USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 40 ASN : amide:sc= 0.999 K(o=4.6,f=-2.9) USER MOD Set 1.2: B 44 ASN : amide:sc= 0.776 K(o=4.6,f=-6.3!) USER MOD Set 1.3: B 46 LYS NZ :NH3+ 164:sc= 2.85 (180deg=0.341) USER MOD Set 2.1: A 27 SER OG : rot 150:sc= 0.315 USER MOD Set 2.2: B 6 CYS SG : rot 174:sc= 0.11 USER MOD Set 2.3: B 9 THR OG1 : rot -49:sc= 0.487 USER MOD Set 3.1: A 39 GLN : amide:sc= 0.559 K(o=1.7,f=-4.4!) USER MOD Set 3.2: B 28 LYS NZ :NH3+ -176:sc= 1.19 (180deg=0) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0) USER MOD Set 4.2: B 43 GLN : amide:sc= 0.948 K(o=2.1,f=-7.4!) USER MOD Set 5.1: A 4 MET CE :methyl -175:sc= 0 (180deg=-0.0251) USER MOD Set 5.2: A 16 ASN : amide:sc= 1.09 K(o=2.6,f=-6.8!) USER MOD Set 5.3: A 18 LYS NZ :NH3+ -168:sc= 1.54 (180deg=1.12) USER MOD Set 6.1: A 6 CYS SG : rot 171:sc= 0.164 USER MOD Set 6.2: A 9 THR OG1 : rot -59:sc= 0.73 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.848 (180deg=0.179) USER MOD Single : A 2 ASN : amide:sc= 0.126 K(o=0.13,f=-2.7!) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.91 K(o=0.91,f=-0.024) USER MOD Single : A 13 SER OG : rot 120:sc= 0.251 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.885 K(o=0.88,f=-0.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.906 K(o=0.91,f=-4.2!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 44 ASN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 129:sc=-2.22e-05 (180deg=-0.0534) USER MOD Single : B 1 MET N :NH3+ -98:sc= 0.0215 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0.195 K(o=0.2,f=-2.8!) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0.583 K(o=0.58,f=-0.019) USER MOD Single : B 13 SER OG : rot -130:sc= -0.0185 USER MOD Single : B 16 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : B 18 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.772) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot -170:sc= 0.104 USER MOD Single : B 33 GLN : amide:sc= -0.0745 X(o=-0.075,f=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.626 K(o=0.63,f=-0.3) USER MOD Single : B 41 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.268 23.047 -12.944 1.00 0.00 N ATOM 2 CA MET A 1 -6.221 22.022 -11.867 1.00 0.00 C ATOM 3 C MET A 1 -4.915 22.109 -11.071 1.00 0.00 C ATOM 4 O MET A 1 -3.927 22.667 -11.551 1.00 0.00 O ATOM 5 CB MET A 1 -6.476 20.591 -12.397 1.00 0.00 C ATOM 6 CG MET A 1 -5.348 19.964 -13.235 1.00 0.00 C ATOM 7 SD MET A 1 -5.003 20.746 -14.837 1.00 0.00 S ATOM 8 CE MET A 1 -3.652 19.678 -15.408 1.00 0.00 C ATOM 0 H1 MET A 1 -7.250 23.359 -13.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.681 23.862 -12.674 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.906 22.638 -13.829 1.00 0.00 H new ATOM 0 HA MET A 1 -7.040 22.246 -11.184 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.672 19.940 -11.545 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.383 20.606 -13.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.433 19.980 -12.643 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.595 18.917 -13.412 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.312 20.014 -16.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.825 19.727 -14.700 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.007 18.650 -15.480 1.00 0.00 H new ATOM 20 N ASN A 2 -4.894 21.554 -9.853 1.00 0.00 N ATOM 21 CA ASN A 2 -3.692 21.477 -9.010 1.00 0.00 C ATOM 22 C ASN A 2 -2.708 20.389 -9.508 1.00 0.00 C ATOM 23 O ASN A 2 -3.100 19.446 -10.203 1.00 0.00 O ATOM 24 CB ASN A 2 -4.136 21.248 -7.549 1.00 0.00 C ATOM 25 CG ASN A 2 -3.054 21.526 -6.511 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.997 22.079 -6.788 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.293 21.170 -5.270 1.00 0.00 N ATOM 0 H ASN A 2 -5.720 21.141 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.140 22.415 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.996 21.884 -7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.470 20.216 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.601 21.354 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.171 20.709 -5.032 1.00 0.00 H new ATOM 34 N CYS A 3 -1.432 20.504 -9.134 1.00 0.00 N ATOM 35 CA CYS A 3 -0.391 19.511 -9.423 1.00 0.00 C ATOM 36 C CYS A 3 -0.529 18.252 -8.542 1.00 0.00 C ATOM 37 O CYS A 3 -1.100 18.296 -7.448 1.00 0.00 O ATOM 38 CB CYS A 3 0.989 20.166 -9.250 1.00 0.00 C ATOM 39 SG CYS A 3 1.226 21.477 -10.488 1.00 0.00 S ATOM 0 H CYS A 3 -1.084 21.307 -8.610 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.507 19.175 -10.454 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.078 20.583 -8.247 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.771 19.414 -9.353 1.00 0.00 H new ATOM 0 HG CYS A 3 2.396 22.021 -10.326 1.00 0.00 H new ATOM 45 N MET A 4 0.035 17.127 -8.998 1.00 0.00 N ATOM 46 CA MET A 4 0.067 15.868 -8.240 1.00 0.00 C ATOM 47 C MET A 4 1.010 15.963 -7.031 1.00 0.00 C ATOM 48 O MET A 4 2.230 15.994 -7.177 1.00 0.00 O ATOM 49 CB MET A 4 0.465 14.704 -9.164 1.00 0.00 C ATOM 50 CG MET A 4 -0.752 14.184 -9.941 1.00 0.00 C ATOM 51 SD MET A 4 -0.445 12.704 -10.949 1.00 0.00 S ATOM 52 CE MET A 4 0.685 13.366 -12.204 1.00 0.00 C ATOM 0 H MET A 4 0.486 17.063 -9.911 1.00 0.00 H new ATOM 0 HA MET A 4 -0.934 15.678 -7.853 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.234 15.035 -9.862 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.897 13.896 -8.573 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.550 13.963 -9.232 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.116 14.979 -10.592 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.893 12.597 -12.948 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.225 14.226 -12.690 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.617 13.673 -11.729 1.00 0.00 H new ATOM 62 N THR A 5 0.433 15.983 -5.831 1.00 0.00 N ATOM 63 CA THR A 5 1.122 16.024 -4.536 1.00 0.00 C ATOM 64 C THR A 5 0.449 15.102 -3.519 1.00 0.00 C ATOM 65 O THR A 5 -0.739 14.790 -3.634 1.00 0.00 O ATOM 66 CB THR A 5 1.174 17.462 -4.007 1.00 0.00 C ATOM 67 OG1 THR A 5 2.053 17.526 -2.912 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.188 18.012 -3.559 1.00 0.00 C ATOM 0 H THR A 5 -0.582 15.970 -5.727 1.00 0.00 H new ATOM 0 HA THR A 5 2.141 15.667 -4.685 1.00 0.00 H new ATOM 0 HB THR A 5 1.514 18.076 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.088 18.445 -2.574 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.067 19.033 -3.198 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.879 18.004 -4.402 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.586 17.389 -2.758 1.00 0.00 H new ATOM 76 N CYS A 6 1.205 14.668 -2.515 1.00 0.00 N ATOM 77 CA CYS A 6 0.735 13.825 -1.431 1.00 0.00 C ATOM 78 C CYS A 6 -0.337 14.505 -0.568 1.00 0.00 C ATOM 79 O CYS A 6 -0.088 15.557 0.015 1.00 0.00 O ATOM 80 CB CYS A 6 1.941 13.377 -0.601 1.00 0.00 C ATOM 81 SG CYS A 6 1.391 12.172 0.628 1.00 0.00 S ATOM 0 H CYS A 6 2.194 14.904 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 6 0.242 12.952 -1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.700 12.937 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.399 14.235 -0.109 1.00 0.00 H new ATOM 0 HG CYS A 6 2.426 11.641 1.209 1.00 0.00 H new ATOM 87 N GLN A 7 -1.502 13.875 -0.395 1.00 0.00 N ATOM 88 CA GLN A 7 -2.545 14.395 0.504 1.00 0.00 C ATOM 89 C GLN A 7 -2.282 14.077 1.997 1.00 0.00 C ATOM 90 O GLN A 7 -2.843 14.738 2.871 1.00 0.00 O ATOM 91 CB GLN A 7 -3.907 13.932 -0.040 1.00 0.00 C ATOM 92 CG GLN A 7 -5.143 14.558 0.641 1.00 0.00 C ATOM 93 CD GLN A 7 -5.847 13.625 1.632 1.00 0.00 C ATOM 94 OE1 GLN A 7 -6.826 12.962 1.318 1.00 0.00 O ATOM 95 NE2 GLN A 7 -5.393 13.533 2.863 1.00 0.00 N ATOM 0 H GLN A 7 -1.750 13.004 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.536 15.485 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.948 14.157 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.969 12.848 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.837 15.464 1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.855 14.859 -0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.578 14.076 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.856 12.918 3.533 1.00 0.00 H new ATOM 104 N VAL A 8 -1.403 13.112 2.311 1.00 0.00 N ATOM 105 CA VAL A 8 -1.027 12.726 3.696 1.00 0.00 C ATOM 106 C VAL A 8 0.191 13.504 4.227 1.00 0.00 C ATOM 107 O VAL A 8 0.313 13.706 5.436 1.00 0.00 O ATOM 108 CB VAL A 8 -0.805 11.195 3.775 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.347 10.689 5.149 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.108 10.454 3.441 1.00 0.00 C ATOM 0 H VAL A 8 -0.920 12.562 1.601 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.857 12.998 4.349 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.011 10.993 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.216 9.607 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.600 11.160 5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.098 10.939 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.940 9.379 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.882 10.740 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.428 10.717 2.433 1.00 0.00 H new ATOM 120 N THR A 9 1.082 13.966 3.340 1.00 0.00 N ATOM 121 CA THR A 9 2.379 14.591 3.700 1.00 0.00 C ATOM 122 C THR A 9 2.636 15.930 3.009 1.00 0.00 C ATOM 123 O THR A 9 3.269 16.815 3.588 1.00 0.00 O ATOM 124 CB THR A 9 3.564 13.654 3.411 1.00 0.00 C ATOM 125 OG1 THR A 9 3.793 13.541 2.022 1.00 0.00 O ATOM 126 CG2 THR A 9 3.336 12.242 3.942 1.00 0.00 C ATOM 0 H THR A 9 0.927 13.919 2.333 1.00 0.00 H new ATOM 0 HA THR A 9 2.301 14.778 4.771 1.00 0.00 H new ATOM 0 HB THR A 9 4.420 14.102 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.988 13.194 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.202 11.622 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.193 12.278 5.022 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.449 11.816 3.473 1.00 0.00 H new ATOM 134 N GLY A 10 2.133 16.089 1.782 1.00 0.00 N ATOM 135 CA GLY A 10 2.332 17.293 0.956 1.00 0.00 C ATOM 136 C GLY A 10 3.558 17.235 0.037 1.00 0.00 C ATOM 137 O GLY A 10 3.917 18.242 -0.575 1.00 0.00 O ATOM 0 H GLY A 10 1.566 15.376 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.443 17.451 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.426 18.158 1.613 1.00 0.00 H new ATOM 141 N GLU A 11 4.221 16.078 -0.057 1.00 0.00 N ATOM 142 CA GLU A 11 5.346 15.839 -0.967 1.00 0.00 C ATOM 143 C GLU A 11 4.920 15.470 -2.394 1.00 0.00 C ATOM 144 O GLU A 11 3.948 14.756 -2.616 1.00 0.00 O ATOM 145 CB GLU A 11 6.259 14.749 -0.395 1.00 0.00 C ATOM 146 CG GLU A 11 7.108 15.269 0.766 1.00 0.00 C ATOM 147 CD GLU A 11 8.068 16.417 0.380 1.00 0.00 C ATOM 148 OE1 GLU A 11 8.622 16.414 -0.746 1.00 0.00 O ATOM 149 OE2 GLU A 11 8.276 