USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 LYS NZ :NH3+ 165:sc= 0.824 (180deg=0.682) USER MOD Set 1.2: A 72 SER OG : rot -139:sc= 1.15 USER MOD Set 2.1: A 59 HIS : no HE2:sc= -3.3 K(o=-13,f=-13!) USER MOD Set 2.2: A 152 THR OG1 : rot -56:sc= 0.11 USER MOD Set 2.3: A 157 HIS : no HD1:sc= -9.68! C(o=-13!,f=-15!) USER MOD Set 3.1: A 57 CYS SG : rot 9:sc= 0.426 USER MOD Set 3.2: A 138 SER OG : rot -111:sc= -1.57! USER MOD Single : A 58 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 64 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-7.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.0045) USER MOD Single : A 67 SER OG : rot 107:sc= 0.628 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 77 LYS NZ :NH3+ -112:sc= -0.843 (180deg=-2.81!) USER MOD Single : A 79 THR OG1 : rot -45:sc= 1.01 USER MOD Single : A 81 THR OG1 : rot -151:sc= -2.12 USER MOD Single : A 82 LYS NZ :NH3+ -153:sc= -0.346 (180deg=-1.62!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.115 F(o=-0.81,f=-0.11) USER MOD Single : A 92 TYR OH : rot -61:sc= 1.67 USER MOD Single : A 94 GLN : amide:sc=-0.00145 X(o=-0.0014,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= -0.167 (180deg=-1.15) USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= -0.995 (180deg=-3.46!) USER MOD Single : A 98 SER OG : rot -44:sc= 0.399 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 111 SER OG : rot 20:sc= -0.646 USER MOD Single : A 113 CYS SG : rot 180:sc=0.000488 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -170:sc= -0.106 USER MOD Single : A 117 LYS NZ :NH3+ 133:sc= -0.527 (180deg=-2.48!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.955 K(o=-0.95,f=-3.4!) USER MOD Single : A 130 MET CE :methyl 130:sc= -1.29 (180deg=-3.52) USER MOD Single : A 131 GLN : amide:sc= -1.14 K(o=-1.1,f=-2!) USER MOD Single : A 132 LYS NZ :NH3+ -137:sc= 0.64 (180deg=0.0666) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 MET CE :methyl -126:sc= -7.42! (180deg=-13!) USER MOD Single : A 147 SER OG : rot -66:sc= -1.37! USER MOD Single : A 154 SER OG : rot -79:sc= 1.23 USER MOD Single : A 162 THR OG1 : rot -150:sc= -2.78 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 29.446 -1.961 10.278 1.00 0.00 N ATOM 2 CA GLY A 50 29.068 -0.662 9.653 1.00 0.00 C ATOM 3 C GLY A 50 30.271 0.215 9.369 1.00 0.00 C ATOM 4 O GLY A 50 30.326 1.366 9.802 1.00 0.00 O ATOM 0 HA2 GLY A 50 28.533 -0.852 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.382 -0.131 10.313 1.00 0.00 H new ATOM 10 N GLU A 51 31.237 -0.331 8.637 1.00 0.00 N ATOM 11 CA GLU A 51 32.446 0.409 8.294 1.00 0.00 C ATOM 12 C GLU A 51 32.787 0.236 6.816 1.00 0.00 C ATOM 13 O GLU A 51 32.250 -0.648 6.147 1.00 0.00 O ATOM 14 CB GLU A 51 33.619 -0.060 9.160 1.00 0.00 C ATOM 15 CG GLU A 51 33.887 0.835 10.356 1.00 0.00 C ATOM 16 CD GLU A 51 35.366 0.969 10.663 1.00 0.00 C ATOM 17 OE1 GLU A 51 35.889 0.143 11.441 1.00 0.00 O ATOM 18 OE2 GLU A 51 36.002 1.900 10.125 1.00 0.00 O ATOM 0 H GLU A 51 31.206 -1.282 8.270 1.00 0.00 H new ATOM 0 HA GLU A 51 32.263 1.466 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 51 33.418 -1.072 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 51 34.517 -0.109 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.468 1.823 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.373 0.432 11.229 1.00 0.00 H new ATOM 25 N PRO A 52 33.690 1.080 6.285 1.00 0.00 N ATOM 26 CA PRO A 52 34.101 1.010 4.878 1.00 0.00 C ATOM 27 C PRO A 52 34.756 -0.323 4.538 1.00 0.00 C ATOM 28 O PRO A 52 35.813 -0.662 5.071 1.00 0.00 O ATOM 29 CB PRO A 52 35.110 2.156 4.735 1.00 0.00 C ATOM 30 CG PRO A 52 35.558 2.457 6.123 1.00 0.00 C ATOM 31 CD PRO A 52 34.383 2.158 7.009 1.00 0.00 C ATOM 0 HA PRO A 52 33.250 1.094 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 52 35.950 1.865 4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 52 34.651 3.029 4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 52 36.419 1.847 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 52 35.863 3.499 6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 52 34.697 1.840 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 52 33.744 3.031 7.141 1.00 0.00 H new ATOM 39 N ALA A 53 34.121 -1.080 3.649 1.00 0.00 N ATOM 40 CA ALA A 53 34.641 -2.379 3.240 1.00 0.00 C ATOM 41 C ALA A 53 35.736 -2.233 2.189 1.00 0.00 C ATOM 42 O ALA A 53 36.567 -3.126 2.018 1.00 0.00 O ATOM 43 CB ALA A 53 33.513 -3.252 2.711 1.00 0.00 C ATOM 0 H ALA A 53 33.245 -0.816 3.198 1.00 0.00 H new ATOM 0 HA ALA A 53 35.081 -2.857 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 53 33.913 -4.220 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 32.767 -3.396 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 33.049 -2.767 1.852 1.00 0.00 H new ATOM 49 N ARG A 54 35.736 -1.106 1.483 1.00 0.00 N ATOM 50 CA ARG A 54 36.730 -0.854 0.446 1.00 0.00 C ATOM 51 C ARG A 54 37.021 0.640 0.326 1.00 0.00 C ATOM 52 O ARG A 54 36.139 1.472 0.530 1.00 0.00 O ATOM 53 CB ARG A 54 36.241 -1.415 -0.896 1.00 0.00 C ATOM 54 CG ARG A 54 36.960 -0.847 -2.116 1.00 0.00 C ATOM 55 CD ARG A 54 36.308 0.436 -2.618 1.00 0.00 C ATOM 56 NE ARG A 54 34.849 0.385 -2.549 1.00 0.00 N ATOM 57 CZ ARG A 54 34.083 -0.218 -3.454 1.00 0.00 C ATOM 58 NH1 ARG A 54 34.630 -0.822 -4.502 1.00 0.00 N ATOM 59 NH2 ARG A 54 32.765 -0.219 -3.310 1.00 0.00 N ATOM 0 H ARG A 54 35.059 -0.354 1.610 1.00 0.00 H new ATOM 0 HA ARG A 54 37.656 -1.358 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.363 -2.498 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.174 -1.215 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.002 -0.649 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 54 36.961 -1.589 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.667 1.278 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.614 0.616 -3.649 1.00 0.00 H new ATOM 0 HE ARG A 54 34.390 0.839 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.643 -0.826 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.037 -1.283 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.339 0.242 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.177 -0.681 -4.003 1.00 0.00 H new ATOM 73 N VAL A 55 38.265 0.970 -0.011 1.00 0.00 N ATOM 74 CA VAL A 55 38.672 2.362 -0.165 1.00 0.00 C ATOM 75 C VAL A 55 39.817 2.497 -1.164 1.00 0.00 C ATOM 76 O VAL A 55 40.582 1.554 -1.377 1.00 0.00 O ATOM 77 CB VAL A 55 39.106 2.973 1.181 1.00 0.00 C ATOM 78 CG1 VAL A 55 37.925 3.066 2.133 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.233 2.158 1.795 1.00 0.00 C ATOM 0 H VAL A 55 39.008 0.292 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 55 37.803 2.903 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 55 39.474 3.983 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.252 3.500 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.152 3.696 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 55 37.523 2.069 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 55 40.528 2.603 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 39.893 1.136 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.087 2.150 1.118 1.00 0.00 H new ATOM 89 N ARG A 56 39.934 3.674 -1.770 1.00 0.00 N ATOM 90 CA ARG A 56 40.992 3.935 -2.741 1.00 0.00 C ATOM 91 C ARG A 56 42.150 4.674 -2.082 1.00 0.00 C ATOM 92 O ARG A 56 41.969 5.760 -1.529 1.00 0.00 O ATOM 93 CB ARG A 56 40.446 4.752 -3.914 1.00 0.00 C ATOM 94 CG ARG A 56 41.425 4.886 -5.070 1.00 0.00 C ATOM 95 CD ARG A 56 40.791 4.480 -6.392 1.00 0.00 C ATOM 96 NE ARG A 56 39.544 5.199 -6.644 1.00 0.00 N ATOM 97 CZ ARG A 56 38.697 4.891 -7.624 1.00 0.00 C ATOM 98 NH1 ARG A 56 38.958 3.883 -8.446 1.00 0.00 N ATOM 99 NH2 ARG A 56 37.585 5.596 -7.782 1.00 0.00 N ATOM 0 H ARG A 56 39.309 4.463 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 56 41.358 2.980 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.530 4.285 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.177 5.747 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 56 41.773 5.917 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 56 42.300 4.265 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 56 41.491 4.673 -7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 56 40.597 3.407 -6.387 1.00 0.00 H new ATOM 0 HE ARG A 56 39.309 5.982 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 56 39.812 3.338 -8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 56 38.304 3.653 -9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 56 37.380 6.373 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 56 36.935 5.362 -8.532 1.00 0.00 H new ATOM 113 N CYS A 57 43.337 4.077 -2.134 1.00 0.00 N ATOM 114 CA CYS A 57 44.517 4.685 -1.527 1.00 0.00 C ATOM 115 C CYS A 57 45.768 4.457 -2.369 1.00 0.00 C ATOM 116 O CYS A 57 45.855 3.495 -3.132 1.00 0.00 O ATOM 117 CB CYS A 57 44.741 4.110 -0.125 1.00 0.00 C ATOM 118 SG CYS A 57 43.501 4.622 1.087 1.00 0.00 S ATOM 0 H CYS A 57 43.507 3.179 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 57 44.337 5.758 -1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 57 44.746 3.022 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.726 4.414 0.228 1.00 0.00 H new ATOM 0 HG CYS A 57 42.531 5.240 0.481 1.00 0.00 H new ATOM 124 N SER A 58 46.742 5.343 -2.199 1.00 0.00 N ATOM 125 CA SER A 58 48.010 5.248 -2.904 1.00 0.00 C ATOM 126 C SER A 58 49.116 4.998 -1.891 1.00 0.00 C ATOM 127 O SER A 58 48.962 5.336 -0.721 1.00 0.00 O ATOM 128 CB SER A 58 48.288 6.538 -3.684 1.00 0.00 C ATOM 129 OG SER A 58 47.199 7.440 -3.587 1.00 0.00 O ATOM 0 H SER A 58 46.674 6.144 -1.571 1.00 0.00 H new ATOM 0 HA SER A 58 47.969 4.424 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.191 7.011 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 58 48.474 6.300 -4.731 1.00 0.00 H new ATOM 0 HG SER A 58 47.403 8.255 -4.092 1.00 0.00 H new ATOM 135 N HIS A 59 50.222 4.404 -2.320 1.00 0.00 N ATOM 136 CA HIS A 59 51.313 4.130 -1.394 1.00 0.00 C ATOM 137 C HIS A 59 52.674 4.212 -2.079 1.00 0.00 C ATOM 138 O HIS A 59 52.785 4.053 -3.294 1.00 0.00 O ATOM 139 CB HIS A 59 51.115 2.759 -0.729 1.00 0.00 C ATOM 140 CG HIS A 59 51.666 1.610 -1.520 1.00 0.00 C ATOM 141 ND1 HIS A 59 52.335 0.554 -0.943 1.00 0.00 N ATOM 142 CD2 HIS A 59 51.648 1.359 -2.851 1.00 0.00 C ATOM 143 CE1 HIS A 59 52.710 -0.296 -1.884 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.302 0.168 -3.051 1.00 0.00 N ATOM 0 H HIS A 59 50.386 4.108 -3.282 1.00 0.00 H new ATOM 0 HA HIS A 59 51.296 4.900 -0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.589 2.771 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.050 2.596 -0.566 1.00 0.00 H new ATOM 0 HD1 HIS A 59 52.514 0.444 0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 59 51.202 1.980 -3.614 1.00 0.00 H new ATOM 0 HE1 HIS A 59 53.257 -1.214 -1.725 1.00 0.00 H new ATOM 153 N LEU A 60 53.704 4.466 -1.279 1.00 0.00 N ATOM 154 CA LEU A 60 55.067 4.578 -1.783 1.00 0.00 C ATOM 155 C LEU A 60 56.011 3.689 -0.980 1.00 0.00 C ATOM 156 O LEU A 60 56.114 3.822 0.240 1.00 0.00 O ATOM 157 CB LEU A 60 55.533 6.033 -1.709 1.00 0.00 C ATOM 158 CG LEU A 60 56.784 6.353 -2.524 1.00 0.00 C ATOM 159 CD1 LEU A 60 56.950 7.858 -2.678 1.00 0.00 C ATOM 160 CD2 LEU A 60 58.013 5.745 -1.869 1.00 0.00 C ATOM 0 H LEU A 60 53.619 4.599 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 60 55.080 4.249 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 60 54.722 6.676 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 60 55.723 6.285 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 60 56.671 5.917 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 60 57.847 8.067 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 56.080 8.270 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 57.043 8.316 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.896 5.982 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 60 58.130 6.153 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 60 57.896 4.663 -1.809 1.00 0.00 H new ATOM 172 N LEU A 61 56.694 2.776 -1.667 1.00 0.00 N ATOM 173 CA LEU A 61 57.624 1.862 -1.007 1.00 0.00 C ATOM 174 C LEU A 61 59.062 2.363 -1.113 1.00 0.00 C ATOM 175 O LEU A 61 59.499 2.812 -2.174 1.00 0.00 O ATOM 176 CB LEU A 61 57.516 0.459 -1.620 1.00 0.00 C ATOM 177 CG LEU A 61 58.653 -0.508 -1.264 1.00 0.00 C ATOM 178 CD1 LEU A 61 58.962 -0.459 0.227 1.00 0.00 C ATOM 179 CD2 LEU A 61 58.303 -1.926 -1.688 1.00 0.00 C ATOM 0 H LEU A 61 56.622 2.649 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 61 57.354 1.817 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.572 0.015 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 61 57.473 0.558 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 61 59.545 -0.195 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.771 -1.153 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.263 0.552 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 61 58.073 -0.740 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.122 -2.596 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.395 -2.245 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.141 -1.954 -2.765 1.00 0.00 H new ATOM 191 N VAL A 62 59.795 2.268 -0.008 1.00 0.00 N ATOM 192 CA VAL A 62 61.188 2.695 0.027 1.00 0.00 C ATOM 193 C VAL A 62 62.037 1.689 0.800 1.00 0.00 C ATOM 194 O VAL A 62 62.211 1.812 2.013 1.00 0.00 O ATOM 195 CB VAL A 62 61.341 4.088 0.672 1.00 0.00 C ATOM 196 CG1 VAL A 62 62.808 4.478 0.789 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.572 5.127 -0.127 1.00 0.00 C ATOM 0 H VAL A 62 59.446 1.898 0.876 1.00 0.00 H new ATOM 0 HA VAL A 62 61.533 2.751 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 