B 8 0.474 -5.446 -12.149 1.00 0.00 H new ATOM 1276 N PHE B 9 2.638 -7.082 -8.553 1.00 0.00 N ATOM 1277 CA PHE B 9 3.033 -7.908 -7.425 1.00 0.00 C ATOM 1278 C PHE B 9 4.140 -7.198 -6.642 1.00 0.00 C ATOM 1279 O PHE B 9 4.015 -7.087 -5.414 1.00 0.00 O ATOM 1280 CB PHE B 9 3.520 -9.276 -7.942 1.00 0.00 C ATOM 1281 CG PHE B 9 3.622 -10.358 -6.876 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.592 -10.520 -5.921 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.754 -11.206 -6.833 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.692 -11.522 -4.932 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.853 -12.207 -5.844 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.822 -12.365 -4.894 1.00 0.00 C ATOM 0 H PHE B 9 2.869 -7.479 -9.464 1.00 0.00 H new ATOM 0 HA PHE B 9 2.184 -8.068 -6.761 1.00 0.00 H new ATOM 0 HB2 PHE B 9 2.840 -9.617 -8.723 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.498 -9.147 -8.405 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.726 -9.875 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.544 -11.087 -7.559 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.903 -11.643 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.718 -12.853 -5.814 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.898 -13.132 -4.137 1.00 0.00 H new ATOM 1296 N GLN B 10 5.185 -6.741 -7.356 1.00 0.00 N ATOM 1297 CA GLN B 10 6.300 -6.050 -6.732 1.00 0.00 C ATOM 1298 C GLN B 10 5.768 -4.887 -5.890 1.00 0.00 C ATOM 1299 O GLN B 10 6.291 -4.670 -4.788 1.00 0.00 O ATOM 1300 CB GLN B 10 7.309 -5.557 -7.772 1.00 0.00 C ATOM 1301 CG GLN B 10 8.538 -6.468 -7.818 1.00 0.00 C ATOM 1302 CD GLN B 10 8.979 -6.720 -9.261 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.199 -5.807 -10.038 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.095 -8.007 -9.574 1.00 0.00 N ATOM 0 H GLN B 10 5.269 -6.844 -8.367 1.00 0.00 H new ATOM 0 HA GLN B 10 6.827 -6.751 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN B 10 6.838 -5.526 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.615 -4.539 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.355 -6.012 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.310 -7.417 -7.332 1.00 0.00 H new ATOM 0 HE21 GLN B 10 8.895 -8.722 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.384 -8.279 -10.514 1.00 0.00 H new ATOM 1313 N VAL B 11 4.755 -4.177 -6.417 1.00 0.00 N ATOM 1314 CA VAL B 11 4.161 -3.049 -5.720 1.00 0.00 C ATOM 1315 C VAL B 11 3.499 -3.544 -4.433 1.00 0.00 C ATOM 1316 O VAL B 11 3.812 -3.002 -3.362 1.00 0.00 O ATOM 1317 CB VAL B 11 3.193 -2.312 -6.646 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.196 -1.475 -5.842 1.00 0.00 C ATOM 1319 CG2 VAL B 11 3.950 -1.445 -7.654 1.00 0.00 C ATOM 0 H VAL B 11 4.338 -4.374 -7.327 1.00 0.00 H new ATOM 0 HA VAL B 11 4.927 -2.328 -5.435 1.00 0.00 H new ATOM 0 HB VAL B 11 2.630 -3.059 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.519 -0.961 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.622 -2.127 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.736 -0.740 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.238 -0.932 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.552 -0.709 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.601 -2.076 -8.260 1.00 0.00 H new ATOM 1329 N ASP B 12 2.611 -4.546 -4.559 1.00 0.00 N ATOM 1330 CA ASP B 12 1.913 -5.106 -3.414 1.00 0.00 C ATOM 1331 C ASP B 12 2.936 -5.565 -2.373 1.00 0.00 C ATOM 1332 O ASP B 12 2.648 -5.451 -1.173 1.00 0.00 O ATOM 1333 CB ASP B 12 1.073 -6.318 -3.820 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.370 -6.001 -4.218 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.810 -4.845 -4.154 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -1.061 -7.017 -4.612 1.00 0.00 O ATOM 0 H ASP B 12 2.367 -4.978 -5.450 1.00 0.00 H new ATOM 0 HA ASP B 12 1.259 -4.335 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.563 -6.817 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.058 -7.025 -2.991 1.00 0.00 H new ATOM 1341 N CYS B 13 4.091 -6.069 -2.846 1.00 0.00 N ATOM 1342 CA CYS B 13 5.143 -6.540 -1.962 1.00 0.00 C ATOM 1343 C CYS B 13 5.666 -5.369 -1.128 1.00 0.00 C ATOM 1344 O CYS B 13 5.607 -5.451 0.107 1.00 0.00 O ATOM 1345 CB CYS B 13 6.262 -7.222 -2.751 1.00 0.00 C ATOM 1346 SG CYS B 13 5.911 -8.935 -3.246 1.00 0.00 S ATOM 0 H CYS B 13 4.308 -6.155 -3.839 1.00 0.00 H new ATOM 0 HA CYS B 13 4.735 -7.292 -1.286 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.466 -6.635 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.170 -7.212 -2.149 1.00 0.00 H new ATOM 0 HG CYS B 13 5.072 -8.937 -4.239 1.00 0.00 H new ATOM 1352 N PHE B 14 6.158 -4.318 -1.807 1.00 0.00 N ATOM 1353 CA PHE B 14 6.684 -3.143 -1.133 1.00 0.00 C ATOM 1354 C PHE B 14 5.622 -2.587 -0.183 1.00 0.00 C ATOM 1355 O PHE B 14 5.974 -2.231 0.951 1.00 0.00 O ATOM 1356 CB PHE B 14 7.083 -2.090 -2.185 1.00 0.00 C ATOM 1357 CG PHE B 14 7.671 -0.808 -1.610 1.00 0.00 C ATOM 1358 CD1 PHE B 14 9.006 -0.789 -1.143 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.891 0.370 -1.544 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.556 0.398 -0.614 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.441 1.557 -1.014 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.773 1.571 -0.549 1.00 0.00 C ATOM 0 H PHE B 14 6.197 -4.269 -2.825 1.00 0.00 H new ATOM 0 HA PHE B 14 7.567 -3.407 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.809 -2.533 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.204 -1.837 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.606 -1.686 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.871 0.361 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.576 0.409 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.842 2.454 -0.964 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.194 2.479 -0.143 1.00 0.00 H new ATOM 1372 N LEU B 15 4.365 -2.523 -0.656 1.00 0.00 N ATOM 1373 CA LEU B 15 3.264 -2.016 0.146 1.00 0.00 C ATOM 1374 C LEU B 15 3.153 -2.840 1.430 1.00 0.00 C ATOM 1375 O LEU B 15 3.150 -2.243 2.517 1.00 0.00 O ATOM 1376 CB LEU B 15 1.975 -1.979 -0.676 1.00 0.00 C ATOM 1377 CG LEU B 15 1.921 -0.936 -1.793 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.478 -0.521 -2.086 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.807 0.267 -1.463 1.00 0.00 C ATOM 0 H LEU B 15 4.097 -2.820 -1.594 1.00 0.00 H new ATOM 0 HA LEU B 15 3.453 -0.985 0.445 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.821 -2.964 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.140 -1.800 0.002 1.00 0.00 H new ATOM 0 HG LEU B 15 2.317 -1.388 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.468 0.221 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.096 -1.394 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.033 -0.094 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.751 0.994 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.464 0.729 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.839 -0.063 -1.343 1.00 0.00 H new ATOM 1391 N TRP B 16 3.064 -4.174 1.284 1.00 0.00 N ATOM 1392 CA TRP B 16 2.952 -5.068 2.424 1.00 0.00 C ATOM 1393 C TRP B 16 4.048 -4.733 3.438 1.00 0.00 C ATOM 1394 O TRP B 16 3.759 -4.746 4.644 1.00 0.00 O ATOM 1395 CB TRP B 16 2.993 -6.525 1.961 1.00 0.00 C ATOM 1396 CG TRP B 16 2.792 -7.542 3.086 1.00 0.00 C ATOM 1397 CD1 TRP B 16 1.667 -8.187 3.425 1.00 0.00 C ATOM 1398 CD2 TRP B 16 3.795 -8.008 4.013 1.00 0.00 C ATOM 1399 NE1 TRP B 16 1.871 -9.030 4.498 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.207 -8.919 4.866 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.157 -7.672 4.125 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 3.903 -9.567 5.894 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 5.838 -8.328 5.157 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.259 -9.247 6.026 1.00 0.00 C ATOM 0 H TRP B 16 3.069 -4.647 0.380 1.00 0.00 H new ATOM 0 HA TRP B 16 1.992 -4.929 2.921 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.222 -6.677 1.206 1.00 0.00 