USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -0.893 K(o=-0.88,f=-1.8) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0146 USER MOD Set 2.1: A 74 ASN : amide:sc= -7.09! C(o=-7.9!,f=-7.4!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.769 X(o=-7.9,f=-7.6) USER MOD Set 3.1: A 51 THR OG1 : rot 161:sc= 0.0326 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0.061 USER MOD Set 4.1: A 46 ASN : amide:sc= 0 X(o=0.25,f=0.15) USER MOD Set 4.2: A 50 SER OG : rot 34:sc= 0.25 USER MOD Set 5.1: A 24 SER OG : rot -29:sc= 1.04 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= -1.12! C(o=-3.6!,f=-0.073!) USER MOD Single : A 1 LYS N :NH3+ -145:sc= -0.393 (180deg=-2.12!) USER MOD Single : A 1 LYS NZ :NH3+ 150:sc=-5.57e-06 (180deg=-1.18) USER MOD Single : A 12 MET CE :methyl -152:sc= -11! (180deg=-13.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -95:sc= -1.6! USER MOD Single : A 37 ASN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 39 ASN : amide:sc= -1.57! C(o=-1.6!,f=-5.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00581 K(o=-0.0058,f=-0.87) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00951 USER MOD Single : A 44 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.0065) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.05! C(o=-2!,f=-2!) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.65! C(o=-6.8!,f=-3.7!) USER MOD Single : A 60 SER OG : rot 131:sc= 1.24 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 102:sc= 0.212 USER MOD Single : A 72 SER OG : rot 77:sc= 1.1 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -52:sc= 0.375 USER MOD Single : A 91 SER OG : rot -170:sc= -0.781 USER MOD Single : A 93 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.021) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -170:sc= -0.255 USER MOD Single : A 103 ASN : amide:sc= -6.09! C(o=-6.1!,f=-6!) USER MOD Single : A 105 MET CE :methyl -134:sc= -0.644 (180deg=-2.69) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0358 F(o=-1.7,f=-0.036) USER MOD Single : A 113 ASN : amide:sc= 0.119 K(o=0.12,f=-2.7) USER MOD Single : A 116 LYS NZ :NH3+ -147:sc= -0.0302 (180deg=-0.48) USER MOD Single : A 118 THR OG1 : rot -60:sc= 1.1 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.517 -9.449 0.728 1.00 0.00 N ATOM 2 CA LYS A 1 -6.234 -10.163 0.489 1.00 0.00 C ATOM 3 C LYS A 1 -5.051 -9.202 0.550 1.00 0.00 C ATOM 4 O LYS A 1 -5.025 -8.189 -0.147 1.00 0.00 O ATOM 5 CB LYS A 1 -6.298 -10.834 -0.885 1.00 0.00 C ATOM 6 CG LYS A 1 -7.604 -11.568 -1.144 1.00 0.00 C ATOM 7 CD LYS A 1 -8.198 -11.186 -2.490 1.00 0.00 C ATOM 8 CE LYS A 1 -9.189 -12.231 -2.978 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.528 -13.287 -3.792 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.167 -10.069 1.251 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.337 -8.588 1.283 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.945 -9.189 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.090 -10.913 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.157 -10.077 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.471 -11.538 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.431 -12.644 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.316 -11.337 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.697 -10.220 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.399 -11.071 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.684 -12.689 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.964 -11.747 -3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.044 -14.183 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.530 -13.006 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.547 -13.411 -3.470 1.00 0.00 H new ATOM 25 N VAL A 2 -4.073 -9.529 1.390 1.00 0.00 N ATOM 26 CA VAL A 2 -2.887 -8.695 1.542 1.00 0.00 C ATOM 27 C VAL A 2 -1.642 -9.406 1.023 1.00 0.00 C ATOM 28 O VAL A 2 -1.296 -10.488 1.499 1.00 0.00 O ATOM 29 CB VAL A 2 -2.650 -8.305 3.016 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.336 -7.555 3.172 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.798 -7.463 3.543 1.00 0.00 C ATOM 0 H VAL A 2 -4.079 -10.365 1.975 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.067 -7.794 0.956 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.597 -9.224 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.190 -7.290 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.514 -8.189 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.361 -6.648 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.609 -7.200 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.885 -6.553 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.726 -8.030 3.475 1.00 0.00 H new ATOM 41 N PHE A 3 -0.951 -8.786 0.069 1.00 0.00 N ATOM 42 CA PHE A 3 0.271 -9.362 -0.473 1.00 0.00 C ATOM 43 C PHE A 3 1.369 -9.346 0.580 1.00 0.00 C ATOM 44 O PHE A 3 1.180 -8.832 1.683 1.00 0.00 O ATOM 45 CB PHE A 3 0.758 -8.570 -1.688 1.00 0.00 C ATOM 46 CG PHE A 3 -0.160 -8.597 -2.875 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.163 -9.545 -2.992 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.004 -7.664 -3.884 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.992 -9.559 -4.098 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.826 -7.672 -4.987 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.822 -8.619 -5.097 1.00 0.00 C ATOM 0 H PHE A 3 -1.217 -7.890 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 3 0.049 -10.386 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.910 -7.533 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.730 -8.960 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.299 -10.280 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.774 -6.919 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.771 -10.303 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.691 -6.937 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.468 -8.626 -5.962 1.00 0.00 H new ATOM 61 N GLY A 4 2.521 -9.891 0.224 1.00 0.00 N ATOM 62 CA GLY A 4 3.647 -9.909 1.134 1.00 0.00 C ATOM 63 C GLY A 4 4.612 -8.780 0.839 1.00 0.00 C ATOM 64 O GLY A 4 4.208 -7.733 0.333 1.00 0.00 O ATOM 0 H GLY A 4 2.697 -10.323 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.289 -9.825 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.166 -10.864 1.054 1.00 0.00 H new ATOM 68 N ARG A 5 5.886 -8.986 1.144 1.00 0.00 N ATOM 69 CA ARG A 5 6.895 -7.963 0.893 1.00 0.00 C ATOM 70 C ARG A 5 7.503 -8.124 -0.489 1.00 0.00 C ATOM 71 O ARG A 5 7.466 -7.198 -1.300 1.00 0.00 O ATOM 72 CB ARG A 5 7.989 -8.015 1.961 1.00 0.00 C ATOM 73 CG ARG A 5 7.460 -7.896 3.381 1.00 0.00 C ATOM 74 CD ARG A 5 7.909 -9.066 4.242 1.00 0.00 C ATOM 75 NE ARG A 5 8.930 -8.673 5.210 1.00 0.00 N ATOM 76 CZ ARG A 5 9.217 -9.371 6.305 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.560 -10.493 6.572 1.00 0.00 N ATOM 78 NH2 ARG A 5 10.160 -8.947 7.135 1.00 0.00 N ATOM 0 H ARG A 5 6.245 -9.844 1.562 1.00 0.00 H new ATOM 0 HA ARG A 5 6.405 -6.990 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.536 -8.953 1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.701 -7.210 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.808 -6.963 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.371 -7.853 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.049 -9.479 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.301 -9.857 3.603 1.00 0.00 H new ATOM 0 HE ARG A 5 9.453 -7.814 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.833 -10.822 5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.782 -11.026 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.666 -8.085 6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.379 -9.483 7.975 1.00 0.00 H new ATOM 92 N CYS A 6 8.066 -9.293 -0.760 1.00 0.00 N ATOM 93 CA CYS A 6 8.676 -9.538 -2.054 1.00 0.00 C ATOM 94 C CYS A 6 7.649 -9.994 -3.075 1.00 0.00 C ATOM 95 O CYS A 6 7.724 -9.610 -4.233 1.00 0.00 O ATOM 96 CB CYS A 6 9.789 -10.568 -1.953 1.00 0.00 C ATOM 97 SG CYS A 6 10.808 -10.427 -0.451 1.00 0.00 S ATOM 0 H CYS A 6 8.112 -10.076 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 6 9.102 -8.592 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.349 -11.565 -1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.435 -10.474 -2.826 1.00 0.00 H new ATOM 102 N GLU A 7 6.683 -10.802 -2.647 1.00 0.00 N ATOM 103 CA GLU A 7 5.649 -11.271 -3.562 1.00 0.00 C ATOM 104 C GLU A 7 5.144 -10.094 -4.383 1.00 0.00 C ATOM 105 O GLU A 7 5.128 -10.129 -5.617 1.00 0.00 O ATOM 106 CB GLU A 7 4.494 -11.913 -2.788 1.00 0.00 C ATOM 107 CG GLU A 7 4.144 -13.312 -3.268 1.00 0.00 C ATOM 108 CD GLU A 7 4.838 -14.394 -2.466 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.395 -14.669 -1.331 1.00 0.00 O ATOM 110 OE2 GLU A 7 5.825 -14.968 -2.972 1.00 0.00 O ATOM 0 H GLU A 7 6.595 -11.141 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 7 6.070 -12.027 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.755 -11.955 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.613 -11.277 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.065 -13.454 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.418 -13.411 -4.318 1.00 0.00 H new ATOM 117 N LEU A 8 4.763 -9.038 -3.677 1.00 0.00 N ATOM 118 CA LEU A 8 4.287 -7.826 -4.313 1.00 0.00 C ATOM 119 C LEU A 8 5.407 -7.165 -5.113 1.00 0.00 C ATOM 120 O LEU A 8 5.170 -6.671 -6.212 1.00 0.00 O ATOM 121 CB LEU A 8 3.742 -6.853 -3.259 1.00 0.00 C ATOM 122 CG LEU A 8 3.109 -5.559 -3.797 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.146 -4.452 -3.883 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.459 -5.785 -5.156 1.00 0.00 C ATOM 0 H LEU A 8 4.776 -9.001 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 8 3.482 -8.089 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.996 -7.377 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.557 -6.583 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 8 2.330 -5.254 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.679 -3.545 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.555 -4.259 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.949 -4.757 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.021 -4.852 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.212 -6.125 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.679 -6.541 -5.065 1.00 0.00 H new ATOM 136 N ALA A 9 6.629 -7.163 -4.564 1.00 0.00 N ATOM 137 CA ALA A 9 7.766 -6.552 -5.250 1.00 0.00 C ATOM 138 C ALA A 9 8.034 -7.228 -6.588 1.00 0.00 C ATOM 139 O ALA A 9 8.121 -6.561 -7.617 1.00 0.00 O ATOM 140 CB ALA A 9 9.007 -6.582 -4.381 1.00 0.00 C ATOM 0 H ALA A 9 6.850 -7.574 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 9 7.510 -5.511 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.837 -6.121 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.819 -6.031 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.259 -7.615 -4.142 1.00 0.00 H new ATOM 146 N ALA A 10 8.155 -8.552 -6.575 1.00 0.00 N ATOM 147 CA ALA A 10 8.395 -9.300 -7.797 1.00 0.00 C ATOM 148 C ALA A 10 7.367 -8.906 -8.842 1.00 0.00 C ATOM 149 O ALA A 10 7.684 -8.767 -10.023 1.00 0.00 O ATOM 150 CB ALA A 10 8.339 -10.797 -7.527 1.00 0.00 C ATOM 0 H ALA A 10 8.091 -9.124 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 10 9.391 -9.063 -8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.521 -11.341 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.101 -11.063 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.355 -11.060 -7.139 1.00 0.00 H new ATOM 156 N ALA A 11 6.131 -8.704 -8.389 1.00 0.00 N ATOM 157 CA ALA A 11 5.060 -8.297 -9.282 1.00 0.00 C ATOM 158 C ALA A 11 5.359 -6.933 -9.864 1.00 0.00 C ATOM 159 O ALA A 11 5.090 -6.658 -11.034 1.00 0.00 O ATOM 160 CB ALA A 11 3.722 -8.301 -8.560 1.00 0.00 C ATOM 0 H ALA A 11 5.852 -8.816 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 11 4.996 -9.015 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.936 -7.993 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.510 -9.305 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.760 -7.608 -7.720 1.00 0.00 H new ATOM 166 N MET A 12 5.932 -6.097 -9.029 1.00 0.00 N ATOM 167 CA MET A 12 6.306 -4.740 -9.429 1.00 0.00 C ATOM 168 C MET A 12 7.316 -4.786 -10.566 1.00 0.00 C ATOM 169 O MET A 12 7.148 -4.126 -11.591 1.00 0.00 O ATOM 170 CB MET A 12 6.916 -3.969 -8.261 1.00 0.00 C ATOM 171 CG MET A 12 6.177 -4.146 -6.950 1.00 0.00 C ATOM 172 SD MET A 12 4.554 -3.367 -6.968 1.00 0.00 S ATOM 173 CE MET A 12 4.998 -1.709 -7.470 1.00 0.00 C ATOM 0 H MET A 12 6.155 -6.325 -8.060 1.00 0.00 H new ATOM 0 HA MET A 12 5.399 -4.232 -9.