62 60.925 4.045 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 62 62.887 5.464 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.330 3.748 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.258 4.502 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.689 6.105 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.959 5.162 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.515 4.860 -0.149 1.00 0.00 H new ATOM 207 N LYS A 63 62.557 0.693 0.092 1.00 0.00 N ATOM 208 CA LYS A 63 63.385 -0.333 0.711 1.00 0.00 C ATOM 209 C LYS A 63 64.625 0.284 1.342 1.00 0.00 C ATOM 210 O LYS A 63 64.963 1.437 1.077 1.00 0.00 O ATOM 211 CB LYS A 63 63.790 -1.387 -0.321 1.00 0.00 C ATOM 212 CG LYS A 63 62.896 -2.616 -0.319 1.00 0.00 C ATOM 213 CD LYS A 63 62.752 -3.201 -1.713 1.00 0.00 C ATOM 214 CE LYS A 63 61.639 -4.237 -1.771 1.00 0.00 C ATOM 215 NZ LYS A 63 61.937 -5.323 -2.746 1.00 0.00 N ATOM 0 H LYS A 63 62.419 0.575 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 63 62.800 -0.814 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.772 -0.937 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 63 64.818 -1.695 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 63 63.311 -3.368 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 63 61.912 -2.351 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 63 62.544 -2.402 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 63 63.693 -3.660 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 63 61.494 -4.669 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 60.704 -3.749 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 61.297 -6.125 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 61.800 -4.968 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 62.922 -5.635 -2.628 1.00 0.00 H new ATOM 229 N HIS A 64 65.294 -0.490 2.185 1.00 0.00 N ATOM 230 CA HIS A 64 66.492 -0.016 2.858 1.00 0.00 C ATOM 231 C HIS A 64 67.516 -1.137 3.019 1.00 0.00 C ATOM 232 O HIS A 64 67.214 -2.306 2.777 1.00 0.00 O ATOM 233 CB HIS A 64 66.128 0.570 4.223 1.00 0.00 C ATOM 234 CG HIS A 64 65.098 -0.217 4.976 1.00 0.00 C ATOM 235 ND1 HIS A 64 65.352 -1.452 5.535 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.809 0.071 5.280 1.00 0.00 C ATOM 237 CE1 HIS A 64 64.271 -1.887 6.153 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.320 -0.984 6.013 1.00 0.00 N ATOM 0 H HIS A 64 65.027 -1.447 2.418 1.00 0.00 H new ATOM 0 HA HIS A 64 66.942 0.763 2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 64 67.031 0.638 4.829 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.761 1.587 4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.268 0.962 4.999 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.180 -2.823 6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.374 -1.057 6.388 1.00 0.00 H new ATOM 247 N SER A 65 68.728 -0.770 3.425 1.00 0.00 N ATOM 248 CA SER A 65 69.802 -1.740 3.619 1.00 0.00 C ATOM 249 C SER A 65 69.397 -2.830 4.609 1.00 0.00 C ATOM 250 O SER A 65 69.995 -3.905 4.643 1.00 0.00 O ATOM 251 CB SER A 65 71.068 -1.035 4.113 1.00 0.00 C ATOM 252 OG SER A 65 72.013 -1.969 4.607 1.00 0.00 O ATOM 0 H SER A 65 68.992 0.194 3.627 1.00 0.00 H new ATOM 0 HA SER A 65 70.002 -2.212 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.510 -0.462 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 65 70.809 -0.325 4.898 1.00 0.00 H new ATOM 0 HG SER A 65 72.813 -1.494 4.915 1.00 0.00 H new ATOM 258 N GLN A 66 68.380 -2.546 5.416 1.00 0.00 N ATOM 259 CA GLN A 66 67.896 -3.501 6.408 1.00 0.00 C ATOM 260 C GLN A 66 66.740 -4.343 5.866 1.00 0.00 C ATOM 261 O GLN A 66 66.195 -5.185 6.579 1.00 0.00 O ATOM 262 CB GLN A 66 67.440 -2.764 7.668 1.00 0.00 C ATOM 263 CG GLN A 66 68.566 -2.052 8.401 1.00 0.00 C ATOM 264 CD GLN A 66 68.623 -2.407 9.874 1.00 0.00 C ATOM 265 OE1 GLN A 66 68.600 -1.529 10.737 1.00 0.00 O ATOM 266 NE2 GLN A 66 68.698 -3.699 10.169 1.00 0.00 N ATOM 0 H GLN A 66 67.874 -1.661 5.403 1.00 0.00 H new ATOM 0 HA GLN A 66 68.722 -4.171 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.677 -2.034 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 66 66.971 -3.477 8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 66 69.517 -2.307 7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 66 68.438 -0.975 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 66 68.714 -4.393 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 66 68.739 -3.998 11.143 1.00 0.00 H new ATOM 275 N SER A 67 66.367 -4.119 4.608 1.00 0.00 N ATOM 276 CA SER A 67 65.278 -4.872 3.996 1.00 0.00 C ATOM 277 C SER A 67 65.665 -6.338 3.836 1.00 0.00 C ATOM 278 O SER A 67 66.834 -6.657 3.615 1.00 0.00 O ATOM 279 CB SER A 67 64.916 -4.274 2.635 1.00 0.00 C ATOM 280 OG SER A 67 64.149 -5.184 1.864 1.00 0.00 O ATOM 0 H SER A 67 66.800 -3.427 3.997 1.00 0.00 H new ATOM 0 HA SER A 67 64.409 -4.810 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 67 64.354 -3.351 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 67 65.826 -4.013 2.095 1.00 0.00 H new ATOM 0 HG SER A 67 63.217 -4.883 1.835 1.00 0.00 H new ATOM 286 N ARG A 68 64.684 -7.230 3.949 1.00 0.00 N ATOM 287 CA ARG A 68 64.944 -8.661 3.817 1.00 0.00 C ATOM 288 C ARG A 68 65.605 -8.965 2.473 1.00 0.00 C ATOM 289 O ARG A 68 66.506 -9.799 2.386 1.00 0.00 O ATOM 290 CB ARG A 68 63.647 -9.463 3.973 1.00 0.00 C ATOM 291 CG ARG A 68 62.737 -9.418 2.755 1.00 0.00 C ATOM 292 CD ARG A 68 61.271 -9.450 3.155 1.00 0.00 C ATOM 293 NE ARG A 68 60.438 -10.084 2.137 1.00 0.00 N ATOM 294 CZ ARG A 68 60.104 -11.374 2.143 1.00 0.00 C ATOM 295 NH1 ARG A 68 60.540 -12.180 3.103 1.00 0.00 N ATOM 296 NH2 ARG A 68 59.332 -11.861 1.180 1.00 0.00 N ATOM 0 H ARG A 68 63.709 -6.990 4.130 1.00 0.00 H new ATOM 0 HA ARG A 68 65.628 -8.959 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 68 63.899 -10.502 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 68 63.100 -9.084 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 68 62.939 -8.514 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 68 62.956 -10.264 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 68 61.164 -9.988 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 68 60.920 -8.432 3.328 1.00 0.00 H new ATOM 0 HE ARG A 68 60.090 -9.503 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 68 61.136 -11.813 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 68 60.279 -13.166 3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 68 58.996 -11.248 0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 68 59.075 -12.848 1.182 1.00 0.00 H new ATOM 310 N ARG A 69 65.157 -8.269 1.432 1.00 0.00 N ATOM 311 CA ARG A 69 65.705 -8.445 0.092 1.00 0.00 C ATOM 312 C ARG A 69 65.771 -7.102 -0.626 1.00 0.00 C ATOM 313 O ARG A 69 64.852 -6.734 -1.359 1.00 0.00 O ATOM 314 CB ARG A 69 64.858 -9.428 -0.724 1.00 0.00 C ATOM 315 CG ARG A 69 64.376 -10.638 0.063 1.00 0.00 C ATOM 316 CD ARG A 69 64.637 -11.937 -0.682 1.00 0.00 C ATOM 317 NE ARG A 69 64.094 -11.911 -2.038 1.00 0.00 N ATOM 318 CZ ARG A 69 62.794 -11.973 -2.318 1.00 0.00 C ATOM 319 NH1 ARG A 69 61.900 -12.054 -1.340 1.00 0.00 N ATOM 320 NH2 ARG A 69 62.387 -11.952 -3.579 1.00 0.00 N ATOM 0 H ARG A 69 64.412 -7.575 1.492 1.00 0.00 H new ATOM 0 HA ARG A 69 66.711 -8.855 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.992 -8.900 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 69 65.442 -9.773 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 69 64.878 -10.666 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.309 -10.541 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.711 -12.120 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.194 -12.766 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 69 64.750 -11.841 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.208 -12.069 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 69 60.905 -12.101 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 69 63.070 -11.888 -4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 69 61.391 -11.999 -3.794 1.00 0.00 H new ATOM 334 N PRO A 70 66.862 -6.345 -0.421 1.00 0.00 N ATOM 335 CA PRO A 70 67.041 -5.033 -1.049 1.00 0.00 C ATOM 336 C PRO A 70 67.280 -5.137 -2.550 1.00 0.00 C ATOM 337 O PRO A 70 68.419 -5.083 -3.014 1.00 0.00 O ATOM 338 CB PRO A 70 68.271 -4.463 -0.342 1.00 0.00 C ATOM 339 CG PRO A 70 69.030 -5.659 0.125 1.00 0.00 C ATOM 340 CD PRO A 70 68.002 -6.709 0.439 1.00 0.00 C ATOM 0 HA PRO A 70 66.153 -4.408 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 70 68.870 -3.854 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.986 -3.824 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 70 69.720 -6.007 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 70 69.627 -5.422 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 70 68.370 -7.710 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 70 67.728 -6.699 1.494 1.00 0.00 H new ATOM 348 N SER A 71 66.197 -5.287 -3.304 1.00 0.00 N ATOM 349 CA SER A 71 66.282 -5.399 -4.754 1.00 0.00 C ATOM 350 C SER A 71 64.904 -5.259 -5.391 1.00 0.00 C ATOM 351 O SER A 71 63.911 -5.759 -4.862 1.00 0.00 O ATOM 352 CB SER A 71 66.904 -6.741 -5.148 1.00 0.00 C ATOM 353 OG SER A 71 66.885 -6.919 -6.554 1.00 0.00 O ATOM 0 H SER A 71 65.248 -5.334 -2.933 1.00 0.00 H new ATOM 0 HA SER A 71 66.916 -4.591 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 71 67.931 -6.790 -4.786 1.00 0.00 H new ATOM 0 HB3 SER A 71 66.358 -7.553 -4.668 1.00 0.00 H new ATOM 0 HG SER A 71 67.289 -7.783 -6.780 1.00 0.00 H new ATOM 359 N SER A 72 64.851 -4.577 -6.528 1.00 0.00 N ATOM 360 CA SER A 72 63.594 -4.369 -7.238 1.00 0.00 C ATOM 361 C SER A 72 63.851 -3.869 -8.655 1.00 0.00 C ATOM 362 O SER A 72 64.997 -3.685 -9.063 1.00 0.00 O ATOM 363 CB SER A 72 62.713 -3.374 -6.480 1.00 0.00 C ATOM 364 OG SER A 72 61.595 -4.024 -5.898 1.00 0.00 O ATOM 0 H SER A 72 65.664 -4.158 -6.979 1.00 0.00 H new ATOM 0 HA SER A 72 63.074 -5.325 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 72 63.299 -2.884 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 72 62.371 -2.594 -7.160 1.00 0.00 H new ATOM 0 HG SER A 72 60.799 -3.461 -6.001 1.00 0.00 H new ATOM 370 N TRP A 73 62.775 -3.643 -9.404 1.00 0.00 N ATOM 371 CA TRP A 73 62.887 -3.160 -10.774 1.00 0.00 C ATOM 372 C TRP A 73 63.685 -1.862 -10.836 1.00 0.00 C ATOM 373 O TRP A 73 64.237 -1.510 -11.878 1.00 0.00 O ATOM 374 CB TRP A 73 61.497 -2.952 -11.379 1.00 0.00 C ATOM 375 CG TRP A 73 60.669 -1.942 -10.644 1.00 0.00 C ATOM 376 CD1 TRP A 73 59.888 -2.163 -9.544 1.00 0.00 C ATOM 377 CD2 TRP A 73 60.534 -0.552 -10.958 1.00 0.00 C ATOM 378 NE1 TRP A 73 59.276 -0.996 -9.159 1.00 0.00 N ATOM 379 CE2 TRP A 73 59.657 0.008 -10.011 1.00 0.00 C ATOM 380 CE3 TRP A 73 61.071 0.276 -11.949 1.00 0.00 C ATOM 381 CZ2 TRP A 73 59.304 1.354 -10.026 1.00 0.00 C ATOM 382 CZ3 TRP A 73 60.722 1.612 -11.963 1.00 0.00 C ATOM 383 CH2 TRP A 73 59.844 2.140 -11.007 1.00 0.00 C ATOM 0 H TRP A 73 61.817 -3.787 -9.084 1.00 0.00 H new ATOM 0 HA TRP A 73 63.419 -3.914 -11.354 1.00 0.00 H new ATOM 0 HB2 TRP A 73 61.605 -2.636 -12.416 1.00 0.00 H new ATOM 0 HB3 TRP A 73 60.968 -3.905 -11.390 1.00 0.00 H new ATOM 0 HD1 TRP A 73 59.770 -3.116 -9.050 1.00 0.00 H new ATOM 0 HE1 TRP A 73 58.641 -0.893 -8.368 1.00 0.00 H new ATOM 0 HE3 TRP A 73 61.747 -0.123 -12.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 58.628 1.763 -9.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 61.132 2.260 -12.723 1.00 0.00 H new ATOM 0 HH2 TRP A 73 59.588 3.189 -11.045 1.00 0.00 H new ATOM 394 N ARG A 74 63.743 -1.152 -9.713 1.00 0.00 N ATOM 395 CA ARG A 74 64.475 0.106 -9.639 1.00 0.00 C ATOM 396 C ARG A 74 65.979 -0.140 -9.556 1.00 0.00 C ATOM 397 O ARG A 74 66.766 0.546 -10.207 1.00 0.00 O ATOM 398 CB ARG A 74 64.008 0.921 -8.431 1.00 0.00 C ATOM 399 CG ARG A 74 63.295 2.211 -8.807 1.00 0.00 C ATOM 400 CD ARG A 74 64.152 3.082 -9.710 1.00 0.00 C ATOM 401 NE ARG A 74 63.712 3.027 -11.102 1.00 0.00 N ATOM 402 CZ ARG A 74 64.039 3.934 -12.019 1.00 0.00 C ATOM 403 NH1 ARG A 74 64.810 4.966 -11.698 1.00 0.00 N ATOM 404 NH2 ARG A 74 63.594 3.809 -13.262 1.00 0.00 N ATOM 0 H ARG A 74 63.291 -1.428 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 74 64.271 0.670 -10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.339 0.309 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.871 1.160 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.358 1.976 -9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.041 2.764 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.116 4.113 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.191 2.759 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 74 63.119 2.248 -11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 74 65.155 5.067 -10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.057 5.658 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.002 3.018 -13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.844 4.504 -13.966 1.00 0.00 H new ATOM 418 N GLN A 75 66.373 -1.121 -8.746 1.00 0.00 N ATOM 419 CA GLN A 75 67.785 -1.450 -8.579 1.00 0.00 C ATOM 420 C GLN A 75 67.963 -2.899 -8.135 1.00 0.00 C ATOM 421 O GLN A 75 67.017 -3.540 -7.680 1.00 0.00 O ATOM 422 CB GLN A 75 68.431 -0.516 -7.554 1.00 0.00 C ATOM 423 CG GLN A 75 68.854 0.826 -8.129 1.00 0.00 C ATOM 424 CD GLN A 75 69.491 1.729 -7.090 1.00 0.00 C ATOM 425 OE1 GLN A 75 69.014 1.829 -5.959 1.00 0.00 O ATOM 426 NE2 GLN A 75 70.577 2.393 -7.470 1.00 0.00 N ATOM 0 H GLN A 75 65.736 -1.699 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 75 68.274 -1.320 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 75 67.729 -0.346 