H new ATOM 0 HB3 TRP B 16 3.952 -6.716 1.480 1.00 0.00 H new ATOM 0 HD1 TRP B 16 0.720 -8.062 2.921 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.170 -9.625 4.940 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.639 -6.964 3.467 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.419 -10.276 6.550 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 6.887 -8.105 5.288 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.853 -9.711 6.799 1.00 0.00 H new ATOM 1415 N HIS B 17 5.262 -4.443 2.939 1.00 0.00 N ATOM 1416 CA HIS B 17 6.388 -4.109 3.796 1.00 0.00 C ATOM 1417 C HIS B 17 6.049 -2.857 4.608 1.00 0.00 C ATOM 1418 O HIS B 17 6.020 -2.947 5.844 1.00 0.00 O ATOM 1419 CB HIS B 17 7.672 -3.956 2.978 1.00 0.00 C ATOM 1420 CG HIS B 17 8.920 -3.823 3.817 1.00 0.00 C ATOM 1421 ND1 HIS B 17 10.070 -3.203 3.356 1.00 0.00 N ATOM 1422 CD2 HIS B 17 9.188 -4.233 5.090 1.00 0.00 C ATOM 1423 CE1 HIS B 17 10.981 -3.246 4.317 1.00 0.00 C ATOM 1424 NE2 HIS B 17 10.433 -3.884 5.390 1.00 0.00 N ATOM 0 H HIS B 17 5.478 -4.436 1.942 1.00 0.00 H new ATOM 0 HA HIS B 17 6.573 -4.923 4.497 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.778 -4.820 2.321 1.00 0.00 H new ATOM 0 HB3 HIS B 17 7.581 -3.078 2.338 1.00 0.00 H new ATOM 0 HD2 HIS B 17 8.503 -4.753 5.743 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.982 -2.846 4.260 1.00 0.00 H new ATOM 0 HE2 HIS B 17 10.903 -4.064 6.277 1.00 0.00 H new ATOM 1432 N VAL B 18 5.805 -1.734 3.910 1.00 0.00 N ATOM 1433 CA VAL B 18 5.474 -0.478 4.562 1.00 0.00 C ATOM 1434 C VAL B 18 4.359 -0.718 5.583 1.00 0.00 C ATOM 1435 O VAL B 18 4.434 -0.151 6.682 1.00 0.00 O ATOM 1436 CB VAL B 18 5.108 0.575 3.514 1.00 0.00 C ATOM 1437 CG1 VAL B 18 4.631 1.867 4.180 1.00 0.00 C ATOM 1438 CG2 VAL B 18 6.285 0.844 2.574 1.00 0.00 C ATOM 0 H VAL B 18 5.834 -1.682 2.892 1.00 0.00 H new ATOM 0 HA VAL B 18 6.336 -0.090 5.105 1.00 0.00 H new ATOM 0 HB VAL B 18 4.285 0.183 2.916 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.377 2.599 3.413 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.751 1.659 4.789 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.424 2.265 4.813 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.999 1.596 1.839 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.136 1.206 3.151 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.560 -0.078 2.062 1.00 0.00 H new ATOM 1448 N ARG B 19 3.364 -1.540 5.205 1.00 0.00 N ATOM 1449 CA ARG B 19 2.247 -1.850 6.081 1.00 0.00 C ATOM 1450 C ARG B 19 2.775 -2.487 7.368 1.00 0.00 C ATOM 1451 O ARG B 19 2.458 -1.977 8.452 1.00 0.00 O ATOM 1452 CB ARG B 19 1.257 -2.808 5.416 1.00 0.00 C ATOM 1453 CG ARG B 19 0.482 -2.106 4.298 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.513 -3.063 3.637 1.00 0.00 C ATOM 1455 NE ARG B 19 -0.259 -3.128 2.180 1.00 0.00 N ATOM 1456 CZ ARG B 19 -1.219 -3.338 1.254 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.486 -3.499 1.657 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -0.907 -3.384 -0.049 1.00 0.00 N ATOM 0 H ARG B 19 3.321 -1.997 4.294 1.00 0.00 H new ATOM 0 HA ARG B 19 1.723 -0.920 6.301 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.793 -3.666 5.009 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.560 -3.192 6.161 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.050 -1.246 4.704 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.179 -1.726 3.551 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.421 -4.057 4.075 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.533 -2.726 3.822 1.00 0.00 H new ATOM 0 HE ARG B 19 0.700 -3.007 1.856 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.714 -3.462 2.651 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -3.223 -3.658 0.970 1.00 0.00 H new ATOM 0 HH21 ARG B 19 0.061 -3.260 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.637 -3.543 -0.743 1.00 0.00 H new ATOM 1472 N LYS B 20 3.558 -3.572 7.226 1.00 0.00 N ATOM 1473 CA LYS B 20 4.123 -4.270 8.369 1.00 0.00 C ATOM 1474 C LYS B 20 4.840 -3.263 9.271 1.00 0.00 C ATOM 1475 O LYS B 20 4.854 -3.472 10.494 1.00 0.00 O ATOM 1476 CB LYS B 20 5.013 -5.424 7.905 1.00 0.00 C ATOM 1477 CG LYS B 20 5.610 -6.169 9.101 1.00 0.00 C ATOM 1478 CD LYS B 20 4.648 -7.240 9.617 1.00 0.00 C ATOM 1479 CE LYS B 20 4.801 -7.434 11.127 1.00 0.00 C ATOM 1480 NZ LYS B 20 5.753 -8.519 11.413 1.00 0.00 N ATOM 0 H LYS B 20 3.808 -3.976 6.323 1.00 0.00 H new ATOM 0 HA LYS B 20 3.334 -4.728 8.966 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.431 -6.115 7.295 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.814 -5.039 7.274 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.553 -6.632 8.811 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.834 -5.462 9.899 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.622 -6.954 9.386 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.839 -8.183 9.105 1.00 0.00 H new ATOM 0 HE2 LYS B 20 5.148 -6.508 11.585 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.832 -7.666 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.845 -8.638 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.407 -9.405 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.681 -8.283 11.007 1.00 0.00 H new ATOM 1494 N GLN B 21 5.413 -2.210 8.662 1.00 0.00 N ATOM 1495 CA GLN B 21 6.124 -1.184 9.406 1.00 0.00 C ATOM 1496 C GLN B 21 5.118 -0.335 10.186 1.00 0.00 C ATOM 1497 O GLN B 21 5.438 0.072 11.312 1.00 0.00 O ATOM 1498 CB GLN B 21 6.978 -0.312 8.483 1.00 0.00 C ATOM 1499 CG GLN B 21 8.420 -0.822 8.426 1.00 0.00 C ATOM 1500 CD GLN B 21 8.957 -0.787 6.995 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.013 -0.241 6.714 1.00 0.00 O ATOM 1502 NE2 GLN B 21 8.176 -1.396 6.109 1.00 0.00 N ATOM 0 H GLN B 21 5.391 -2.057 7.654 1.00 0.00 H new ATOM 0 HA GLN B 21 6.805 -1.668 10.106 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.550 -0.309 7.481 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.967 0.719 8.837 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.052 -0.210 9.070 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.465 -1.841 8.810 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.305 -1.833 6.412 1.00 0.00 H new ATOM 0 HE22 GLN B 21 8.447 -1.427 5.126 1.00 0.00 H new ATOM 1511 N VAL B 22 3.941 -0.091 9.583 1.00 0.00 N ATOM 1512 CA VAL B 22 2.901 0.701 10.217 1.00 0.00 C ATOM 1513 C VAL B 22 2.370 -0.047 11.441 1.00 0.00 C ATOM 1514 O VAL B 22 2.078 0.607 12.452 1.00 0.00 O ATOM 1515 CB VAL B 22 1.807 1.037 9.202 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.580 1.633 9.895 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.335 1.978 8.118 1.00 0.00 C ATOM 0 H VAL B 22 3.697 -0.437 8.655 1.00 0.00 H new ATOM 0 HA VAL B 22 3.305 1.651 10.567 1.00 0.00 H new ATOM 0 HB VAL B 22 1.501 0.108 8.720 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.182 1.863 9.151 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.182 0.915 10.612 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.865 2.547 10.417 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.537 2.201 7.409 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.682 2.904 8.577 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.163 1.501 7.594 1.00 0.00 H new ATOM 1527 N VAL B 23 2.257 -1.383 11.328 1.00 0.00 N ATOM 1528 CA VAL B 23 1.767 -2.210 12.417 1.00 0.00 C ATOM 1529 C VAL B 23 2.827 -2.277 13.518 1.00 0.00 C ATOM 1530 O VAL B 23 2.456 -2.205 14.700 1.00 0.00 O ATOM 1531 CB VAL B 23 1.366 -3.588 11.890 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.992 -4.528 13.038 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.225 -3.477 10.877 1.00 0.00 C ATOM 0 H VAL B 23 2.502 -1.903 10.486 1.00 0.00 H new ATOM 0 HA VAL B 23 0.870 -1.771 12.855 1.00 0.00 H new ATOM 0 HB VAL B 23 2.228 -4.014 11.377 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.711 -5.501 12.635 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.846 -4.645 13.706 1.00 0.00 H new ATOM 0 HG13 VAL B 23 0.152 -4.109 13.593 1.00 0.00 H new ATOM 0 HG21 VAL B 23 -0.041 -4.471 10.518 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.642 -3.020 11.354 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.544 -2.861 10.036 1.00 0.00 H new ATOM 1543 N ASP B 24 4.104 -2.411 13.118 1.00 0.00 N ATOM 1544 CA ASP B 24 5.205 -2.487 14.064 1.00 0.00 C ATOM 1545 C ASP B 24 5.301 -1.168 14.833 1.00 0.00 C ATOM 1546 O ASP B 24 5.942 -1.149 15.895 1.00 0.00 O ATOM 1547 CB ASP B 24 6.535 -2.713 13.343 1.00 0.00 C ATOM 1548 CG ASP B 24 6.884 -4.178 13.074 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.452 -4.793 14.055 1.00 0.00 O ATOM 1550 OD2 ASP B 24 6.624 -4.705 11.982 1.00 0.00 O ATOM 0 H ASP B 24 4.388 -2.468 12.140 1.00 0.00 H new ATOM 0 HA ASP B 24 5.015 -3.322 14.738 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.511 -2.181 12.392 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.333 -2.268 13.937 1.00 0.00 H new ATOM 1555 N GLN B 25 4.675 -0.108 14.292 1.00 0.00 N ATOM 1556 CA GLN B 25 4.690 1.201 14.923 1.00 0.00 C ATOM 1557 C GLN B 25 3.588 1.265 15.983 1.00 0.00 C ATOM 1558 O GLN B 25 3.436 2.322 16.611 1.00 0.00 O ATOM 1559 CB GLN B 25 4.529 2.323 13.896 1.00 0.00 C ATOM 1560 CG GLN B 25 5.841 2.577 13.150 1.00 0.00 C ATOM 1561 CD GLN B 25 6.206 4.062 13.174 1.00 0.00 C ATOM 1562 OE1 GLN B 25 5.356 4.937 13.184 1.00 0.00 O ATOM 1563 NE2 GLN B 25 7.515 4.298 13.184 1.00 0.00 N ATOM 0 H GLN B 25 4.154 -0.144 13.416 1.00 0.00 H new ATOM 0 HA GLN B 25 5.658 1.346 15.402 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.747 2.059 13.184 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.209 3.236 14.397 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.642 1.995 13.606 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.748 2.238 12.118 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.174 3.519 13.175 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.860 5.258 13.201 1.00 0.00 H new ATOM 1572 N GLU B 26 2.855 0.151 16.156 1.00 0.00 N ATOM 1573 CA GLU B 26 1.778 0.082 17.131 1.00 0.00 C ATOM 1574 C GLU B 26 0.694 1.095 16.758 1.00 0.00 C ATOM 1575 O GLU B 26 0.294 1.879 17.632 1.00 0.00 O ATOM 1576 CB GLU B 26 2.291 0.325 18.552 1.00 0.00 C ATOM 1577 CG GLU B 26 3.500 -0.561 18.857 1.00 0.00 C ATOM 1578 CD GLU B 26 3.512 -0.984 20.328 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.154 -0.068 21.162 1.00 0.00 O ATOM 1580 OE2 GLU B 26 3.849 -2.136 20.640 1.00 0.00 O ATOM 0 H GLU B 26 2.997 -0.710 15.627 1.00 0.00 H new ATOM 0 HA GLU B 26 1.354 -0.922 17.114 1.00 0.00 H new ATOM 0 HB2 GLU B 26 2.565 1.373 18.669 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.496 0.121 19.269 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.477 -1.446 18.221 1.00 0.00 H new ATOM 0 HG3 GLU B 26 4.418 -0.023 18.622 1.00 0.00 H new ATOM 1587 N LEU B 27 0.247 1.059 15.490 1.00 0.00 N ATOM 1588 CA LEU B 27 -0.782 1.967 15.010 1.00 0.00 C ATOM 1589 C LEU B 27 -1.829 1.175 14.224 1.00 0.00 C ATOM 1590 O LEU B 27 -2.499 1.771 13.368 1.00 0.00 O ATOM 1591 CB LEU B 27 -0.155 3.115 14.216 1.00 0.00 C ATOM 1592 CG LEU B 27 0.899 3.943 14.954 1.00 0.00 C ATOM 1593 CD1 LEU B 27 1.940 4.499 13.979 1.00 0.00 C ATOM 1594 CD2 LEU B 27 0.245 5.049 15.784 1.00 0.00 C ATOM 0 H LEU B 27 0.590 0.405 14.786 1.00 0.00 H new ATOM 0 HA LEU B 27 -1.299 2.435 15.848 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.301 2.702 13.316 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.952 3.784 13.891 1.00 0.00 H new ATOM 0 HG LEU B 27 1.424 3.287 15.648 1.00 0.00 H new ATOM 0 HD11 LEU B 27 2.678 5.084 14.529 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.438 3.674 13.469 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.447 5.136 13.244 1.00 0.00 H new ATOM 0 HD21 LEU B 27 1.016 5.622 16.298 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -0.321 5.710 15.128 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -0.427 4.604 16.518 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.947 -0.130 14.525 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.904 -0.992 13.851 1.00 0.00 C ATOM 1608 C GLY B 28 -4.249 -0.920 14.577 1.00 0.00 C ATOM 1609 O GLY B 28 -4.254 -0.985 15.815 1.00 0.00 O ATOM 0 H GLY B 28 -1.385 -0.601 15.234 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -3.021 -0.682 12.813 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.539 -2.019 13.838 1.00 0.00 H new ATOM 1613 N ASP B 29 -5.343 -0.788 13.806 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.679 -0.707 14.372 1.00 0.00 C ATOM 1615 C ASP B 29 -7.222 -2.121 14.590 1.00 0.00 C ATOM 1616 O ASP B 29 -7.471 -2.485 15.748 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.633 0.026 13.429 1.00 0.00 C ATOM 1618 CG ASP B 29 -7.129 0.186 11.993 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -6.440 -0.696 11.457 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -7.474 1.285 11.413 1.00 0.00 O ATOM 0 H ASP B 29 -5.316 -0.736 12.788 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.614 -0.162 15.314 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -8.582 -0.511 13.407 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.836 1.015 13.839 1.00 0.00 H new ATOM 1625 N ALA B 30 -7.392 -2.877 13.490 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.900 -4.236 13.561 1.00 0.00 C ATOM 1627 C ALA B 30 -8.125 -4.766 12.142 1.00 0.00 C ATOM 1628 O ALA B 30 -7.751 -5.917 11.878 1.00 0.00 O ATOM 1629 CB ALA B 30 -9.270 -4.239 14.242 1.00 0.00 C ATOM 0 H ALA B 30 -7.181 -2.558 12.545 1.00 0.00 H new ATOM 0 HA ALA B 30 -7.182 -4.845 14.111 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -9.648 -5.260 14.294 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -9.176 -3.835 15.250 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.963 -3.624 13.668 1.00 0.00 H new ATOM 1635 N PRO B 31 -8.722 -3.930 11.275 1.00 0.00 N ATOM 1636 CA PRO B 31 -9.008 -4.277 9.893 1.00 0.00 C ATOM 1637 C PRO B 31 -7.733 -4.254 9.047 1.00 0.00 C ATOM 1638 O PRO B 31 -7.573 -5.143 8.199 1.00 0.00 O ATOM 1639 CB PRO B 31 -10.041 -3.259 9.438 1.00 0.00 C ATOM 1640 CG PRO B 31 -9.952 -2.104 10.423 1.00 0.00 C ATOM 1641 CD PRO B 31 -9.150 -2.577 11.624 1.00 0.00 C ATOM 0 HA PRO B 31 -9.393 -5.291 9.785 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -9.836 -2.922 8.422 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -11.041 -3.693 9.434 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -9.472 -1.242 9.959 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -10.948 -1.787 10.730 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -8.295 -1.927 11.810 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -9.756 -2.575 12.530 1.00 0.00 H new ATOM 1649 N PHE B 32 -6.867 -3.255 9.292 1.00 0.00 N ATOM 1650 CA PHE B 32 -5.620 -3.120 8.557 1.00 0.00 C ATOM 1651 C PHE B 32 -4.734 -4.336 8.839 1.00 0.00 C ATOM 1652 O PHE B 32 -4.161 -4.883 7.884 1.00 0.00 O ATOM 1653 CB PHE B 32 -4.915 -1.819 8.987 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.446 -1.735 8.596 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -3.038 -2.038 7.276 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.478 -1.356 9.556 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -1.674 -1.963 6.920 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -1.115 -1.281 9.198 1.00 0.00 C ATOM 1659 CZ PHE B 32 -0.713 -1.584 7.880 1.00 0.00 C ATOM 0 H PHE B 32 -7.018 -2.533 9.997 1.00 0.00 H new ATOM 0 HA PHE B 32 -5.817 -3.073 7.486 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.443 -0.973 8.548 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -4.996 -1.718 10.069 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.772 -2.328 6.539 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -2.783 -1.123 10.566 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.366 -2.196 5.911 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -0.379 -0.991 9.934 1.00 0.00 H new ATOM 0 HZ PHE B 32 0.330 -1.526 7.606 1.00 0.00 H new ATOM 1669 N LEU B 33 -4.641 -4.730 10.121 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.832 -5.868 10.521 1.00 0.00 