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.950 -4.288 -8.129 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.940 -2.909 -8.512 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.064 -5.210 -6.740 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.772 -3.722 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.271 -1.001 -7.072 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.989 -1.466 -7.086 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.006 -1.648 -8.558 1.00 0.00 H new ATOM 183 N LYS A 13 8.368 -5.577 -10.368 1.00 0.00 N ATOM 184 CA LYS A 13 9.418 -5.722 -11.367 1.00 0.00 C ATOM 185 C LYS A 13 8.812 -6.065 -12.718 1.00 0.00 C ATOM 186 O LYS A 13 9.116 -5.430 -13.728 1.00 0.00 O ATOM 187 CB LYS A 13 10.410 -6.809 -10.947 1.00 0.00 C ATOM 188 CG LYS A 13 11.854 -6.479 -11.288 1.00 0.00 C ATOM 189 CD LYS A 13 12.391 -7.391 -12.378 1.00 0.00 C ATOM 190 CE LYS A 13 13.171 -6.610 -13.423 1.00 0.00 C ATOM 191 NZ LYS A 13 14.566 -6.332 -12.983 1.00 0.00 N ATOM 0 H LYS A 13 8.514 -6.128 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 13 9.952 -4.775 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.327 -6.970 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.136 -7.746 -11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.924 -5.441 -11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.471 -6.575 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.035 -8.150 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.563 -7.915 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.190 -7.172 -14.357 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.661 -5.669 -13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.064 -5.798 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.549 -5.774 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.062 -7.230 -12.812 1.00 0.00 H new ATOM 205 N ARG A 14 7.941 -7.068 -12.725 1.00 0.00 N ATOM 206 CA ARG A 14 7.279 -7.487 -13.947 1.00 0.00 C ATOM 207 C ARG A 14 6.432 -6.351 -14.495 1.00 0.00 C ATOM 208 O ARG A 14 6.327 -6.169 -15.708 1.00 0.00 O ATOM 209 CB ARG A 14 6.407 -8.717 -13.688 1.00 0.00 C ATOM 210 CG ARG A 14 7.029 -10.016 -14.174 1.00 0.00 C ATOM 211 CD ARG A 14 5.981 -11.103 -14.350 1.00 0.00 C ATOM 212 NE ARG A 14 6.463 -12.406 -13.900 1.00 0.00 N ATOM 213 CZ ARG A 14 5.670 -13.450 -13.679 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.361 -13.346 -13.867 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.186 -14.601 -13.270 1.00 0.00 N ATOM 0 H ARG A 14 7.680 -7.603 -11.897 1.00 0.00 H new ATOM 0 HA ARG A 14 8.039 -7.750 -14.683 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.212 -8.795 -12.618 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.444 -8.579 -14.179 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.539 -9.844 -15.122 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.784 -10.348 -13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.084 -10.836 -13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.696 -11.165 -15.400 1.00 0.00 H new ATOM 0 HE ARG A 14 7.465 -12.522 -13.747 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.960 -12.463 -14.182 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.756 -14.149 -13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.192 -14.686 -13.125 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.577 -15.401 -13.101 1.00 0.00 H new ATOM 229 N HIS A 15 5.801 -5.602 -13.592 1.00 0.00 N ATOM 230 CA HIS A 15 4.931 -4.503 -13.982 1.00 0.00 C ATOM 231 C HIS A 15 5.726 -3.277 -14.418 1.00 0.00 C ATOM 232 O HIS A 15 5.144 -2.298 -14.886 1.00 0.00 O ATOM 233 CB HIS A 15 4.011 -4.131 -12.821 1.00 0.00 C ATOM 234 CG HIS A 15 2.744 -4.930 -12.776 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.077 -5.213 -11.603 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.019 -5.503 -13.766 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.999 -5.927 -11.873 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.940 -6.116 -13.178 1.00 0.00 N ATOM 0 H HIS A 15 5.879 -5.740 -12.584 1.00 0.00 H new ATOM 0 HA HIS A 15 4.338 -4.838 -14.833 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.550 -4.268 -11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.760 -3.073 -12.893 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.247 -5.482 -14.821 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.287 -6.294 -11.149 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.211 -6.633 -13.670 1.00 0.00 H new ATOM 247 N GLY A 16 7.053 -3.339 -14.321 1.00 0.00 N ATOM 248 CA GLY A 16 7.877 -2.233 -14.772 1.00 0.00 C ATOM 249 C GLY A 16 7.929 -1.036 -13.841 1.00 0.00 C ATOM 250 O GLY A 16 8.195 0.074 -14.304 1.00 0.00 O ATOM 0 H GLY A 16 7.569 -4.132 -13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.893 -2.598 -14.924 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.509 -1.901 -15.743 1.00 0.00 H new ATOM 254 N LEU A 17 7.687 -1.214 -12.540 1.00 0.00 N ATOM 255 CA LEU A 17 7.737 -0.069 -11.639 1.00 0.00 C ATOM 256 C LEU A 17 9.126 0.108 -11.059 1.00 0.00 C ATOM 257 O LEU A 17 9.401 1.073 -10.349 1.00 0.00 O ATOM 258 CB LEU A 17 6.710 -0.194 -10.511 1.00 0.00 C ATOM 259 CG LEU A 17 5.339 -0.752 -10.904 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.252 -0.112 -10.058 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.038 -0.528 -12.382 1.00 0.00 C ATOM 0 H LEU A 17 7.463 -2.107 -12.102 1.00 0.00 H new ATOM 0 HA LEU A 17 7.489 0.813 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.130 -0.833 -9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.565 0.792 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 17 5.360 -1.827 -10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.282 -0.516 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.437 -0.327 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.257 0.967 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.057 -0.938 -12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.046 0.541 -12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.796 -1.026 -12.987 1.00 0.00 H new ATOM 273 N ASP A 18 9.999 -0.822 -11.376 1.00 0.00 N ATOM 274 CA ASP A 18 11.372 -0.767 -10.891 1.00 0.00 C ATOM 275 C ASP A 18 12.151 0.334 -11.610 1.00 0.00 C ATOM 276 O ASP A 18 12.677 0.136 -12.706 1.00 0.00 O ATOM 277 CB ASP A 18 12.061 -2.124 -11.054 1.00 0.00 C ATOM 278 CG ASP A 18 13.565 -2.006 -11.215 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.229 -1.537 -10.267 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.078 -2.383 -12.290 1.00 0.00 O ATOM 0 H ASP A 18 9.789 -1.627 -11.966 1.00 0.00 H new ATOM 0 HA ASP A 18 11.351 -0.529 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.841 -2.744 -10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.646 -2.634 -11.923 1.00 0.00 H new ATOM 285 N ASN A 19 12.207 1.496 -10.968 1.00 0.00 N ATOM 286 CA ASN A 19 12.909 2.663 -11.496 1.00 0.00 C ATOM 287 C ASN A 19 12.255 3.176 -12.760 1.00 0.00 C ATOM 288 O ASN A 19 12.919 3.718 -13.646 1.00 0.00 O ATOM 289 CB ASN A 19 14.385 2.347 -11.745 1.00 0.00 C ATOM 290 CG ASN A 19 15.309 3.392 -11.152 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.097 4.594 -11.322 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.342 2.941 -10.450 1.00 0.00 N ATOM 0 H ASN A 19 11.765 1.657 -10.063 1.00 0.00 H new ATOM 0 HA ASN A 19 12.848 3.450 -10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.622 1.373 -11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.562 2.276 -12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.997 3.598 -10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.480 1.937 -10.334 1.00 0.00 H new ATOM 299 N TYR A 20 10.944 3.038 -12.819 1.00 0.00 N ATOM 300 CA TYR A 20 10.191 3.527 -13.957 1.00 0.00 C ATOM 301 C TYR A 20 10.258 5.039 -13.926 1.00 0.00 C ATOM 302 O TYR A 20 10.741 5.593 -12.940 1.00 0.00 O ATOM 303 CB TYR A 20 8.738 3.047 -13.882 1.00 0.00 C ATOM 304 CG TYR A 20 7.889 3.464 -15.063 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.108 2.930 -16.327 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.867 4.393 -14.911 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.333 3.310 -17.406 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.088 4.777 -15.986 1.00 0.00 C ATOM 309 CZ TYR A 20 6.325 4.233 -17.230 1.00 0.00 C ATOM 310 OH TYR A 20 5.551 4.615 -18.302 1.00 0.00 O ATOM 0 H TYR A 20 10.380 2.593 -12.095 1.00 0.00 H new ATOM 0 HA TYR A 20 10.610 3.147 -14.889 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.729 1.960 -13.807 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.286 3.433 -12.968 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.897 2.206 -16.468 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.678 4.822 -13.938 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.516 2.886 -18.382 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.297 5.500 -15.852 1.00 0.00 H new ATOM 0 HH TYR A 20 4.885 5.271 -18.008 1.00 0.00 H new ATOM 320 N ARG A 21 9.814 5.701 -14.997 1.00 0.00 N ATOM 321 CA ARG A 21 9.848 7.160 -15.064 1.00 0.00 C ATOM 322 C ARG A 21 9.842 7.753 -13.659 1.00 0.00 C ATOM 323 O ARG A 21 10.541 8.724 -13.372 1.00 0.00 O ATOM 324 CB ARG A 21 8.653 7.685 -15.862 1.00 0.00 C ATOM 325 CG ARG A 21 9.042 8.621 -16.996 1.00 0.00 C ATOM 326 CD ARG A 21 7.882 8.849 -17.951 1.00 0.00 C ATOM 327 NE ARG A 21 8.335 9.038 -19.327 1.00 0.00 N ATOM 328 CZ ARG A 21 8.754 10.204 -19.811 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.777 11.279 -19.036 1.00 0.00 N ATOM 330 NH2 ARG A 21 9.149 10.295 -21.074 1.00 0.00 N ATOM 0 H ARG A 21 9.428 5.250 -15.826 1.00 0.00 H new ATOM 0 HA ARG A 21 10.765 7.463 -15.569 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.101 6.839 -16.273 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.977 