17.338 1.207 1.00 0.00 O ATOM 0 H GLU A 11 3.985 15.264 0.510 1.00 0.00 H new ATOM 0 HA GLU A 11 5.884 16.784 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.653 13.909 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.912 14.372 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.446 15.615 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.691 14.443 1.174 1.00 0.00 H new ATOM 156 N VAL A 12 5.709 15.915 -3.366 1.00 0.00 N ATOM 157 CA VAL A 12 5.509 15.670 -4.807 1.00 0.00 C ATOM 158 C VAL A 12 6.645 14.834 -5.409 1.00 0.00 C ATOM 159 O VAL A 12 7.821 15.182 -5.288 1.00 0.00 O ATOM 160 CB VAL A 12 5.249 16.986 -5.582 1.00 0.00 C ATOM 161 CG1 VAL A 12 6.195 18.137 -5.204 1.00 0.00 C ATOM 162 CG2 VAL A 12 5.334 16.805 -7.105 1.00 0.00 C ATOM 0 H VAL A 12 6.538 16.478 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 12 4.605 15.070 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 12 4.234 17.250 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.946 19.021 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.086 18.364 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.225 17.844 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.143 17.759 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.329 16.451 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.590 16.076 -7.427 1.00 0.00 H new ATOM 172 N SER A 13 6.280 13.753 -6.110 1.00 0.00 N ATOM 173 CA SER A 13 7.158 13.002 -7.018 1.00 0.00 C ATOM 174 C SER A 13 6.563 12.917 -8.429 1.00 0.00 C ATOM 175 O SER A 13 5.357 12.716 -8.600 1.00 0.00 O ATOM 176 CB SER A 13 7.397 11.599 -6.455 1.00 0.00 C ATOM 177 OG SER A 13 8.156 10.822 -7.364 1.00 0.00 O ATOM 0 H SER A 13 5.338 13.365 -6.060 1.00 0.00 H new ATOM 0 HA SER A 13 8.108 13.530 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.920 11.668 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.442 11.111 -6.260 1.00 0.00 H new ATOM 0 HG SER A 13 8.991 10.541 -6.936 1.00 0.00 H new ATOM 183 N ASP A 14 7.411 12.991 -9.456 1.00 0.00 N ATOM 184 CA ASP A 14 7.038 12.739 -10.855 1.00 0.00 C ATOM 185 C ASP A 14 6.737 11.247 -11.133 1.00 0.00 C ATOM 186 O ASP A 14 6.140 10.924 -12.161 1.00 0.00 O ATOM 187 CB ASP A 14 8.117 13.287 -11.807 1.00 0.00 C ATOM 188 CG ASP A 14 9.553 12.837 -11.479 1.00 0.00 C ATOM 189 OD1 ASP A 14 10.090 13.230 -10.415 1.00 0.00 O ATOM 190 OD2 ASP A 14 10.166 12.127 -12.313 1.00 0.00 O ATOM 0 H ASP A 14 8.395 13.232 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 14 6.107 13.274 -11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.877 12.976 -12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.079 14.376 -11.789 1.00 0.00 H new ATOM 195 N ASP A 15 7.070 10.341 -10.203 1.00 0.00 N ATOM 196 CA ASP A 15 6.637 8.942 -10.179 1.00 0.00 C ATOM 197 C ASP A 15 5.346 8.692 -9.367 1.00 0.00 C ATOM 198 O ASP A 15 4.778 7.607 -9.478 1.00 0.00 O ATOM 199 CB ASP A 15 7.795 8.077 -9.671 1.00 0.00 C ATOM 200 CG ASP A 15 9.082 8.255 -10.498 1.00 0.00 C ATOM 201 OD1 ASP A 15 9.095 7.836 -11.682 1.00 0.00 O ATOM 202 OD2 ASP A 15 10.086 8.788 -9.970 1.00 0.00 O ATOM 0 H ASP A 15 7.674 10.576 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 15 6.375 8.664 -11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.000 8.328 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.496 7.029 -9.694 1.00 0.00 H new ATOM 207 N ASN A 16 4.889 9.683 -8.578 1.00 0.00 N ATOM 208 CA ASN A 16 3.600 9.783 -7.860 1.00 0.00 C ATOM 209 C ASN A 16 2.919 8.448 -7.483 1.00 0.00 C ATOM 210 O ASN A 16 2.163 7.865 -8.265 1.00 0.00 O ATOM 211 CB ASN A 16 2.635 10.753 -8.584 1.00 0.00 C ATOM 212 CG ASN A 16 2.705 10.718 -10.101 1.00 0.00 C ATOM 213 OD1 ASN A 16 2.065 9.916 -10.769 1.00 0.00 O ATOM 214 ND2 ASN A 16 3.485 11.601 -10.678 1.00 0.00 N ATOM 0 H ASN A 16 5.463 10.509 -8.411 1.00 0.00 H new ATOM 0 HA ASN A 16 3.864 10.201 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.615 10.522 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.846 11.769 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.564 11.625 -11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.013 12.264 -10.110 1.00 0.00 H new ATOM 221 N LEU A 17 3.134 8.003 -6.243 1.00 0.00 N ATOM 222 CA LEU A 17 2.521 6.813 -5.652 1.00 0.00 C ATOM 223 C LEU A 17 1.018 7.027 -5.434 1.00 0.00 C ATOM 224 O LEU A 17 0.549 8.162 -5.368 1.00 0.00 O ATOM 225 CB LEU A 17 3.255 6.457 -4.338 1.00 0.00 C ATOM 226 CG LEU A 17 4.783 6.347 -4.481 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.454 5.988 -3.154 1.00 0.00 C ATOM 228 CD2 LEU A 17 5.148 5.363 -5.588 1.00 0.00 C ATOM 0 H LEU A 17 3.764 8.481 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 17 2.622 5.971 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.025 7.215 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.867 5.510 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 17 5.165 7.327 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.532 5.920 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.235 6.759 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.074 5.029 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.233 5.298 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.744 4.379 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.729 5.707 -6.533 1.00 0.00 H new ATOM 240 N LYS A 18 0.234 5.944 -5.380 1.00 0.00 N ATOM 241 CA LYS A 18 -1.240 6.034 -5.375 1.00 0.00 C ATOM 242 C LYS A 18 -1.934 5.078 -4.391 1.00 0.00 C ATOM 243 O LYS A 18 -1.441 3.987 -4.107 1.00 0.00 O ATOM 244 CB LYS A 18 -1.790 5.918 -6.811 1.00 0.00 C ATOM 245 CG LYS A 18 -1.135 6.905 -7.790 1.00 0.00 C ATOM 246 CD LYS A 18 -1.741 6.880 -9.197 1.00 0.00 C ATOM 247 CE LYS A 18 -1.089 7.962 -10.072 1.00 0.00 C ATOM 248 NZ LYS A 18 0.335 7.673 -10.392 1.00 0.00 N ATOM 0 H LYS A 18 0.592 4.990 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.488 7.023 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.635 4.901 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.866 6.091 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.222 7.914 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.071 6.680 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.593 5.899 -9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.817 7.046 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.652 8.058 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.153 8.922 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.777 8.519 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.840 7.408 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.385 6.889 -11.073 1.00 0.00 H new ATOM 262 N LEU A 19 -3.083 5.520 -3.871 1.00 0.00 N ATOM 263 CA LEU A 19 -3.835 4.906 -2.763 1.00 0.00 C ATOM 264 C LEU A 19 -4.568 3.612 -3.161 1.00 0.00 C ATOM 265 O LEU A 19 -4.829 3.357 -4.337 1.00 0.00 O ATOM 266 CB LEU A 19 -4.727 6.002 -2.129 1.00 0.00 C ATOM 267 CG LEU A 19 -5.244 5.738 -0.694 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.206 7.017 0.140 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.700 5.275 -0.699 1.00 0.00 C ATOM 0 H LEU A 19 -3.541 6.359 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.147 4.545 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.164 6.935 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.589 6.155 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.596 4.969 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.574 6.807 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.181 7.383 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.836 7.774 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.029 5.099 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.325 6.044 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.786 4.351 -1.271 1.00 0.00 H new ATOM 281 N ALA A 20 -4.889 2.782 -2.169 1.00 0.00 N ATOM 282 CA ALA A 20 -5.380 1.413 -2.363 1.00 0.00 C ATOM 283 C ALA A 20 -6.875 1.331 -2.743 1.00 0.00 C ATOM 284 O ALA A 20 -7.647 2.251 -2.469 1.00 0.00 O ATOM 285 CB ALA A 20 -5.052 0.585 -1.111 1.00 0.00 C ATOM 0 H ALA A 20 -4.814 3.046 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.863 0.993 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.413 -0.435 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.973 0.571 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.537 1.031 -0.243 1.00 0.00 H new ATOM 291 N GLY A 21 -7.292 0.222 -3.373 1.00 0.00 N ATOM 292 CA GLY A 21 -8.685 0.015 -3.819 1.00 0.00 C ATOM 293 C GLY A 21 -9.166 -1.442 -3.730 1.00 0.00 C ATOM 294 O GLY A 21 -10.341 -1.683 -3.450 1.00 0.00 O ATOM 0 H GLY A 21 -6.674 -0.560 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.344 0.641 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.778 0.354 -4.851 1.00 0.00 H new ATOM 298 N GLY A 22 -8.253 -2.408 -3.881 1.00 0.00 N ATOM 299 CA GLY A 22 -8.447 -3.812 -3.520 1.00 0.00 C ATOM 300 C GLY A 22 -8.634 -4.760 -4.704 1.00 0.00 C ATOM 301 O GLY A 22 -9.723 -5.306 -4.895 1.00 0.00 O ATOM 0 H GLY A 22 -7.329 -2.225 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.587 -4.145 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.319 -3.888 -2.871 1.00 0.00 H new ATOM 305 N LYS A 23 -7.567 -4.983 -5.489 1.00 0.00 N ATOM 306 CA LYS A 23 -7.596 -5.884 -6.663 1.00 0.00 C ATOM 307 C LYS A 23 -7.535 -7.381 -6.312 1.00 0.00 C ATOM 308 O LYS A 23 -8.164 -8.195 -6.988 1.00 0.00 O ATOM 309 CB LYS A 23 -6.480 -5.527 -7.662 1.00 0.00 C ATOM 310 CG LYS A 23 -6.568 -4.097 -8.217 1.00 0.00 C ATOM 311 CD LYS A 23 -5.505 -3.883 -9.305 1.00 0.00 C ATOM 312 CE LYS A 23 -5.575 -2.457 -9.861 1.00 0.00 C ATOM 313 NZ LYS A 23 -4.556 -2.228 -10.918 1.00 0.00 N ATOM 0 H LYS A 23 -6.659 -4.546 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.569 -5.720 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.514 -5.657 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.513 -6.231 -8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.561 -3.920 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.424 -3.377 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.513 -4.069 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.654 -4.600 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.569 -2.274 -10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.426 -1.743 -9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.634 -1.252 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.606 -2.378 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.714 -2.893 -11.702 1.00 0.00 H new ATOM 327 N LEU A 24 -6.775 -7.739 -5.272 1.00 0.00 N ATOM 328 CA LEU A 24 -6.530 -9.115 -4.803 1.00 0.00 C ATOM 329 C LEU A 24 -6.125 -9.112 -3.317 1.00 0.00 C ATOM 330 O LEU A 24 -5.663 -8.085 -2.826 1.00 0.00 O ATOM 331 CB LEU A 24 -5.434 -9.745 -5.692 1.00 0.00 C ATOM 332 CG LEU A 24 -5.232 -11.267 -5.545 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.509 -12.071 -5.803 1.00 0.00 C ATOM 334 CD2 LEU A 24 -4.184 -11.729 -6.554 1.00 0.00 C ATOM 0 H LEU A 24 -6.288 -7.046 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.439 -9.710 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.672 -9.530 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.488 -9.251 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.922 -11.444 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.300 -13.134 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.278 -11.770 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.859 -11.882 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.035 -12.804 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.525 -11.500 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.243 -11.213 -6.363 1.00 0.00 H new ATOM 346 N VAL A 25 -6.282 -10.231 -2.598 1.00 0.00 N ATOM 347 CA VAL A 25 -6.046 -10.329 -1.143 1.00 0.00 C ATOM 348 C VAL A 25 -4.591 -10.666 -0.797 1.00 0.00 C ATOM 349 O VAL A 25 -3.953 -11.536 -1.395 1.00 0.00 O ATOM 350 CB VAL A 25 -6.993 -11.345 -0.470 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.690 -11.526 1.026 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.452 -10.890 -0.586 1.00 0.00 C ATOM 0 H VAL A 25 -6.582 -11.112 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.261 -9.336 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.834 -12.289 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.384 -12.251 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.668 -11.885 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.803 -10.571 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.101 -11.622 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.571 -9.923 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.723 -10.802 -1.638 1.00 0.00 H new ATOM 362 N LEU A 26 -4.091 -9.945 0.203 1.00 0.00 N ATOM 363 CA LEU A 26 -2.777 -10.043 0.829 1.00 0.00 C ATOM 364 C LEU A 26 -2.894 -10.057 2.364 1.00 0.00 C ATOM 365 O LEU A 26 -3.877 -9.586 2.938 1.00 0.00 O ATOM 366 CB LEU A 26 -1.859 -8.921 0.308 1.00 0.00 C ATOM 367 CG LEU A 26 -1.300 -9.207 -1.104 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.209 -8.727 -2.242 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.025 -8.491 -1.312 1.00 0.00 C ATOM 0 H LEU A 26 -4.649 -9.209 0.635 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.318 -10.992 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.414 -7.983 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.029 -8.787 1.001 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.207 -10.292 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.748 -8.964 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.175 -9.226 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.351 -7.649 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.401 -8.706 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.121 -7.416 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.746 -8.837 -0.571 1.00 0.00 H new ATOM 381 N SER A 27 -1.902 -10.620 3.055 1.00 0.00 N ATOM 382 CA SER A 27 -1.756 -10.545 4.512 1.00 0.00 C ATOM 383 C SER A 27 -1.058 -9.246 4.923 1.00 0.00 C ATOM 384 O SER A 27 -0.718 -8.417 4.075 1.00 0.00 O ATOM 385 CB SER A 27 -0.898 -11.731 4.960 1.00 0.00 C ATOM 386 OG SER A 27 0.414 -11.575 4.434 1.00 0.00 O ATOM 0 H SER A 27 -1.158 -11.155 2.607 1.00 0.00 H new ATOM 0 HA SER A 27 -2.742 -10.569 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.864 -11.782 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.336 -12.666 4.610 1.00 0.00 H new ATOM 0 HG SER A 27 1.061 -11.990 5.041 1.00 0.00 H new ATOM 392 N LYS A 28 -0.754 -9.103 6.219 1.00 0.00 N ATOM 393 CA LYS A 28 0.114 -8.047 6.780 1.00 0.00 C ATOM 394 C LYS A 28 1.431 -7.936 5.993 1.00 0.00 C ATOM 395 O LYS A 28 1.849 -6.847 5.572 1.00 0.00 O ATOM 396 CB LYS A 28 0.357 -8.377 8.272 1.00 0.00 C ATOM 397 CG LYS A 28 0.417 -7.128 9.161 1.00 0.00 C ATOM 398 CD LYS A 28 0.789 -7.487 10.607 1.00 0.00 C ATOM 399 CE LYS A 28 0.734 -6.245 11.507 1.00 0.00 C ATOM 400 NZ LYS A 28 1.155 -6.567 12.896 1.00 0.00 N ATOM 0 H LYS A 28 -1.114 -9.736 6.933 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.370 -7.074 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.439 -9.031 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.291 -8.930 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.149 -6.428 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.549 -6.623 9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.105 -8.247 10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.790 -7.917 10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.381 -5.468 11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.279 -5.844 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.813 -5.828 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.754 -7.485 13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.193 -6.614 12.942 1.00 0.00 H new ATOM 414 N GLU A 29 2.038 -9.096 5.738 1.00 0.00 N ATOM 415 CA GLU A 29 3.339 -9.190 5.081 1.00 0.00 C ATOM 416 C GLU A 29 3.222 -9.004 3.564 1.00 0.00 C ATOM 417 O GLU A 29 4.072 -8.361 2.943 1.00 0.00 O ATOM 418 CB GLU A 29 4.038 -10.510 5.428 1.00 0.00 C ATOM 419 CG GLU A 29 4.376 -10.614 6.922 1.00 0.00 C ATOM 420 CD GLU A 29 5.217 -11.871 7.217 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.457 -11.836 7.022 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.650 -12.899 7.660 1.00 0.00 O ATOM 0 H GLU A 29 1.637 -10.001 5.984 1.00 0.00 H new ATOM 0 HA GLU A 29 3.956 -8.375 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.396 -11.344 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.954 -10.599 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.923 -9.725 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.455 -10.644 7.505 1.00 0.00 H new ATOM 429 N GLY A 30 2.131 -9.483 2.956 1.00 0.00 N ATOM 430 CA GLY A 30 1.836 -9.176 1.571 1.00 0.00 C ATOM 431 C GLY A 30 1.637 -7.675 1.348 1.00 0.00 C ATOM 432 O GLY A 30 2.273 -7.111 0.459 1.00 0.00 O ATOM 0 H GLY A 30 1.444 -10.084 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.650 -9.532 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.937 -9.711 1.264 1.00 0.00 H new ATOM 436 N ALA A 31 0.828 -6.998 2.173 1.00 0.00 N ATOM 437 CA ALA A 31 0.594 -5.564 2.029 1.00 0.00 C ATOM 438 C ALA A 31 1.913 -4.787 2.162 1.00 0.00 C ATOM 439 O ALA A 31 2.219 -3.916 1.333 1.00 0.00 O ATOM 440 CB ALA A 31 -0.442 -5.094 3.064 1.00 0.00 C ATOM 0 H ALA A 31 0.324 -7.427 2.949 1.00 0.00 H new ATOM 0 HA ALA A 31 0.194 -5.366 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.611 -4.023 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.380 -5.628 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.071 -5.298 4.068 1.00 0.00 H new ATOM 446 N GLU A 32 2.735 -5.136 3.166 1.00 0.00 N ATOM 447 CA GLU A 32 4.030 -4.442 3.275 1.00 0.00 C ATOM 448 C GLU A 32 4.964 -4.748 2.085 1.00 0.00 C ATOM 449 O GLU A 32 5.732 -3.879 1.664 1.00 0.00 O ATOM 450 CB GLU A 32 4.720 -4.620 4.625 1.00 0.00 C ATOM 451 CG GLU A 32 5.491 -5.926 4.779 1.00 0.00 C ATOM 452 CD GLU A 32 6.237 -5.986 6.128 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.583 -6.145 7.186 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.488 -5.872 6.135 1.00 0.00 O ATOM 0 H GLU A 32 2.546 -5.847 3.872 1.00 0.00 H new ATOM 0 HA GLU A 32 3.789 -3.380 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.407 -3.788 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.968 -4.563 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.802 -6.767 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.206 -6.027 3.962 1.00 0.00 H new ATOM 461 N GLN A 33 4.883 -5.950 1.491 1.00 0.00 N ATOM 462 CA GLN A 33 5.632 -6.251 0.266 1.00 0.00 C ATOM 463 C GLN A 33 5.163 -5.394 -0.913 1.00 0.00 C ATOM 464 O GLN A 33 6.006 -4.892 -1.657 1.00 0.00 O ATOM 465 CB GLN A 33 5.607 -7.755 -0.053 1.00 0.00 C ATOM 466 CG GLN A 33 6.583 -8.132 -1.187 1.00 0.00 C ATOM 467 CD GLN A 33 8.049 -7.841 -0.856 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.543 -8.128 0.228 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.816 -7.273 -1.761 1.00 0.00 N ATOM 0 H GLN A 33 4.311 -6.721 1.837 1.00 0.00 H new ATOM 0 HA GLN A 33 6.674 -5.984 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.862 -8.318 0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.596 -8.047 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.474 -9.193 -1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.307 -7.585 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.431 -7.023 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.796 -7.082 -1.552 1.00 0.00 H new ATOM 478 N ILE A 34 3.858 -5.119 -1.041 1.00 0.00 N ATOM 479 CA ILE A 34 3.381 -4.150 -2.047 1.00 0.00 C ATOM 480 C ILE A 34 4.012 -2.791 -1.779 1.00 0.00 C ATOM 481 O ILE A 34 4.520 -2.182 -2.711 1.00 0.00 O ATOM 482 CB ILE A 34 1.854 -3.980 -2.121 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.172 -5.325 -2.396 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.545 -2.986 -3.267 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.350 -5.234 -2.223 1.00 0.00 C ATOM 0 H ILE A 34 3.123 -5.542 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 34 3.684 -4.562 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 34 1.475 -3.603 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.404 -5.651 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.571 -6.081 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.467 -2.844 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.023 -2.029 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.927 -3.384 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.798 -6.207 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.583 -4.934 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.752 -4.497 -2.918 1.00 0.00 H new ATOM 497 N ILE A 35 4.030 -2.308 -0.535 1.00 0.00 N ATOM 498 CA ILE A 35 4.691 -1.017 -0.261 1.00 0.00 C ATOM 499 C ILE A 35 6.185 -1.018 -0.560 1.00 0.00 C ATOM 500 O ILE A 35 6.724 0.011 -0.967 1.00 0.00 O ATOM 501 CB ILE A 35 4.341 -0.496 1.138 1.00 0.00 C ATOM 502 CG1 ILE A 35 3.638 0.870 1.003 1.00 0.00 C ATOM 503 CG2 ILE A 35 5.501 -0.428 2.153 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.566 2.002 0.558 1.00 0.00 C ATOM 0 H ILE A 35 3.613 -2.766 0.276 1.00 0.00 H new ATOM 0 HA ILE A 35 4.283 -0.299 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 35 3.677 -1.244 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.822 0.779 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.192 1.135 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.131 -0.045 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.915 -1.426 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.279 0.235 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.999 2.930 