C ATOM 1671 C LEU B 33 -4.409 -7.141 9.896 1.00 0.00 C ATOM 1672 O LEU B 33 -3.638 -7.907 9.299 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.712 -5.932 12.045 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.687 -6.926 12.596 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.435 -6.966 11.716 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.351 -6.615 14.055 1.00 0.00 C ATOM 0 H LEU B 33 -5.123 -4.267 10.892 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.813 -5.761 10.149 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.458 -4.938 12.412 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.690 -6.183 12.456 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.130 -7.922 12.573 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.722 -7.680 12.129 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.710 -7.271 10.706 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.980 -5.976 11.685 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.621 -7.336 14.422 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -1.936 -5.610 14.126 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.257 -6.677 14.658 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.731 -7.339 10.044 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.400 -8.508 9.498 1.00 0.00 C ATOM 1690 C ASP B 34 -6.118 -8.597 7.997 1.00 0.00 C ATOM 1691 O ASP B 34 -5.821 -9.702 7.518 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.916 -8.413 9.689 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.706 -9.626 9.194 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -7.994 -10.664 8.916 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.940 -9.580 9.079 1.00 0.00 O ATOM 0 H ASP B 34 -6.349 -6.696 10.540 1.00 0.00 H new ATOM 0 HA ASP B 34 -6.024 -9.387 10.021 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -8.125 -8.269 10.749 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.278 -7.526 9.170 1.00 0.00 H new ATOM 1700 N ARG B 35 -6.214 -7.453 7.296 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.971 -7.403 5.865 1.00 0.00 C ATOM 1702 C ARG B 35 -4.512 -7.771 5.588 1.00 0.00 C ATOM 1703 O ARG B 35 -4.260 -8.486 4.607 1.00 0.00 O ATOM 1704 CB ARG B 35 -6.258 -6.014 5.292 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.760 -5.724 5.280 1.00 0.00 C ATOM 1706 CD ARG B 35 -8.028 -4.219 5.329 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.872 -3.480 4.776 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.909 -2.763 3.633 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -8.054 -2.701 2.941 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.816 -2.120 3.198 1.00 0.00 N ATOM 0 H ARG B 35 -6.460 -6.554 7.710 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.643 -8.113 5.383 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.743 -5.259 5.886 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.863 -5.946 4.278 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -8.209 -6.148 4.382 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.235 -6.209 6.133 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.927 -3.983 4.760 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.211 -3.907 6.357 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.992 -3.514 5.291 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.882 -3.191 3.280 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -8.098 -2.163 2.075 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.948 -2.171 3.732 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.852 -1.580 2.333 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.595 -7.283 6.442 1.00 0.00 N ATOM 1725 CA LEU B 36 -2.176 -7.559 6.289 1.00 0.00 C ATOM 1726 C LEU B 36 -1.943 -9.069 6.373 1.00 0.00 C ATOM 1727 O LEU B 36 -1.156 -9.590 5.568 1.00 0.00 O ATOM 1728 CB LEU B 36 -1.361 -6.753 7.302 1.00 0.00 C ATOM 1729 CG LEU B 36 0.156 -6.952 7.253 1.00 0.00 C ATOM 1730 CD1 LEU B 36 0.722 -6.518 5.900 1.00 0.00 C ATOM 1731 CD2 LEU B 36 0.840 -6.233 8.418 1.00 0.00 C ATOM 0 H LEU B 36 -3.823 -6.695 7.244 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.829 -7.237 5.307 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.574 -5.695 7.150 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.709 -7.008 8.303 1.00 0.00 H new ATOM 0 HG LEU B 36 0.366 -8.016 7.363 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.801 -6.670 5.892 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.266 -7.111 5.108 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.503 -5.463 5.735 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.917 -6.390 8.360 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.625 -5.166 8.363 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.465 -6.631 9.361 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.618 -9.730 7.330 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.485 -11.165 7.515 1.00 0.00 C ATOM 1745 C ARG B 37 -2.965 -11.884 6.253 1.00 0.00 C ATOM 1746 O ARG B 37 -2.184 -12.663 5.685 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.298 -11.656 8.714 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.621 -11.272 10.031 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.658 -10.984 11.117 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.388 -12.225 11.463 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.629 -12.251 11.992 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.259 -11.092 12.228 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.223 -13.419 12.276 1.00 0.00 N ATOM 0 H ARG B 37 -3.260 -9.281 7.983 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.434 -11.385 7.704 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -4.300 -11.228 8.678 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.412 -12.739 8.662 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -1.964 -12.079 10.355 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.995 -10.393 9.879 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -3.167 -10.582 12.003 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.359 -10.225 10.770 1.00 0.00 H new ATOM 0 HE ARG B 37 -3.923 -13.116 11.291 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.800 -10.208 12.008 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.197 -11.094 12.628 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.737 -14.297 12.092 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.161 -13.430 12.676 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.218 -11.615 5.845 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.792 -12.232 4.662 1.00 0.00 C ATOM 1769 C ARG B 38 -3.922 -11.905 3.447 1.00 0.00 C ATOM 1770 O ARG B 38 -3.866 -12.728 2.522 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.219 -11.741 4.406 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.085 -11.899 5.658 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.483 -12.405 5.296 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.664 -13.790 5.787 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.864 -14.346 6.059 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -10.973 -13.616 5.881 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -9.944 -15.608 6.500 1.00 0.00 N ATOM 0 H ARG B 38 -4.845 -10.971 6.327 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.828 -13.309 4.827 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.199 -10.694 4.103 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.659 -12.303 3.582 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.609 -12.596 6.348 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.163 -10.942 6.174 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.239 -11.754 5.734 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.622 -12.373 4.215 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.830 -14.360 5.929 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.903 -12.656 5.545 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.888 -14.021 6.082 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.094 -16.157 6.633 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -10.854 -16.020 6.703 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.270 -10.728 3.474 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.412 -10.299 2.382 1.00 0.00 C ATOM 1793 C ASP B 39 -1.142 -11.150 2.373 1.00 0.00 C ATOM 1794 O ASP B 39 -0.646 -11.457 1.279 1.00 0.00 O ATOM 1795 CB ASP B 39 -2.000 -8.835 2.550 1.00 0.00 C ATOM 1796 CG ASP B 39 -2.962 -7.816 1.936 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -4.175 -8.061 1.842 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -2.415 -6.718 1.540 1.00 0.00 O ATOM 0 H ASP B 39 -3.329 -10.064 4.246 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.967 -10.413 1.451 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -1.900 -8.622 3.614 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.015 -8.697 2.103 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.649 -11.510 3.571 1.00 0.00 N ATOM 1804 CA GLN B 40 0.552 -12.318 3.699 1.00 0.00 C ATOM 1805 C GLN B 40 0.301 -13.697 3.086 1.00 0.00 C ATOM 1806 O GLN B 40 1.142 -14.153 2.297 1.00 0.00 O ATOM 1807 CB GLN B 40 0.994 -12.440 5.159 1.00 0.00 C ATOM 1808 CG GLN B 40 2.244 -13.313 5.282 1.00 0.00 C ATOM 1809 CD GLN B 40 3.515 -12.474 5.147 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.680 -11.930 3.943 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.297 -12.328 6.073 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.074 -11.247 4.461 1.00 0.00 H new ATOM 0 HA GLN B 40 1.363 -11.827 3.161 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.197 -11.449 5.565 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.187 -12.869 5.753 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.242 -13.824 6.245 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.230 -14.085 4.512 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.112 -12.773 6.972 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.136 -11.761 5.948 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.832 -14.322 3.453 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.187 -15.635 2.942 1.00 0.00 C ATOM 1822 C LYS B 41 -1.245 -15.585 1.413 1.00 0.00 C ATOM 1823 O LYS B 41 -0.733 -16.515 0.772 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.481 -16.131 3.590 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.205 -16.751 4.960 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.783 -18.165 5.049 1.00 0.00 C ATOM 1827 CE LYS B 41 -1.955 -19.149 4.222 1.00 0.00 C ATOM 1828 NZ LYS B 41 -1.768 -20.411 4.957 1.00 0.00 N ATOM 0 H LYS B 41 -1.511 -13.928 4.104 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.424 -16.366 3.209 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -3.180 -15.301 3.696 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.957 -16.868 2.943 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -1.130 -16.782 5.139 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -2.641 -16.127 5.740 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.805 -18.488 6.090 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.814 -18.163 4.694 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -2.454 -19.345 3.273 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -0.985 -18.710 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -1.204 -21.068 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -1.273 -20.222 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -2.696 -20.836 5.158 1.00 0.00 H new ATOM 1842 N SER B 42 -1.857 -14.518 0.868 1.00 0.00 N ATOM 1843 CA SER B 42 -1.978 -14.351 -0.569 1.00 0.00 C ATOM 1844 C SER B 42 -0.593 -14.101 -1.169 1.00 0.00 C ATOM 1845 O SER B 42 -0.321 -14.619 -2.262 1.00 0.00 O ATOM 1846 CB SER B 42 -2.924 -13.201 -0.921 1.00 0.00 C ATOM 1847 OG SER B 42 -3.198 -13.144 -2.319 1.00 0.00 O ATOM 0 H SER B 42 -2.273 -13.763 1.414 1.00 0.00 H new ATOM 0 HA SER B 42 -2.401 -15.264 -0.989 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.859 -13.320 -0.373 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.483 -12.257 -0.599 1.00 0.00 H new ATOM 0 HG SER B 42 -3.806 -12.398 -2.503 1.00 0.00 H new ATOM 1853 N LEU B 43 0.242 -13.326 -0.454 1.00 0.00 N ATOM 1854 CA LEU B 43 1.585 -13.013 -0.912 1.00 0.00 C ATOM 1855 C LEU B 43 2.412 -14.298 -0.967 1.00 0.00 C ATOM 1856 O LEU B 43 3.228 -14.435 -1.890 1.00 0.00 O ATOM 1857 CB LEU B 43 2.206 -11.918 -0.042 1.00 0.00 C ATOM 1858 CG LEU B 43 2.316 -10.533 -0.684 1.00 0.00 C ATOM 1859 CD1 LEU B 43 1.020 -9.740 -0.501 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.533 -9.776 -0.149 1.00 0.00 C ATOM 0 H LEU B 43 -0.001 -12.909 0.445 1.00 0.00 H new ATOM 0 HA LEU B 43 1.558 -12.607 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.616 -11.828 0.870 1.00 0.00 H new ATOM 0 HB3 LEU B 43 3.204 -12.240 0.254 1.00 0.00 H new ATOM 0 HG LEU B 43 2.465 -10.663 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU B 43 1.124 -8.760 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.195 -10.278 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.816 -9.617 0.563 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.588 -8.795 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.440 -9.654 0.930 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.439 -10.338 -0.374 1.00 0.00 H new ATOM 1872 N ARG B 44 2.191 -15.200 0.006 1.00 0.00 N ATOM 1873 CA ARG B 44 2.911 -16.461 0.067 1.00 0.00 C ATOM 1874 C ARG B 44 2.488 -17.342 -1.111 1.00 0.00 C ATOM 1875 O ARG B 44 3.354 -18.029 -1.672 1.00 0.00 O ATOM 1876 CB ARG B 44 2.636 -17.204 1.375 1.00 0.00 C ATOM 1877 CG ARG B 44 3.635 -16.793 2.460 1.00 0.00 C ATOM 1878 CD ARG B 44 2.911 -16.389 3.746 1.00 0.00 C ATOM 1879 NE ARG B 44 2.656 -17.583 4.581 1.00 0.00 N ATOM 1880 CZ ARG B 44 2.822 -17.621 5.919 1.00 0.00 C ATOM 1881 NH1 ARG B 44 3.244 -16.517 6.553 1.00 0.00 N ATOM 1882 NH2 ARG B 44 2.570 -18.744 6.606 1.00 0.00 N ATOM 0 H ARG B 44 1.515 -15.068 0.758 1.00 0.00 H new ATOM 0 HA ARG B 44 3.978 -16.244 0.018 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.621 -16.992 1.711 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.698 -18.279 1.207 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.315 -17.620 2.665 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.243 -15.961 2.104 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.513 -15.669 4.301 1.00 0.00 H new ATOM 0 HD3 ARG B 44 1.969 -15.897 3.503 1.00 0.00 H new ATOM 0 HE ARG B 44 2.334 -18.432 4.115 1.00 0.00 H new ATOM 0 HH11 ARG B 44 3.434 -15.666 6.024 1.00 0.00 H new ATOM 0 HH12 ARG B 44 3.375 -16.528 7.565 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.250 -19.580 6.117 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.699 -18.763 7.618 1.00 0.00 H new ATOM 1896 N GLY B 45 1.189 -17.304 -1.456 1.00 0.00 N ATOM 1897 CA GLY B 45 0.661 -18.093 -2.555 1.00 0.00 C ATOM 1898 C GLY B 45 1.297 -17.624 -3.865 1.00 0.00 C ATOM 1899 O GLY B 45 1.708 -18.481 -4.662 1.00 0.00 O ATOM 0 H GLY B 45 0.493 -16.730 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.872 -19.150 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.423 -17.988 -2.605 1.00 0.00 H new ATOM 1903 N ARG B 46 1.363 -16.294 -4.061 1.00 0.00 N ATOM 1904 CA ARG B 46 1.942 -15.720 -5.263 1.00 0.00 C ATOM 1905 C ARG B 46 3.456 -15.944 -5.251 1.00 0.00 C ATOM 1906 O ARG B 46 4.020 -16.217 -6.321 1.00 0.00 O ATOM 1907 CB ARG B 46 1.656 -14.221 -5.366 1.00 0.00 C ATOM 1908 CG ARG B 46 0.187 -13.966 -5.709 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.008 -12.555 -6.267 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.140 -12.539 -7.221 1.00 0.00 N ATOM 1911 CZ ARG B 46 -1.222 -11.711 -8.284 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -0.229 -10.840 -8.509 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -2.281 -11.759 -9.102 1.00 0.00 N ATOM 0 H ARG B 46 1.018 -15.605 -3.393 1.00 0.00 H new ATOM 0 HA ARG B 46 1.490 -16.212 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.903 -13.734 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.294 -13.777 -6.130 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.152 -14.700 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.426 -14.097 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.198 -11.856 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.903 -12.223 -6.765 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.906 -13.195 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.574 -10.809 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -0.276 -10.208 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -3.033 -12.425 -8.924 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.336 -11.130 -9.903 1.00 0.00 H new ATOM 1927 N GLY B 47 4.073 -15.826 -4.061 1.00 0.00 N ATOM 1928 CA GLY B 47 5.506 -16.014 -3.915 1.00 0.00 C ATOM 1929 C GLY B 47 5.872 -17.446 -4.314 1.00 0.00 C ATOM 1930 O GLY B 47 6.932 -17.634 -4.928 1.00 0.00 O ATOM 0 H GLY B 47 3.590 -15.600 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY B 47 6.043 -15.301 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.806 -15.823 -2.885 1.00 0.00 H new ATOM 1934 N SER B 48 5.001 -18.409 -3.964 1.00 0.00 N ATOM 1935 CA SER B 48 5.231 -19.808 -4.284 1.00 0.00 C ATOM 1936 C SER B 48 4.929 -20.044 -5.765 1.00 0.00 C ATOM 1937 O SER B 48 5.764 -20.657 -6.447 1.00 0.00 O ATOM 1938 CB SER B 48 4.375 -20.730 -3.413 1.00 0.00 C ATOM 1939 OG SER B 48 5.128 -21.817 -2.885 1.00 0.00 O ATOM 0 H SER B 48 4.133 -18.232 -3.459 1.00 0.00 H new ATOM 0 HA SER B 48 6.276 -20.043 -4.080 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.943 -20.156 -2.593 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.544 -21.117 -4.003 1.00 0.00 H new ATOM 0 HG SER B 48 4.546 -22.381 -2.334 1.00 0.00 H new ATOM 1945 N THR B 49 3.761 -19.561 -6.226 1.00 0.00 N ATOM 1946 CA THR B 49 3.356 -19.720 -7.612 1.00 0.00 C ATOM 1947 C THR B 49 4.418 -19.102 -8.523 1.00 0.00 C ATOM 1948 O THR B 49 4.977 -19.829 -9.357 1.00 0.00 O ATOM 1949 CB THR B 49 1.969 -19.100 -7.790 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.139 -19.844 -6.901 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.375 -19.378 -9.173 1.00 0.00 C ATOM 0 H THR B 49 3.088 -19.058 -5.648 1.00 0.00 H new ATOM 0 HA THR B 49 3.280 -20.771 -7.889 1.00 0.00 H new ATOM 0 HB THR B 49 2.031 -18.023 -7.631 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.029 -19.347 -6.064 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.391 -18.916 -9.246 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.029 -18.962 -9.940 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.282 -20.454 -9.320 1.00 0.00 H new ATOM 1959 N LEU B 50 4.672 -17.792 -8.349 1.00 0.00 N ATOM 1960 CA LEU B 50 5.658 -17.085 -9.150 1.00 0.00 C ATOM 1961 C LEU B 50 7.056 -17.593 -8.792 1.00 0.00 C ATOM 1962 O LEU B 50 7.933 -17.572 -9.668 1.00 0.00 O ATOM 1963 CB LEU B 50 5.493 -15.572 -8.991 1.00 0.00 C ATOM 1964 CG LEU B 50 4.105 -15.012 -9.310 1.00 0.00 C ATOM 1965 CD1 LEU B 50 3.944 -13.597 -8.749 1.00 0.00 C ATOM 1966 CD2 LEU B 50 3.821 -15.070 -10.811 1.00 0.00 C ATOM 0 H LEU B 50 4.201 -17.210 -7.656 1.00 0.00 H new ATOM 0 HA LEU B 50 5.506 -17.288 -10.210 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.744 -15.305 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.220 -15.077 -9.636 1.00 0.00 H new ATOM 0 HG LEU B 50 3.362 -15.640 -8.819 1.00 0.00 H new ATOM 0 HD11 LEU B 50 2.949 -13.221 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.073 -13.618 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU B 50 4.695 -12.943 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU B 50 2.828 -14.666 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU B 50 4.566 -14.481 -11.345 1.00 0.00 H new ATOM 0 HD23 LEU B 50 3.866 -16.105 -11.150 1.00 0.00 H new ATOM 1978 N GLY B 51 7.235 -18.030 -7.534 1.00 0.00 N ATOM 1979 CA GLY B 51 8.515 -18.537 -7.068 1.00 0.00 C ATOM 1980 C GLY B 51 9.539 -17.400 -7.070 1.00 0.00 C ATOM 1981 O GLY B 51 10.735 -17.685 -7.225 1.00 0.00 O ATOM 0 H GLY B 51 6.500 -18.038 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.413 -18.948 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY B 51 8.854 -19.349 -7.712 1.00 0.00 H new ATOM 1985 N LEU B 52 9.059 -16.156 -6.902 1.00 0.00 N ATOM 1986 CA LEU B 52 9.927 -14.991 -6.885 1.00 0.00 C ATOM 1987 C LEU B 52 10.206 -14.589 -5.435 1.00 0.00 C ATOM 1988 O LEU B 52 9.305 -14.738 -4.597 1.00 0.00 O ATOM 1989 CB LEU B 52 9.329 -13.864 -7.730 1.00 0.00 C ATOM 1990 CG LEU B 52 9.633 -13.915 -9.229 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.781 -12.903 -9.997 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.128 -13.721 -9.490 1.00 0.00 C ATOM 0 H LEU B 52 8.070 -15.943 -6.777 1.00 0.00 H new ATOM 0 HA LEU B 52 10.888 -15.226 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU B 52 8.247 -13.873 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.690 -12.913 -7.339 1.00 0.00 H new ATOM 0 HG LEU B 52 9.366 -14.905 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.017 -12.960 -11.060 1.00 0.00 H new ATOM 0 HD12 LEU B 52 7.725 -13.128 -9.847 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.993 -11.898 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU B 52 11.318 -13.761 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.442 -12.752 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.690 -14.511 -8.992 1.00 0.00 H new ATOM 2004 N ASN B 53 11.431 -14.098 -5.172 1.00 0.00 N ATOM 2005 CA ASN B 53 11.822 -13.680 -3.837 1.00 0.00 C ATOM 2006 C ASN B 53 11.038 -12.425 -3.449 1.00 0.00 C ATOM 2007 O ASN B 53 11.033 -11.466 -4.235 1.00 0.00 O ATOM 2008 CB ASN B 53 13.313 -13.342 -3.781 1.00 0.00 C ATOM 2009 CG ASN B 53 13.875 -13.575 -2.377 1.00 0.00 C ATOM 2010 OD1 ASN B 53 13.193 -12.965 -1.413 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 14.864 -14.263 -2.182 1.00 0.00 N flip ATOM 0 H ASN B 53 12.160 -13.986 -5.876 1.00 0.00 H new ATOM 0 HA ASN B 53 11.612 -14.501 -3.152 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.856 -13.955 -4.500 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.465 -12.302 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.342 -14.704 -2.968 1.00 0.00 H new ATOM 0 HD22 ASN B 53 15.213 -14.397 -1.233 1.00 0.00 H new ATOM 2018 N ILE B 54 10.401 -12.455 -2.265 1.00 0.00 N ATOM 2019 CA ILE B 54 9.623 -11.328 -1.780 1.00 0.00 C ATOM 2020 C ILE B 54 10.570 -10.221 -1.316 1.00 0.00 C ATOM 2021 O ILE B 54 10.252 -9.042 -1.533 1.00 0.00 O ATOM 2022 CB ILE B 54 8.635 -11.782 -0.705 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.335 -12.289 -1.333 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.383 -10.669 0.314 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.608 -13.438 -2.306 1.00 0.00 C ATOM 0 H ILE B 54 10.417 -13.255 -1.633 1.00 0.00 H new ATOM 0 HA ILE B 54 9.015 -10.912 -2.583 1.00 0.00 H new ATOM 0 HB ILE B 54 9.079 -12.618 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.655 -12.625 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.838 -11.473 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.677 -11.018 1.067 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.322 -10.397 0.796 1.00 0.00 H new ATOM 0 HG23 ILE B 54 7.970 -9.797 -0.194 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.668 -13.780 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.269 -13.092 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.083 -14.262 -1.773 1.00 0.00 H new ATOM 2037 N GLU B 55 11.698 -10.613 -0.698 1.00 0.00 N ATOM 2038 CA GLU B 55 12.681 -9.660 -0.210 1.00 0.00 C ATOM 2039 C GLU B 55 13.212 -8.836 -1.384 1.00 0.00 C ATOM 2040 O GLU B 55 13.230 -7.600 -1.277 1.00 0.00 O ATOM 2041 CB GLU B 55 13.822 -10.359 0.531 1.00 0.00 C ATOM 2042 CG GLU B 55 13.328 -10.978 1.840 1.00 0.00 C ATOM 2043 CD GLU B 55 14.496 -11.535 2.658 1.00 0.00 C ATOM 2044 OE1 GLU B 55 15.613 -10.910 2.509 1.00 0.00 O ATOM 2045 OE2 GLU B 55 14.324 -12.520 3.392 1.00 0.00 O ATOM 0 H GLU B 55 11.942 -11.589 -0.530 1.00 0.00 H new ATOM 0 HA GLU B 55 12.198 -8.995 0.507 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.251 -11.135 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.617 -9.643 0.740 1.00 0.00 H new ATOM 0 HG2 GLU B 55 12.796 -10.227 2.424 1.00 0.00 H new ATOM 0 HG3 GLU B 55 12.617 -11.776 1.624 1.00 0.00 H new ATOM 2052 N ALA B 56 13.629 -9.523 -2.462 1.00 0.00 N ATOM 2053 CA ALA B 56 14.155 -8.858 -3.642 1.00 0.00 C ATOM 2054 C ALA B 56 13.034 -8.068 -4.321 1.00 0.00 C ATOM 2055 O ALA B 56 13.316 -6.989 -4.861 1.00 0.00 O ATOM 2056 CB ALA B 56 14.619 -9.904 -4.659 1.00 0.00 C ATOM 0 H ALA B 56 13.607 -10.541 -2.529 1.00 0.00 H new ATOM 0 HA ALA B 56 14.976 -8.210 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA B 56 15.013 -9.402 -5.543 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.399 -10.522 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.776 -10.533 -4.944 1.00 0.00 H new ATOM 2062 N ALA B 57 11.805 -8.612 -4.280 1.00 0.00 N ATOM 2063 CA ALA B 57 10.655 -7.963 -4.886 1.00 0.00 C ATOM 2064 C ALA B 57 10.418 -6.614 -4.203 1.00 0.00 C ATOM 2065 O ALA B 57 10.190 -5.625 -4.916 1.00 0.00 O ATOM 2066 CB ALA B 57 9.399 -8.799 -4.632 1.00 0.00 C ATOM 0 H ALA B 57 11.594 -9.502 -3.829 1.00 0.00 H new ATOM 0 HA ALA B 57 10.846 -7.847 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.538 -8.310 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.527 -9.789 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.236 -8.894 -3.558 1.00 0.00 H new ATOM 2072 N THR B 58 10.476 -6.601 -2.860 1.00 0.00 N ATOM 2073 CA THR B 58 10.269 -5.384 -2.092 1.00 0.00 C ATOM 2074 C THR B 58 11.319 -4.346 -2.498 1.00 0.00 C ATOM 2075 O THR B 58 10.976 -3.157 -2.564 1.00 0.00 O ATOM 2076 CB THR B 58 10.305 -5.734 -0.603 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.141 -6.533 -0.407 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.074 -4.514 0.290 1.00 0.00 C ATOM 0 H THR B 58 10.666 -7.427 -2.293 1.00 0.00 H new ATOM 0 HA THR B 58 9.295 -4.940 -2.298 1.00 0.00 H new ATOM 0 HB THR B 58 11.266 -6.186 -0.359 1.00 0.00 H new ATOM 0 HG1 THR B 58 9.299 -7.433 -0.761 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.109 -4.817 1.336 1.00 0.00 H new ATOM 0 HG22 THR B 58 10.850 -3.772 0.101 1.00 0.00 H new ATOM 0 HG23 THR B 58 9.098 -4.082 0.070 1.00 0.00 H new ATOM 2086 N HIS B 59 12.554 -4.809 -2.757 1.00 0.00 N ATOM 2087 CA HIS B 59 13.640 -3.927 -3.151 1.00 0.00 C ATOM 2088 C HIS B 59 13.294 -3.265 -4.485 1.00 0.00 C ATOM 2089 O HIS B 59 13.416 -2.035 -4.583 1.00 0.00 O ATOM 2090 CB HIS B 59 14.971 -4.681 -3.190 1.00 0.00 C ATOM 2091 CG HIS B 59 15.585 -4.913 -1.830 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.928 -4.705 -1.568 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.026 -5.338 -0.661 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.155 -4.995 -0.295 1.00 0.00 C ATOM 2095 NE2 HIS B 59 15.975 -5.388 0.265 1.00 0.00 N ATOM 0 H HIS B 59 12.815 -5.793 -2.697 1.00 0.00 H new ATOM 0 HA HIS B 59 13.763 -3.138 -2.409 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.817 -5.644 -3.677 1.00 0.00 H new ATOM 0 HB3 HIS B 59 15.676 -4.122 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS B 59 13.986 -5.591 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.107 -4.931 0.210 1.00 0.00 H new ATOM 0 HE2 HIS B 59 15.844 -5.673 1.235 1.00 0.00 H new ATOM 2103 N VAL B 60 12.875 -4.079 -5.472 1.00 0.00 N ATOM 2104 CA VAL B 60 12.516 -3.574 -6.785 1.00 0.00 C ATOM 2105 C VAL B 60 11.420 -2.517 -6.640 1.00 0.00 C ATOM 2106 O VAL B 60 11.507 -1.480 -7.314 1.00 0.00 O ATOM 2107 CB VAL B 60 12.110 -4.735 -7.698 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.592 -4.219 -9.042 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.273 -5.710 -7.894 1.00 0.00 C ATOM 0 H VAL B 60 12.781 -5.090 -5.372 1.00 0.00 H new ATOM 0 HA VAL B 60 13.372 -3.090 -7.255 1.00 0.00 H new ATOM 0 HB VAL B 60 11.298 -5.277 -7.213 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.310 -5.063 -9.672 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.722 -3.583 -8.877 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.374 -3.643 -9.536 1.00 0.00 H new ATOM 0 HG21 VAL B 60 12.959 -6.525 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.114 -5.186 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL B 60 13.576 -6.114 -6.928 1.00 0.00 H new ATOM 2119 N GLY B 61 10.427 -2.794 -5.776 1.00 0.00 N ATOM 2120 CA GLY B 61 9.327 -1.874 -5.545 1.00 0.00 C ATOM 2121 C GLY B 61 9.881 -0.539 -5.044 1.00 0.00 C ATOM 2122 O GLY B 61 9.454 0.506 -5.557 1.00 0.00 O ATOM 0 H GLY B 61 10.375 -3.654 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.764 -1.724 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.636 -2.292 -4.813 1.00 0.00 H new ATOM 2126 N LYS B 62 10.805 -0.598 -4.069 1.00 0.00 N ATOM 2127 CA LYS B 62 11.409 0.597 -3.507 1.00 0.00 C ATOM 2128 C LYS B 62 11.884 1.506 -4.641 1.00 0.00 C ATOM 2129 O LYS B 62 11.627 2.717 -4.574 1.00 0.00 O ATOM 2130 CB LYS B 62 12.513 0.224 -2.515 1.00 0.00 C ATOM 2131 CG LYS B 62 13.520 1.365 -2.359 1.00 0.00 C ATOM 2132 CD LYS B 62 12.861 2.596 -1.731 1.00 0.00 C ATOM 2133 CE LYS B 62 13.117 3.845 -2.575 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.875 4.843 -1.802 1.00 0.00 N ATOM 0 H LYS B 62 11.143 -1.469 -3.661 1.00 0.00 H new ATOM 0 HA LYS B 62 10.673 1.161 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.072 -0.011 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS B 62 13.026 -0.674 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS B 62 14.353 1.037 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.933 1.626 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.788 2.430 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.250 2.747 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.671 3.576 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS B 62 12.168 4.272 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 13.401 5.766 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.921 4.548 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.839 4.920 -2.185 1.00 0.00 H new ATOM 2148 N GLN B 63 12.557 0.915 -5.646 1.00 0.00 N ATOM 2149 CA GLN B 63 13.061 1.667 -6.782 1.00 0.00 C ATOM 2150 C GLN B 63 11.884 2.141 -7.637 1.00 0.00 C ATOM 2151 O GLN B 63 11.960 3.253 -8.181 1.00 0.00 O ATOM 2152 CB GLN B 63 14.043 0.837 -7.613 1.00 0.00 C ATOM 2153 CG GLN B 63 15.487 1.119 -7.196 1.00 0.00 C ATOM 2154 CD GLN B 63 15.840 0.376 -5.905 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.383 -0.872 -5.858 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.485 0.900 -5.013 1.00 0.00 N flip ATOM 0 H GLN B 63 12.758 -0.084 -5.683 1.00 0.00 H new ATOM 0 HA GLN B 63 13.610 2.534 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.825 -0.224 -7.488 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.915 1.066 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.166 0.814 -7.993 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.625 2.191 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.806 1.863 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.704 0.375 -4.166 1.00 0.00 H new ATOM 2165 N ILE B 64 10.836 1.304 -7.737 1.00 0.00 N ATOM 2166 CA ILE B 64 9.657 1.636 -8.518 1.00 0.00 C ATOM 2167 C ILE B 64 8.994 2.881 -7.928 1.00 0.00 C ATOM 2168 O ILE B 64 8.462 3.691 -8.703 1.00 0.00 O ATOM 2169 CB ILE B 64 8.721 0.429 -8.615 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.233 -0.580 -9.644 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.285 0.871 -8.909 1.00 0.00 C ATOM 2172 CD1 ILE B 64 9.023 -0.065 -11.069 1.00 0.00 C ATOM 0 H ILE B 64 10.793 0.393 -7.281 1.00 0.00 H new ATOM 0 HA ILE B 64 9.936 1.878 -9.544 1.00 0.00 H new ATOM 0 HB ILE B 64 8.711 -0.075 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.293 -0.771 -9.475 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.714 -1.530 -9.517 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.640 -0.006 -8.973 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.934 1.522 -8.109 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.257 1.412 -9.855 1.00 