8.208 -15.186 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.370 9.576 -16.585 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.887 8.202 -17.542 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.203 7.997 -17.907 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.316 9.725 -17.632 1.00 0.00 H new ATOM 0 HE ARG A 21 8.330 8.231 -19.951 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.473 11.214 -18.065 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.099 12.171 -19.411 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.131 9.471 -21.674 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.470 11.189 -21.445 1.00 0.00 H new ATOM 344 N GLY A 22 9.046 7.137 -12.789 1.00 0.00 N ATOM 345 CA GLY A 22 8.949 7.577 -11.415 1.00 0.00 C ATOM 346 C GLY A 22 10.123 7.113 -10.574 1.00 0.00 C ATOM 347 O GLY A 22 11.205 7.697 -10.638 1.00 0.00 O ATOM 0 H GLY A 22 8.462 6.333 -13.018 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.894 8.665 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.023 7.200 -10.980 1.00 0.00 H new ATOM 351 N TYR A 23 9.904 6.082 -9.758 1.00 0.00 N ATOM 352 CA TYR A 23 10.965 5.590 -8.883 1.00 0.00 C ATOM 353 C TYR A 23 11.187 4.086 -8.966 1.00 0.00 C ATOM 354 O TYR A 23 10.537 3.380 -9.737 1.00 0.00 O ATOM 355 CB TYR A 23 10.677 5.990 -7.438 1.00 0.00 C ATOM 356 CG TYR A 23 11.024 7.430 -7.130 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.318 8.472 -7.716 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.054 7.744 -6.254 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.630 9.789 -7.440 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.371 9.060 -5.972 1.00 0.00 C ATOM 361 CZ TYR A 23 11.657 10.078 -6.567 1.00 0.00 C ATOM 362 OH TYR A 23 11.970 11.388 -6.288 1.00 0.00 O ATOM 0 H TYR A 23 9.019 5.580 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 23 11.886 6.056 -9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.620 5.826 -7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.240 5.338 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.512 8.249 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.616 6.949 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.072 10.588 -7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.175 9.289 -5.288 1.00 0.00 H new ATOM 0 HH TYR A 23 12.717 11.418 -5.654 1.00 0.00 H new ATOM 372 N SER A 24 12.145 3.621 -8.160 1.00 0.00 N ATOM 373 CA SER A 24 12.524 2.218 -8.114 1.00 0.00 C ATOM 374 C SER A 24 11.613 1.403 -7.207 1.00 0.00 C ATOM 375 O SER A 24 10.832 1.948 -6.426 1.00 0.00 O ATOM 376 CB SER A 24 13.972 2.081 -7.644 1.00 0.00 C ATOM 377 OG SER A 24 14.096 2.407 -6.271 1.00 0.00 O ATOM 0 H SER A 24 12.677 4.213 -7.522 1.00 0.00 H new ATOM 0 HA SER A 24 12.422 1.824 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.317 1.061 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.613 2.735 -8.235 1.00 0.00 H new ATOM 0 HG SER A 24 13.405 3.057 -6.025 1.00 0.00 H new ATOM 383 N LEU A 25 11.735 0.086 -7.332 1.00 0.00 N ATOM 384 CA LEU A 25 10.954 -0.861 -6.554 1.00 0.00 C ATOM 385 C LEU A 25 10.827 -0.443 -5.090 1.00 0.00 C ATOM 386 O LEU A 25 9.719 -0.308 -4.574 1.00 0.00 O ATOM 387 CB LEU A 25 11.605 -2.239 -6.649 1.00 0.00 C ATOM 388 CG LEU A 25 10.917 -3.206 -7.601 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.933 -4.142 -8.236 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.847 -3.993 -6.865 1.00 0.00 C ATOM 0 H LEU A 25 12.385 -0.355 -7.982 1.00 0.00 H new ATOM 0 HA LEU A 25 9.946 -0.887 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.641 -2.115 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.627 -2.684 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 25 10.440 -2.634 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.423 -4.827 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.666 -3.559 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.439 -4.712 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.362 -4.682 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.305 -4.557 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.106 -3.306 -6.457 1.00 0.00 H new ATOM 402 N GLY A 26 11.965 -0.262 -4.424 1.00 0.00 N ATOM 403 CA GLY A 26 11.966 0.118 -3.018 1.00 0.00 C ATOM 404 C GLY A 26 10.939 1.184 -2.674 1.00 0.00 C ATOM 405 O GLY A 26 10.320 1.132 -1.612 1.00 0.00 O ATOM 0 H GLY A 26 12.892 -0.372 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.775 -0.767 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.958 0.481 -2.749 1.00 0.00 H new ATOM 409 N ASN A 27 10.761 2.153 -3.565 1.00 0.00 N ATOM 410 CA ASN A 27 9.804 3.233 -3.334 1.00 0.00 C ATOM 411 C ASN A 27 8.367 2.722 -3.408 1.00 0.00 C ATOM 412 O ASN A 27 7.495 3.186 -2.675 1.00 0.00 O ATOM 413 CB ASN A 27 10.017 4.357 -4.347 1.00 0.00 C ATOM 414 CG ASN A 27 11.446 4.861 -4.361 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.285 4.242 -5.185 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.794 5.796 -3.639 1.00 0.00 N flip ATOM 0 H ASN A 27 11.263 2.215 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 27 9.973 3.623 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.751 4.000 -5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.346 5.184 -4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.117 6.243 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.760 6.124 -3.659 1.00 0.00 H new ATOM 423 N TRP A 28 8.134 1.759 -4.293 1.00 0.00 N ATOM 424 CA TRP A 28 6.809 1.171 -4.464 1.00 0.00 C ATOM 425 C TRP A 28 6.434 0.299 -3.279 1.00 0.00 C ATOM 426 O TRP A 28 5.309 0.364 -2.785 1.00 0.00 O ATOM 427 CB TRP A 28 6.765 0.355 -5.745 1.00 0.00 C ATOM 428 CG TRP A 28 6.983 1.206 -6.942 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.149 1.369 -7.616 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.014 2.029 -7.594 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.978 2.262 -8.640 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.669 2.675 -8.656 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.656 2.279 -7.380 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.013 3.561 -9.505 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.001 3.156 -8.221 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.679 3.790 -9.275 1.00 0.00 C ATOM 0 H TRP A 28 8.849 1.367 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 28 6.085 1.983 -4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.527 -0.424 -5.708 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.800 -0.146 -5.825 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.076 0.868 -7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.705 2.570 -9.286 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.129 1.795 -6.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.534 4.050 -10.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.951 3.358 -8.066 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.140 4.471 -9.917 1.00 0.00 H new ATOM 447 N VAL A 29 7.375 -0.518 -2.821 1.00 0.00 N ATOM 448 CA VAL A 29 7.132 -1.398 -1.692 1.00 0.00 C ATOM 449 C VAL A 29 6.929 -0.598 -0.419 1.00 0.00 C ATOM 450 O VAL A 29 5.973 -0.815 0.317 1.00 0.00 O ATOM 451 CB VAL A 29 8.305 -2.378 -1.499 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.057 -3.298 -0.314 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.542 -3.176 -2.772 1.00 0.00 C ATOM 0 H VAL A 29 8.313 -0.587 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 29 6.226 -1.965 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 29 9.204 -1.800 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.900 -3.980 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.947 -2.702 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.146 -3.872 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.374 -3.864 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.644 -3.741 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.779 -2.495 -3.590 1.00 0.00 H new ATOM 463 N CYS A 30 7.841 0.323 -0.166 1.00 0.00 N ATOM 464 CA CYS A 30 7.773 1.162 1.018 1.00 0.00 C ATOM 465 C CYS A 30 6.453 1.931 1.071 1.00 0.00 C ATOM 466 O CYS A 30 5.774 1.951 2.101 1.00 0.00 O ATOM 467 CB CYS A 30 8.949 2.135 1.017 1.00 0.00 C ATOM 468 SG CYS A 30 9.324 2.862 2.639 1.00 0.00 S ATOM 0 H CYS A 30 8.643 0.510 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 30 7.825 0.525 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.835 1.615 0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.739 2.939 0.312 1.00 0.00 H new ATOM 473 N ALA A 31 6.099 2.566 -0.044 1.00 0.00 N ATOM 474 CA ALA A 31 4.870 3.345 -0.128 1.00 0.00 C ATOM 475 C ALA A 31 3.632 2.468 0.031 1.00 0.00 C ATOM 476 O ALA A 31 2.711 2.817 0.765 1.00 0.00 O ATOM 477 CB ALA A 31 4.815 4.096 -1.449 1.00 0.00 C ATOM 0 H ALA A 31 6.649 2.555 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 31 4.875 4.061 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.893 4.674 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.670 4.769 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.843 3.384 -2.274 1.00 0.00 H new ATOM 483 N ALA A 32 3.615 1.335 -0.663 1.00 0.00 N ATOM 484 CA ALA A 32 2.482 0.416 -0.603 1.00 0.00 C ATOM 485 C ALA A 32 2.361 -0.244 0.766 1.00 0.00 C ATOM 486 O ALA A 32 1.289 -0.241 1.371 1.00 0.00 O ATOM 487 CB ALA A 32 2.605 -0.642 -1.689 1.00 0.00 C ATOM 0 H ALA A 32 4.373 1.030 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 32 1.575 0.998 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.754 -1.321 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.621 -0.160 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.528 -1.204 -1.546 1.00 0.00 H new ATOM 493 N LYS A 33 3.462 -0.818 1.241 1.00 0.00 N ATOM 494 CA LYS A 33 3.490 -1.496 2.532 1.00 0.00 C ATOM 495 C LYS A 33 2.813 -0.665 3.610 1.00 0.00 C ATOM 496 O LYS A 33 1.901 -1.133 4.285 1.00 0.00 O ATOM 497 CB LYS A 33 4.937 -1.794 2.940 1.00 0.00 C ATOM 498 CG LYS A 33 5.125 -2.020 4.434 1.00 0.00 C ATOM 499 CD LYS A 33 4.494 -3.327 4.886 1.00 0.00 C ATOM 500 CE LYS A 33 4.714 -3.567 6.371 1.00 0.00 C ATOM 501 NZ LYS A 33 4.603 -5.009 6.723 1.00 0.00 N ATOM 0 H LYS A 33 4.354 -0.827 0.746 1.00 0.00 H new ATOM 0 HA LYS A 33 2.941 -2.432 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.280 -2.678 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.570 -0.964 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.189 -2.028 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.682 -1.191 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.425 -3.309 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.918 -4.153 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.699 -3.199 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.983 -2.996 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.759 -5.130 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.654 -5.355 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.318 -5.551 6.197 1.00 0.00 H new ATOM 515 N PHE A 34 3.278 0.561 3.787 1.00 0.00 N ATOM 516 CA PHE A 34 2.716 1.432 4.809 1.00 0.00 C ATOM 517 C PHE A 34 1.376 2.011 4.395 1.00 0.00 C ATOM 518 O PHE A 34 0.616 2.493 5.236 1.00 0.00 O ATOM 519 CB PHE A 34 3.689 2.541 5.156 1.00 0.00 C ATOM 520 CG PHE A 34 4.612 2.201 6.292 