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 75 69.304 -1.009 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 75 69.559 0.662 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 75 67.984 1.325 -8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 75 70.938 2.280 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 75 71.050 3.015 -6.815 1.00 0.00 H new ATOM 435 N GLU A 76 69.184 -3.405 -8.265 1.00 0.00 N ATOM 436 CA GLU A 76 69.492 -4.776 -7.874 1.00 0.00 C ATOM 437 C GLU A 76 69.993 -4.825 -6.434 1.00 0.00 C ATOM 438 O GLU A 76 69.717 -5.775 -5.702 1.00 0.00 O ATOM 439 CB GLU A 76 70.540 -5.374 -8.817 1.00 0.00 C ATOM 440 CG GLU A 76 71.016 -6.759 -8.406 1.00 0.00 C ATOM 441 CD GLU A 76 71.380 -7.630 -9.592 1.00 0.00 C ATOM 442 OE1 GLU A 76 71.494 -7.091 -10.714 1.00 0.00 O ATOM 443 OE2 GLU A 76 71.550 -8.853 -9.402 1.00 0.00 O ATOM 0 H GLU A 76 69.978 -2.886 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 76 68.578 -5.366 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.122 -5.427 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.398 -4.704 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 76 71.883 -6.661 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 76 70.234 -7.250 -7.827 1.00 0.00 H new ATOM 450 N LYS A 77 70.731 -3.794 -6.035 1.00 0.00 N ATOM 451 CA LYS A 77 71.269 -3.716 -4.682 1.00 0.00 C ATOM 452 C LYS A 77 70.954 -2.365 -4.051 1.00 0.00 C ATOM 453 O LYS A 77 71.577 -1.355 -4.379 1.00 0.00 O ATOM 454 CB LYS A 77 72.782 -3.945 -4.698 1.00 0.00 C ATOM 455 CG LYS A 77 73.389 -4.085 -3.313 1.00 0.00 C ATOM 456 CD LYS A 77 74.908 -4.117 -3.371 1.00 0.00 C ATOM 457 CE LYS A 77 75.410 -5.311 -4.169 1.00 0.00 C ATOM 458 NZ LYS A 77 75.443 -5.029 -5.631 1.00 0.00 N ATOM 0 H LYS A 77 70.970 -3.001 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 77 70.798 -4.496 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.999 -4.845 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.262 -3.113 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 77 73.065 -3.254 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 77 73.022 -4.998 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 77 75.275 -3.196 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 77 75.311 -4.159 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 77 76.410 -5.580 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 77 74.767 -6.170 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 74.726 -5.608 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 75.242 -4.022 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 76.384 -5.260 -6.008 1.00 0.00 H new ATOM 472 N ILE A 78 69.980 -2.351 -3.147 1.00 0.00 N ATOM 473 CA ILE A 78 69.581 -1.124 -2.471 1.00 0.00 C ATOM 474 C ILE A 78 70.477 -0.841 -1.270 1.00 0.00 C ATOM 475 O ILE A 78 70.404 -1.530 -0.254 1.00 0.00 O ATOM 476 CB ILE A 78 68.115 -1.193 -2.007 1.00 0.00 C ATOM 477 CG1 ILE A 78 67.214 -1.652 -3.154 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.661 0.161 -1.479 1.00 0.00 C ATOM 479 CD1 ILE A 78 65.878 -2.195 -2.695 1.00 0.00 C ATOM 0 H ILE A 78 69.452 -3.177 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 78 69.686 -0.314 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 78 68.040 -1.920 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 78 67.043 -0.813 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 78 67.732 -2.421 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.622 0.096 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.287 0.451 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.748 0.907 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.292 -2.501 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 78 66.039 -3.054 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.339 -1.421 -2.148 1.00 0.00 H new ATOM 491 N THR A 79 71.322 0.177 -1.396 1.00 0.00 N ATOM 492 CA THR A 79 72.235 0.550 -0.322 1.00 0.00 C ATOM 493 C THR A 79 71.738 1.790 0.418 1.00 0.00 C ATOM 494 O THR A 79 72.518 2.491 1.063 1.00 0.00 O ATOM 495 CB THR A 79 73.636 0.805 -0.881 1.00 0.00 C ATOM 496 OG1 THR A 79 74.554 1.065 0.164 1.00 0.00 O ATOM 497 CG2 THR A 79 73.692 1.972 -1.843 1.00 0.00 C ATOM 0 H THR A 79 71.393 0.758 -2.231 1.00 0.00 H new ATOM 0 HA THR A 79 72.276 -0.278 0.385 1.00 0.00 H new ATOM 0 HB THR A 79 73.901 -0.104 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 79 74.155 1.694 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.713 2.099 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.031 1.779 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.372 2.880 -1.332 1.00 0.00 H new ATOM 505 N ARG A 80 70.437 2.054 0.327 1.00 0.00 N ATOM 506 CA ARG A 80 69.846 3.208 0.993 1.00 0.00 C ATOM 507 C ARG A 80 69.911 3.048 2.508 1.00 0.00 C ATOM 508 O ARG A 80 69.294 2.145 3.074 1.00 0.00 O ATOM 509 CB ARG A 80 68.393 3.392 0.547 1.00 0.00 C ATOM 510 CG ARG A 80 67.681 4.543 1.244 1.00 0.00 C ATOM 511 CD ARG A 80 67.315 5.653 0.271 1.00 0.00 C ATOM 512 NE ARG A 80 66.450 5.177 -0.807 1.00 0.00 N ATOM 513 CZ ARG A 80 66.875 4.876 -2.033 1.00 0.00 C ATOM 514 NH1 ARG A 80 68.161 4.985 -2.349 1.00 0.00 N ATOM 515 NH2 ARG A 80 66.010 4.459 -2.948 1.00 0.00 N ATOM 0 H ARG A 80 69.775 1.485 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 80 70.417 4.093 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 80 68.371 3.561 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 80 67.844 2.469 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 80 66.778 4.172 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 80 68.322 4.945 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 80 66.813 6.456 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 80 68.225 6.076 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 80 65.456 5.068 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 80 68.833 5.302 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 80 68.476 4.752 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 80 65.022 4.369 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 80 66.333 4.228 -3.887 1.00 0.00 H new ATOM 529 N THR A 81 70.664 3.929 3.163 1.00 0.00 N ATOM 530 CA THR A 81 70.808 3.882 4.614 1.00 0.00 C ATOM 531 C THR A 81 69.445 3.923 5.301 1.00 0.00 C ATOM 532 O THR A 81 68.452 4.346 4.708 1.00 0.00 O ATOM 533 CB THR A 81 71.675 5.044 5.103 1.00 0.00 C ATOM 534 OG1 THR A 81 71.219 6.273 4.564 1.00 0.00 O ATOM 535 CG2 THR A 81 73.136 4.894 4.738 1.00 0.00 C ATOM 0 H THR A 81 71.183 4.682 2.712 1.00 0.00 H new ATOM 0 HA THR A 81 71.296 2.942 4.872 1.00 0.00 H new ATOM 0 HB THR A 81 71.586 5.034 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.973 6.894 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.695 5.751 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 81 73.530 3.980 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 81 73.237 4.843 3.654 1.00 0.00 H new ATOM 543 N LYS A 82 69.407 3.474 6.550 1.00 0.00 N ATOM 544 CA LYS A 82 68.167 3.452 7.322 1.00 0.00 C ATOM 545 C LYS A 82 67.507 4.829 7.352 1.00 0.00 C ATOM 546 O LYS A 82 66.309 4.958 7.102 1.00 0.00 O ATOM 547 CB LYS A 82 68.439 2.973 8.750 1.00 0.00 C ATOM 548 CG LYS A 82 69.697 3.567 9.369 1.00 0.00 C ATOM 549 CD LYS A 82 70.659 2.486 9.837 1.00 0.00 C ATOM 550 CE LYS A 82 70.619 2.323 11.349 1.00 0.00 C ATOM 551 NZ LYS A 82 70.781 3.625 12.052 1.00 0.00 N ATOM 0 H LYS A 82 70.221 3.119 7.052 1.00 0.00 H new ATOM 0 HA LYS A 82 67.483 2.757 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 82 67.583 3.225 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 82 68.524 1.886 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 82 70.195 4.206 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 82 69.423 4.200 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 82 70.404 1.539 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 82 71.672 2.738 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 82 69.672 1.869 11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 82 71.409 1.641 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 71.197 3.463 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 71.407 4.243 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 69.852 4.080 12.159 1.00 0.00 H new ATOM 565 N GLU A 83 68.293 5.854 7.665 1.00 0.00 N ATOM 566 CA GLU A 83 67.781 7.218 7.733 1.00 0.00 C ATOM 567 C GLU A 83 67.361 7.719 6.352 1.00 0.00 C ATOM 568 O GLU A 83 66.360 8.420 6.215 1.00 0.00 O ATOM 569 CB GLU A 83 68.837 8.152 8.326 1.00 0.00 C ATOM 570 CG GLU A 83 68.849 8.167 9.846 1.00 0.00 C ATOM 571 CD GLU A 83 69.901 7.245 10.430 1.00 0.00 C ATOM 572 OE1 GLU A 83 71.015 7.187 9.870 1.00 0.00 O ATOM 573 OE2 GLU A 83 69.611 6.583 11.448 1.00 0.00 O ATOM 0 H GLU A 83 69.287 5.766 7.876 1.00 0.00 H new ATOM 0 HA GLU A 83 66.902 7.214 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.821 7.850 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 83 68.661 9.164 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.029 9.184 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.867 7.872 10.216 1.00 0.00 H new ATOM 580 N GLU A 84 68.135 7.355 5.335 1.00 0.00 N ATOM 581 CA GLU A 84 67.846 7.773 3.966 1.00 0.00 C ATOM 582 C GLU A 84 66.459 7.309 3.531 1.00 0.00 C ATOM 583 O GLU A 84 65.745 8.030 2.836 1.00 0.00 O ATOM 584 CB GLU A 84 68.903 7.219 3.008 1.00 0.00 C ATOM 585 CG GLU A 84 70.053 8.179 2.751 1.00 0.00 C ATOM 586 CD GLU A 84 70.953 7.723 1.620 1.00 0.00 C ATOM 587 OE1 GLU A 84 70.442 7.524 0.497 1.00 0.00 O ATOM 588 OE2 GLU A 84 72.169 7.563 1.857 1.00 0.00 O ATOM 0 H GLU A 84 68.966 6.772 5.432 1.00 0.00 H new ATOM 0 HA GLU A 84 67.869 8.862 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.300 6.290 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.428 6.972 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 84 69.652 9.165 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 84 70.644 8.284 3.661 1.00 0.00 H new ATOM 595 N ALA A 85 66.084 6.102 3.942 1.00 0.00 N ATOM 596 CA ALA A 85 64.784 5.545 3.588 1.00 0.00 C ATOM 597 C ALA A 85 63.648 6.406 4.132 1.00 0.00 C ATOM 598 O ALA A 85 62.833 6.926 3.371 1.00 0.00 O ATOM 599 CB ALA A 85 64.664 4.120 4.109 1.00 0.00 C ATOM 0 H ALA A 85 66.662 5.492 4.520 1.00 0.00 H new ATOM 0 HA ALA A 85 64.705 5.533 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 85 63.689 3.715 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 85 65.448 3.504 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 85 64.769 4.119 5.194 1.00 0.00 H new ATOM 605 N LEU A 86 63.600 6.549 5.452 1.00 0.00 N ATOM 606 CA LEU A 86 62.561 7.343 6.099 1.00 0.00 C ATOM 607 C LEU A 86 62.647 8.808 5.680 1.00 0.00 C ATOM 608 O LEU A 86 61.632 9.495 5.575 1.00 0.00 O ATOM 609 CB LEU A 86 62.679 7.224 7.621 1.00 0.00 C ATOM 610 CG LEU A 86 61.368 6.926 8.350 1.00 0.00 C ATOM 611 CD1 LEU A 86 61.590 6.895 9.854 1.00 0.00 C ATOM 612 CD2 LEU A 86 60.309 7.957 7.984 1.00 0.00 C ATOM 0 H LEU A 86 64.269 6.125 6.095 1.00 0.00 H new ATOM 0 HA LEU A 86 61.592 6.956 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 86 63.394 6.435 7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 86 63.091 8.154 8.012 1.00 0.00 H new ATOM 0 HG LEU A 86 61.013 5.944 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.647 6.682 10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 86 62.315 6.119 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 86 61.967 7.862 10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 86 59.383 7.730 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 86 60.655 8.951 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 86 60.131 7.929 6.909 1.00 0.00 H new ATOM 624 N GLU A 87 63.868 9.282 5.447 1.00 0.00 N ATOM 625 CA GLU A 87 64.088 10.667 5.042 1.00 0.00 C ATOM 626 C GLU A 87 63.319 10.999 3.766 1.00 0.00 C ATOM 627 O GLU A 87 62.820 12.111 3.602 1.00 0.00 O ATOM 628 CB GLU A 87 65.581 10.926 4.833 1.00 0.00 C ATOM 629 CG GLU A 87 65.903 12.359 4.444 1.00 0.00 C ATOM 630 CD GLU A 87 67.225 12.482 3.713 1.00 0.00 C ATOM 631 OE1 GLU A 87 67.476 11.670 2.798 1.00 0.00 O ATOM 632 OE2 GLU A 87 68.011 13.390 4.056 1.00 0.00 O ATOM 0 H GLU A 87 64.720 8.727 5.532 1.00 0.00 H new ATOM 0 HA GLU A 87 63.719 11.312 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.116 10.679 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 87 65.952 10.256 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 87 65.105 12.748 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 87 65.929 12.978 5.341 1.00 0.00 H new ATOM 639 N LEU A 88 63.229 10.027 2.864 1.00 0.00 N ATOM 640 CA LEU A 88 62.522 10.218 1.602 1.00 0.00 C ATOM 641 C LEU A 88 61.013 10.145 1.808 1.00 0.00 C ATOM 642 O LEU A 88 60.267 10.992 1.317 1.00 0.00 O ATOM 643 CB LEU A 88 62.961 9.163 0.586 1.00 0.00 C ATOM 644 CG LEU A 88 64.428 9.241 0.163 1.00 0.00 C ATOM 645 CD1 LEU A 88 64.779 8.085 -0.761 1.00 0.00 C ATOM 646 CD2 LEU A 88 64.717 10.572 -0.513 1.00 0.00 C ATOM 0 H LEU A 88 63.636 9.100 2.983 1.00 0.00 H new ATOM 0 HA LEU A 88 62.770 11.208 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 88 62.772 8.175 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 88 62.337 9.255 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 88 65.049 9.167 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 88 65.827 8.157 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 88 64.610 7.141 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 88 64.152 8.127 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 88 65.766 10.610 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 88 64.088 10.675 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 