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.368 2.122 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.993 1.761 -0.416 1.00 0.00 H new ATOM 516 N SER A 36 6.842 -2.167 -0.429 1.00 0.00 N ATOM 517 CA SER A 36 8.206 -2.326 -0.918 1.00 0.00 C ATOM 518 C SER A 36 8.254 -2.132 -2.441 1.00 0.00 C ATOM 519 O SER A 36 9.082 -1.359 -2.921 1.00 0.00 O ATOM 520 CB SER A 36 8.789 -3.677 -0.493 1.00 0.00 C ATOM 521 OG SER A 36 10.200 -3.664 -0.642 1.00 0.00 O ATOM 0 H SER A 36 6.452 -3.000 0.011 1.00 0.00 H new ATOM 0 HA SER A 36 8.830 -1.555 -0.467 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.526 -3.886 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.358 -4.475 -1.098 1.00 0.00 H new ATOM 0 HG SER A 36 10.566 -4.530 -0.367 1.00 0.00 H new ATOM 527 N GLU A 37 7.304 -2.705 -3.199 1.00 0.00 N ATOM 528 CA GLU A 37 7.206 -2.502 -4.656 1.00 0.00 C ATOM 529 C GLU A 37 6.862 -1.047 -5.025 1.00 0.00 C ATOM 530 O GLU A 37 7.506 -0.471 -5.906 1.00 0.00 O ATOM 531 CB GLU A 37 6.184 -3.441 -5.331 1.00 0.00 C ATOM 532 CG GLU A 37 6.320 -4.949 -5.071 1.00 0.00 C ATOM 533 CD GLU A 37 7.757 -5.493 -5.196 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.460 -5.156 -6.178 1.00 0.00 O ATOM 535 OE2 GLU A 37 8.171 -6.300 -4.328 1.00 0.00 O ATOM 0 H GLU A 37 6.584 -3.321 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 37 8.200 -2.743 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.187 -3.135 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.240 -3.280 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.948 -5.167 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.680 -5.485 -5.772 1.00 0.00 H new ATOM 542 N ILE A 38 5.892 -0.418 -4.345 1.00 0.00 N ATOM 543 CA ILE A 38 5.472 0.962 -4.614 1.00 0.00 C ATOM 544 C ILE A 38 6.646 1.937 -4.370 1.00 0.00 C ATOM 545 O ILE A 38 7.050 2.701 -5.256 1.00 0.00 O ATOM 546 CB ILE A 38 4.227 1.250 -3.738 1.00 0.00 C ATOM 547 CG1 ILE A 38 2.984 0.472 -4.223 1.00 0.00 C ATOM 548 CG2 ILE A 38 3.872 2.729 -3.741 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.760 0.640 -3.305 1.00 0.00 C ATOM 0 H ILE A 38 5.373 -0.859 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 38 5.193 1.104 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 38 4.495 0.927 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.724 0.807 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.233 -0.587 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.994 2.894 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.710 3.305 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.657 3.050 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.924 0.067 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.002 0.278 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.486 1.694 -3.253 1.00 0.00 H new ATOM 561 N GLN A 39 7.253 1.874 -3.182 1.00 0.00 N ATOM 562 CA GLN A 39 8.428 2.686 -2.867 1.00 0.00 C ATOM 563 C GLN A 39 9.588 2.389 -3.837 1.00 0.00 C ATOM 564 O GLN A 39 10.302 3.307 -4.236 1.00 0.00 O ATOM 565 CB GLN A 39 8.857 2.441 -1.417 1.00 0.00 C ATOM 566 CG GLN A 39 7.984 3.126 -0.349 1.00 0.00 C ATOM 567 CD GLN A 39 8.642 2.992 1.018 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.344 3.877 1.487 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.506 1.861 1.674 1.00 0.00 N ATOM 0 H GLN A 39 6.948 1.267 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 39 8.162 3.737 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.854 1.367 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.885 2.783 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.850 4.179 -0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.992 2.674 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.923 1.117 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.984 1.728 2.565 1.00 0.00 H new ATOM 578 N ASN A 40 9.713 1.144 -4.312 1.00 0.00 N ATOM 579 CA ASN A 40 10.621 0.793 -5.417 1.00 0.00 C ATOM 580 C ASN A 40 10.289 1.534 -6.727 1.00 0.00 C ATOM 581 O ASN A 40 11.221 1.961 -7.406 1.00 0.00 O ATOM 582 CB ASN A 40 10.697 -0.738 -5.606 1.00 0.00 C ATOM 583 CG ASN A 40 10.774 -1.181 -7.060 1.00 0.00 C ATOM 584 OD1 ASN A 40 11.836 -1.276 -7.652 1.00 0.00 O ATOM 585 ND2 ASN A 40 9.644 -1.420 -7.684 1.00 0.00 N ATOM 0 H ASN A 40 9.189 0.350 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 40 11.615 1.139 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.571 -1.116 -5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.822 -1.194 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.652 -1.687 -8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.758 -1.339 -7.184 1.00 0.00 H new ATOM 592 N GLN A 41 9.012 1.736 -7.080 1.00 0.00 N ATOM 593 CA GLN A 41 8.637 2.510 -8.269 1.00 0.00 C ATOM 594 C GLN A 41 9.013 3.988 -8.109 1.00 0.00 C ATOM 595 O GLN A 41 9.484 4.596 -9.072 1.00 0.00 O ATOM 596 CB GLN A 41 7.140 2.369 -8.595 1.00 0.00 C ATOM 597 CG GLN A 41 6.756 0.935 -8.988 1.00 0.00 C ATOM 598 CD GLN A 41 5.320 0.792 -9.497 1.00 0.00 C ATOM 599 OE1 GLN A 41 4.519 1.719 -9.523 1.00 0.00 O ATOM 600 NE2 GLN A 41 4.928 -0.391 -9.922 1.00 0.00 N ATOM 0 H GLN A 41 8.218 1.371 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 41 9.200 2.099 -9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.553 2.675 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.883 3.047 -9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.441 0.585 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.891 0.284 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.577 -1.178 -9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.976 -0.520 -10.263 1.00 0.00 H new ATOM 609 N LEU A 42 8.897 4.552 -6.896 1.00 0.00 N ATOM 610 CA LEU A 42 9.407 5.919 -6.648 1.00 0.00 C ATOM 611 C LEU A 42 10.950 6.013 -6.605 1.00 0.00 C ATOM 612 O LEU A 42 11.521 7.019 -7.026 1.00 0.00 O ATOM 613 CB LEU A 42 8.725 6.500 -5.400 1.00 0.00 C ATOM 614 CG LEU A 42 8.925 8.027 -5.209 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.695 8.645 -4.553 1.00 0.00 C ATOM 616 CD2 LEU A 42 10.122 8.318 -4.297 1.00 0.00 C ATOM 0 H LEU A 42 8.467 4.101 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 42 9.140 6.537 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.657 6.290 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.107 5.983 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 42 9.094 8.453 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.850 9.716 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.823 8.477 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.532 8.184 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.238 9.396 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.954 7.864 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.027 7.901 -4.740 1.00 0.00 H new ATOM 628 N GLN A 43 11.632 4.956 -6.158 1.00 0.00 N ATOM 629 CA GLN A 43 13.104 4.876 -6.124 1.00 0.00 C ATOM 630 C GLN A 43 13.737 4.481 -7.475 1.00 0.00 C ATOM 631 O GLN A 43 14.934 4.699 -7.673 1.00 0.00 O ATOM 632 CB GLN A 43 13.534 3.894 -5.020 1.00 0.00 C ATOM 633 CG GLN A 43 13.349 4.482 -3.612 1.00 0.00 C ATOM 634 CD GLN A 43 13.650 3.465 -2.513 1.00 0.00 C ATOM 635 OE1 GLN A 43 12.787 3.064 -1.744 1.00 0.00 O ATOM 636 NE2 GLN A 43 14.885 3.031 -2.365 1.00 0.00 N ATOM 0 H GLN A 43 11.175 4.116 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 43 13.473 5.879 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.953 2.976 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.580 3.624 -5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.003 5.346 -3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.325 4.840 -3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.618 3.354 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.108 2.372 -1.619 1.00 0.00 H new ATOM 645 N ASN A 44 12.960 3.885 -8.390 1.00 0.00 N ATOM 646 CA ASN A 44 13.439 3.162 -9.579 1.00 0.00 C ATOM 647 C ASN A 44 14.487 2.085 -9.193 1.00 0.00 C ATOM 648 O ASN A 44 15.559 1.980 -9.795 1.00 0.00 O ATOM 649 CB ASN A 44 13.859 4.179 -10.667 1.00 0.00 C ATOM 650 CG ASN A 44 13.831 3.610 -12.081 1.00 0.00 C ATOM 651 OD1 ASN A 44 13.067 4.042 -12.934 1.00 0.00 O ATOM 652 ND2 ASN A 44 14.637 2.619 -12.381 1.00 0.00 N ATOM 0 H ASN A 44 11.942 3.893 -8.321 1.00 0.00 H new ATOM 0 HA ASN A 44 12.639 2.577 -10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.196 5.043 -10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.865 4.537 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.623 2.216 -13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.278 2.252 -11.677 1.00 0.00 H new ATOM 659 N LEU A 45 14.199 1.325 -8.127 1.00 0.00 N ATOM 660 CA LEU A 45 15.176 0.467 -7.441 1.00 0.00 C ATOM 661 C LEU A 45 15.524 -0.813 -8.229 1.00 0.00 C ATOM 662 O LEU A 45 16.700 -1.185 -8.297 1.00 0.00 O ATOM 663 CB LEU A 45 14.640 0.161 -6.027 1.00 0.00 C ATOM 664 CG LEU A 45 15.560 -0.699 -5.141 1.00 0.00 C ATOM 665 CD1 LEU A 45 16.897 -0.012 -4.849 1.00 0.00 C ATOM 666 CD2 LEU A 45 14.864 -0.972 -3.807 1.00 0.00 C ATOM 0 H LEU A 45 13.268 1.288 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 45 16.123 1.002 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.452 1.105 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.680 -0.346 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 45 15.760 -1.622 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.509 -0.659 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.418 0.183 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.717 0.930 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.512 -1.581 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.654 -0.027 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.929 -1.503 -3.986 1.00 0.00 H new ATOM 678 N LYS A 46 14.523 -1.472 -8.827 1.00 0.00 N ATOM 679 CA LYS A 46 14.651 -2.715 -9.614 1.00 0.00 C ATOM 680 C LYS A 46 14.367 -2.496 -11.107 1.00 0.00 C ATOM 681 O LYS A 46 13.357 -1.841 -11.451 1.00 0.00 O ATOM 682 CB LYS A 46 13.744 -3.812 -9.019 1.00 0.00 C ATOM 683 CG LYS A 46 14.010 -4.160 -7.540 1.00 0.00 C ATOM 684 CD LYS A 46 15.444 -4.610 -7.212 1.00 0.00 C ATOM 685 CE LYS A 46 15.859 -5.853 -8.011 1.00 0.00 C ATOM 686 NZ LYS A 46 17.228 -6.306 -7.648 1.00 0.00 N ATOM 687 OXT LYS A 46 15.167 -2.990 -11.933 1.00 0.00 O ATOM 0 H LYS A 46 13.559 -1.143 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 46 15.688 -3.045 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.706 -3.495 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.860 -4.718 -9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.774 -3.287 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.323 -4.952 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.136 -3.795 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.521 -4.823 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.148 -6.658 