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.158 2.217 7.600 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.935 1.865 6.048 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.006 1.904 8.646 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.787 1.553 7.090 1.00 0.00 C ATOM 525 CZ PHE A 34 6.322 1.572 8.391 1.00 0.00 C ATOM 0 H PHE A 34 4.036 0.974 3.243 1.00 0.00 H new ATOM 0 HA PHE A 34 2.544 0.821 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.284 2.779 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.127 3.439 5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.130 2.477 7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.303 1.847 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.640 1.919 9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.816 1.294 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.986 1.328 9.207 1.00 0.00 H new ATOM 535 N GLU A 35 1.082 1.970 3.105 1.00 0.00 N ATOM 536 CA GLU A 35 -0.170 2.501 2.591 1.00 0.00 C ATOM 537 C GLU A 35 -1.366 1.664 3.025 1.00 0.00 C ATOM 538 O GLU A 35 -2.336 2.182 3.577 1.00 0.00 O ATOM 539 CB GLU A 35 -0.114 2.535 1.066 1.00 0.00 C ATOM 540 CG GLU A 35 -0.164 3.934 0.479 1.00 0.00 C ATOM 541 CD GLU A 35 0.368 3.982 -0.937 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.393 3.642 -1.866 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.546 4.354 -1.118 1.00 0.00 O ATOM 0 H GLU A 35 1.695 1.573 2.393 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.297 3.505 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.802 2.045 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.947 1.955 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.193 4.294 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.417 4.610 1.106 1.00 0.00 H new ATOM 550 N SER A 36 -1.308 0.376 2.718 1.00 0.00 N ATOM 551 CA SER A 36 -2.410 -0.534 3.020 1.00 0.00 C ATOM 552 C SER A 36 -1.934 -1.806 3.711 1.00 0.00 C ATOM 553 O SER A 36 -2.673 -2.787 3.779 1.00 0.00 O ATOM 554 CB SER A 36 -3.118 -0.908 1.711 1.00 0.00 C ATOM 555 OG SER A 36 -2.177 -1.287 0.723 1.00 0.00 O ATOM 0 H SER A 36 -0.511 -0.065 2.260 1.00 0.00 H new ATOM 0 HA SER A 36 -3.090 -0.022 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.815 -1.727 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.706 -0.062 1.355 1.00 0.00 H new ATOM 0 HG SER A 36 -1.963 -0.513 0.161 1.00 0.00 H new ATOM 561 N ASN A 37 -0.699 -1.802 4.195 1.00 0.00 N ATOM 562 CA ASN A 37 -0.148 -2.988 4.840 1.00 0.00 C ATOM 563 C ASN A 37 -0.172 -4.139 3.845 1.00 0.00 C ATOM 564 O ASN A 37 -0.235 -5.305 4.221 1.00 0.00 O ATOM 565 CB ASN A 37 -0.948 -3.347 6.096 1.00 0.00 C ATOM 566 CG ASN A 37 -0.098 -4.036 7.146 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.116 -3.842 7.205 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.734 -4.849 7.982 1.00 0.00 N ATOM 0 H ASN A 37 -0.066 -1.003 4.155 1.00 0.00 H new ATOM 0 HA ASN A 37 0.878 -2.789 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.380 -2.440 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.778 -3.997 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.214 -5.341 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.742 -4.981 7.897 1.00 0.00 H new ATOM 575 N PHE A 38 -0.110 -3.764 2.568 1.00 0.00 N ATOM 576 CA PHE A 38 -0.115 -4.681 1.439 1.00 0.00 C ATOM 577 C PHE A 38 -1.498 -5.258 1.196 1.00 0.00 C ATOM 578 O PHE A 38 -1.641 -6.306 0.575 1.00 0.00 O ATOM 579 CB PHE A 38 0.936 -5.779 1.607 1.00 0.00 C ATOM 580 CG PHE A 38 2.321 -5.290 1.297 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.574 -4.611 0.115 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.363 -5.490 2.186 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.839 -4.143 -0.177 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.631 -5.023 1.900 1.00 0.00 C ATOM 585 CZ PHE A 38 4.869 -4.349 0.717 1.00 0.00 C ATOM 0 H PHE A 38 -0.053 -2.785 2.287 1.00 0.00 H new ATOM 0 HA PHE A 38 0.154 -4.109 0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.906 -6.155 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.693 -6.616 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.770 -4.446 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.183 -6.016 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.022 -3.617 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.437 -5.185 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.860 -3.984 0.493 1.00 0.00 H new ATOM 595 N ASN A 39 -2.521 -4.542 1.655 1.00 0.00 N ATOM 596 CA ASN A 39 -3.898 -4.967 1.455 1.00 0.00 C ATOM 597 C ASN A 39 -4.418 -4.415 0.138 1.00 0.00 C ATOM 598 O ASN A 39 -4.636 -3.212 -0.004 1.00 0.00 O ATOM 599 CB ASN A 39 -4.778 -4.501 2.612 1.00 0.00 C ATOM 600 CG ASN A 39 -6.141 -5.167 2.609 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.461 -5.949 1.714 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.952 -4.859 3.615 1.00 0.00 N ATOM 0 H ASN A 39 -2.420 -3.666 2.167 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.930 -6.056 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.275 -4.714 3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.905 -3.420 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.881 -5.276 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.645 -4.205 4.336 1.00 0.00 H new ATOM 609 N THR A 40 -4.585 -5.300 -0.831 1.00 0.00 N ATOM 610 CA THR A 40 -5.047 -4.914 -2.152 1.00 0.00 C ATOM 611 C THR A 40 -6.529 -4.595 -2.118 1.00 0.00 C ATOM 612 O THR A 40 -7.083 -4.023 -3.058 1.00 0.00 O ATOM 613 CB THR A 40 -4.784 -6.035 -3.174 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.918 -6.907 -3.251 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.554 -6.841 -2.784 1.00 0.00 C ATOM 0 H THR A 40 -4.405 -6.298 -0.725 1.00 0.00 H new ATOM 0 HA THR A 40 -4.493 -4.026 -2.456 1.00 0.00 H new ATOM 0 HB THR A 40 -4.611 -5.574 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.742 -7.616 -3.905 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.386 -7.628 -3.520 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.685 -6.185 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.709 -7.289 -1.802 1.00 0.00 H new ATOM 623 N GLN A 41 -7.162 -4.991 -1.027 1.00 0.00 N ATOM 624 CA GLN A 41 -8.584 -4.783 -0.839 1.00 0.00 C ATOM 625 C GLN A 41 -8.871 -3.747 0.247 1.00 0.00 C ATOM 626 O GLN A 41 -10.026 -3.512 0.599 1.00 0.00 O ATOM 627 CB GLN A 41 -9.228 -6.117 -0.478 1.00 0.00 C ATOM 628 CG GLN A 41 -9.741 -6.897 -1.677 1.00 0.00 C ATOM 629 CD GLN A 41 -11.146 -6.492 -2.080 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.593 -5.384 -1.787 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.849 -7.394 -2.756 1.00 0.00 N ATOM 0 H GLN A 41 -6.704 -5.465 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.005 -4.397 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.500 -6.728 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.056 -5.936 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.067 -6.744 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.726 -7.962 -1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.437 -8.301 -2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.801 -7.180 -3.054 1.00 0.00 H new ATOM 640 N ALA A 42 -7.816 -3.140 0.786 1.00 0.00 N ATOM 641 CA ALA A 42 -7.964 -2.144 1.843 1.00 0.00 C ATOM 642 C ALA A 42 -8.555 -0.840 1.324 1.00 0.00 C ATOM 643 O ALA A 42 -8.211 -0.369 0.239 1.00 0.00 O ATOM 644 CB ALA A 42 -6.625 -1.870 2.505 1.00 0.00 C ATOM 0 H ALA A 42 -6.851 -3.320 0.508 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.657 -2.557 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.753 -1.125 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.238 -2.792 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.921 -1.496 1.761 1.00 0.00 H new ATOM 650 N THR A 43 -9.433 -0.260 2.130 1.00 0.00 N ATOM 651 CA THR A 43 -10.082 1.003 1.799 1.00 0.00 C ATOM 652 C THR A 43 -9.801 2.035 2.890 1.00 0.00 C ATOM 653 O THR A 43 -9.904 1.727 4.077 1.00 0.00 O ATOM 654 CB THR A 43 -11.606 0.831 1.653 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.248 1.043 2.916 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.949 -0.557 1.133 1.00 0.00 C ATOM 0 H THR A 43 -9.716 -0.649 3.029 1.00 0.00 H new ATOM 0 HA THR A 43 -9.677 1.343 0.846 1.00 0.00 H new ATOM 0 HB THR A 43 -11.963 1.569 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.216 0.933 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.031 -0.653 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.485 -0.705 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.577 -1.309 1.829 1.00 0.00 H new ATOM 664 N ASN A 44 -9.446 3.255 2.495 1.00 0.00 N ATOM 665 CA ASN A 44 -9.153 4.308 3.464 1.00 0.00 C ATOM 666 C ASN A 44 -9.987 5.556 3.185 1.00 0.00 C ATOM 667 O ASN A 44 -9.682 6.328 2.276 1.00 0.00 O ATOM 668 CB ASN A 44 -7.664 4.660 3.433 1.00 0.00 C ATOM 669 CG ASN A 44 -6.927 4.160 4.660 1.00 0.00 C ATOM 670 OD1 ASN A 44 -5.957 3.411 4.554 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.387 4.574 5.835 1.00 0.00 N ATOM 0 H ASN A 44 -9.355 3.538 1.519 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.412 3.935 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.210 4.231 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.550 5.742 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.932 4.271 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.195 5.195 5.876 1.00 0.00 H new ATOM 678 N ARG A 45 -11.041 5.744 3.972 1.00 0.00 N ATOM 679 CA ARG A 45 -11.926 6.893 3.810 1.00 0.00 C ATOM 680 C ARG A 45 -11.316 8.153 4.418 1.00 0.00 C ATOM 681 O ARG A 45 -10.932 8.167 5.587 1.00 0.00 O ATOM 682 CB ARG A 45 -13.284 6.611 4.455 1.00 0.00 C ATOM 683 CG ARG A 45 -13.984 5.386 3.889 1.00 0.00 C ATOM 684 CD ARG A 45 -14.937 4.771 4.901 1.00 0.00 C ATOM 685 NE ARG A 45 -16.051 5.662 5.215 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.103 5.299 5.942 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.185 4.068 6.428 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.076 6.168 6.183 1.00 0.00 N ATOM 0 H ARG A 45 -11.304 5.114 4.730 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.062 7.061 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.146 6.477 5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.928 7.481 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.535 5.663 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.241 4.646 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.324 3.830 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.392 4.535 5.815 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.020 6.616 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.440 3.396 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.994 3.793 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.017 7.116 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.883 5.888 6.741 1.00 0.00 H new ATOM 702 N ASN A 46 -11.235 9.209 3.614 1.00 0.00 N ATOM 703 CA ASN A 46 -10.676 10.480 4.066 1.00 0.00 C ATOM 704 C ASN A 46 -11.774 11.524 4.239 1.00 0.00 C ATOM 705 O ASN A 46 -12.945 11.261 3.961 1.00 0.00 O ATOM 706 CB ASN A 46 -9.629 10.982 3.072 1.00 0.00 C ATOM 707 CG ASN A 46 -8.788 9.858 2.499 