88 64.505 11.386 0.180 1.00 0.00 H new ATOM 658 N ILE A 89 60.572 9.127 2.539 1.00 0.00 N ATOM 659 CA ILE A 89 59.153 8.936 2.815 1.00 0.00 C ATOM 660 C ILE A 89 58.554 10.179 3.479 1.00 0.00 C ATOM 661 O ILE A 89 57.505 10.672 3.061 1.00 0.00 O ATOM 662 CB ILE A 89 58.934 7.675 3.697 1.00 0.00 C ATOM 663 CG1 ILE A 89 57.944 6.717 3.028 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.468 8.034 5.105 1.00 0.00 C ATOM 665 CD1 ILE A 89 58.532 5.960 1.860 1.00 0.00 C ATOM 0 H ILE A 89 61.179 8.419 2.952 1.00 0.00 H new ATOM 0 HA ILE A 89 58.638 8.782 1.867 1.00 0.00 H new ATOM 0 HB ILE A 89 59.898 7.175 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 89 57.584 6.003 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.078 7.283 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.328 7.122 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.218 8.660 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 89 57.524 8.577 5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 89 57.775 5.301 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 89 58.866 6.666 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 89 59.380 5.366 2.201 1.00 0.00 H new ATOM 677 N ASN A 90 59.232 10.685 4.505 1.00 0.00 N ATOM 678 CA ASN A 90 58.769 11.875 5.215 1.00 0.00 C ATOM 679 C ASN A 90 58.839 13.094 4.305 1.00 0.00 C ATOM 680 O ASN A 90 57.872 13.844 4.181 1.00 0.00 O ATOM 681 CB ASN A 90 59.609 12.109 6.472 1.00 0.00 C ATOM 682 CG ASN A 90 59.079 13.251 7.317 1.00 0.00 C ATOM 683 OD1 ASN A 90 59.359 14.478 6.894 1.00 0.00 O flip ATOM 684 ND2 ASN A 90 58.426 13.032 8.337 1.00 0.00 N flip ATOM 0 H ASN A 90 60.102 10.291 4.863 1.00 0.00 H new ATOM 0 HA ASN A 90 57.732 11.717 5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 90 59.627 11.197 7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 90 60.638 12.321 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 90 58.235 12.072 8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 90 58.076 13.810 8.895 1.00 0.00 H new ATOM 691 N GLY A 91 59.984 13.282 3.656 1.00 0.00 N ATOM 692 CA GLY A 91 60.139 14.405 2.753 1.00 0.00 C ATOM 693 C GLY A 91 59.055 14.417 1.697 1.00 0.00 C ATOM 694 O GLY A 91 58.494 15.465 1.381 1.00 0.00 O ATOM 0 H GLY A 91 60.803 12.679 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.108 15.336 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.116 14.356 2.273 1.00 0.00 H new ATOM 698 N TYR A 92 58.749 13.233 1.168 1.00 0.00 N ATOM 699 CA TYR A 92 57.712 13.085 0.156 1.00 0.00 C ATOM 700 C TYR A 92 56.379 13.610 0.680 1.00 0.00 C ATOM 701 O TYR A 92 55.634 14.279 -0.037 1.00 0.00 O ATOM 702 CB TYR A 92 57.569 11.613 -0.242 1.00 0.00 C ATOM 703 CG TYR A 92 58.766 11.048 -0.977 1.00 0.00 C ATOM 704 CD1 TYR A 92 59.554 11.850 -1.794 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.107 9.707 -0.851 1.00 0.00 C ATOM 706 CE1 TYR A 92 60.646 11.331 -2.464 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.197 9.181 -1.518 1.00 0.00 C ATOM 708 CZ TYR A 92 60.964 9.996 -2.323 1.00 0.00 C ATOM 709 OH TYR A 92 62.051 9.477 -2.988 1.00 0.00 O ATOM 0 H TYR A 92 59.209 12.360 1.427 1.00 0.00 H new ATOM 0 HA TYR A 92 57.999 13.665 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.396 11.021 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 92 56.686 11.503 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.309 12.896 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.510 9.065 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 92 61.248 11.968 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.447 8.136 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 92 61.920 9.574 -3.954 1.00 0.00 H new ATOM 719 N ILE A 93 56.092 13.300 1.941 1.00 0.00 N ATOM 720 CA ILE A 93 54.856 13.733 2.579 1.00 0.00 C ATOM 721 C ILE A 93 54.721 15.257 2.538 1.00 0.00 C ATOM 722 O ILE A 93 53.678 15.787 2.154 1.00 0.00 O ATOM 723 CB ILE A 93 54.789 13.239 4.047 1.00 0.00 C ATOM 724 CG1 ILE A 93 54.411 11.759 4.091 1.00 0.00 C ATOM 725 CG2 ILE A 93 53.798 14.061 4.862 1.00 0.00 C ATOM 726 CD1 ILE A 93 54.563 11.139 5.463 1.00 0.00 C ATOM 0 H ILE A 93 56.703 12.748 2.543 1.00 0.00 H new ATOM 0 HA ILE A 93 54.028 13.294 2.022 1.00 0.00 H new ATOM 0 HB ILE A 93 55.777 13.367 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 93 53.378 11.646 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 93 55.033 11.212 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 93 53.774 13.690 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 93 54.106 15.107 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 93 52.805 13.975 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 93 54.278 10.088 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 93 55.601 11.221 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 93 53.920 11.661 6.172 1.00 0.00 H new ATOM 738 N GLN A 94 55.778 15.950 2.948 1.00 0.00 N ATOM 739 CA GLN A 94 55.781 17.410 2.976 1.00 0.00 C ATOM 740 C GLN A 94 55.559 18.010 1.586 1.00 0.00 C ATOM 741 O GLN A 94 54.638 18.799 1.384 1.00 0.00 O ATOM 742 CB GLN A 94 57.100 17.921 3.557 1.00 0.00 C ATOM 743 CG GLN A 94 57.079 19.401 3.903 1.00 0.00 C ATOM 744 CD GLN A 94 58.236 20.164 3.286 1.00 0.00 C ATOM 745 OE1 GLN A 94 59.397 19.925 3.615 1.00 0.00 O ATOM 746 NE2 GLN A 94 57.920 21.088 2.387 1.00 0.00 N ATOM 0 H GLN A 94 56.648 15.523 3.267 1.00 0.00 H new ATOM 0 HA GLN A 94 54.953 17.727 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 94 57.338 17.350 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 94 57.900 17.735 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 94 56.140 19.836 3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 94 57.109 19.517 4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 94 56.943 21.251 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 94 58.655 21.635 1.938 1.00 0.00 H new ATOM 755 N LYS A 95 56.416 17.641 0.635 1.00 0.00 N ATOM 756 CA LYS A 95 56.318 18.160 -0.734 1.00 0.00 C ATOM 757 C LYS A 95 54.878 18.117 -1.244 1.00 0.00 C ATOM 758 O LYS A 95 54.384 19.084 -1.828 1.00 0.00 O ATOM 759 CB LYS A 95 57.215 17.365 -1.693 1.00 0.00 C ATOM 760 CG LYS A 95 58.465 16.781 -1.051 1.00 0.00 C ATOM 761 CD LYS A 95 59.619 16.707 -2.038 1.00 0.00 C ATOM 762 CE LYS A 95 60.916 17.205 -1.421 1.00 0.00 C ATOM 763 NZ LYS A 95 61.098 16.710 -0.028 1.00 0.00 N ATOM 0 H LYS A 95 57.184 16.987 0.784 1.00 0.00 H new ATOM 0 HA LYS A 95 56.653 19.197 -0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 95 56.632 16.553 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 95 57.514 18.016 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 95 58.755 17.392 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 95 58.247 15.783 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 95 59.747 15.678 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 95 59.383 17.302 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 95 61.757 16.880 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 95 60.923 18.295 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 62.113 16.629 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 60.659 17.377 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 60.649 15.777 0.070 1.00 0.00 H new ATOM 777 N ILE A 96 54.219 16.988 -1.026 1.00 0.00 N ATOM 778 CA ILE A 96 52.841 16.806 -1.464 1.00 0.00 C ATOM 779 C ILE A 96 51.923 17.876 -0.882 1.00 0.00 C ATOM 780 O ILE A 96 51.300 18.638 -1.622 1.00 0.00 O ATOM 781 CB ILE A 96 52.323 15.412 -1.075 1.00 0.00 C ATOM 782 CG1 ILE A 96 53.222 14.348 -1.699 1.00 0.00 C ATOM 783 CG2 ILE A 96 50.879 15.227 -1.524 1.00 0.00 C ATOM 784 CD1 ILE A 96 53.250 13.050 -0.925 1.00 0.00 C ATOM 0 H ILE A 96 54.618 16.181 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 96 52.833 16.899 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 96 52.348 15.312 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 96 52.883 14.148 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 96 54.237 14.739 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 96 50.534 14.233 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 96 50.251 15.980 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 96 50.818 15.335 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 96 53.909 12.341 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 96 53.618 13.236 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 96 52.243 12.635 -0.873 1.00 0.00 H new ATOM 796 N LYS A 97 51.843 17.932 0.441 1.00 0.00 N ATOM 797 CA LYS A 97 50.999 18.917 1.106 1.00 0.00 C ATOM 798 C LYS A 97 51.500 20.336 0.844 1.00 0.00 C ATOM 799 O LYS A 97 50.778 21.307 1.072 1.00 0.00 O ATOM 800 CB LYS A 97 50.941 18.653 2.612 1.00 0.00 C ATOM 801 CG LYS A 97 52.308 18.514 3.262 1.00 0.00 C ATOM 802 CD LYS A 97 52.209 18.511 4.782 1.00 0.00 C ATOM 803 CE LYS A 97 51.250 17.442 5.282 1.00 0.00 C ATOM 804 NZ LYS A 97 51.438 16.146 4.571 1.00 0.00 N ATOM 0 H LYS A 97 52.349 17.311 1.072 1.00 0.00 H new ATOM 0 HA LYS A 97 49.994 18.824 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 97 50.401 19.468 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 97 50.370 17.742 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 97 52.779 17.590 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 97 52.950 19.334 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 97 53.197 18.343 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 97 51.875 19.490 5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 97 51.399 17.293 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 97 50.224 17.784 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 51.355 15.362 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 50.710 16.045 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 52.380 16.125 4.131 1.00 0.00 H new ATOM 818 N SER A 98 52.736 20.455 0.359 1.00 0.00 N ATOM 819 CA SER A 98 53.312 21.761 0.067 1.00 0.00 C ATOM 820 C SER A 98 52.883 22.247 -1.314 1.00 0.00 C ATOM 821 O SER A 98 52.933 23.442 -1.605 1.00 0.00 O ATOM 822 CB SER A 98 54.839 21.699 0.149 1.00 0.00 C ATOM 823 OG SER A 98 55.398 21.217 -1.062 1.00 0.00 O ATOM 0 H SER A 98 53.352 19.666 0.162 1.00 0.00 H new ATOM 0 HA SER A 98 52.945 22.468 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 98 55.235 22.691 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 98 55.136 21.050 0.973 1.00 0.00 H new ATOM 0 HG SER A 98 54.878 20.449 -1.379 1.00 0.00 H new ATOM 829 N GLY A 99 52.473 21.311 -2.165 1.00 0.00 N ATOM 830 CA GLY A 99 52.056 21.662 -3.506 1.00 0.00 C ATOM 831 C GLY A 99 53.222 21.711 -4.474 1.00 0.00 C ATOM 832 O GLY A 99 53.074 22.146 -5.615 1.00 0.00 O ATOM 0 H GLY A 99 52.423 20.316 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 99 51.324 20.936 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 99 51.560 22.632 -3.488 1.00 0.00 H new ATOM 836 N GLU A 100 54.388 21.263 -4.013 1.00 0.00 N ATOM 837 CA GLU A 100 55.585 21.256 -4.839 1.00 0.00 C ATOM 838 C GLU A 100 55.689 19.961 -5.637 1.00 0.00 C ATOM 839 O GLU A 100 55.999 19.980 -6.829 1.00 0.00 O ATOM 840 CB GLU A 100 56.831 21.433 -3.969 1.00 0.00 C ATOM 841 CG GLU A 100 58.130 21.437 -4.760 1.00 0.00 C ATOM 842 CD GLU A 100 59.004 22.635 -4.441 1.00 0.00 C ATOM 843 OE1 GLU A 100 58.532 23.778 -4.620 1.00 0.00 O ATOM 844 OE2 GLU A 100 60.159 22.430 -4.012 1.00 0.00 O ATOM 0 H GLU A 100 54.525 20.900 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 100 55.517 22.088 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 100 56.749 22.369 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 100 56.866 20.631 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 100 58.683 20.522 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 100 57.902 21.432 -5.826 1.00 0.00 H new ATOM 851 N GLU A 101 55.428 18.833 -4.978 1.00 0.00 N ATOM 852 CA GLU A 101 55.498 17.539 -5.647 1.00 0.00 C ATOM 853 C GLU A 101 54.200 16.761 -5.470 1.00 0.00 C ATOM 854 O GLU A 101 53.338 17.145 -4.680 1.00 0.00 O ATOM 855 CB GLU A 101 56.678 16.725 -5.112 1.00 0.00 C ATOM 856 CG GLU A 101 57.946 16.875 -5.938 1.00 0.00 C ATOM 857 CD GLU A 101 58.591 18.237 -5.780 1.00 0.00 C ATOM 858 OE1 GLU A 101 59.336 18.430 -4.796 1.00 0.00 O ATOM 859 OE2 GLU A 101 58.355 19.110 -6.640 1.00 0.00 O ATOM 0 H GLU A 101 55.169 18.790 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 101 55.646 17.718 -6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 101 56.884 17.031 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 101 56.398 15.672 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 101 58.659 16.104 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 101 57.711 16.709 -6.989 1.00 0.00 H new ATOM 866 N ASP A 102 54.061 15.668 -6.216 1.00 0.00 N ATOM 867 CA ASP A 102 52.862 14.842 -6.143 1.00 0.00 C ATOM 868 C ASP A 102 53.201 13.392 -5.824 1.00 0.00 C ATOM 869 O ASP A 102 54.009 12.763 -6.506 1.00 0.00 O ATOM 870 CB ASP A 102 52.077 14.920 -7.454 1.00 0.00 C ATOM 871 CG ASP A 102 52.961 14.773 -8.677 1.00 0.00 C ATOM 872 OD1 ASP A 102 54.190 14.632 -8.512 1.00 0.00 O ATOM 873 OD2 ASP A 102 52.422 14.801 -9.804 1.00 0.00 O ATOM 0 H ASP A 102 54.763 15.335 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 102 52.244 15.230 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 102 51.317 14.139 -7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 102 51.553 15.875 -7.502 1.00 0.00 H new ATOM 878 N PHE A 103 52.564 12.869 -4.780 1.00 0.00 N ATOM 879 CA PHE A 103 52.775 11.490 -4.352 1.00 0.00 C ATOM 880 C PHE A 103 52.701 10.534 -5.536 1.00 0.00 C ATOM 881 O PHE A 103 53.448 9.556 -5.606 1.00 0.00 O ATOM 882 CB PHE A 103 51.723 11.111 -3.311 