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.820 -5.631 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.475 -7.147 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.909 -5.546 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.259 -6.542 -6.636 1.00 0.00 H new TER 701 LYS A 46 ATOM 702 N MET B 1 -3.315 -21.906 -4.487 1.00 0.00 N ATOM 703 CA MET B 1 -3.922 -20.985 -3.488 1.00 0.00 C ATOM 704 C MET B 1 -5.388 -21.350 -3.236 1.00 0.00 C ATOM 705 O MET B 1 -6.088 -21.768 -4.161 1.00 0.00 O ATOM 706 CB MET B 1 -3.808 -19.501 -3.908 1.00 0.00 C ATOM 707 CG MET B 1 -2.371 -18.957 -3.880 1.00 0.00 C ATOM 708 SD MET B 1 -1.511 -19.136 -2.291 1.00 0.00 S ATOM 709 CE MET B 1 0.041 -18.278 -2.672 1.00 0.00 C ATOM 0 H1 MET B 1 -2.783 -22.651 -3.994 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.066 -22.339 -5.061 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.671 -21.372 -5.105 1.00 0.00 H new ATOM 0 HA MET B 1 -3.357 -21.107 -2.564 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.211 -19.386 -4.914 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.428 -18.897 -3.246 1.00 0.00 H new ATOM 0 HG2 MET B 1 -1.791 -19.467 -4.649 1.00 0.00 H new ATOM 0 HG3 MET B 1 -2.394 -17.900 -4.146 1.00 0.00 H new ATOM 0 HE1 MET B 1 0.246 -17.537 -1.899 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.857 -19.000 -2.708 1.00 0.00 H new ATOM 0 HE3 MET B 1 -0.046 -17.781 -3.638 1.00 0.00 H new ATOM 721 N ASN B 2 -5.864 -21.193 -1.995 1.00 0.00 N ATOM 722 CA ASN B 2 -7.256 -21.436 -1.581 1.00 0.00 C ATOM 723 C ASN B 2 -7.673 -20.457 -0.457 1.00 0.00 C ATOM 724 O ASN B 2 -6.817 -19.977 0.290 1.00 0.00 O ATOM 725 CB ASN B 2 -7.385 -22.910 -1.139 1.00 0.00 C ATOM 726 CG ASN B 2 -8.821 -23.401 -1.007 1.00 0.00 C ATOM 727 OD1 ASN B 2 -9.780 -22.758 -1.410 1.00 0.00 O ATOM 728 ND2 ASN B 2 -9.017 -24.570 -0.441 1.00 0.00 N ATOM 0 H ASN B 2 -5.273 -20.883 -1.224 1.00 0.00 H new ATOM 0 HA ASN B 2 -7.933 -21.257 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -6.863 -23.540 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -6.881 -23.035 -0.181 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -9.964 -24.935 -0.340 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.222 -25.112 -0.102 1.00 0.00 H new ATOM 735 N CYS B 3 -8.978 -20.186 -0.326 1.00 0.00 N ATOM 736 CA CYS B 3 -9.566 -19.165 0.563 1.00 0.00 C ATOM 737 C CYS B 3 -8.987 -17.745 0.329 1.00 0.00 C ATOM 738 O CYS B 3 -8.282 -17.496 -0.654 1.00 0.00 O ATOM 739 CB CYS B 3 -9.467 -19.651 2.027 1.00 0.00 C ATOM 740 SG CYS B 3 -10.364 -21.219 2.239 1.00 0.00 S ATOM 0 H CYS B 3 -9.687 -20.692 -0.858 1.00 0.00 H new ATOM 0 HA CYS B 3 -10.622 -19.050 0.318 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -8.421 -19.784 2.303 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -9.880 -18.896 2.696 1.00 0.00 H new ATOM 0 HG CYS B 3 -10.267 -21.611 3.475 1.00 0.00 H new ATOM 746 N MET B 4 -9.293 -16.786 1.214 1.00 0.00 N ATOM 747 CA MET B 4 -8.673 -15.451 1.201 1.00 0.00 C ATOM 748 C MET B 4 -7.267 -15.487 1.811 1.00 0.00 C ATOM 749 O MET B 4 -7.044 -15.194 2.986 1.00 0.00 O ATOM 750 CB MET B 4 -9.573 -14.406 1.861 1.00 0.00 C ATOM 751 CG MET B 4 -10.646 -13.958 0.865 1.00 0.00 C ATOM 752 SD MET B 4 -11.703 -12.602 1.434 1.00 0.00 S ATOM 753 CE MET B 4 -12.701 -12.353 -0.059 1.00 0.00 C ATOM 0 H MET B 4 -9.977 -16.913 1.960 1.00 0.00 H new ATOM 0 HA MET B 4 -8.558 -15.145 0.161 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.040 -14.824 2.753 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.980 -13.550 2.183 1.00 0.00 H new ATOM 0 HG2 MET B 4 -10.157 -13.653 -0.060 1.00 0.00 H new ATOM 0 HG3 MET B 4 -11.277 -14.814 0.625 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.415 -11.547 0.111 1.00 0.00 H new ATOM 0 HE2 MET B 4 -12.049 -12.092 -0.893 1.00 0.00 H new ATOM 0 HE3 MET B 4 -13.240 -13.271 -0.294 1.00 0.00 H new ATOM 763 N THR B 5 -6.324 -15.865 0.957 1.00 0.00 N ATOM 764 CA THR B 5 -4.893 -16.033 1.236 1.00 0.00 C ATOM 765 C THR B 5 -4.061 -15.008 0.486 1.00 0.00 C ATOM 766 O THR B 5 -4.454 -14.526 -0.580 1.00 0.00 O ATOM 767 CB THR B 5 -4.416 -17.458 0.907 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.078 -17.615 1.311 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.480 -17.807 -0.583 1.00 0.00 C ATOM 0 H THR B 5 -6.548 -16.078 -0.015 1.00 0.00 H new ATOM 0 HA THR B 5 -4.754 -15.870 2.305 1.00 0.00 H new ATOM 0 HB THR B 5 -5.095 -18.123 1.441 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.778 -18.524 1.102 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.127 -18.827 -0.733 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.509 -17.724 -0.932 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.849 -17.119 -1.145 1.00 0.00 H new ATOM 777 N CYS B 6 -2.896 -14.684 1.037 1.00 0.00 N ATOM 778 CA CYS B 6 -1.955 -13.779 0.390 1.00 0.00 C ATOM 779 C CYS B 6 -1.373 -14.369 -0.902 1.00 0.00 C ATOM 780 O CYS B 6 -0.678 -15.381 -0.867 1.00 0.00 O ATOM 781 CB CYS B 6 -0.861 -13.374 1.379 1.00 0.00 C ATOM 782 SG CYS B 6 0.206 -12.144 0.595 1.00 0.00 S ATOM 0 H CYS B 6 -2.579 -15.039 1.939 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.498 -12.883 0.089 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.305 -12.965 2.286 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.278 -14.246 1.675 1.00 0.00 H new ATOM 0 HG CYS B 6 1.062 -11.695 1.464 1.00 0.00 H new ATOM 788 N GLN B 7 -1.560 -13.704 -2.045 1.00 0.00 N ATOM 789 CA GLN B 7 -0.952 -14.151 -3.310 1.00 0.00 C ATOM 790 C GLN B 7 0.585 -13.959 -3.351 1.00 0.00 C ATOM 791 O GLN B 7 1.270 -14.661 -4.097 1.00 0.00 O ATOM 792 CB GLN B 7 -1.682 -13.455 -4.472 1.00 0.00 C ATOM 793 CG GLN B 7 -1.198 -13.847 -5.881 1.00 0.00 C ATOM 794 CD GLN B 7 -1.375 -15.332 -6.200 1.00 0.00 C ATOM 795 OE1 GLN B 7 -2.395 -15.771 -6.715 1.00 0.00 O ATOM 796 NE2 GLN B 7 -0.397 -16.162 -5.904 1.00 0.00 N ATOM 0 H GLN B 7 -2.124 -12.858 -2.125 1.00 0.00 H new ATOM 0 HA GLN B 7 -1.080 -15.229 -3.405 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.746 -13.677 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.572 -12.377 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -1.742 -13.258 -6.619 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -0.144 -13.586 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN B 7 0.459 -15.810 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -0.495 -17.157 -6.104 1.00 0.00 H new ATOM 805 N VAL B 8 1.138 -13.046 -2.542 1.00 0.00 N ATOM 806 CA VAL B 8 2.572 -12.666 -2.544 1.00 0.00 C ATOM 807 C VAL B 8 3.400 -13.404 -1.472 1.00 0.00 C ATOM 808 O VAL B 8 4.618 -13.532 -1.612 1.00 0.00 O ATOM 809 CB VAL B 8 2.691 -11.129 -2.419 1.00 0.00 C ATOM 810 CG1 VAL B 8 4.132 -10.607 -2.419 1.00 0.00 C ATOM 811 CG2 VAL B 8 1.972 -10.436 -3.589 1.00 0.00 C ATOM 0 H VAL B 8 0.594 -12.534 -1.848 1.00 0.00 H new ATOM 0 HA VAL B 8 3.003 -12.983 -3.494 1.00 0.00 H new ATOM 0 HB VAL B 8 2.238 -10.897 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.126 -9.521 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.675 -11.038 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.622 -10.890 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.066 -9.355 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.423 -10.750 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.917 -10.711 -3.582 1.00 0.00 H new ATOM 821 N THR B 9 2.752 -13.928 -0.425 1.00 0.00 N ATOM 822 CA THR B 9 3.409 -14.608 0.719 1.00 0.00 C ATOM 823 C THR B 9 2.786 -15.964 1.063 1.00 0.00 C ATOM 824 O THR B 9 3.490 -16.880 1.491 1.00 0.00 O ATOM 825 CB THR B 9 3.418 -13.735 1.985 1.00 0.00 C ATOM 826 OG1 THR B 9 2.118 -13.640 2.522 1.00 0.00 O ATOM 827 CG2 THR B 9 3.909 -12.308 1.738 1.00 0.00 C ATOM 0 H THR B 9 1.736 -13.895 -0.339 1.00 0.00 H new ATOM 0 HA THR B 9 4.432 -14.778 0.383 1.00 0.00 H new ATOM 0 HB THR B 9 4.108 -14.227 2.671 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.487 -13.401 1.811 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.889 -11.749 2.674 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.929 -12.335 1.354 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.260 -11.821 1.010 1.00 0.00 H new ATOM 835 N GLY B 10 1.474 -16.102 0.852 1.00 0.00 N ATOM 836 CA GLY B 10 0.700 -17.315 1.155 1.00 0.00 C ATOM 837 C GLY B 10 0.060 -17.323 2.549 1.00 0.00 C ATOM 838 O GLY B 10 -0.512 -18.336 2.955 1.00 0.00 O ATOM 0 H GLY B 10 0.903 -15.355 0.455 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.085 -17.428 0.407 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.354 -18.182 1.063 1.00 0.00 H new ATOM 842 N GLU B 11 0.154 -16.219 3.296 1.00 0.00 N ATOM 843 CA GLU B 11 -0.490 -16.054 4.603 1.00 0.00 C ATOM 844 C GLU B 11 -1.953 -15.607 4.501 1.00 0.00 C ATOM 845 O GLU B 11 -2.328 -14.761 3.699 1.00 0.00 O ATOM 846 CB GLU B 11 0.309 -15.071 5.466 1.00 0.00 C ATOM 847 CG GLU B 11 1.568 -15.717 6.045 1.00 0.00 C ATOM 848 CD GLU B 11 1.248 -16.731 7.162 1.00 0.00 C ATOM 849 OE1 GLU B 11 0.990 -16.313 8.317 1.00 0.00 O ATOM 850 OE2 GLU B 11 1.248 -17.957 6.894 1.00 0.00 O ATOM 0 H GLU B 11 0.689 -15.401 3.005 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.497 -17.036 5.076 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.588 -14.205 4.866 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.319 -14.707 6.279 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.115 -16.220 5.247 1.00 0.00 H new ATOM 0 HG3 GLU B 11 2.223 -14.940 6.440 1.00 0.00 H new ATOM 857 N VAL B 12 -2.782 -16.149 5.380 1.00 0.00 N ATOM 858 CA VAL B 12 -4.215 -15.829 5.513 1.00 0.00 C ATOM 859 C VAL B 12 -4.426 -15.007 6.789 1.00 0.00 C ATOM 860 O VAL B 12 -4.026 -15.446 7.872 1.00 0.00 O ATOM 861 CB VAL B 12 -5.011 -17.146 5.546 1.00 0.00 C ATOM 862 CG1 VAL B 12 -6.440 -17.022 6.094 1.00 0.00 C ATOM 863 CG2 VAL B 12 -5.089 -17.867 4.204 1.00 0.00 C ATOM 0 H VAL B 12 -2.474 -16.852 6.051 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.566 -15.236 4.668 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.417 -17.739 6.242 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.922 -18.000 6.078 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -6.406 -16.650 7.118 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -7.008 -16.328 5.475 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.667 -18.784 4.317 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.573 -17.221 3.471 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.083 -18.112 3.863 1.00 0.00 H new ATOM 873 N SER B 13 -5.084 -13.846 6.687 1.00 0.00 N ATOM 874 CA SER B 13 -5.527 -13.048 7.834 1.00 0.00 C ATOM 875 C SER B 13 -6.975 -12.619 7.604 1.00 0.00 C ATOM 876 O SER B 13 -7.287 -12.066 6.549 1.00 0.00 O ATOM 877 CB SER B 13 -4.629 -11.817 8.008 1.00 0.00 C ATOM 878 OG SER B 13 -3.253 -12.169 8.055 1.00 0.00 O ATOM 0 H SER B 13 -5.327 -13.428 