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.294 9.001 3.233 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.621 9.854 1.182 1.00 0.00 N ATOM 0 H ASN A 46 -11.550 9.210 2.644 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.199 10.317 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.128 11.509 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.978 11.703 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.065 9.121 0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.048 10.584 0.612 1.00 0.00 H new ATOM 716 N THR A 47 -11.386 12.705 4.705 1.00 0.00 N ATOM 717 CA THR A 47 -12.336 13.792 4.924 1.00 0.00 C ATOM 718 C THR A 47 -12.434 14.708 3.707 1.00 0.00 C ATOM 719 O THR A 47 -13.410 15.442 3.550 1.00 0.00 O ATOM 720 CB THR A 47 -11.947 14.636 6.153 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.598 15.099 6.023 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.089 13.824 7.432 1.00 0.00 C ATOM 0 H THR A 47 -10.420 12.936 4.939 1.00 0.00 H new ATOM 0 HA THR A 47 -13.306 13.326 5.097 1.00 0.00 H new ATOM 0 HB THR A 47 -12.620 15.492 6.207 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.359 15.636 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.809 14.440 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.123 13.498 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.437 12.952 7.384 1.00 0.00 H new ATOM 730 N ASP A 48 -11.418 14.666 2.848 1.00 0.00 N ATOM 731 CA ASP A 48 -11.396 15.498 1.648 1.00 0.00 C ATOM 732 C ASP A 48 -12.530 15.123 0.698 1.00 0.00 C ATOM 733 O ASP A 48 -12.874 15.883 -0.207 1.00 0.00 O ATOM 734 CB ASP A 48 -10.049 15.368 0.935 1.00 0.00 C ATOM 735 CG ASP A 48 -9.799 13.967 0.413 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.454 13.024 0.903 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.946 13.811 -0.486 1.00 0.00 O ATOM 0 H ASP A 48 -10.601 14.066 2.960 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.537 16.534 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.012 16.073 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.250 15.643 1.623 1.00 0.00 H new ATOM 742 N GLY A 49 -13.110 13.946 0.915 1.00 0.00 N ATOM 743 CA GLY A 49 -14.202 13.489 0.074 1.00 0.00 C ATOM 744 C GLY A 49 -13.779 12.402 -0.895 1.00 0.00 C ATOM 745 O GLY A 49 -14.209 12.389 -2.049 1.00 0.00 O ATOM 0 H GLY A 49 -12.843 13.301 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.008 13.114 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.602 14.334 -0.486 1.00 0.00 H new ATOM 749 N SER A 50 -12.942 11.486 -0.423 1.00 0.00 N ATOM 750 CA SER A 50 -12.465 10.386 -1.253 1.00 0.00 C ATOM 751 C SER A 50 -12.033 9.202 -0.398 1.00 0.00 C ATOM 752 O SER A 50 -12.098 9.251 0.830 1.00 0.00 O ATOM 753 CB SER A 50 -11.305 10.842 -2.141 1.00 0.00 C ATOM 754 OG SER A 50 -10.567 11.881 -1.523 1.00 0.00 O ATOM 0 H SER A 50 -12.579 11.483 0.530 1.00 0.00 H new ATOM 0 HA SER A 50 -13.291 10.068 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.647 9.998 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.691 11.187 -3.100 1.00 0.00 H new ATOM 0 HG SER A 50 -10.552 11.740 -0.553 1.00 0.00 H new ATOM 760 N THR A 51 -11.600 8.136 -1.061 1.00 0.00 N ATOM 761 CA THR A 51 -11.163 6.931 -0.368 1.00 0.00 C ATOM 762 C THR A 51 -9.987 6.276 -1.083 1.00 0.00 C ATOM 763 O THR A 51 -9.703 6.581 -2.240 1.00 0.00 O ATOM 764 CB THR A 51 -12.314 5.915 -0.255 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.553 6.599 -0.038 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.068 4.933 0.880 1.00 0.00 C ATOM 0 H THR A 51 -11.542 8.082 -2.078 1.00 0.00 H new ATOM 0 HA THR A 51 -10.847 7.232 0.631 1.00 0.00 H new ATOM 0 HB THR A 51 -12.364 5.357 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.299 6.007 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.897 4.227 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.141 4.390 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.990 5.477 1.821 1.00 0.00 H new ATOM 774 N ASP A 52 -9.311 5.369 -0.385 1.00 0.00 N ATOM 775 CA ASP A 52 -8.167 4.660 -0.946 1.00 0.00 C ATOM 776 C ASP A 52 -8.479 3.179 -1.081 1.00 0.00 C ATOM 777 O ASP A 52 -8.228 2.394 -0.167 1.00 0.00 O ATOM 778 CB ASP A 52 -6.935 4.858 -0.062 1.00 0.00 C ATOM 779 CG ASP A 52 -6.465 6.300 -0.041 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.311 6.890 -1.130 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.252 6.838 1.066 1.00 0.00 O ATOM 0 H ASP A 52 -9.537 5.107 0.574 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.958 5.066 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.165 4.539 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.127 4.220 -0.421 1.00 0.00 H new ATOM 786 N TYR A 53 -9.038 2.807 -2.226 1.00 0.00 N ATOM 787 CA TYR A 53 -9.395 1.421 -2.478 1.00 0.00 C ATOM 788 C TYR A 53 -8.302 0.689 -3.248 1.00 0.00 C ATOM 789 O TYR A 53 -8.417 0.493 -4.454 1.00 0.00 O ATOM 790 CB TYR A 53 -10.700 1.330 -3.274 1.00 0.00 C ATOM 791 CG TYR A 53 -11.874 2.059 -2.660 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.471 1.596 -1.496 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.398 3.198 -3.258 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.555 2.250 -0.941 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.482 3.857 -2.711 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.056 3.378 -1.552 1.00 0.00 C ATOM 797 OH TYR A 53 -15.137 4.031 -1.004 1.00 0.00 O ATOM 0 H TYR A 53 -9.253 3.446 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.521 0.948 -1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.527 1.728 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.965 0.279 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.082 0.710 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.950 3.575 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.007 1.878 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.877 4.742 -3.188 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.365 4.808 -1.557 1.00 0.00 H new ATOM 807 N GLY A 54 -7.230 0.300 -2.575 1.00 0.00 N ATOM 808 CA GLY A 54 -6.169 -0.403 -3.271 1.00 0.00 C ATOM 809 C GLY A 54 -4.906 -0.535 -2.448 1.00 0.00 C ATOM 810 O GLY A 54 -4.707 0.207 -1.485 1.00 0.00 O ATOM 0 H GLY A 54 -7.075 0.454 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.521 -1.397 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.939 0.124 -4.197 1.00 0.00 H new ATOM 814 N ILE A 55 -4.034 -1.457 -2.847 1.00 0.00 N ATOM 815 CA ILE A 55 -2.769 -1.644 -2.155 1.00 0.00 C ATOM 816 C ILE A 55 -1.935 -0.386 -2.346 1.00 0.00 C ATOM 817 O ILE A 55 -1.082 -0.046 -1.526 1.00 0.00 O ATOM 818 CB ILE A 55 -1.990 -2.867 -2.689 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.797 -3.176 -1.782 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.525 -2.616 -4.115 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.196 -4.545 -2.023 1.00 0.00 C ATOM 0 H ILE A 55 -4.181 -2.081 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.972 -1.827 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.655 -3.730 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.028 -2.418 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.113 -3.104 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.978 -3.486 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.390 -2.439 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.873 -1.743 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.645 -4.698 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.951 -5.311 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.151 -4.614 -3.054 1.00 0.00 H new ATOM 833 N LEU A 56 -2.233 0.317 -3.438 1.00 0.00 N ATOM 834 CA LEU A 56 -1.569 1.566 -3.768 1.00 0.00 C ATOM 835 C LEU A 56 -2.547 2.719 -3.565 1.00 0.00 C ATOM 836 O LEU A 56 -2.250 3.867 -3.896 1.00 0.00 O ATOM 837 CB LEU A 56 -1.059 1.554 -5.218 1.00 0.00 C ATOM 838 CG LEU A 56 0.458 1.741 -5.388 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.974 2.846 -4.480 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.185 0.434 -5.107 1.00 0.00 C ATOM 0 H LEU A 56 -2.941 0.033 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.707 1.692 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.344 0.608 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.569 2.343 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 56 0.654 2.034 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.049 2.959 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.476 3.783 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.767 2.589 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.258 0.581 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.978 0.115 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.840 -0.331 -5.803 1.00 0.00 H new ATOM 852 N GLN A 57 -3.717 2.391 -3.001 1.00 0.00 N ATOM 853 CA GLN A 57 -4.764 3.373 -2.720 1.00 0.00 C ATOM 854 C GLN A 57 -5.444 3.868 -3.994 1.00 0.00 C ATOM 855 O GLN A 57 -5.201 4.994 -4.428 1.00 0.00 O ATOM 856 CB GLN A 57 -4.188 4.560 -1.943 1.00 0.00 C ATOM 857 CG GLN A 57 -3.524 4.165 -0.633 1.00 0.00 C ATOM 858 CD GLN A 57 -3.341 5.342 0.304 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.828 6.391 -0.089 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.760 5.175 1.554 1.00 0.00 N ATOM 0 H GLN A 57 -3.961 1.439 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.519 2.873 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.459 5.075 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.988 5.271 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.127 3.402 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.553 3.717 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.179 4.289 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.662 5.932 2.230 1.00 0.00 H new ATOM 869 N ILE A 58 -6.299 3.034 -4.600 1.00 0.00 N ATOM 870 CA ILE A 58 -6.981 3.434 -5.814 1.00 0.00 C ATOM 871 C ILE A 58 -8.211 4.249 -5.474 1.00 0.00 C ATOM 872 O ILE A 58 -9.281 3.698 -5.215 1.00 0.00 O ATOM 873 CB ILE A 58 -7.388 2.216 -6.665 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.257 1.184 -6.703 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.761 2.656 -8.073 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.913 1.763 -7.096 1.00 0.00 C ATOM 0 H ILE A 58 -6.525 2.096 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.287 4.039 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.260 1.749 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.169 0.719 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.522 0.395 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.046 1.785 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.598 3.353 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.906 3.146 -8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.163 0.972 -7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.983 2.202 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.625 2.532 -6.379 1.00 0.00 H new ATOM 888 N ASN A 59 -8.057 5.566 -5.484 1.00 0.00 N ATOM 889 CA ASN A 59 -9.164 6.450 -5.185 1.00 0.00 C ATOM 890 C ASN A 59 -10.201 6.348 -6.286 1.00 0.00 C ATOM 891 O ASN A 59 -10.071 6.980 -7.334 1.00 0.00 O ATOM 892 CB ASN A 59 -8.672 7.890 -5.049 1.00 0.00 C ATOM 893 CG ASN A 59 -9.770 8.851 -4.631 