1.00 0.00 C ATOM 883 CG PHE A 103 51.990 9.809 -2.611 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.822 8.602 -3.270 1.00 0.00 C ATOM 885 CD2 PHE A 103 52.392 9.795 -1.287 1.00 0.00 C ATOM 886 CE1 PHE A 103 52.050 7.405 -2.617 1.00 0.00 C ATOM 887 CE2 PHE A 103 52.623 8.606 -0.630 1.00 0.00 C ATOM 888 CZ PHE A 103 52.453 7.407 -1.295 1.00 0.00 C ATOM 0 H PHE A 103 51.892 13.384 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 103 53.770 11.412 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 103 51.662 11.905 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 103 50.750 11.056 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.510 8.596 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 103 52.527 10.729 -0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 103 51.913 6.470 -3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 103 52.937 8.611 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.635 6.474 -0.783 1.00 0.00 H new ATOM 898 N GLU A 104 51.799 10.824 -6.463 1.00 0.00 N ATOM 899 CA GLU A 104 51.625 9.992 -7.647 1.00 0.00 C ATOM 900 C GLU A 104 52.910 9.950 -8.466 1.00 0.00 C ATOM 901 O GLU A 104 53.486 8.883 -8.681 1.00 0.00 O ATOM 902 CB GLU A 104 50.474 10.521 -8.507 1.00 0.00 C ATOM 903 CG GLU A 104 49.262 10.963 -7.703 1.00 0.00 C ATOM 904 CD GLU A 104 49.150 12.472 -7.601 1.00 0.00 C ATOM 905 OE1 GLU A 104 49.068 13.133 -8.657 1.00 0.00 O ATOM 906 OE2 GLU A 104 49.145 12.991 -6.466 1.00 0.00 O ATOM 0 H GLU A 104 51.175 11.630 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 104 51.385 8.980 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 104 50.832 11.363 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 104 50.170 9.744 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 104 48.359 10.566 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 104 49.320 10.538 -6.701 1.00 0.00 H new ATOM 913 N SER A 105 53.362 11.117 -8.915 1.00 0.00 N ATOM 914 CA SER A 105 54.579 11.200 -9.712 1.00 0.00 C ATOM 915 C SER A 105 55.788 10.796 -8.880 1.00 0.00 C ATOM 916 O SER A 105 56.671 10.084 -9.361 1.00 0.00 O ATOM 917 CB SER A 105 54.768 12.615 -10.260 1.00 0.00 C ATOM 918 OG SER A 105 55.329 12.586 -11.561 1.00 0.00 O ATOM 0 H SER A 105 52.906 12.013 -8.741 1.00 0.00 H new ATOM 0 HA SER A 105 54.485 10.511 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 105 53.808 13.130 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 105 55.417 13.183 -9.593 1.00 0.00 H new ATOM 0 HG SER A 105 55.439 13.502 -11.891 1.00 0.00 H new ATOM 924 N LEU A 106 55.824 11.238 -7.626 1.00 0.00 N ATOM 925 CA LEU A 106 56.930 10.893 -6.744 1.00 0.00 C ATOM 926 C LEU A 106 57.048 9.378 -6.622 1.00 0.00 C ATOM 927 O LEU A 106 58.036 8.784 -7.064 1.00 0.00 O ATOM 928 CB LEU A 106 56.735 11.511 -5.357 1.00 0.00 C ATOM 929 CG LEU A 106 56.766 13.041 -5.307 1.00 0.00 C ATOM 930 CD1 LEU A 106 56.466 13.532 -3.897 1.00 0.00 C ATOM 931 CD2 LEU A 106 58.115 13.567 -5.781 1.00 0.00 C ATOM 0 H LEU A 106 55.108 11.829 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 106 57.848 11.293 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 106 55.779 11.171 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 106 57.511 11.127 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 106 55.996 13.423 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 106 56.492 14.622 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 106 55.477 13.187 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 106 57.214 13.139 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 106 58.116 14.656 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 106 58.904 13.177 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 106 58.291 13.244 -6.807 1.00 0.00 H new ATOM 943 N ALA A 107 56.022 8.759 -6.030 1.00 0.00 N ATOM 944 CA ALA A 107 55.985 7.308 -5.848 1.00 0.00 C ATOM 945 C ALA A 107 56.580 6.582 -7.038 1.00 0.00 C ATOM 946 O ALA A 107 57.489 5.782 -6.887 1.00 0.00 O ATOM 947 CB ALA A 107 54.561 6.831 -5.617 1.00 0.00 C ATOM 0 H ALA A 107 55.202 9.245 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 107 56.587 7.077 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.557 5.749 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 107 54.158 7.308 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.945 7.093 -6.477 1.00 0.00 H new ATOM 953 N SER A 108 56.067 6.867 -8.222 1.00 0.00 N ATOM 954 CA SER A 108 56.564 6.227 -9.431 1.00 0.00 C ATOM 955 C SER A 108 58.095 6.254 -9.491 1.00 0.00 C ATOM 956 O SER A 108 58.742 5.210 -9.571 1.00 0.00 O ATOM 957 CB SER A 108 55.987 6.919 -10.667 1.00 0.00 C ATOM 958 OG SER A 108 56.700 6.553 -11.836 1.00 0.00 O ATOM 0 H SER A 108 55.310 7.534 -8.374 1.00 0.00 H new ATOM 0 HA SER A 108 56.243 5.185 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 108 54.936 6.652 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 108 56.029 8.000 -10.535 1.00 0.00 H new ATOM 0 HG SER A 108 56.311 7.007 -12.612 1.00 0.00 H new ATOM 964 N GLN A 109 58.665 7.460 -9.453 1.00 0.00 N ATOM 965 CA GLN A 109 60.116 7.637 -9.532 1.00 0.00 C ATOM 966 C GLN A 109 60.848 7.103 -8.306 1.00 0.00 C ATOM 967 O GLN A 109 62.078 7.048 -8.291 1.00 0.00 O ATOM 968 CB GLN A 109 60.451 9.117 -9.709 1.00 0.00 C ATOM 969 CG GLN A 109 60.053 9.676 -11.065 1.00 0.00 C ATOM 970 CD GLN A 109 60.741 10.990 -11.380 1.00 0.00 C ATOM 971 OE1 GLN A 109 61.181 11.218 -12.506 1.00 0.00 O ATOM 972 NE2 GLN A 109 60.839 11.861 -10.381 1.00 0.00 N ATOM 0 H GLN A 109 58.142 8.331 -9.368 1.00 0.00 H new ATOM 0 HA GLN A 109 60.454 7.060 -10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.950 9.690 -8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 109 61.523 9.257 -9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 109 60.296 8.948 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 109 58.973 9.820 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 109 60.459 11.629 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 109 61.294 12.761 -10.532 1.00 0.00 H new ATOM 981 N PHE A 110 60.108 6.726 -7.278 1.00 0.00 N ATOM 982 CA PHE A 110 60.722 6.218 -6.060 1.00 0.00 C ATOM 983 C PHE A 110 60.033 4.951 -5.563 1.00 0.00 C ATOM 984 O PHE A 110 60.351 4.449 -4.486 1.00 0.00 O ATOM 985 CB PHE A 110 60.695 7.296 -4.979 1.00 0.00 C ATOM 986 CG PHE A 110 61.225 8.620 -5.453 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.542 8.746 -5.869 1.00 0.00 C ATOM 988 CD2 PHE A 110 60.409 9.739 -5.484 1.00 0.00 C ATOM 989 CE1 PHE A 110 63.033 9.959 -6.305 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.895 10.957 -5.922 1.00 0.00 C ATOM 991 CZ PHE A 110 62.210 11.067 -6.331 1.00 0.00 C ATOM 0 H PHE A 110 59.089 6.761 -7.260 1.00 0.00 H new ATOM 0 HA PHE A 110 61.756 5.958 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.671 7.426 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.283 6.961 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 110 63.191 7.883 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 110 59.381 9.659 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 110 64.061 10.042 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 110 60.248 11.821 -5.944 1.00 0.00 H new ATOM 0 HZ PHE A 110 62.593 12.018 -6.670 1.00 0.00 H new ATOM 1001 N SER A 111 59.076 4.444 -6.335 1.00 0.00 N ATOM 1002 CA SER A 111 58.343 3.249 -5.939 1.00 0.00 C ATOM 1003 C SER A 111 59.165 1.986 -6.159 1.00 0.00 C ATOM 1004 O SER A 111 59.237 1.469 -7.272 1.00 0.00 O ATOM 1005 CB SER A 111 57.028 3.150 -6.713 1.00 0.00 C ATOM 1006 OG SER A 111 57.218 3.470 -8.081 1.00 0.00 O ATOM 0 H SER A 111 58.793 4.839 -7.231 1.00 0.00 H new ATOM 0 HA SER A 111 58.132 3.334 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 111 56.625 2.141 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 111 56.293 3.826 -6.276 1.00 0.00 H new ATOM 0 HG SER A 111 58.166 3.376 -8.310 1.00 0.00 H new ATOM 1012 N ASP A 112 59.763 1.477 -5.088 1.00 0.00 N ATOM 1013 CA ASP A 112 60.550 0.255 -5.175 1.00 0.00 C ATOM 1014 C ASP A 112 59.632 -0.950 -5.377 1.00 0.00 C ATOM 1015 O ASP A 112 60.092 -2.050 -5.687 1.00 0.00 O ATOM 1016 CB ASP A 112 61.390 0.070 -3.909 1.00 0.00 C ATOM 1017 CG ASP A 112 62.777 0.667 -4.042 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.979 1.504 -4.947 1.00 0.00 O ATOM 1019 OD2 ASP A 112 63.661 0.300 -3.240 1.00 0.00 O ATOM 0 H ASP A 112 59.718 1.889 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 112 61.221 0.334 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.878 0.533 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 112 61.475 -0.993 -3.685 1.00 0.00 H new ATOM 1024 N CYS A 113 58.330 -0.730 -5.198 1.00 0.00 N ATOM 1025 CA CYS A 113 57.341 -1.786 -5.360 1.00 0.00 C ATOM 1026 C CYS A 113 56.710 -1.737 -6.747 1.00 0.00 C ATOM 1027 O CYS A 113 56.848 -0.752 -7.477 1.00 0.00 O ATOM 1028 CB CYS A 113 56.251 -1.651 -4.292 1.00 0.00 C ATOM 1029 SG CYS A 113 55.427 -3.206 -3.874 1.00 0.00 S ATOM 0 H CYS A 113 57.938 0.175 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 113 57.847 -2.745 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 113 56.693 -1.233 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 113 55.503 -0.938 -4.640 1.00 0.00 H new ATOM 0 HG CYS A 113 54.526 -2.988 -2.963 1.00 0.00 H new ATOM 1035 N SER A 114 56.001 -2.804 -7.100 1.00 0.00 N ATOM 1036 CA SER A 114 55.335 -2.887 -8.394 1.00 0.00 C ATOM 1037 C SER A 114 54.260 -1.810 -8.546 1.00 0.00 C ATOM 1038 O SER A 114 53.596 -1.731 -9.581 1.00 0.00 O ATOM 1039 CB SER A 114 54.715 -4.272 -8.578 1.00 0.00 C ATOM 1040 OG SER A 114 53.539 -4.412 -7.799 1.00 0.00 O ATOM 0 H SER A 114 55.873 -3.624 -6.507 1.00 0.00 H new ATOM 0 HA SER A 114 56.087 -2.720 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.479 -4.431 -9.630 1.00 0.00 H new ATOM 0 HB3 SER A 114 55.437 -5.038 -8.294 1.00 0.00 H new ATOM 0 HG SER A 114 53.161 -5.306 -7.936 1.00 0.00 H new ATOM 1046 N SER A 115 54.090 -0.975 -7.521 1.00 0.00 N ATOM 1047 CA SER A 115 53.100 0.090 -7.562 1.00 0.00 C ATOM 1048 C SER A 115 53.374 1.022 -8.736 1.00 0.00 C ATOM 1049 O SER A 115 52.461 1.651 -9.267 1.00 0.00 O ATOM 1050 CB SER A 115 53.112 0.880 -6.251 1.00 0.00 C ATOM 1051 OG SER A 115 54.074 1.919 -6.286 1.00 0.00 O ATOM 0 H SER A 115 54.627 -1.019 -6.655 1.00 0.00 H new ATOM 0 HA SER A 115 52.115 -0.359 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 115 52.124 1.302 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 115 53.329 0.208 -5.421 1.00 0.00 H new ATOM 0 HG SER A 115 54.172 2.304 -5.390 1.00 0.00 H new ATOM 1057 N ALA A 116 54.643 1.103 -9.137 1.00 0.00 N ATOM 1058 CA ALA A 116 55.050 1.952 -10.255 1.00 0.00 C ATOM 1059 C ALA A 116 54.070 1.855 -11.424 1.00 0.00 C ATOM 1060 O ALA A 116 53.831 2.838 -12.126 1.00 0.00 O ATOM 1061 CB ALA A 116 56.450 1.580 -10.711 1.00 0.00 C ATOM 0 H ALA A 116 55.409 0.589 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 116 55.047 2.985 -9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.743 2.219 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 116 57.149 1.716 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 116 56.464 0.538 -11.030 1.00 0.00 H new ATOM 1067 N LYS A 117 53.502 0.667 -11.628 1.00 0.00 N ATOM 1068 CA LYS A 117 52.547 0.459 -12.713 1.00 0.00 C ATOM 1069 C LYS A 117 51.436 1.502 -12.650 1.00 0.00 C ATOM 1070 O LYS A 117 50.872 1.893 -13.674 1.00 0.00 O ATOM 1071 CB LYS A 117 51.951 -0.953 -12.643 1.00 0.00 C ATOM 1072 CG LYS A 117 51.064 -1.186 -11.431 1.00 0.00 C ATOM 1073 CD LYS A 117 49.656 -1.601 -11.837 1.00 0.00 C ATOM 1074 CE LYS A 117 48.911 -0.458 -12.507 1.00 0.00 C ATOM 1075 NZ LYS A 117 49.150 -0.424 -13.977 1.00 0.00 N ATOM 0 H LYS A 117 53.685 -0.160 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 117 53.075 0.566 -13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 117 51.371 -1.137 -13.547 1.00 0.00 H new ATOM 0 HB3 LYS A 117 52.763 -1.680 -12.632 1.00 0.00 H new ATOM 0 HG2 LYS A 117 51.504 -1.959 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 117 51.017 -0.276 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 117 49.708 -2.451 -12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 117 49.104 -1.930 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 117 47.843 -0.559 -12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 117 49.226 0.488 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 48.243 -0.309 -14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 49.776 0.374 -14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 49.598 -1.313 -14.277 1.00 0.00 H new ATOM 1089 N ALA A 118 51.141 1.957 -11.439 1.00 0.00 N ATOM 1090 CA ALA A 118 50.117 2.967 -11.220 1.00 0.00 C ATOM 1091 C ALA A 118 50.685 4.136 -10.426 1.00 0.00 C ATOM 1092 O ALA A 118 49.958 4.820 -9.703 1.00 0.00 O ATOM 1093 CB ALA A 118 48.919 2.362 -10.502 1.00 0.00 C ATOM 0 H ALA A 118 51.602 1.638 -10.587 1.00 0.00 H new ATOM 0 HA ALA A 118 49.784 3.340 -12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 118 48.162 3.131 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 118 48.500 1.558 -11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 118 49.236 1.964 -9.538 1.00 0.00 H new ATOM 1099 N ARG A 119 51.994 4.357 -10.563 1.00 0.00 N ATOM 1100 CA ARG A 119 52.678 5.441 -9.867 1.00 0.00 C ATOM 1101 C ARG A 119 52.247 5.530 -8.402 1.00 0.00 C ATOM 1102 O ARG A 119 52.058 6.621 -7.863 1.00 0.00 O ATOM 1103 CB ARG A 119 52.432 6.770 -10.587 1.00 0.00 C ATOM 1104 CG ARG A 119 51.000 7.271 -10.496 1.00 0.00 C ATOM 1105 CD ARG A 119 50.818 8.575 -11.254 1.00 0.00 C ATOM 1106 NE ARG A 119 50.985 8.394 -12.694 1.00 0.00 N ATOM 1107 CZ ARG A 119 