0.00 H new ATOM 0 HD11 ILE B 64 9.396 -0.802 -11.781 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.960 0.102 -11.243 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.563 0.872 -11.200 1.00 0.00 H new ATOM 2184 N VAL B 65 9.037 3.011 -6.590 1.00 0.00 N ATOM 2185 CA VAL B 65 8.445 4.147 -5.906 1.00 0.00 C ATOM 2186 C VAL B 65 9.325 5.381 -6.120 1.00 0.00 C ATOM 2187 O VAL B 65 8.775 6.452 -6.417 1.00 0.00 O ATOM 2188 CB VAL B 65 8.230 3.816 -4.428 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.934 5.081 -3.619 1.00 0.00 C ATOM 2190 CG2 VAL B 65 7.118 2.781 -4.253 1.00 0.00 C ATOM 0 H VAL B 65 9.480 2.334 -5.969 1.00 0.00 H new ATOM 0 HA VAL B 65 7.462 4.372 -6.321 1.00 0.00 H new ATOM 0 HB VAL B 65 9.154 3.382 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.785 4.817 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.773 5.772 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL B 65 7.032 5.557 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.986 2.564 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL B 65 6.187 3.175 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL B 65 7.387 1.865 -4.780 1.00 0.00 H new ATOM 2200 N GLU B 66 10.649 5.209 -5.969 1.00 0.00 N ATOM 2201 CA GLU B 66 11.592 6.300 -6.145 1.00 0.00 C ATOM 2202 C GLU B 66 11.502 6.820 -7.581 1.00 0.00 C ATOM 2203 O GLU B 66 11.735 8.020 -7.790 1.00 0.00 O ATOM 2204 CB GLU B 66 13.021 5.869 -5.808 1.00 0.00 C ATOM 2205 CG GLU B 66 13.459 6.429 -4.453 1.00 0.00 C ATOM 2206 CD GLU B 66 14.953 6.202 -4.222 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.323 4.965 -4.221 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.709 7.169 -4.053 1.00 0.00 O ATOM 0 H GLU B 66 11.081 4.318 -5.725 1.00 0.00 H new ATOM 0 HA GLU B 66 11.331 7.101 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.082 4.781 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU B 66 13.702 6.215 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.239 7.496 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU B 66 12.888 5.952 -3.657 1.00 0.00 H new ATOM 2215 N LYS B 67 11.171 5.923 -8.526 1.00 0.00 N ATOM 2216 CA LYS B 67 11.051 6.289 -9.928 1.00 0.00 C ATOM 2217 C LYS B 67 9.794 7.139 -10.123 1.00 0.00 C ATOM 2218 O LYS B 67 9.846 8.096 -10.910 1.00 0.00 O ATOM 2219 CB LYS B 67 11.094 5.043 -10.813 1.00 0.00 C ATOM 2220 CG LYS B 67 12.535 4.589 -11.054 1.00 0.00 C ATOM 2221 CD LYS B 67 12.660 3.834 -12.378 1.00 0.00 C ATOM 2222 CE LYS B 67 13.748 2.763 -12.298 1.00 0.00 C ATOM 2223 NZ LYS B 67 15.074 3.384 -12.156 1.00 0.00 N ATOM 0 H LYS B 67 10.983 4.939 -8.333 1.00 0.00 H new ATOM 0 HA LYS B 67 11.900 6.899 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS B 67 10.530 4.238 -10.341 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.611 5.254 -11.767 1.00 0.00 H new ATOM 0 HG2 LYS B 67 13.196 5.456 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.860 3.948 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.706 3.370 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS B 67 12.893 4.535 -13.180 1.00 0.00 H new ATOM 0 HE2 LYS B 67 13.556 2.104 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS B 67 13.724 2.144 -13.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 15.806 2.646 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 15.233 4.046 -12.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 15.121 3.900 -11.254 1.00 0.00 H new ATOM 2237 N ILE B 68 8.709 6.780 -9.416 1.00 0.00 N ATOM 2238 CA ILE B 68 7.452 7.505 -9.511 1.00 0.00 C ATOM 2239 C ILE B 68 7.567 8.818 -8.736 1.00 0.00 C ATOM 2240 O ILE B 68 6.912 9.795 -9.130 1.00 0.00 O ATOM 2241 CB ILE B 68 6.288 6.622 -9.056 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.681 5.864 -10.238 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.240 7.442 -8.301 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.464 4.389 -9.891 1.00 0.00 C ATOM 0 H ILE B 68 8.688 5.988 -8.773 1.00 0.00 H new ATOM 0 HA ILE B 68 7.239 7.764 -10.548 1.00 0.00 H new ATOM 0 HB ILE B 68 6.675 5.877 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.731 6.319 -10.517 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.339 5.945 -11.103 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.424 6.790 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.698 7.897 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.851 8.224 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE B 68 5.032 3.873 -10.748 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.420 3.931 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.786 4.311 -9.041 1.00 0.00 H new ATOM 2256 N LEU B 69 8.383 8.818 -7.666 1.00 0.00 N ATOM 2257 CA LEU B 69 8.578 10.001 -6.847 1.00 0.00 C ATOM 2258 C LEU B 69 9.488 10.985 -7.586 1.00 0.00 C ATOM 2259 O LEU B 69 9.325 12.198 -7.394 1.00 0.00 O ATOM 2260 CB LEU B 69 9.093 9.613 -5.458 1.00 0.00 C ATOM 2261 CG LEU B 69 8.032 9.164 -4.451 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.681 8.566 -3.202 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.081 10.312 -4.109 1.00 0.00 C ATOM 0 H LEU B 69 8.914 8.003 -7.358 1.00 0.00 H new ATOM 0 HA LEU B 69 7.628 10.508 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.820 8.809 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.626 10.466 -5.038 1.00 0.00 H new ATOM 0 HG LEU B 69 7.434 8.377 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.905 8.255 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.284 7.702 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU B 69 9.317 9.314 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.337 9.966 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.647 11.137 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.581 10.652 -5.016 1.00 0.00 H new ATOM 2275 N LYS B 70 10.412 10.450 -8.404 1.00 0.00 N ATOM 2276 CA LYS B 70 11.337 11.275 -9.164 1.00 0.00 C ATOM 2277 C LYS B 70 10.558 12.080 -10.206 1.00 0.00 C ATOM 2278 O LYS B 70 11.023 13.167 -10.579 1.00 0.00 O ATOM 2279 CB LYS B 70 12.455 10.417 -9.760 1.00 0.00 C ATOM 2280 CG LYS B 70 13.697 11.259 -10.052 1.00 0.00 C ATOM 2281 CD LYS B 70 14.768 11.049 -8.979 1.00 0.00 C ATOM 2282 CE LYS B 70 14.241 11.438 -7.596 1.00 0.00 C ATOM 2283 NZ LYS B 70 14.173 12.902 -7.463 1.00 0.00 N ATOM 0 H LYS B 70 10.529 9.447 -8.548 1.00 0.00 H new ATOM 0 HA LYS B 70 11.832 11.993 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.710 9.614 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.106 9.947 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS B 70 14.099 10.993 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.424 12.313 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS B 70 15.082 10.005 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS B 70 15.649 11.645 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.252 11.007 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.891 11.027 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.753 13.204 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.532 13.347 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.186 13.191 -7.309 1.00 0.00 H new ATOM 2297 N GLU B 71 9.408 11.540 -10.647 1.00 0.00 N ATOM 2298 CA GLU B 71 8.575 12.205 -11.636 1.00 0.00 C ATOM 2299 C GLU B 71 7.748 13.294 -10.951 1.00 0.00 C ATOM 2300 O GLU B 71 7.266 14.197 -11.650 1.00 0.00 O ATOM 2301 CB GLU B 71 7.674 11.211 -12.370 1.00 0.00 C ATOM 2302 CG GLU B 71 8.174 9.777 -12.186 1.00 0.00 C ATOM 2303 CD GLU B 71 7.374 8.802 -13.052 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.169 9.004 -13.264 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.048 7.803 -13.515 1.00 0.00 O ATOM 0 H GLU B 71 9.043 10.643 -10.327 1.00 0.00 H new ATOM 0 HA GLU B 71 9.220 12.663 -12.386 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.654 11.295 -11.996 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.645 11.456 -13.432 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.230 9.720 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.090 9.491 -11.138 1.00 0.00 H new