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.875 8.314 -4.121 1.00 0.00 O flip ATOM 895 ND2 ASN A 59 -9.627 10.067 -4.760 1.00 0.00 N flip ATOM 0 H ASN A 59 -7.179 6.040 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.616 6.153 -4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.866 7.926 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.252 8.217 -6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.764 10.440 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.372 10.702 -4.471 1.00 0.00 H new ATOM 902 N SER A 60 -11.231 5.549 -6.049 1.00 0.00 N ATOM 903 CA SER A 60 -12.292 5.365 -7.032 1.00 0.00 C ATOM 904 C SER A 60 -13.079 6.654 -7.259 1.00 0.00 C ATOM 905 O SER A 60 -13.820 6.770 -8.234 1.00 0.00 O ATOM 906 CB SER A 60 -13.240 4.253 -6.582 1.00 0.00 C ATOM 907 OG SER A 60 -14.194 4.739 -5.654 1.00 0.00 O ATOM 0 H SER A 60 -11.356 5.018 -5.187 1.00 0.00 H new ATOM 0 HA SER A 60 -11.823 5.085 -7.975 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.752 3.835 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.667 3.444 -6.129 1.00 0.00 H new ATOM 0 HG SER A 60 -15.091 4.458 -5.930 1.00 0.00 H new ATOM 913 N ARG A 61 -12.920 7.624 -6.360 1.00 0.00 N ATOM 914 CA ARG A 61 -13.625 8.897 -6.483 1.00 0.00 C ATOM 915 C ARG A 61 -12.740 9.940 -7.160 1.00 0.00 C ATOM 916 O ARG A 61 -12.954 11.143 -7.014 1.00 0.00 O ATOM 917 CB ARG A 61 -14.061 9.397 -5.105 1.00 0.00 C ATOM 918 CG ARG A 61 -15.255 10.336 -5.147 1.00 0.00 C ATOM 919 CD ARG A 61 -16.276 9.988 -4.076 1.00 0.00 C ATOM 920 NE ARG A 61 -15.675 9.918 -2.746 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.335 9.532 -1.659 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.611 9.180 -1.742 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.717 9.495 -0.485 1.00 0.00 N ATOM 0 H ARG A 61 -12.313 7.553 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.510 8.739 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.306 8.540 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.223 9.909 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.917 11.363 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.725 10.285 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.070 10.735 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.739 9.031 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.694 10.180 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.089 9.205 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.114 8.884 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.735 9.763 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.224 9.199 0.349 1.00 0.00 H new ATOM 937 N TRP A 62 -11.746 9.464 -7.901 1.00 0.00 N ATOM 938 CA TRP A 62 -10.828 10.358 -8.602 1.00 0.00 C ATOM 939 C TRP A 62 -10.060 9.666 -9.730 1.00 0.00 C ATOM 940 O TRP A 62 -9.370 10.333 -10.503 1.00 0.00 O ATOM 941 CB TRP A 62 -9.838 10.972 -7.610 1.00 0.00 C ATOM 942 CG TRP A 62 -9.486 12.396 -7.921 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.352 13.409 -8.217 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.172 12.964 -7.967 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.657 14.572 -8.445 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.317 14.325 -8.298 1.00 0.00 C ATOM 947 CE3 TRP A 62 -6.887 12.454 -7.761 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -7.226 15.180 -8.425 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -5.804 13.305 -7.888 1.00 0.00 C ATOM 950 CH2 TRP A 62 -5.980 14.654 -8.217 1.00 0.00 C ATOM 0 H TRP A 62 -11.555 8.471 -8.032 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.439 11.136 -9.061 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.262 10.921 -6.607 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.927 10.374 -7.601 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.426 13.311 -8.265 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.071 15.473 -8.685 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -6.742 11.414 -7.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -7.358 16.221 -8.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.806 12.922 -7.731 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.114 15.293 -8.309 1.00 0.00 H new ATOM 961 N TRP A 63 -10.152 8.341 -9.823 1.00 0.00 N ATOM 962 CA TRP A 63 -9.428 7.615 -10.860 1.00 0.00 C ATOM 963 C TRP A 63 -10.321 6.636 -11.612 1.00 0.00 C ATOM 964 O TRP A 63 -10.620 6.828 -12.789 1.00 0.00 O ATOM 965 CB TRP A 63 -8.247 6.857 -10.242 1.00 0.00 C ATOM 966 CG TRP A 63 -7.176 7.761 -9.715 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.585 7.724 -8.483 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.578 8.847 -10.415 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.646 8.726 -8.385 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.626 9.431 -9.562 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.761 9.376 -11.686 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.858 10.527 -9.950 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.010 10.458 -12.073 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.064 11.030 -11.209 1.00 0.00 C ATOM 0 H TRP A 63 -10.712 7.757 -9.202 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.067 8.353 -11.577 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.613 6.227 -9.431 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.817 6.194 -10.992 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.820 7.015 -7.703 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.061 8.914 -7.571 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.484 8.942 -12.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.128 10.964 -9.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.150 10.876 -13.059 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.488 11.881 -11.541 1.00 0.00 H new ATOM 985 N CYS A 64 -10.704 5.567 -10.933 1.00 0.00 N ATOM 986 CA CYS A 64 -11.524 4.534 -11.551 1.00 0.00 C ATOM 987 C CYS A 64 -13.011 4.766 -11.352 1.00 0.00 C ATOM 988 O CYS A 64 -13.438 5.423 -10.403 1.00 0.00 O ATOM 989 CB CYS A 64 -11.142 3.154 -11.010 1.00 0.00 C ATOM 990 SG CYS A 64 -11.941 2.715 -9.429 1.00 0.00 S ATOM 0 H CYS A 64 -10.462 5.391 -9.958 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.327 4.581 -12.622 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.400 2.401 -11.755 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.061 3.115 -10.879 1.00 0.00 H new ATOM 995 N ASN A 65 -13.790 4.200 -12.267 1.00 0.00 N ATOM 996 CA ASN A 65 -15.243 4.309 -12.222 1.00 0.00 C ATOM 997 C ASN A 65 -15.851 3.049 -11.617 1.00 0.00 C ATOM 998 O ASN A 65 -15.862 1.989 -12.242 1.00 0.00 O ATOM 999 CB ASN A 65 -15.804 4.540 -13.627 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.231 5.053 -13.602 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.483 6.203 -13.243 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.174 4.200 -13.985 1.00 0.00 N ATOM 0 H ASN A 65 -13.436 3.657 -13.055 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.506 5.161 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.173 5.255 -14.154 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.766 3.607 -14.189 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.152 4.489 -13.989 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.920 3.256 -14.275 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.347 3.172 -10.392 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.948 2.041 -9.694 1.00 0.00 C ATOM 1011 C ASP A 66 -18.456 1.984 -9.927 1.00 0.00 C ATOM 1012 O ASP A 66 -19.102 0.983 -9.618 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.646 2.120 -8.198 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.010 3.466 -7.599 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.694 4.256 -8.281 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.609 3.728 -6.445 1.00 0.00 O ATOM 0 H ASP A 66 -16.345 4.043 -9.861 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.511 1.127 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.195 1.335 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.585 1.929 -8.035 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.008 3.059 -10.482 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.435 3.105 -10.756 1.00 0.00 C ATOM 1023 C GLY A 67 -21.278 3.238 -9.502 1.00 0.00 C ATOM 1024 O GLY A 67 -22.482 3.486 -9.583 1.00 0.00 O ATOM 0 H GLY A 67 -18.494 3.899 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.645 3.945 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.726 2.199 -11.288 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.653 3.077 -8.340 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.365 3.183 -7.072 1.00 0.00 C ATOM 1030 C ARG A 68 -21.174 4.564 -6.456 1.00 0.00 C ATOM 1031 O ARG A 68 -21.665 4.841 -5.361 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.886 2.103 -6.097 1.00 0.00 C ATOM 1033 CG ARG A 68 -19.422 2.234 -5.712 1.00 0.00 C ATOM 1034 CD ARG A 68 -18.774 0.873 -5.518 1.00 0.00 C ATOM 1035 NE ARG A 68 -18.074 0.777 -4.239 1.00 0.00 N ATOM 1036 CZ ARG A 68 -17.030 -0.019 -4.026 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -16.565 -0.784 -5.004 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -16.451 -0.049 -2.834 1.00 0.00 N ATOM 0 H ARG A 68 -19.658 2.873 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.427 3.036 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -21.495 2.145 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.048 1.123 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -18.889 2.785 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.337 2.813 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.537 0.097 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.072 0.687 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 68 -18.405 1.353 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.008 -0.763 -5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.764 -1.394 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.806 0.539 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.650 -0.660 -2.671 1.00 0.00 H new ATOM 1052 N THR A 69 -20.460 5.430 -7.168 1.00 0.00 N ATOM 1053 CA THR A 69 -20.204 6.785 -6.695 1.00 0.00 C ATOM 1054 C THR A 69 -20.085 7.760 -7.863 1.00 0.00 C ATOM 1055 O THR A 69 -19.100 7.737 -8.601 1.00 0.00 O ATOM 1056 CB THR A 69 -18.917 6.852 -5.852 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.700 5.602 -5.185 1.00 0.00 O ATOM 1058 CG2 THR A 69 -19.003 7.970 -4.824 1.00 0.00 C ATOM 0 H THR A 69 -20.048 5.217 -8.076 1.00 0.00 H new ATOM 0 HA THR A 69 -21.052 7.069 -6.072 1.00 0.00 H new ATOM 0 HB THR A 69 -18.081 7.056 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.009 5.094 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.083 7.999 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.139 8.924 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.849 7.790 -4.160 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.091 8.635 -8.048 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.091 9.618 -9.136 1.00 0.00 C ATOM 1068 C PRO A 70 -20.102 10.754 -8.894 1.00 0.00 C ATOM 1069 O PRO A 70 -20.028 11.702 -9.676 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.525 10.150 -9.129 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.983 