50.317 9.087 -13.618 1.00 0.00 C ATOM 1108 NH1 ARG A 119 49.447 10.023 -13.259 1.00 0.00 N ATOM 1109 NH2 ARG A 119 50.528 8.848 -14.905 1.00 0.00 N ATOM 0 H ARG A 119 52.603 3.793 -11.155 1.00 0.00 H new ATOM 0 HA ARG A 119 53.747 5.227 -9.879 1.00 0.00 H new ATOM 0 HB2 ARG A 119 53.097 7.526 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 119 52.699 6.656 -11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 119 50.323 6.517 -10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 119 50.730 7.416 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 119 49.826 8.978 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 119 51.539 9.308 -10.894 1.00 0.00 H new ATOM 0 HE ARG A 119 51.654 7.694 -13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 119 49.285 10.217 -12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 119 48.940 10.548 -13.971 1.00 0.00 H new ATOM 0 HH21 ARG A 119 51.200 8.135 -15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 119 50.018 9.377 -15.612 1.00 0.00 H new ATOM 1123 N GLY A 120 52.107 4.371 -7.762 1.00 0.00 N ATOM 1124 CA GLY A 120 51.712 4.331 -6.364 1.00 0.00 C ATOM 1125 C GLY A 120 50.240 4.030 -6.175 1.00 0.00 C ATOM 1126 O GLY A 120 49.858 3.352 -5.221 1.00 0.00 O ATOM 0 H GLY A 120 52.261 3.457 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.302 3.574 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 120 51.944 5.289 -5.899 1.00 0.00 H new ATOM 1130 N ASP A 121 49.409 4.534 -7.081 1.00 0.00 N ATOM 1131 CA ASP A 121 47.969 4.311 -7.003 1.00 0.00 C ATOM 1132 C ASP A 121 47.651 2.823 -6.881 1.00 0.00 C ATOM 1133 O ASP A 121 47.752 2.076 -7.853 1.00 0.00 O ATOM 1134 CB ASP A 121 47.273 4.895 -8.234 1.00 0.00 C ATOM 1135 CG ASP A 121 45.900 5.450 -7.912 1.00 0.00 C ATOM 1136 OD1 ASP A 121 45.070 4.696 -7.358 1.00 0.00 O ATOM 1137 OD2 ASP A 121 45.652 6.635 -8.214 1.00 0.00 O ATOM 0 H ASP A 121 49.707 5.099 -7.877 1.00 0.00 H new ATOM 0 HA ASP A 121 47.598 4.816 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.892 5.686 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 121 47.180 4.122 -8.996 1.00 0.00 H new ATOM 1142 N LEU A 122 47.269 2.401 -5.681 1.00 0.00 N ATOM 1143 CA LEU A 122 46.938 1.002 -5.434 1.00 0.00 C ATOM 1144 C LEU A 122 45.455 0.730 -5.683 1.00 0.00 C ATOM 1145 O LEU A 122 44.938 -0.321 -5.308 1.00 0.00 O ATOM 1146 CB LEU A 122 47.302 0.615 -3.998 1.00 0.00 C ATOM 1147 CG LEU A 122 48.748 0.160 -3.795 1.00 0.00 C ATOM 1148 CD1 LEU A 122 48.971 -0.282 -2.356 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.093 -0.965 -4.760 1.00 0.00 C ATOM 0 H LEU A 122 47.181 3.006 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 122 47.519 0.396 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 122 47.112 1.470 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 122 46.637 -0.185 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 122 49.407 1.003 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 122 50.005 -0.602 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 122 48.764 0.551 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 122 48.303 -1.111 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 122 50.126 -1.276 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 122 48.428 -1.811 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 122 48.973 -0.615 -5.785 1.00 0.00 H new ATOM 1161 N GLY A 123 44.774 1.681 -6.318 1.00 0.00 N ATOM 1162 CA GLY A 123 43.360 1.517 -6.601 1.00 0.00 C ATOM 1163 C GLY A 123 42.545 1.258 -5.350 1.00 0.00 C ATOM 1164 O GLY A 123 43.046 1.396 -4.235 1.00 0.00 O ATOM 0 H GLY A 123 45.177 2.561 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.985 2.413 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 123 43.225 0.689 -7.297 1.00 0.00 H new ATOM 1168 N ALA A 124 41.285 0.879 -5.537 1.00 0.00 N ATOM 1169 CA ALA A 124 40.399 0.598 -4.415 1.00 0.00 C ATOM 1170 C ALA A 124 40.539 -0.850 -3.961 1.00 0.00 C ATOM 1171 O ALA A 124 40.320 -1.778 -4.738 1.00 0.00 O ATOM 1172 CB ALA A 124 38.957 0.900 -4.795 1.00 0.00 C ATOM 0 H ALA A 124 40.855 0.760 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 124 40.685 1.242 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 124 38.305 0.686 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.865 1.951 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.666 0.279 -5.643 1.00 0.00 H new ATOM 1178 N PHE A 125 40.903 -1.036 -2.694 1.00 0.00 N ATOM 1179 CA PHE A 125 41.068 -2.374 -2.141 1.00 0.00 C ATOM 1180 C PHE A 125 40.127 -2.597 -0.970 1.00 0.00 C ATOM 1181 O PHE A 125 39.387 -1.700 -0.568 1.00 0.00 O ATOM 1182 CB PHE A 125 42.506 -2.601 -1.680 1.00 0.00 C ATOM 1183 CG PHE A 125 43.073 -1.455 -0.893 1.00 0.00 C ATOM 1184 CD1 PHE A 125 43.670 -0.381 -1.534 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.009 -1.452 0.492 1.00 0.00 C ATOM 1186 CE1 PHE A 125 44.191 0.675 -0.810 1.00 0.00 C ATOM 1187 CE2 PHE A 125 43.527 -0.400 1.222 1.00 0.00 C ATOM 1188 CZ PHE A 125 44.118 0.665 0.572 1.00 0.00 C ATOM 0 H PHE A 125 41.088 -0.279 -2.035 1.00 0.00 H new ATOM 0 HA PHE A 125 40.830 -3.085 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.545 -3.504 -1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 125 43.135 -2.778 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 125 43.729 -0.369 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 125 42.548 -2.282 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 125 44.654 1.506 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 125 43.470 -0.411 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.523 1.489 1.141 1.00 0.00 H new ATOM 1198 N SER A 126 40.169 -3.802 -0.427 1.00 0.00 N ATOM 1199 CA SER A 126 39.326 -4.160 0.707 1.00 0.00 C ATOM 1200 C SER A 126 40.174 -4.505 1.925 1.00 0.00 C ATOM 1201 O SER A 126 41.110 -5.300 1.834 1.00 0.00 O ATOM 1202 CB SER A 126 38.422 -5.339 0.348 1.00 0.00 C ATOM 1203 OG SER A 126 37.454 -4.964 -0.617 1.00 0.00 O ATOM 0 H SER A 126 40.779 -4.552 -0.752 1.00 0.00 H new ATOM 0 HA SER A 126 38.704 -3.299 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 126 39.026 -6.160 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.923 -5.705 1.245 1.00 0.00 H new ATOM 0 HG SER A 126 36.889 -5.736 -0.831 1.00 0.00 H new ATOM 1209 N ARG A 127 39.839 -3.899 3.062 1.00 0.00 N ATOM 1210 CA ARG A 127 40.568 -4.135 4.310 1.00 0.00 C ATOM 1211 C ARG A 127 40.923 -5.612 4.479 1.00 0.00 C ATOM 1212 O ARG A 127 40.172 -6.494 4.062 1.00 0.00 O ATOM 1213 CB ARG A 127 39.749 -3.659 5.516 1.00 0.00 C ATOM 1214 CG ARG A 127 38.254 -3.932 5.407 1.00 0.00 C ATOM 1215 CD ARG A 127 37.897 -5.322 5.908 1.00 0.00 C ATOM 1216 NE ARG A 127 38.229 -5.500 7.320 1.00 0.00 N ATOM 1217 CZ ARG A 127 37.843 -6.546 8.045 1.00 0.00 C ATOM 1218 NH1 ARG A 127 37.111 -7.509 7.496 1.00 0.00 N ATOM 1219 NH2 ARG A 127 38.188 -6.632 9.321 1.00 0.00 N ATOM 0 H ARG A 127 39.066 -3.239 3.147 1.00 0.00 H new ATOM 0 HA ARG A 127 41.494 -3.562 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 127 40.131 -4.145 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 127 39.902 -2.587 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 127 37.705 -3.186 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 127 37.940 -3.828 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 127 36.831 -5.497 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 127 38.426 -6.068 5.315 1.00 0.00 H new ATOM 0 HE ARG A 127 38.789 -4.780 7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 127 36.842 -7.448 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 127 36.818 -8.309 8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 127 38.750 -5.896 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 127 37.892 -7.434 9.876 1.00 0.00 H new ATOM 1233 N GLY A 128 42.077 -5.872 5.086 1.00 0.00 N ATOM 1234 CA GLY A 128 42.514 -7.240 5.296 1.00 0.00 C ATOM 1235 C GLY A 128 43.331 -7.785 4.137 1.00 0.00 C ATOM 1236 O GLY A 128 43.742 -8.945 4.155 1.00 0.00 O ATOM 0 H GLY A 128 42.717 -5.159 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.109 -7.290 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 128 41.642 -7.875 5.449 1.00 0.00 H new ATOM 1240 N GLN A 129 43.567 -6.951 3.127 1.00 0.00 N ATOM 1241 CA GLN A 129 44.340 -7.365 1.961 1.00 0.00 C ATOM 1242 C GLN A 129 45.785 -6.887 2.065 1.00 0.00 C ATOM 1243 O GLN A 129 46.721 -7.666 1.889 1.00 0.00 O ATOM 1244 CB GLN A 129 43.702 -6.824 0.679 1.00 0.00 C ATOM 1245 CG GLN A 129 42.514 -7.644 0.199 1.00 0.00 C ATOM 1246 CD GLN A 129 42.914 -9.023 -0.286 1.00 0.00 C ATOM 1247 OE1 GLN A 129 43.358 -9.864 0.495 1.00 0.00 O ATOM 1248 NE2 GLN A 129 42.758 -9.261 -1.584 1.00 0.00 N ATOM 0 H GLN A 129 43.235 -5.987 3.093 1.00 0.00 H new ATOM 0 HA GLN A 129 44.339 -8.454 1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 129 43.379 -5.797 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 129 44.455 -6.795 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 129 41.794 -7.744 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 129 42.012 -7.111 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 129 42.386 -8.534 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 129 43.010 -10.171 -1.970 1.00 0.00 H new ATOM 1257 N MET A 130 45.958 -5.600 2.350 1.00 0.00 N ATOM 1258 CA MET A 130 47.290 -5.020 2.479 1.00 0.00 C ATOM 1259 C MET A 130 47.839 -5.232 3.886 1.00 0.00 C ATOM 1260 O MET A 130 47.107 -5.627 4.793 1.00 0.00 O ATOM 1261 CB MET A 130 47.248 -3.525 2.155 1.00 0.00 C ATOM 1262 CG MET A 130 47.648 -3.199 0.725 1.00 0.00 C ATOM 1263 SD MET A 130 46.225 -2.964 -0.357 1.00 0.00 S ATOM 1264 CE MET A 130 45.873 -4.657 -0.825 1.00 0.00 C ATOM 0 H MET A 130 45.194 -4.940 2.496 1.00 0.00 H new ATOM 0 HA MET A 130 47.951 -5.521 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 130 46.240 -3.151 2.335 1.00 0.00 H new ATOM 0 HB3 MET A 130 47.912 -2.995 2.838 1.00 0.00 H new ATOM 0 HG2 MET A 130 48.257 -2.295 0.719 1.00 0.00 H new ATOM 0 HG3 MET A 130 48.269 -4.004 0.333 1.00 0.00 H new ATOM 0 HE1 MET A 130 44.814 -4.864 -0.672 1.00 0.00 H new ATOM 0 HE2 MET A 130 46.124 -4.804 -1.876 1.00 0.00 H new ATOM 0 HE3 MET A 130 46.467 -5.335 -0.212 1.00 0.00 H new ATOM 1274 N GLN A 131 49.135 -4.971 4.060 1.00 0.00 N ATOM 1275 CA GLN A 131 49.781 -5.139 5.364 1.00 0.00 C ATOM 1276 C GLN A 131 48.933 -4.527 6.480 1.00 0.00 C ATOM 1277 O GLN A 131 48.067 -3.690 6.228 1.00 0.00 O ATOM 1278 CB GLN A 131 51.194 -4.525 5.382 1.00 0.00 C ATOM 1279 CG GLN A 131 51.476 -3.534 4.260 1.00 0.00 C ATOM 1280 CD GLN A 131 52.235 -4.159 3.106 1.00 0.00 C ATOM 1281 OE1 GLN A 131 51.751 -5.087 2.459 1.00 0.00 O ATOM 1282 NE2 GLN A 131 53.435 -3.654 2.844 1.00 0.00 N ATOM 0 H GLN A 131 49.756 -4.644 3.320 1.00 0.00 H new ATOM 0 HA GLN A 131 49.873 -6.211 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.344 -4.022 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.926 -5.331 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 131 50.533 -3.129 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 131 52.050 -2.696 4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 131 53.798 -2.884 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 131 53.994 -4.036 2.081 1.00 0.00 H new ATOM 1291 N LYS A 132 49.176 -4.973 7.708 1.00 0.00 N ATOM 1292 CA LYS A 132 48.425 -4.495 8.865 1.00 0.00 C ATOM 1293 C LYS A 132 48.503 -2.974 9.008 1.00 0.00 C ATOM 1294 O LYS A 132 47.484 -2.288 8.911 1.00 0.00 O ATOM 1295 CB LYS A 132 48.930 -5.190 10.139 1.00 0.00 C ATOM 1296 CG LYS A 132 48.480 -4.536 11.440 1.00 0.00 C ATOM 1297 CD LYS A 132 47.011 -4.802 11.721 1.00 0.00 C ATOM 1298 CE LYS A 132 46.184 -3.530 11.619 1.00 0.00 C ATOM 1299 NZ LYS A 132 44.837 -3.787 11.043 1.00 0.00 N ATOM 0 H LYS A 132 49.890 -5.667 7.929 1.00 0.00 H new ATOM 0 HA LYS A 132 47.376 -4.747 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 132 48.589 -6.225 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 132 50.020 -5.213 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 132 49.083 -4.914 12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 132 48.652 -3.461 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 132 46.632 -5.541 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 132 46.902 -5.229 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 132 46.077 -3.087 12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 132 46.711 -2.804 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 44.606 -3.042 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 44.834 -4.712 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 44.128 -3.787 11.804 1.00 0.00 H new ATOM 1313 N PRO A 133 49.703 -2.417 9.244 1.00 0.00 N ATOM 1314 CA PRO A 133 49.872 -0.969 9.399 1.00 0.00 C ATOM 1315 C PRO A 133 49.329 -0.203 8.200 1.00 0.00 C ATOM 1316 O PRO A 133 48.928 0.954 8.320 1.00 0.00 O ATOM 1317 CB PRO A 133 51.390 -0.783 9.524 1.00 0.00 C ATOM 1318 CG PRO A 133 51.988 -2.069 9.059 1.00 0.00 C ATOM 1319 CD PRO A 133 50.978 -3.133 9.374 1.00 0.00 C ATOM 0 HA PRO A 133 49.324 -0.584 10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.735 0.053 8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.676 -0.567 10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 133 52.200 -2.037 7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.933 -2.266 9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 133 51.044 -3.972 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 133 51.115 -3.537 10.377 1.00 0.00 H new ATOM 1327 N PHE A 134 49.306 -0.864 7.051 1.00 0.00 N ATOM 1328 CA PHE A 134 48.796 -0.253 5.831 1.00 0.00 C ATOM 1329 C PHE A 134 47.313 0.036 5.968 1.00 0.00 C ATOM 1330 O PHE A 134 