5.789 1.00 0.00 H new ATOM 0 HA SER B 13 -5.460 -13.646 8.743 1.00 0.00 H new ATOM 0 HB2 SER B 13 -4.799 -11.124 7.184 1.00 0.00 H new ATOM 0 HB3 SER B 13 -4.902 -11.295 8.925 1.00 0.00 H new ATOM 0 HG SER B 13 -2.833 -11.745 8.833 1.00 0.00 H new ATOM 884 N ASP B 14 -7.865 -12.868 8.568 1.00 0.00 N ATOM 885 CA ASP B 14 -9.325 -12.705 8.426 1.00 0.00 C ATOM 886 C ASP B 14 -9.791 -11.253 8.190 1.00 0.00 C ATOM 887 O ASP B 14 -10.912 -11.014 7.742 1.00 0.00 O ATOM 888 CB ASP B 14 -10.042 -13.296 9.653 1.00 0.00 C ATOM 889 CG ASP B 14 -9.540 -14.698 10.038 1.00 0.00 C ATOM 890 OD1 ASP B 14 -8.503 -14.798 10.738 1.00 0.00 O ATOM 891 OD2 ASP B 14 -10.182 -15.701 9.645 1.00 0.00 O ATOM 0 H ASP B 14 -7.590 -13.197 9.494 1.00 0.00 H new ATOM 0 HA ASP B 14 -9.595 -13.250 7.522 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -9.908 -12.625 10.501 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -11.112 -13.344 9.451 1.00 0.00 H new ATOM 896 N ASP B 15 -8.921 -10.279 8.460 1.00 0.00 N ATOM 897 CA ASP B 15 -9.109 -8.848 8.211 1.00 0.00 C ATOM 898 C ASP B 15 -8.817 -8.437 6.748 1.00 0.00 C ATOM 899 O ASP B 15 -9.103 -7.306 6.356 1.00 0.00 O ATOM 900 CB ASP B 15 -8.227 -8.072 9.198 1.00 0.00 C ATOM 901 CG ASP B 15 -8.229 -8.675 10.616 1.00 0.00 C ATOM 902 OD1 ASP B 15 -9.103 -8.302 11.434 1.00 0.00 O ATOM 903 OD2 ASP B 15 -7.381 -9.560 10.891 1.00 0.00 O ATOM 0 H ASP B 15 -8.014 -10.478 8.882 1.00 0.00 H new ATOM 0 HA ASP B 15 -10.160 -8.606 8.367 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.204 -8.049 8.821 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.571 -7.039 9.249 1.00 0.00 H new ATOM 908 N ASN B 16 -8.270 -9.366 5.949 1.00 0.00 N ATOM 909 CA ASN B 16 -8.080 -9.331 4.491 1.00 0.00 C ATOM 910 C ASN B 16 -7.551 -7.989 3.922 1.00 0.00 C ATOM 911 O ASN B 16 -8.337 -7.192 3.396 1.00 0.00 O ATOM 912 CB ASN B 16 -9.399 -9.757 3.799 1.00 0.00 C ATOM 913 CG ASN B 16 -10.083 -11.024 4.302 1.00 0.00 C ATOM 914 OD1 ASN B 16 -11.297 -11.068 4.442 1.00 0.00 O ATOM 915 ND2 ASN B 16 -9.372 -12.093 4.576 1.00 0.00 N ATOM 0 H ASN B 16 -7.918 -10.239 6.342 1.00 0.00 H new ATOM 0 HA ASN B 16 -7.281 -10.039 4.269 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -10.108 -8.934 3.891 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -9.195 -9.885 2.736 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -9.833 -12.943 4.900 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -8.358 -12.074 4.465 1.00 0.00 H new ATOM 922 N LEU B 17 -6.233 -7.735 3.958 1.00 0.00 N ATOM 923 CA LEU B 17 -5.627 -6.598 3.248 1.00 0.00 C ATOM 924 C LEU B 17 -5.678 -6.837 1.732 1.00 0.00 C ATOM 925 O LEU B 17 -5.780 -7.978 1.282 1.00 0.00 O ATOM 926 CB LEU B 17 -4.189 -6.329 3.751 1.00 0.00 C ATOM 927 CG LEU B 17 -4.069 -6.213 5.279 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.624 -5.961 5.686 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.973 -5.121 5.845 1.00 0.00 C ATOM 0 H LEU B 17 -5.564 -8.306 4.475 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.204 -5.699 3.462 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.539 -7.133 3.406 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.824 -5.407 3.298 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.398 -7.163 5.699 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.560 -5.882 6.771 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -2.001 -6.788 5.345 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.275 -5.033 5.233 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.855 -5.076 6.928 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.699 -4.160 5.409 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -6.012 -5.347 5.603 1.00 0.00 H new ATOM 941 N LYS B 18 -5.675 -5.768 0.930 1.00 0.00 N ATOM 942 CA LYS B 18 -5.946 -5.854 -0.521 1.00 0.00 C ATOM 943 C LYS B 18 -5.055 -4.943 -1.376 1.00 0.00 C ATOM 944 O LYS B 18 -4.599 -3.895 -0.919 1.00 0.00 O ATOM 945 CB LYS B 18 -7.441 -5.629 -0.815 1.00 0.00 C ATOM 946 CG LYS B 18 -8.377 -6.502 0.032 1.00 0.00 C ATOM 947 CD LYS B 18 -9.852 -6.317 -0.340 1.00 0.00 C ATOM 948 CE LYS B 18 -10.763 -7.104 0.614 1.00 0.00 C ATOM 949 NZ LYS B 18 -10.762 -6.548 1.997 1.00 0.00 N ATOM 0 H LYS B 18 -5.487 -4.821 1.259 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.683 -6.869 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.682 -4.580 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.628 -5.829 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -8.103 -7.550 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.239 -6.260 1.086 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.110 -5.259 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -10.017 -6.651 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.781 -7.099 0.225 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.439 -8.144 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -11.565 -6.940 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -9.873 -6.803 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -10.847 -5.512 1.955 1.00 0.00 H new ATOM 963 N LEU B 19 -4.800 -5.367 -2.619 1.00 0.00 N ATOM 964 CA LEU B 19 -3.831 -4.766 -3.544 1.00 0.00 C ATOM 965 C LEU B 19 -4.257 -3.384 -4.071 1.00 0.00 C ATOM 966 O LEU B 19 -5.437 -3.026 -4.076 1.00 0.00 O ATOM 967 CB LEU B 19 -3.500 -5.819 -4.627 1.00 0.00 C ATOM 968 CG LEU B 19 -2.210 -5.577 -5.448 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.502 -6.902 -5.727 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.514 -4.946 -6.809 1.00 0.00 C ATOM 0 H LEU B 19 -5.282 -6.170 -3.024 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.909 -4.520 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.420 -6.793 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.340 -5.874 -5.319 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.587 -4.907 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.597 -6.716 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.238 -7.379 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -2.165 -7.557 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.583 -4.792 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.164 -5.609 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -3.012 -3.987 -6.663 1.00 0.00 H new ATOM 982 N ALA B 20 -3.278 -2.589 -4.498 1.00 0.00 N ATOM 983 CA ALA B 20 -3.441 -1.157 -4.762 1.00 0.00 C ATOM 984 C ALA B 20 -4.219 -0.854 -6.063 1.00 0.00 C ATOM 985 O ALA B 20 -3.980 -1.482 -7.097 1.00 0.00 O ATOM 986 CB ALA B 20 -2.064 -0.483 -4.739 1.00 0.00 C ATOM 0 H ALA B 20 -2.331 -2.926 -4.674 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.061 -0.738 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.177 0.583 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.605 -0.625 -3.760 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.429 -0.927 -5.505 1.00 0.00 H new ATOM 992 N GLY B 21 -5.146 0.115 -6.018 1.00 0.00 N ATOM 993 CA GLY B 21 -6.001 0.495 -7.157 1.00 0.00 C ATOM 994 C GLY B 21 -5.512 1.752 -7.882 1.00 0.00 C ATOM 995 O GLY B 21 -5.341 1.747 -9.103 1.00 0.00 O ATOM 0 H GLY B 21 -5.327 0.665 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -6.042 -0.333 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -7.018 0.661 -6.801 1.00 0.00 H new ATOM 999 N GLY B 22 -5.252 2.811 -7.112 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.711 4.096 -7.561 1.00 0.00 C ATOM 1001 C GLY B 22 -5.676 5.262 -7.321 1.00 0.00 C ATOM 1002 O GLY B 22 -5.995 6.014 -8.244 1.00 0.00 O ATOM 0 H GLY B 22 -5.422 2.795 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -3.774 4.293 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.478 4.036 -8.624 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.195 5.369 -6.090 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.400 6.154 -5.757 1.00 0.00 C ATOM 1008 C LYS B 23 -7.148 7.653 -5.487 1.00 0.00 C ATOM 1009 O LYS B 23 -8.004 8.481 -5.796 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.122 5.415 -4.614 1.00 0.00 C ATOM 1011 CG LYS B 23 -9.483 6.037 -4.277 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.398 5.112 -3.460 1.00 0.00 C ATOM 1013 CE LYS B 23 -9.808 4.757 -2.090 1.00 0.00 C ATOM 1014 NZ LYS B 23 -10.711 3.864 -1.318 1.00 0.00 N ATOM 0 H LYS B 23 -5.784 4.905 -5.280 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.047 6.205 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -8.263 4.371 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -7.492 5.425 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.323 6.960 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -9.989 6.308 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.365 5.595 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.577 4.196 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.842 4.270 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.628 5.671 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.279 3.645 -0.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.624 4.339 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.863 2.982 -1.848 1.00 0.00 H new ATOM 1028 N LEU B 24 -5.973 8.004 -4.958 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.469 9.377 -4.757 1.00 0.00 C ATOM 1030 C LEU B 24 -3.931 9.371 -4.751 1.00 0.00 C ATOM 1031 O LEU B 24 -3.342 8.326 -4.481 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.023 9.943 -3.432 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.829 11.460 -3.223 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.481 12.308 -4.317 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.451 11.861 -1.888 1.00 0.00 C ATOM 0 H LEU B 24 -5.305 7.302 -4.638 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.806 10.015 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.089 9.720 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.547 9.416 -2.605 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.755 11.646 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.308 13.364 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.047 12.051 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.553 12.114 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.319 12.932 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.515 11.624 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -5.964 11.314 -1.081 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.275 10.505 -5.020 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.804 10.601 -5.100 1.00 0.00 C ATOM 1049 C VAL B 25 -1.153 10.887 -3.744 1.00 0.00 C ATOM 1050 O VAL B 25 -1.560 11.770 -2.987 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.355 11.649 -6.136 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.162 11.882 -6.113 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.732 11.184 -7.547 1.00 0.00 C ATOM 0 H VAL B 25 -3.749 11.392 -5.190 