46.884 1.188 5.934 1.00 0.00 O ATOM 1331 CB PHE A 134 49.024 -1.182 4.642 1.00 0.00 C ATOM 1332 CG PHE A 134 48.938 -0.491 3.309 1.00 0.00 C ATOM 1333 CD1 PHE A 134 47.707 -0.259 2.718 1.00 0.00 C ATOM 1334 CD2 PHE A 134 50.084 -0.075 2.650 1.00 0.00 C ATOM 1335 CE1 PHE A 134 47.617 0.377 1.496 1.00 0.00 C ATOM 1336 CE2 PHE A 134 50.005 0.561 1.423 1.00 0.00 C ATOM 1337 CZ PHE A 134 48.764 0.789 0.846 1.00 0.00 C ATOM 0 H PHE A 134 49.634 -1.823 6.938 1.00 0.00 H new ATOM 0 HA PHE A 134 49.330 0.683 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 134 50.006 -1.646 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.287 -1.985 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 134 46.806 -0.580 3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 134 51.051 -0.249 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 134 46.650 0.552 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 134 50.905 0.878 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 134 48.695 1.288 -0.110 1.00 0.00 H new ATOM 1347 N GLU A 135 46.535 -1.028 6.121 1.00 0.00 N ATOM 1348 CA GLU A 135 45.088 -0.905 6.261 1.00 0.00 C ATOM 1349 C GLU A 135 44.721 0.004 7.430 1.00 0.00 C ATOM 1350 O GLU A 135 43.918 0.922 7.278 1.00 0.00 O ATOM 1351 CB GLU A 135 44.454 -2.285 6.449 1.00 0.00 C ATOM 1352 CG GLU A 135 42.954 -2.244 6.697 1.00 0.00 C ATOM 1353 CD GLU A 135 42.603 -2.302 8.171 1.00 0.00 C ATOM 1354 OE1 GLU A 135 43.519 -2.157 9.007 1.00 0.00 O ATOM 1355 OE2 GLU A 135 41.410 -2.492 8.490 1.00 0.00 O ATOM 0 H GLU A 135 46.881 -1.987 6.151 1.00 0.00 H new ATOM 0 HA GLU A 135 44.700 -0.455 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 135 44.650 -2.888 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 135 44.938 -2.785 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 135 42.543 -1.331 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.482 -3.081 6.182 1.00 0.00 H new ATOM 1362 N ASP A 136 45.308 -0.250 8.596 1.00 0.00 N ATOM 1363 CA ASP A 136 45.025 0.558 9.778 1.00 0.00 C ATOM 1364 C ASP A 136 45.307 2.032 9.508 1.00 0.00 C ATOM 1365 O ASP A 136 44.446 2.887 9.712 1.00 0.00 O ATOM 1366 CB ASP A 136 45.856 0.076 10.968 1.00 0.00 C ATOM 1367 CG ASP A 136 45.099 0.168 12.278 1.00 0.00 C ATOM 1368 OD1 ASP A 136 43.852 0.128 12.247 1.00 0.00 O ATOM 1369 OD2 ASP A 136 45.755 0.280 13.336 1.00 0.00 O ATOM 0 H ASP A 136 45.978 -1.004 8.747 1.00 0.00 H new ATOM 0 HA ASP A 136 43.968 0.446 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 136 46.161 -0.957 10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.767 0.670 11.036 1.00 0.00 H new ATOM 1374 N ALA A 137 46.517 2.321 9.042 1.00 0.00 N ATOM 1375 CA ALA A 137 46.906 3.691 8.737 1.00 0.00 C ATOM 1376 C ALA A 137 45.973 4.299 7.697 1.00 0.00 C ATOM 1377 O ALA A 137 45.440 5.391 7.889 1.00 0.00 O ATOM 1378 CB ALA A 137 48.347 3.737 8.250 1.00 0.00 C ATOM 0 H ALA A 137 47.243 1.626 8.868 1.00 0.00 H new ATOM 0 HA ALA A 137 46.828 4.280 9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.623 4.768 8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 137 49.006 3.345 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.446 3.131 7.349 1.00 0.00 H new ATOM 1384 N SER A 138 45.776 3.578 6.597 1.00 0.00 N ATOM 1385 CA SER A 138 44.905 4.036 5.521 1.00 0.00 C ATOM 1386 C SER A 138 43.477 4.232 6.024 1.00 0.00 C ATOM 1387 O SER A 138 42.895 5.306 5.879 1.00 0.00 O ATOM 1388 CB SER A 138 44.921 3.028 4.363 1.00 0.00 C ATOM 1389 OG SER A 138 45.313 3.645 3.148 1.00 0.00 O ATOM 0 H SER A 138 46.210 2.671 6.428 1.00 0.00 H new ATOM 0 HA SER A 138 45.278 4.996 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.606 2.213 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 138 43.930 2.588 4.247 1.00 0.00 H new ATOM 0 HG SER A 138 44.548 3.678 2.536 1.00 0.00 H new ATOM 1395 N PHE A 139 42.922 3.182 6.613 1.00 0.00 N ATOM 1396 CA PHE A 139 41.563 3.220 7.137 1.00 0.00 C ATOM 1397 C PHE A 139 41.437 4.158 8.338 1.00 0.00 C ATOM 1398 O PHE A 139 40.332 4.424 8.809 1.00 0.00 O ATOM 1399 CB PHE A 139 41.118 1.809 7.524 1.00 0.00 C ATOM 1400 CG PHE A 139 40.687 0.981 6.346 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.556 0.755 5.288 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.417 0.432 6.296 1.00 0.00 C ATOM 1403 CE1 PHE A 139 41.161 -0.003 4.201 1.00 0.00 C ATOM 1404 CE2 PHE A 139 39.018 -0.327 5.211 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.891 -0.545 4.162 1.00 0.00 C ATOM 0 H PHE A 139 43.395 2.288 6.741 1.00 0.00 H new ATOM 0 HA PHE A 139 40.915 3.608 6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.938 1.304 8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.293 1.877 8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.551 1.175 5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.731 0.598 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.845 -0.171 3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 139 38.024 -0.749 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.581 -1.138 3.314 1.00 0.00 H new ATOM 1415 N ALA A 140 42.567 4.656 8.836 1.00 0.00 N ATOM 1416 CA ALA A 140 42.556 5.556 9.982 1.00 0.00 C ATOM 1417 C ALA A 140 42.689 7.016 9.556 1.00 0.00 C ATOM 1418 O ALA A 140 42.320 7.922 10.305 1.00 0.00 O ATOM 1419 CB ALA A 140 43.669 5.188 10.952 1.00 0.00 C ATOM 0 H ALA A 140 43.495 4.452 8.465 1.00 0.00 H new ATOM 0 HA ALA A 140 41.593 5.443 10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 140 43.649 5.868 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 140 43.524 4.166 11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.632 5.266 10.447 1.00 0.00 H new ATOM 1425 N LEU A 141 43.217 7.246 8.356 1.00 0.00 N ATOM 1426 CA LEU A 141 43.391 8.605 7.854 1.00 0.00 C ATOM 1427 C LEU A 141 42.152 9.083 7.100 1.00 0.00 C ATOM 1428 O LEU A 141 41.247 8.299 6.813 1.00 0.00 O ATOM 1429 CB LEU A 141 44.631 8.707 6.961 1.00 0.00 C ATOM 1430 CG LEU A 141 44.805 7.586 5.933 1.00 0.00 C ATOM 1431 CD1 LEU A 141 43.887 7.806 4.743 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.254 7.502 5.481 1.00 0.00 C ATOM 0 H LEU A 141 43.529 6.514 7.718 1.00 0.00 H new ATOM 0 HA LEU A 141 43.533 9.255 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 141 44.596 9.659 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 141 45.514 8.730 7.599 1.00 0.00 H new ATOM 0 HG LEU A 141 44.535 6.641 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 141 44.025 6.999 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 141 42.851 7.818 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 141 44.126 8.759 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 141 46.361 6.700 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 141 46.549 8.448 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 141 46.892 7.297 6.341 1.00 0.00 H new ATOM 1444 N ARG A 142 42.116 10.377 6.790 1.00 0.00 N ATOM 1445 CA ARG A 142 40.985 10.967 6.080 1.00 0.00 C ATOM 1446 C ARG A 142 41.274 11.114 4.588 1.00 0.00 C ATOM 1447 O ARG A 142 42.353 10.758 4.112 1.00 0.00 O ATOM 1448 CB ARG A 142 40.638 12.335 6.673 1.00 0.00 C ATOM 1449 CG ARG A 142 40.602 12.352 8.193 1.00 0.00 C ATOM 1450 CD ARG A 142 41.307 13.577 8.754 1.00 0.00 C ATOM 1451 NE ARG A 142 40.648 14.819 8.355 1.00 0.00 N ATOM 1452 CZ ARG A 142 41.243 16.011 8.360 1.00 0.00 C ATOM 1453 NH1 ARG A 142 42.508 16.127 8.743 1.00 0.00 N ATOM 1454 NH2 ARG A 142 40.571 17.089 7.982 1.00 0.00 N ATOM 0 H ARG A 142 42.859 11.037 7.020 1.00 0.00 H new ATOM 0 HA ARG A 142 40.137 10.293 6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.369 13.067 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 142 39.667 12.650 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 142 39.567 12.339 8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 142 41.076 11.450 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 142 41.333 13.514 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 142 42.341 13.589 8.411 1.00 0.00 H new ATOM 0 HE ARG A 142 39.674 14.770 8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 142 43.030 15.301 9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 142 42.958 17.042 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 142 39.598 17.006 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 142 41.027 18.002 7.986 1.00 0.00 H new ATOM 1468 N THR A 143 40.297 11.645 3.858 1.00 0.00 N ATOM 1469 CA THR A 143 40.430 11.845 2.419 1.00 0.00 C ATOM 1470 C THR A 143 41.586 12.787 2.094 1.00 0.00 C ATOM 1471 O THR A 143 41.712 13.859 2.687 1.00 0.00 O ATOM 1472 CB THR A 143 39.129 12.403 1.841 1.00 0.00 C ATOM 1473 OG1 THR A 143 38.019 11.632 2.267 1.00 0.00 O ATOM 1474 CG2 THR A 143 39.112 12.438 0.328 1.00 0.00 C ATOM 0 H THR A 143 39.401 11.945 4.242 1.00 0.00 H new ATOM 0 HA THR A 143 40.642 10.876 1.966 1.00 0.00 H new ATOM 0 HB THR A 143 39.064 13.426 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.196 12.006 1.888 1.00 0.00 H new ATOM 0 HG21 THR A 143 38.161 12.844 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 143 39.926 13.067 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 143 39.236 11.427 -0.061 1.00 0.00 H new ATOM 1482 N GLY A 144 42.419 12.383 1.140 1.00 0.00 N ATOM 1483 CA GLY A 144 43.547 13.204 0.740 1.00 0.00 C ATOM 1484 C GLY A 144 44.607 13.326 1.819 1.00 0.00 C ATOM 1485 O GLY A 144 45.403 14.265 1.808 1.00 0.00 O ATOM 0 H GLY A 144 42.333 11.500 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 144 43.998 12.780 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.189 14.199 0.477 1.00 0.00 H new ATOM 1489 N GLU A 145 44.622 12.380 2.753 1.00 0.00 N ATOM 1490 CA GLU A 145 45.600 12.400 3.835 1.00 0.00 C ATOM 1491 C GLU A 145 46.724 11.402 3.573 1.00 0.00 C ATOM 1492 O GLU A 145 46.639 10.584 2.655 1.00 0.00 O ATOM 1493 CB GLU A 145 44.924 12.091 5.170 1.00 0.00 C ATOM 1494 CG GLU A 145 45.298 13.060 6.279 1.00 0.00 C ATOM 1495 CD GLU A 145 44.734 14.450 6.052 1.00 0.00 C ATOM 1496 OE1 GLU A 145 44.345 14.753 4.905 1.00 0.00 O ATOM 1497 OE2 GLU A 145 44.682 15.235 7.021 1.00 0.00 O ATOM 0 H GLU A 145 43.972 11.594 2.783 1.00 0.00 H new ATOM 0 HA GLU A 145 46.032 13.400 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 145 43.843 12.108 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 145 45.190 11.080 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 145 44.934 12.675 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 145 46.384 13.120 6.354 1.00 0.00 H new ATOM 1504 N MET A 146 47.775 11.480 4.388 1.00 0.00 N ATOM 1505 CA MET A 146 48.932 10.592 4.263 1.00 0.00 C ATOM 1506 C MET A 146 49.216 9.890 5.580 1.00 0.00 C ATOM 1507 O MET A 146 49.067 10.474 6.655 1.00 0.00 O ATOM 1508 CB MET A 146 50.163 11.390 3.823 1.00 0.00 C ATOM 1509 CG MET A 146 51.061 10.665 2.826 1.00 0.00 C ATOM 1510 SD MET A 146 51.845 11.788 1.651 1.00 0.00 S ATOM 1511 CE MET A 146 50.447 12.780 1.132 1.00 0.00 C ATOM 0 H MET A 146 47.850 12.155 5.149 1.00 0.00 H new ATOM 0 HA MET A 146 48.705 9.838 3.509 1.00 0.00 H new ATOM 0 HB2 MET A 146 49.832 12.329 3.379 1.00 0.00 H new ATOM 0 HB3 MET A 146 50.751 11.644 4.705 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.832 10.117 3.369 1.00 0.00 H new ATOM 0 HG3 MET A 146 50.471 9.929 2.280 1.00 0.00 H new ATOM 0 HE1 MET A 146 50.371 12.761 0.045 1.00 0.00 H new ATOM 0 HE2 MET A 146 49.533 12.376 1.567 1.00 0.00 H new ATOM 0 HE3 MET A 146 50.585 13.808 1.468 1.00 0.00 H new ATOM 1521 N SER A 147 49.622 8.633 5.488 1.00 0.00 N ATOM 1522 CA SER A 147 49.925 7.841 6.668 1.00 0.00 C ATOM 1523 C SER A 147 51.393 7.977 7.057 1.00 0.00 C ATOM 1524 O SER A 147 52.226 8.379 6.245 1.00 0.00 O ATOM 1525 CB SER A 147 49.585 6.378 6.405 1.00 0.00 C ATOM 1526 OG SER A 147 49.733 6.062 5.035 1.00 0.00 O ATOM 0 H SER A 147 49.749 8.139 4.605 1.00 0.00 H new ATOM 0 HA SER A 147 49.321 8.211 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 147 50.234 5.737 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 147 48.561 6.177 6.720 1.00 0.00 H new ATOM 0 HG SER A 147 49.066 6.554 4.512 1.00 0.00 H new ATOM 1532 N GLY A 148 51.704 7.639 8.304 1.00 0.00 N ATOM 1533 CA GLY A 148 53.070 7.730 8.780 1.00 0.00 C ATOM 1534 C GLY A 148 53.950 6.619 8.238 1.00 0.00 C ATOM 1535 O GLY A 148 53.455 5.684 7.608 1.00 0.00 O ATOM 0 H GLY A 148 51.032 7.303 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.488 8.694 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.075 7.694 9.869 1.00 0.00 H new ATOM 1539 N PRO A 149 55.272 6.694 8.468 1.00 0.00 N ATOM 1540 CA PRO A 149 56.216 5.678 7.993 1.00 0.00 C ATOM 1541 C PRO A 149 55.839 4.276 8.456 1.00 0.00 C ATOM 1542 O PRO A 149 55.742 4.015 9.656 1.00 0.00 O ATOM 1543 CB PRO A 149 57.550 6.105 8.613 1.00 0.00 C ATOM 1544 CG PRO A 149 57.399 7.562 8.879 1.00 0.00 C ATOM 1545 CD PRO A 149 55.948 7.774 9.209 1.00 0.00 C ATOM 0 HA PRO A 149 56.238 5.623 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 149 57.753 5.555 9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.381 5.911 7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.037 7.876 9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 149 57.691 8.150 8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 149 55.764 7.703 10.281 1.00 0.00 H new ATOM 0 HD3 PRO A 149 55.602 8.758 8.891 1.00 0.00 H new ATOM 1553 N VAL A 150 55.630 3.379 7.501 1.00 0.00 N ATOM 1554 CA VAL A 150 55.267 2.001 7.812 1.00 0.00 C ATOM 1555 C VAL A 150 56.384 1.042 7.426 1.00 0.00 C ATOM 1556 O VAL A 150 56.619 0.788 6.244 1.00 0.00 O ATOM 1557 CB VAL A 150 53.968 1.585 7.091 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.621 0.134 7.396 1.00 0.00 C ATOM 1559 CG2 VAL A 150 52.823 2.509 7.479 