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.462 9.619 -5.427 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.859 12.579 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.427 12.629 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.461 12.235 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.677 10.947 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.411 11.930 -8.274 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.241 10.235 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.813 11.056 -7.611 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.111 10.105 -3.473 1.00 0.00 N ATOM 1064 CA LEU B 26 0.800 10.145 -2.336 1.00 0.00 C ATOM 1065 C LEU B 26 2.264 10.118 -2.818 1.00 0.00 C ATOM 1066 O LEU B 26 2.559 9.734 -3.948 1.00 0.00 O ATOM 1067 CB LEU B 26 0.454 9.023 -1.339 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.798 9.337 -0.485 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.126 8.948 -1.146 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.757 8.565 0.826 1.00 0.00 C ATOM 0 H LEU B 26 0.140 9.350 -4.112 1.00 0.00 H new ATOM 0 HA LEU B 26 0.679 11.084 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.290 8.095 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.305 8.856 -0.679 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.764 10.418 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.952 9.202 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.237 9.489 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.135 7.876 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.645 8.798 1.413 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.730 7.495 0.618 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.134 8.848 1.387 1.00 0.00 H new ATOM 1082 N SER B 27 3.207 10.554 -1.984 1.00 0.00 N ATOM 1083 CA SER B 27 4.648 10.370 -2.215 1.00 0.00 C ATOM 1084 C SER B 27 5.157 9.188 -1.391 1.00 0.00 C ATOM 1085 O SER B 27 4.356 8.492 -0.767 1.00 0.00 O ATOM 1086 CB SER B 27 5.373 11.670 -1.872 1.00 0.00 C ATOM 1087 OG SER B 27 6.717 11.615 -2.319 1.00 0.00 O ATOM 0 H SER B 27 2.995 11.051 -1.119 1.00 0.00 H new ATOM 0 HA SER B 27 4.844 10.140 -3.262 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.862 12.513 -2.337 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.347 11.836 -0.795 1.00 0.00 H new ATOM 0 HG SER B 27 7.213 12.380 -1.959 1.00 0.00 H new ATOM 1093 N LYS B 28 6.473 8.961 -1.349 1.00 0.00 N ATOM 1094 CA LYS B 28 7.130 7.857 -0.618 1.00 0.00 C ATOM 1095 C LYS B 28 6.609 7.738 0.814 1.00 0.00 C ATOM 1096 O LYS B 28 6.199 6.664 1.266 1.00 0.00 O ATOM 1097 CB LYS B 28 8.648 8.116 -0.632 1.00 0.00 C ATOM 1098 CG LYS B 28 9.447 6.824 -0.430 1.00 0.00 C ATOM 1099 CD LYS B 28 10.957 7.105 -0.451 1.00 0.00 C ATOM 1100 CE LYS B 28 11.765 5.814 -0.617 1.00 0.00 C ATOM 1101 NZ LYS B 28 11.789 4.984 0.617 1.00 0.00 N ATOM 0 H LYS B 28 7.140 9.558 -1.838 1.00 0.00 H new ATOM 0 HA LYS B 28 6.903 6.910 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.930 8.573 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.903 8.828 0.153 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.171 6.366 0.520 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.195 6.109 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.190 7.789 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.249 7.602 0.474 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.342 5.229 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.787 6.065 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.404 4.159 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 12.154 5.550 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.825 4.662 0.838 1.00 0.00 H new ATOM 1115 N GLU B 29 6.538 8.894 1.475 1.00 0.00 N ATOM 1116 CA GLU B 29 6.169 8.976 2.885 1.00 0.00 C ATOM 1117 C GLU B 29 4.657 8.794 3.069 1.00 0.00 C ATOM 1118 O GLU B 29 4.206 8.132 4.011 1.00 0.00 O ATOM 1119 CB GLU B 29 6.670 10.289 3.498 1.00 0.00 C ATOM 1120 CG GLU B 29 8.203 10.367 3.551 1.00 0.00 C ATOM 1121 CD GLU B 29 8.673 11.649 4.263 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.704 11.675 5.519 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.027 12.638 3.576 1.00 0.00 O ATOM 0 H GLU B 29 6.735 9.798 1.046 1.00 0.00 H new ATOM 0 HA GLU B 29 6.655 8.160 3.419 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.287 11.127 2.916 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.269 10.391 4.506 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.596 9.494 4.072 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.606 10.342 2.539 1.00 0.00 H new ATOM 1130 N GLY B 30 3.856 9.316 2.135 1.00 0.00 N ATOM 1131 CA GLY B 30 2.429 9.069 2.117 1.00 0.00 C ATOM 1132 C GLY B 30 2.108 7.586 1.902 1.00 0.00 C ATOM 1133 O GLY B 30 1.350 7.016 2.680 1.00 0.00 O ATOM 0 H GLY B 30 4.185 9.916 1.379 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.991 9.402 3.058 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.969 9.659 1.324 1.00 0.00 H new ATOM 1137 N ALA B 31 2.717 6.927 0.908 1.00 0.00 N ATOM 1138 CA ALA B 31 2.451 5.519 0.608 1.00 0.00 C ATOM 1139 C ALA B 31 2.839 4.629 1.803 1.00 0.00 C ATOM 1140 O ALA B 31 2.067 3.753 2.214 1.00 0.00 O ATOM 1141 CB ALA B 31 3.177 5.119 -0.692 1.00 0.00 C ATOM 0 H ALA B 31 3.407 7.356 0.291 1.00 0.00 H new ATOM 0 HA ALA B 31 1.383 5.372 0.445 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.977 4.070 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.818 5.738 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.250 5.266 -0.569 1.00 0.00 H new ATOM 1147 N GLU B 32 4.008 4.880 2.414 1.00 0.00 N ATOM 1148 CA GLU B 32 4.392 4.080 3.588 1.00 0.00 C ATOM 1149 C GLU B 32 3.432 4.339 4.777 1.00 0.00 C ATOM 1150 O GLU B 32 3.120 3.434 5.560 1.00 0.00 O ATOM 1151 CB GLU B 32 5.864 4.265 3.970 1.00 0.00 C ATOM 1152 CG GLU B 32 6.143 5.620 4.610 1.00 0.00 C ATOM 1153 CD GLU B 32 7.603 5.737 5.090 1.00 0.00 C ATOM 1154 OE1 GLU B 32 7.940 5.153 6.149 1.00 0.00 O ATOM 1155 OE2 GLU B 32 8.416 6.429 4.432 1.00 0.00 O ATOM 0 H GLU B 32 4.677 5.596 2.132 1.00 0.00 H new ATOM 0 HA GLU B 32 4.290 3.030 3.312 1.00 0.00 H new ATOM 0 HB2 GLU B 32 6.157 3.475 4.661 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.482 4.155 3.079 1.00 0.00 H new ATOM 0 HG2 GLU B 32 5.932 6.412 3.891 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.470 5.769 5.454 1.00 0.00 H new ATOM 1162 N GLN B 33 2.896 5.566 4.892 1.00 0.00 N ATOM 1163 CA GLN B 33 1.854 5.870 5.875 1.00 0.00 C ATOM 1164 C GLN B 33 0.522 5.162 5.593 1.00 0.00 C ATOM 1165 O GLN B 33 -0.140 4.733 6.541 1.00 0.00 O ATOM 1166 CB GLN B 33 1.702 7.387 6.030 1.00 0.00 C ATOM 1167 CG GLN B 33 2.667 7.883 7.116 1.00 0.00 C ATOM 1168 CD GLN B 33 2.824 9.394 7.122 1.00 0.00 C ATOM 1169 OE1 GLN B 33 2.290 10.114 7.957 1.00 0.00 O ATOM 1170 NE2 GLN B 33 3.584 9.924 6.193 1.00 0.00 N ATOM 0 H GLN B 33 3.170 6.360 4.314 1.00 0.00 H new ATOM 0 HA GLN B 33 2.179 5.462 6.832 1.00 0.00 H new ATOM 0 HB2 GLN B 33 1.914 7.884 5.084 1.00 0.00 H new ATOM 0 HB3 GLN B 33 0.675 7.636 6.298 1.00 0.00 H new ATOM 0 HG2 GLN B 33 2.307 7.556 8.092 1.00 0.00 H new ATOM 0 HG3 GLN B 33 3.643 7.422 6.966 1.00 0.00 H new ATOM 0 HE21 GLN B 33 4.030 9.327 5.497 1.00 0.00 H new ATOM 0 HE22 GLN B 33 3.729 10.933 6.167 1.00 0.00 H new ATOM 1179 N ILE B 34 0.154 4.932 4.327 1.00 0.00 N ATOM 1180 CA ILE B 34 -0.938 3.995 4.019 1.00 0.00 C ATOM 1181 C ILE B 34 -0.571 2.601 4.520 1.00 0.00 C ATOM 1182 O ILE B 34 -1.431 1.958 5.107 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.325 3.917 2.533 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.636 5.306 1.963 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.577 3.019 2.428 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.727 5.278 0.434 1.00 0.00 C ATOM 0 H ILE B 34 0.585 5.370 3.513 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.815 4.388 4.534 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.494 3.508 1.958 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.577 5.668 2.378 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -0.861 6.008 2.270 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.882 2.940 1.384 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.346 2.026 2.815 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.388 3.456 3.011 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -1.949 6.279 0.064 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -0.777 4.940 0.019 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.520 4.595 0.129 1.00 0.00 H new ATOM 1198 N ILE B 35 0.675 2.129 4.372 1.00 0.00 N ATOM 1199 CA ILE B 35 1.031 0.829 4.983 1.00 0.00 C ATOM 1200 C ILE B 35 0.809 0.793 6.489 1.00 0.00 C ATOM 1201 O ILE B 35 0.333 -0.216 7.007 1.00 0.00 O ATOM 1202 CB ILE B 35 2.445 0.328 4.627 1.00 0.00 C ATOM 1203 CG1 ILE B 35 2.291 -0.947 3.783 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.408 0.023 5.796 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.591 -2.144 4.432 1.00 0.00 C ATOM 0 H ILE B 35 1.425 2.596 3.862 1.00 0.00 H new ATOM 0 HA ILE B 35 0.330 0.129 4.527 1.00 0.00 H new ATOM 0 HB ILE B 35 2.913 1.163 4.106 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.742 -0.687 2.878 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.286 -1.267 3.472 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.364 -0.320 5.400 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.562 0.927 6.385 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.978 -0.754 6.429 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.553 -2.971 3.723 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.144 -2.451 5.320 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.577 -1.863 4.716 1.00 0.00 H new ATOM 1217 N SER B 36 1.095 1.898 7.172 1.00 0.00 N ATOM 1218 CA SER B 36 0.793 2.017 8.598 1.00 0.00 C ATOM 1219 C SER B 36 -0.715 1.879 8.832 1.00 0.00 C ATOM 1220 O SER B 36 -1.121 1.054 9.647 1.00 0.00 O ATOM 1221 CB SER B 36 1.343 3.328 9.168 1.00 0.00 C ATOM 1222 OG SER B 36 1.298 3.303 10.585 1.00 0.00 O ATOM 0 H SER B 36 1.534 2.723 6.764 1.00 0.00 H new ATOM 0 HA SER B 36 1.289 1.206 9.131 1.00 0.00 H new ATOM 0 HB2 SER B 36 2.369 3.477 8.832 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.760 4.169 8.793 1.00 0.00 H new ATOM 0 HG SER B 36 1.653 4.145 10.938 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.564 2.558 8.046 1.00 0.00 N ATOM 1229 CA GLU B 37 -3.027 2.409 8.151 1.00 0.00 C ATOM 1230 C GLU B 37 -3.499 0.978 7.819 1.00 0.00 C ATOM 1231 O GLU B 37 -4.299 0.398 8.557 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.742 3.420 7.236 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.555 4.889 7.640 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.272 5.220 8.964 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -5.497 5.494 8.941 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -3.618 