1.00 0.00 C ATOM 0 H VAL A 150 55.705 3.580 6.504 1.00 0.00 H new ATOM 0 HA VAL A 150 55.105 1.949 8.889 1.00 0.00 H new ATOM 0 HB VAL A 150 54.129 1.673 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.702 -0.137 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.432 -0.512 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.481 0.011 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 150 51.915 2.201 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.662 2.457 8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.071 3.533 7.199 1.00 0.00 H new ATOM 1569 N PHE A 151 57.069 0.512 8.430 1.00 0.00 N ATOM 1570 CA PHE A 151 58.165 -0.420 8.203 1.00 0.00 C ATOM 1571 C PHE A 151 57.647 -1.839 8.002 1.00 0.00 C ATOM 1572 O PHE A 151 56.999 -2.407 8.883 1.00 0.00 O ATOM 1573 CB PHE A 151 59.136 -0.375 9.379 1.00 0.00 C ATOM 1574 CG PHE A 151 59.813 0.955 9.527 1.00 0.00 C ATOM 1575 CD1 PHE A 151 59.129 2.043 10.045 1.00 0.00 C ATOM 1576 CD2 PHE A 151 61.134 1.116 9.146 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.753 3.270 10.180 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.763 2.339 9.279 1.00 0.00 C ATOM 1579 CZ PHE A 151 61.072 3.418 9.796 1.00 0.00 C ATOM 0 H PHE A 151 56.884 0.712 9.413 1.00 0.00 H new ATOM 0 HA PHE A 151 58.687 -0.121 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.597 -0.607 10.298 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.892 -1.149 9.249 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.098 1.932 10.346 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.679 0.276 8.740 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.210 4.111 10.585 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.794 2.452 8.979 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.562 4.375 9.900 1.00 0.00 H new ATOM 1589 N THR A 152 57.937 -2.404 6.838 1.00 0.00 N ATOM 1590 CA THR A 152 57.503 -3.756 6.513 1.00 0.00 C ATOM 1591 C THR A 152 58.670 -4.582 5.984 1.00 0.00 C ATOM 1592 O THR A 152 59.732 -4.042 5.667 1.00 0.00 O ATOM 1593 CB THR A 152 56.377 -3.721 5.478 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.892 -3.458 4.185 1.00 0.00 O ATOM 1595 CG2 THR A 152 55.323 -2.677 5.774 1.00 0.00 C ATOM 0 H THR A 152 58.473 -1.945 6.101 1.00 0.00 H new ATOM 0 HA THR A 152 57.130 -4.222 7.425 1.00 0.00 H new ATOM 0 HB THR A 152 55.912 -4.706 5.525 1.00 0.00 H new ATOM 0 HG1 THR A 152 57.397 -2.618 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 152 54.555 -2.706 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.870 -2.882 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.784 -1.689 5.790 1.00 0.00 H new ATOM 1603 N ASP A 153 58.462 -5.893 5.899 1.00 0.00 N ATOM 1604 CA ASP A 153 59.490 -6.821 5.416 1.00 0.00 C ATOM 1605 C ASP A 153 60.284 -6.229 4.252 1.00 0.00 C ATOM 1606 O ASP A 153 61.502 -6.401 4.165 1.00 0.00 O ATOM 1607 CB ASP A 153 58.844 -8.137 4.984 1.00 0.00 C ATOM 1608 CG ASP A 153 57.872 -8.677 6.016 1.00 0.00 C ATOM 1609 OD1 ASP A 153 58.323 -9.038 7.122 1.00 0.00 O ATOM 1610 OD2 ASP A 153 56.661 -8.738 5.716 1.00 0.00 O ATOM 0 H ASP A 153 57.585 -6.343 6.160 1.00 0.00 H new ATOM 0 HA ASP A 153 60.184 -7.004 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 153 58.320 -7.987 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 153 59.623 -8.877 4.802 1.00 0.00 H new ATOM 1615 N SER A 154 59.585 -5.537 3.359 1.00 0.00 N ATOM 1616 CA SER A 154 60.222 -4.925 2.198 1.00 0.00 C ATOM 1617 C SER A 154 60.908 -3.614 2.570 1.00 0.00 C ATOM 1618 O SER A 154 62.045 -3.365 2.173 1.00 0.00 O ATOM 1619 CB SER A 154 59.188 -4.675 1.098 1.00 0.00 C ATOM 1620 OG SER A 154 58.398 -5.828 0.867 1.00 0.00 O ATOM 0 H SER A 154 58.578 -5.386 3.416 1.00 0.00 H new ATOM 0 HA SER A 154 60.981 -5.616 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 154 58.546 -3.841 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 154 59.695 -4.388 0.177 1.00 0.00 H new ATOM 0 HG SER A 154 58.897 -6.460 0.309 1.00 0.00 H new ATOM 1626 N GLY A 155 60.212 -2.775 3.332 1.00 0.00 N ATOM 1627 CA GLY A 155 60.779 -1.501 3.736 1.00 0.00 C ATOM 1628 C GLY A 155 59.738 -0.549 4.292 1.00 0.00 C ATOM 1629 O GLY A 155 58.735 -0.979 4.858 1.00 0.00 O ATOM 0 H GLY A 155 59.269 -2.954 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.548 -1.672 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.269 -1.038 2.880 1.00 0.00 H new ATOM 1633 N ILE A 156 59.977 0.749 4.131 1.00 0.00 N ATOM 1634 CA ILE A 156 59.049 1.761 4.626 1.00 0.00 C ATOM 1635 C ILE A 156 57.974 2.079 3.592 1.00 0.00 C ATOM 1636 O ILE A 156 58.272 2.265 2.412 1.00 0.00 O ATOM 1637 CB ILE A 156 59.784 3.062 5.000 1.00 0.00 C ATOM 1638 CG1 ILE A 156 60.992 2.753 5.888 1.00 0.00 C ATOM 1639 CG2 ILE A 156 58.836 4.025 5.699 1.00 0.00 C ATOM 1640 CD1 ILE A 156 61.771 3.983 6.298 1.00 0.00 C ATOM 0 H ILE A 156 60.802 1.124 3.663 1.00 0.00 H new ATOM 0 HA ILE A 156 58.579 1.347 5.518 1.00 0.00 H new ATOM 0 HB ILE A 156 60.141 3.536 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 156 60.651 2.234 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 156 61.657 2.071 5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 156 59.371 4.939 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.006 4.265 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 156 58.451 3.562 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 156 62.612 3.688 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.142 4.492 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 156 61.120 4.656 6.856 1.00 0.00 H new ATOM 1652 N HIS A 157 56.722 2.145 4.040 1.00 0.00 N ATOM 1653 CA HIS A 157 55.611 2.446 3.143 1.00 0.00 C ATOM 1654 C HIS A 157 54.712 3.540 3.695 1.00 0.00 C ATOM 1655 O HIS A 157 54.405 3.578 4.887 1.00 0.00 O ATOM 1656 CB HIS A 157 54.741 1.220 2.896 1.00 0.00 C ATOM 1657 CG HIS A 157 55.405 0.117 2.135 1.00 0.00 C ATOM 1658 ND1 HIS A 157 54.917 -0.353 0.935 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.495 -0.636 2.416 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.671 -1.347 0.513 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.639 -1.539 1.391 1.00 0.00 N ATOM 0 H HIS A 157 56.453 1.995 5.013 1.00 0.00 H new ATOM 0 HA HIS A 157 56.069 2.778 2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.409 0.829 3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 157 53.848 1.530 2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 157 57.132 -0.544 3.283 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.523 -1.910 -0.397 1.00 0.00 H new ATOM 0 HE2 HIS A 157 57.374 -2.243 1.320 1.00 0.00 H new ATOM 1670 N ILE A 158 54.250 4.387 2.794 1.00 0.00 N ATOM 1671 CA ILE A 158 53.325 5.457 3.133 1.00 0.00 C ATOM 1672 C ILE A 158 52.049 5.271 2.327 1.00 0.00 C ATOM 1673 O ILE A 158 52.079 4.663 1.260 1.00 0.00 O ATOM 1674 CB ILE A 158 53.924 6.858 2.871 1.00 0.00 C ATOM 1675 CG1 ILE A 158 54.879 7.222 4.006 1.00 0.00 C ATOM 1676 CG2 ILE A 158 52.821 7.905 2.742 1.00 0.00 C ATOM 1677 CD1 ILE A 158 55.366 8.659 3.973 1.00 0.00 C ATOM 0 H ILE A 158 54.504 4.354 1.807 1.00 0.00 H new ATOM 0 HA ILE A 158 53.114 5.402 4.201 1.00 0.00 H new ATOM 0 HB ILE A 158 54.475 6.837 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 158 54.380 7.041 4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 158 55.742 6.557 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 158 53.267 8.882 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.166 7.643 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 158 52.241 7.938 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.039 8.834 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 158 55.896 8.842 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 158 54.513 9.334 4.044 1.00 0.00 H new ATOM 1689 N ILE A 159 50.931 5.770 2.832 1.00 0.00 N ATOM 1690 CA ILE A 159 49.668 5.615 2.127 1.00 0.00 C ATOM 1691 C ILE A 159 48.818 6.877 2.185 1.00 0.00 C ATOM 1692 O ILE A 159 48.927 7.672 3.119 1.00 0.00 O ATOM 1693 CB ILE A 159 48.860 4.440 2.698 1.00 0.00 C ATOM 1694 CG1 ILE A 159 49.759 3.211 2.851 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.669 4.127 1.805 1.00 0.00 C ATOM 1696 CD1 ILE A 159 50.291 3.021 4.253 1.00 0.00 C ATOM 0 H ILE A 159 50.872 6.279 3.714 1.00 0.00 H new ATOM 0 HA ILE A 159 49.920 5.416 1.085 1.00 0.00 H new ATOM 0 HB ILE A 159 48.482 4.719 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.198 2.323 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.599 3.297 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.109 3.292 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.023 5.002 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 159 48.021 3.862 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 159 50.920 2.131 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 159 50.880 3.892 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 159 49.458 2.902 4.945 1.00 0.00 H new ATOM 1708 N LEU A 160 47.963 7.046 1.182 1.00 0.00 N ATOM 1709 CA LEU A 160 47.078 8.202 1.117 1.00 0.00 C ATOM 1710 C LEU A 160 45.673 7.783 0.724 1.00 0.00 C ATOM 1711 O LEU A 160 45.471 6.714 0.150 1.00 0.00 O ATOM 1712 CB LEU A 160 47.587 9.237 0.109 1.00 0.00 C ATOM 1713 CG LEU A 160 49.084 9.204 -0.174 1.00 0.00 C ATOM 1714 CD1 LEU A 160 49.429 8.001 -1.038 1.00 0.00 C ATOM 1715 CD2 LEU A 160 49.519 10.498 -0.850 1.00 0.00 C ATOM 0 H LEU A 160 47.865 6.396 0.402 1.00 0.00 H new ATOM 0 HA LEU A 160 47.062 8.650 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 160 47.055 9.093 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 160 47.327 10.231 0.474 1.00 0.00 H new ATOM 0 HG LEU A 160 49.621 9.113 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 160 50.501 7.989 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 160 49.144 7.086 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 160 48.889 8.065 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 160 50.590 10.463 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 160 48.980 10.616 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 160 49.298 11.342 -0.197 1.00 0.00 H new ATOM 1727 N ARG A 161 44.706 8.638 1.019 1.00 0.00 N ATOM 1728 CA ARG A 161 43.318 8.359 0.679 1.00 0.00 C ATOM 1729 C ARG A 161 42.923 9.087 -0.601 1.00 0.00 C ATOM 1730 O ARG A 161 43.023 10.312 -0.684 1.00 0.00 O ATOM 1731 CB ARG A 161 42.393 8.773 1.821 1.00 0.00 C ATOM 1732 CG ARG A 161 41.198 7.852 2.004 1.00 0.00 C ATOM 1733 CD ARG A 161 40.565 8.024 3.376 1.00 0.00 C ATOM 1734 NE ARG A 161 39.781 6.856 3.768 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.894 6.858 4.759 1.00 0.00 C ATOM 1736 NH1 ARG A 161 38.676 7.962 5.462 1.00 0.00 N ATOM 1737 NH2 ARG A 161 38.221 5.751 5.049 1.00 0.00 N ATOM 0 H ARG A 161 44.855 9.529 1.492 1.00 0.00 H new ATOM 0 HA ARG A 161 43.217 7.286 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 161 42.965 8.800 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.035 9.786 1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 161 40.457 8.059 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 161 41.513 6.816 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 161 41.346 8.201 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 161 39.924 8.906 3.371 1.00 0.00 H new ATOM 0 HE ARG A 161 39.922 5.988 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 161 39.190 8.816 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 161 37.994 7.957 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.384 4.899 4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.541 5.752 5.809 1.00 0.00 H new ATOM 1751 N THR A 162 42.474 8.331 -1.595 1.00 0.00 N ATOM 1752 CA THR A 162 42.065 8.911 -2.869 1.00 0.00 C ATOM 1753 C THR A 162 40.550 9.059 -2.937 1.00 0.00 C ATOM 1754 O THR A 162 40.034 10.093 -3.361 1.00 0.00 O ATOM 1755 CB THR A 162 42.565 8.050 -4.032 1.00 0.00 C ATOM 1756 OG1 THR A 162 43.056 6.806 -3.565 1.00 0.00 O ATOM 1757 CG2 THR A 162 43.671 8.707 -4.830 1.00 0.00 C ATOM 0 H THR A 162 42.384 7.316 -1.544 1.00 0.00 H new ATOM 0 HA THR A 162 42.510 9.903 -2.949 1.00 0.00 H new ATOM 0 HB THR A 162 41.699 7.914 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 162 43.763 6.488 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 162 43.979 8.044 -5.639 1.00 0.00 H new ATOM 0 HG22 THR A 162 43.309 9.646 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 162 44.522 8.904 -4.178 1.00 0.00 H new ATOM 1765 N GLU A 163 39.839 8.017 -2.515 1.00 0.00 N ATOM 1766 CA GLU A 163 38.381 8.033 -2.527 1.00 0.00 C ATOM 1767 C GLU A 163 37.851 8.267 -3.939 1.00 0.00 C ATOM 1768 O GLU A 163 36.751 8.842 -4.071 1.00 0.00 O ATOM 1769 CB GLU A 163 37.855 9.117 -1.584 1.00 0.00 C ATOM 1770 CG GLU A 163 36.363 9.018 -1.316 1.00 0.00 C ATOM 1771 CD GLU A 163 36.052 8.485 0.069 1.00 0.00 C ATOM 1772 OE1 GLU A 163 36.870 8.705 0.987 1.00 0.00 O ATOM 1773 OE2 GLU A 163 34.992 7.847 0.236 1.00 0.00 O ATOM 1774 OXT GLU A 163 38.542 7.875 -4.902 1.00 0.00 O ATOM 0 H GLU A 163 40.249 7.153 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 163 38.028 7.061 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 163 38.391 9.054 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 163 38.075 10.096 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 163 35.911 10.003 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 163 35.906 8.368 -2.062 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 60.349 -8.266 -0.894 1.00 0.00 S HETATM 1783 O1 SO4 A 200 61.730 -8.760 -1.045 1.00 0.00 O HETATM 1784 O2 SO4 A 200 59.421 -9.411 -0.836 1.00 0.00 O HETATM 1785 O3 SO4 A 200 60.005 -7.412 -2.047 1.00 0.00 O HETATM 1786 O4 SO4 A 200 60.239 -7.481 0.350 1.00 0.00 O