5.215 10.035 1.00 0.00 O ATOM 0 H GLU B 37 -1.263 3.218 7.328 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.289 2.609 9.190 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.379 3.288 6.217 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.808 3.192 7.227 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.491 5.105 7.740 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.938 5.534 6.849 1.00 0.00 H new ATOM 1243 N ILE B 38 -2.973 0.379 6.744 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.340 -0.962 6.270 1.00 0.00 C ATOM 1245 C ILE B 38 -2.979 -2.034 7.314 1.00 0.00 C ATOM 1246 O ILE B 38 -3.847 -2.741 7.843 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.708 -1.163 4.868 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.573 -0.424 3.818 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.539 -2.621 4.479 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.067 -0.510 2.368 1.00 0.00 C ATOM 0 H ILE B 38 -2.262 0.825 6.164 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.419 -1.067 6.153 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.701 -0.747 4.904 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.585 -0.828 3.856 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.638 0.627 4.100 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.092 -2.683 3.487 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.891 -3.118 5.201 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.513 -3.110 4.469 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.743 0.040 1.713 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.069 -0.077 2.305 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.030 -1.554 2.057 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.708 -2.096 7.704 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.253 -3.050 8.709 1.00 0.00 C ATOM 1264 C GLN B 39 -1.935 -2.812 10.066 1.00 0.00 C ATOM 1265 O GLN B 39 -2.228 -3.773 10.777 1.00 0.00 O ATOM 1266 CB GLN B 39 0.266 -2.981 8.860 1.00 0.00 C ATOM 1267 CG GLN B 39 1.053 -3.659 7.721 1.00 0.00 C ATOM 1268 CD GLN B 39 2.474 -4.045 8.138 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.122 -3.413 8.963 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.000 -5.113 7.585 1.00 0.00 N ATOM 0 H GLN B 39 -0.972 -1.493 7.336 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.531 -4.047 8.368 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.565 -1.935 8.919 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.546 -3.446 9.805 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.518 -4.551 7.396 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.099 -2.986 6.865 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.468 -5.646 6.897 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.941 -5.410 7.843 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.257 -1.558 10.399 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.041 -1.231 11.592 1.00 0.00 C ATOM 1281 C ASN B 40 -4.500 -1.715 11.516 1.00 0.00 C ATOM 1282 O ASN B 40 -5.027 -2.129 12.547 1.00 0.00 O ATOM 1283 CB ASN B 40 -2.981 0.278 11.854 1.00 0.00 C ATOM 1284 CG ASN B 40 -3.662 0.669 13.155 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -4.849 0.960 13.204 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -2.947 0.666 14.257 1.00 0.00 N ATOM 0 H ASN B 40 -1.982 -0.744 9.850 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.591 -1.769 12.427 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -1.939 0.598 11.882 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.454 0.807 11.026 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -3.382 0.906 15.148 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -1.957 0.424 14.222 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.156 -1.721 10.345 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.527 -2.244 10.240 1.00 0.00 C ATOM 1295 C GLN B 41 -6.566 -3.779 10.208 1.00 0.00 C ATOM 1296 O GLN B 41 -7.563 -4.360 10.639 1.00 0.00 O ATOM 1297 CB GLN B 41 -7.358 -1.567 9.139 1.00 0.00 C ATOM 1298 CG GLN B 41 -6.865 -1.819 7.712 1.00 0.00 C ATOM 1299 CD GLN B 41 -7.779 -1.243 6.630 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.729 -0.508 6.872 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -7.523 -1.552 5.375 1.00 0.00 N ATOM 0 H GLN B 41 -4.766 -1.375 9.469 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.034 -1.962 11.163 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -8.389 -1.912 9.218 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.367 -0.492 9.320 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -5.870 -1.388 7.600 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.766 -2.893 7.557 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -6.737 -2.162 5.150 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -8.111 -1.181 4.628 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.474 -4.450 9.799 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.307 -5.878 10.138 1.00 0.00 C ATOM 1312 C LEU B 42 -5.096 -6.096 11.647 1.00 0.00 C ATOM 1313 O LEU B 42 -5.756 -6.944 12.249 1.00 0.00 O ATOM 1314 CB LEU B 42 -4.214 -6.516 9.264 1.00 0.00 C ATOM 1315 CG LEU B 42 -4.068 -8.060 9.364 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.410 -8.580 8.092 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -3.167 -8.483 10.530 1.00 0.00 C ATOM 0 H LEU B 42 -4.715 -4.044 9.251 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.237 -6.397 9.907 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -4.413 -6.258 8.224 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.258 -6.064 9.527 1.00 0.00 H new ATOM 0 HG LEU B 42 -5.068 -8.467 9.514 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.304 -9.663 8.154 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.029 -8.325 7.232 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.426 -8.125 7.979 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.096 -9.570 10.559 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.173 -8.058 10.394 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.591 -8.122 11.467 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.209 -5.320 12.274 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.838 -5.485 13.689 1.00 0.00 C ATOM 1331 C GLN B 43 -4.987 -5.153 14.666 1.00 0.00 C ATOM 1332 O GLN B 43 -5.105 -5.774 15.724 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.586 -4.632 13.957 1.00 0.00 C ATOM 1334 CG GLN B 43 -1.937 -4.913 15.319 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.581 -4.222 15.432 1.00 0.00 C ATOM 1336 OE1 GLN B 43 0.418 -4.678 14.888 1.00 0.00 O ATOM 1337 NE2 GLN B 43 -0.488 -3.094 16.103 1.00 0.00 N ATOM 0 H GLN B 43 -3.721 -4.552 11.813 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.620 -6.537 13.873 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -1.855 -4.816 13.170 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -2.855 -3.577 13.902 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -2.593 -4.566 16.117 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -1.814 -5.988 15.452 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -1.312 -2.703 16.561 1.00 0.00 H new ATOM 0 HE22 GLN B 43 0.408 -2.610 16.166 1.00 0.00 H new ATOM 1346 N ASN B 44 -5.851 -4.201 14.302 1.00 0.00 N ATOM 1347 CA ASN B 44 -7.050 -3.789 15.032 1.00 0.00 C ATOM 1348 C ASN B 44 -8.169 -3.440 14.030 1.00 0.00 C ATOM 1349 O ASN B 44 -8.075 -2.437 13.317 1.00 0.00 O ATOM 1350 CB ASN B 44 -6.667 -2.595 15.929 1.00 0.00 C ATOM 1351 CG ASN B 44 -7.870 -1.891 16.534 1.00 0.00 C ATOM 1352 OD1 ASN B 44 -8.176 -0.755 16.198 1.00 0.00 O ATOM 1353 ND2 ASN B 44 -8.612 -2.544 17.397 1.00 0.00 N ATOM 0 H ASN B 44 -5.724 -3.668 13.442 1.00 0.00 H new ATOM 0 HA ASN B 44 -7.432 -4.591 15.664 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -6.018 -2.945 16.731 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -6.092 -1.878 15.343 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -9.445 -2.105 17.789 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -8.356 -3.491 17.676 1.00 0.00 H new ATOM 1360 N LEU B 45 -9.227 -4.255 13.979 1.00 0.00 N ATOM 1361 CA LEU B 45 -10.314 -4.127 12.998 1.00 0.00 C ATOM 1362 C LEU B 45 -11.064 -2.783 13.120 1.00 0.00 C ATOM 1363 O LEU B 45 -11.302 -2.288 14.227 1.00 0.00 O ATOM 1364 CB LEU B 45 -11.252 -5.343 13.144 1.00 0.00 C ATOM 1365 CG LEU B 45 -12.377 -5.440 12.092 1.00 0.00 C ATOM 1366 CD1 LEU B 45 -11.842 -5.602 10.666 1.00 0.00 C ATOM 1367 CD2 LEU B 45 -13.264 -6.648 12.403 1.00 0.00 C ATOM 0 H LEU B 45 -9.356 -5.033 14.626 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.891 -4.121 11.993 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -10.652 -6.252 13.095 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -11.705 -5.314 14.135 1.00 0.00 H new ATOM 0 HG LEU B 45 -12.937 -4.506 12.144 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -12.678 -5.665 9.969 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -11.220 -4.744 10.411 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -11.247 -6.513 10.602 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -14.059 -6.717 11.660 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -12.663 -7.557 12.377 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -13.703 -6.532 13.394 1.00 0.00 H new ATOM 1379 N LYS B 46 -11.442 -2.210 11.970 1.00 0.00 N ATOM 1380 CA LYS B 46 -12.099 -0.898 11.823 1.00 0.00 C ATOM 1381 C LYS B 46 -13.548 -1.027 11.334 1.00 0.00 C ATOM 1382 O LYS B 46 -13.788 -1.737 10.331 1.00 0.00 O ATOM 1383 CB LYS B 46 -11.263 -0.003 10.887 1.00 0.00 C ATOM 1384 CG LYS B 46 -9.823 0.271 11.359 1.00 0.00 C ATOM 1385 CD LYS B 46 -9.756 1.082 12.663 1.00 0.00 C ATOM 1386 CE LYS B 46 -8.306 1.448 13.007 1.00 0.00 C ATOM 1387 NZ LYS B 46 -7.569 0.318 13.624 1.00 0.00 N ATOM 1388 OXT LYS B 46 -14.441 -0.415 11.963 1.00 0.00 O ATOM 0 H LYS B 46 -11.292 -2.668 11.071 1.00 0.00 H new ATOM 0 HA LYS B 46 -12.151 -0.430 12.806 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -11.224 -0.470 9.903 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -11.777 0.951 10.767 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.308 -0.679 11.503 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -9.287 0.809 10.577 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -10.350 1.990 12.562 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -10.193 0.504 13.478 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -7.789 1.764 12.101 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -8.301 2.298 13.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -6.547 0.510 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -7.868 0.208 14.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -7.774 -0.557 13.101 1.00 0.00 H new TER 1402 LYS B 46