9.975 -7.723 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.306 8.731 -7.215 1.00 0.00 C ATOM 0 HA PRO A 70 -20.788 9.176 -10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.561 11.197 -9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.157 9.596 -9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.716 10.840 -7.116 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.067 9.875 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.061 8.811 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.942 7.853 -7.330 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.343 10.652 -7.807 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.370 11.678 -7.482 1.00 0.00 C ATOM 1082 C GLY A 71 -16.983 11.352 -8.002 1.00 0.00 C ATOM 1083 O GLY A 71 -16.024 12.067 -7.715 1.00 0.00 O ATOM 0 H GLY A 71 -19.385 9.877 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.697 12.629 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.328 11.804 -6.400 1.00 0.00 H new ATOM 1087 N SER A 72 -16.878 10.265 -8.762 1.00 0.00 N ATOM 1088 CA SER A 72 -15.598 9.837 -9.320 1.00 0.00 C ATOM 1089 C SER A 72 -15.069 10.853 -10.333 1.00 0.00 C ATOM 1090 O SER A 72 -15.156 12.062 -10.117 1.00 0.00 O ATOM 1091 CB SER A 72 -15.748 8.462 -9.977 1.00 0.00 C ATOM 1092 OG SER A 72 -16.386 7.546 -9.105 1.00 0.00 O ATOM 0 H SER A 72 -17.665 9.664 -9.006 1.00 0.00 H new ATOM 0 HA SER A 72 -14.877 9.769 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.326 8.556 -10.896 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.766 8.080 -10.256 1.00 0.00 H new ATOM 0 HG SER A 72 -17.348 7.733 -9.081 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.520 10.358 -11.442 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.979 11.218 -12.488 1.00 0.00 C ATOM 1100 C ARG A 73 -13.575 10.375 -13.693 1.00 0.00 C ATOM 1101 O ARG A 73 -13.764 10.777 -14.841 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.770 12.001 -11.968 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.910 13.507 -12.120 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.373 13.984 -13.459 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.534 15.426 -13.631 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.936 16.125 -14.590 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.141 15.519 -15.461 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.135 17.434 -14.680 1.00 0.00 N ATOM 0 H ARG A 73 -14.439 9.360 -11.637 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.749 11.929 -12.788 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.619 11.763 -10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.878 11.672 -12.501 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.959 13.787 -12.027 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.374 14.007 -11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.317 13.725 -13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.891 13.463 -14.264 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.139 15.924 -12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.987 14.513 -15.396 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.684 16.059 -16.196 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.747 17.904 -14.013 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.676 17.970 -15.416 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.018 9.198 -13.408 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.580 8.265 -14.446 1.00 0.00 C ATOM 1124 C ASN A 74 -11.376 8.826 -15.189 1.00 0.00 C ATOM 1125 O ASN A 74 -11.155 8.526 -16.363 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.719 7.974 -15.427 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.628 6.583 -16.025 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.873 6.390 -17.216 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.277 5.605 -15.198 1.00 0.00 N ATOM 0 H ASN A 74 -12.858 8.866 -12.457 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.291 7.330 -13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.674 8.083 -14.913 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.702 8.713 -16.228 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.201 4.648 -15.543 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.083 5.811 -14.218 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.584 9.619 -14.476 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.381 10.210 -15.014 1.00 0.00 C ATOM 1138 C LEU A 75 -8.469 9.140 -15.548 1.00 0.00 C ATOM 1139 O LEU A 75 -7.901 9.228 -16.637 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.670 10.904 -13.874 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.998 12.384 -13.700 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.246 12.965 -12.513 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.682 13.162 -14.969 1.00 0.00 C ATOM 0 H LEU A 75 -10.766 9.867 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.635 10.900 -15.818 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.913 10.384 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.595 10.803 -14.024 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.067 12.473 -13.505 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.494 14.021 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.531 12.432 -11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.173 12.859 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.924 14.214 -14.820 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.622 13.063 -15.202 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.273 12.767 -15.795 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.352 8.139 -14.722 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.535 6.991 -14.979 1.00 0.00 C ATOM 1157 C CYS A 76 -8.270 6.023 -15.896 1.00 0.00 C ATOM 1158 O CYS A 76 -7.659 5.298 -16.680 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.240 6.364 -13.638 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.538 5.767 -13.416 1.00 0.00 S ATOM 0 H CYS A 76 -8.837 8.100 -13.826 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.607 7.261 -15.483 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.455 7.095 -12.859 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.923 5.528 -13.488 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.596 6.028 -15.780 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.445 5.159 -16.586 1.00 0.00 C ATOM 1167 C ASN A 77 -10.005 3.714 -16.425 1.00 0.00 C ATOM 1168 O ASN A 77 -9.725 3.021 -17.403 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.386 5.569 -18.059 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.674 5.260 -18.798 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.224 6.114 -19.493 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.162 4.034 -18.652 1.00 0.00 N ATOM 0 H ASN A 77 -10.106 6.628 -15.132 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.475 5.258 -16.242 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.178 6.637 -18.128 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.559 5.051 -18.544 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.026 3.769 -19.126 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.673 3.357 -18.066 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.929 3.273 -15.176 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.503 1.918 -14.879 1.00 0.00 C ATOM 1181 C ILE A 78 -10.609 1.116 -14.198 1.00 0.00 C ATOM 1182 O ILE A 78 -11.473 1.682 -13.531 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.240 1.914 -13.990 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.597 1.621 -12.522 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.525 3.245 -14.123 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.807 2.431 -11.514 1.00 0.00 C ATOM 0 H ILE A 78 -10.157 3.835 -14.356 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.269 1.444 -15.832 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.574 1.119 -14.325 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.659 1.814 -12.373 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.435 0.561 -12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.633 3.243 -13.496 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.237 3.401 -15.163 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.190 4.048 -13.806 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.121 2.163 -10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.744 2.221 -11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.987 3.493 -11.679 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.585 -0.218 -14.339 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.574 -1.086 -13.710 1.00 0.00 C ATOM 1200 C PRO A 79 -11.235 -1.314 -12.242 1.00 0.00 C ATOM 1201 O PRO A 79 -10.206 -1.908 -11.920 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.451 -2.381 -14.509 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.026 -2.420 -14.946 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.581 -0.987 -15.103 1.00 0.00 C ATOM 0 HA PRO A 79 -12.582 -0.672 -13.719 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.702 -3.249 -13.899 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.128 -2.385 -15.363 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.410 -2.938 -14.211 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.924 -2.962 -15.886 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.576 -0.835 -14.708 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.561 -0.687 -16.151 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.091 -0.824 -11.352 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.860 -0.962 -9.921 1.00 0.00 C ATOM 1214 C CYS A 80 -11.872 -2.426 -9.486 1.00 0.00 C ATOM 1215 O CYS A 80 -10.880 -2.932 -8.968 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.907 -0.161 -9.144 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.397 1.398 -9.956 1.00 0.00 S ATOM 0 H CYS A 80 -12.949 -0.329 -11.597 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.869 -0.566 -9.699 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.793 -0.780 -9.003 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.515 0.065 -8.152 1.00 0.00 H new ATOM 1222 N SER A 81 -13.003 -3.098 -9.680 1.00 0.00 N ATOM 1223 CA SER A 81 -13.142 -4.499 -9.289 1.00 0.00 C ATOM 1224 C SER A 81 -12.072 -5.387 -9.929 1.00 0.00 C ATOM 1225 O SER A 81 -11.726 -6.435 -9.383 1.00 0.00 O ATOM 1226 CB SER A 81 -14.533 -5.014 -9.665 1.00 0.00 C ATOM 1227 OG SER A 81 -14.655 -5.175 -11.067 1.00 0.00 O ATOM 0 H SER A 81 -13.838 -2.695 -10.106 1.00 0.00 H new ATOM 0 HA SER A 81 -13.009 -4.548 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.718 -5.967 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.291 -4.317 -9.308 1.00 0.00 H new ATOM 0 HG SER A 81 -15.552 -5.507 -11.281 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.554 -4.976 -11.084 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.530 -5.756 -11.778 1.00 0.00 C ATOM 1235 C ALA A 82 -9.173 -5.627 -11.094 1.00 0.00 C ATOM 1236 O ALA A 82 -8.244 -6.381 -11.383 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.432 -5.326 -13.233 1.00 0.00 C ATOM 0 H ALA A 82 -11.823 -4.114 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.826 -6.804 -11.738 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.666 -5.916 -13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.392 -5.484 -13.724 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.168 -4.270 -13.283 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.073 -4.672 -10.178 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.837 -4.446 -9.437 1.00 0.00 C ATOM 1245 C LEU A 83 -7.935 -5.055 -8.045 1.00 0.00 C ATOM 1246 O LEU A 83 -6.949 -5.126 -7.312 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.535 -2.945 -9.339 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.118 -2.232 -8.115 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.071 -2.106 -7.019 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.650 -0.861 -8.505 1.00 0.00 C ATOM 0 H LEU A 83 -9.834 -4.040 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.021 -4.929 -9.974 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.453 -2.810 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.914 -2.457 -10.237 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.945 -2.828 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.505 -1.597 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.734 -3.099 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.222 -1.532 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.061 -0.366 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.839 -0.259 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.432 -0.974 -9.256 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.140 -5.482 -7.686 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.388 -6.074 -6.381 1.00 0.00 C ATOM 1264 C LEU A 84 -9.717 -7.558 -6.505 1.00 0.00 C ATOM 1265 O LEU A 84 -10.595 -8.073 -5.812 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.527 -5.325 -5.695 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.599 -3.842 -6.057 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.036 -3.351 -6.035 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.731 -3.021 -5.116 1.00 0.00 C ATOM 0 H LEU A 84 -9.963 -5.428 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.485 -5.988 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.472 -5.800 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.413 -5.420 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.217 -3.717 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.063 -2.293 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.625 -3.918 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.453 -3.490 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.794 -1.968 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.080 -3.152 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.696 -3.354 -5.192 1.00 0.00 H new ATOM 1281 N SER A 85 -8.988 -8.238 -7.381 1.00 0.00 N ATOM 1282 CA SER A 85 -9.179 -9.670 -7.588 1.00 0.00 C ATOM 1283 C SER A 85 -7.859 -10.401 -7.431 1.00 0.00 C ATOM 1284 O SER A 85 -7.569 -11.370 -8.135 1.00 0.00 O ATOM 1285 CB SER A 85 -9.788 -9.945 -8.965 1.00 0.00 C ATOM 1286 OG SER A 85 -10.833 -10.898 -8.879 1.00 0.00 O ATOM 0 H SER A 85 -8.259 -7.822 -7.960 1.00 0.00 H new ATOM 0 HA SER A 85 -9.874 -10.039 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.172 -9.017 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.015 -10.308 -9.642 1.00 0.00 H new ATOM 0 HG SER A 85 -11.207 -11.055 -9.771 1.00 0.00 H new ATOM 1292 N SER A 86 -7.069 -9.891 -6.504 1.00 0.00 N ATOM 1293 CA SER A 86 -5.745 -10.426 -6.201 1.00 0.00 C ATOM 1294 C SER A 86 -4.806 -10.037 -7.319 1.00 0.00 C ATOM 1295 O SER A 86 -3.763 -10.654 -7.538 1.00 0.00 O ATOM 1296 CB SER A 86 -5.783 -11.948 -6.034 1.00 0.00 C ATOM 1297 OG SER A 86 -4.556 -12.437 -5.521 1.00 0.00 O ATOM 0 H SER A 86 -7.326 -9.086 -5.932 1.00 0.00 H new ATOM 0 HA SER A 86 -5.395 -10.009 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.596 -12.223 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.991 -12.417 -6.996 1.00 0.00 H new ATOM 0 HG SER A 86 -3.815 -12.099 -6.067 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.229 -9.017 -8.048 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.501 -8.513 -9.190 1.00 0.00 C ATOM 1305 C ASP A 87 -4.188 -7.031 -9.033 1.00 0.00 C ATOM 1306 O ASP A 87 -5.097 -6.201 -8.976 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.370 -8.731 -10.416 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.606 -8.584 -11.717 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.541 -9.222 -11.856 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.071 -7.829 -12.597 1.00 0.00 O ATOM 0 H ASP A 87 -6.096 -8.514 -7.858 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.550 -9.038 -9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.810 -9.727 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.194 -8.017 -10.402 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.904 -6.695 -8.971 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.498 -5.303 -8.831 1.00 0.00 C ATOM 1317 C ILE A 88 -2.317 -4.646 -10.189 1.00 0.00 C ATOM 1318 O ILE A 88 -2.079 -3.445 -10.270 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.189 -5.151 -8.033 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.295 -6.381 -8.211 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.494 -4.909 -6.564 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.183 -6.055 -8.229 1.00 0.00 C ATOM 0 H ILE A 88 -2.133 -7.362 -9.015 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.300 -4.810 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.647 -4.288 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.494 -7.085 -7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.560 -6.881 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.561 -4.803 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.083 -3.997 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.058 -5.752 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.756 -6.973 -8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.396 -5.375 -9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.463 -5.582 -7.288 1.00 0.00 H new ATOM 1334 N THR A 89 -2.421 -5.438 -11.252 1.00 0.00 N ATOM 1335 CA THR A 89 -2.261 -4.924 -12.607 1.00 0.00 C ATOM 1336 C THR A 89 -3.041 -3.628 -12.803 1.00 0.00 C ATOM 1337 O THR A 89 -2.473 -2.606 -13.184 1.00 0.00 O ATOM 1338 CB THR A 89 -2.724 -5.952 -13.656 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.220 -7.251 -13.326 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.252 -5.558 -15.047 1.00 0.00 C ATOM 0 H THR A 89 -2.615 -6.438 -11.201 1.00 0.00 H new ATOM 0 HA THR A 89 -1.198 -4.727 -12.745 1.00 0.00 H new ATOM 0 HB THR A 89 -3.814 -5.974 -13.653 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.520 -7.899 -13.997 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.592 -6.300 -15.770 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.662 -4.582 -15.308 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.163 -5.509 -15.061 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.345 -3.681 -12.554 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.201 -2.521 -12.714 1.00 0.00 C ATOM 1350 C ALA A 90 -4.796 -1.382 -11.778 1.00 0.00 C ATOM 1351 O ALA A 90 -4.732 -0.222 -12.190 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.655 -2.904 -12.490 1.00 0.00 C ATOM 0 H ALA A 90 -4.830 -4.521 -12.239 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.082 -2.161 -13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.286 -2.024 -12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.947 -3.664 -13.215 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.776 -3.299 -11.481 1.00 0.00 H new ATOM 1358 N SER A 91 -4.510 -1.719 -10.521 1.00 0.00 N ATOM 1359 CA SER A 91 -4.101 -0.721 -9.534 1.00 0.00 C ATOM 1360 C SER A 91 -2.793 -0.061 -9.935 1.00 0.00 C ATOM 1361 O SER A 91 -2.580 1.128 -9.689 1.00 0.00 O ATOM 1362 CB SER A 91 -3.954 -1.366 -8.155 1.00 0.00 C ATOM 1363 OG SER A 91 -4.271 -2.746 -8.199 1.00 0.00 O ATOM 0 H SER A 91 -4.554 -2.673 -10.163 1.00 0.00 H new ATOM 0 HA SER A 91 -4.876 0.045 -9.491 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.933 -1.236 -7.797 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.608 -0.862 -7.443 1.00 0.00 H new ATOM 0 HG SER A 91 -4.323 -3.099 -7.286 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.917 -0.835 -10.558 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.640 -0.303 -10.982 1.00 0.00 C ATOM 1371 C VAL A 92 -0.799 0.570 -12.205 1.00 0.00 C ATOM 1372 O VAL A 92 -0.339 1.697 -12.211 1.00 0.00 O ATOM 1373 CB VAL A 92 0.410 -1.384 -11.286 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.637 -0.743 -11.932 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.791 -2.135 -10.019 1.00 0.00 C ATOM 0 H VAL A 92 -2.068 -1.820 -10.777 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.279 0.281 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.015 -2.106 -11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.379 -1.512 -12.146 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.345 -0.252 -12.860 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.064 -0.007 -11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.535 -2.895 -10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.205 -1.436 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.094 -2.612 -9.599 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.454 0.054 -13.237 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.660 0.813 -14.445 1.00 0.00 C ATOM 1387 C ASN A 93 -2.052 2.240 -14.106 1.00 0.00 C ATOM 1388 O ASN A 93 -1.545 3.201 -14.692 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.718 0.140 -15.301 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.892 1.044 -15.622 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.858 1.119 -14.863 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.815 1.736 -16.753 1.00 0.00 N ATOM 0 H ASN A 93 -1.848 -0.887 -13.253 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.731 0.847 -15.014 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.262 -0.197 -16.232 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.082 -0.748 -14.785 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.576 2.360 -17.022 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.995 1.643 -17.353 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.942 2.365 -13.132 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.393 3.668 -12.687 1.00 0.00 C ATOM 1401 C CYS A 94 -2.241 4.461 -12.085 1.00 0.00 C ATOM 1402 O CYS A 94 -2.045 5.628 -12.420 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.515 3.529 -11.664 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.558 5.011 -11.532 1.00 0.00 S ATOM 0 H CYS A 94 -3.363 1.579 -12.638 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.773 4.205 -13.556 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.139 2.677 -11.934 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.082 3.310 -10.688 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.482 3.827 -11.190 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.360 4.506 -10.551 1.00 0.00 C ATOM 1411 C ALA A 95 0.766 4.756 -11.538 1.00 0.00 C ATOM 1412 O ALA A 95 1.383 5.813 -11.518 1.00 0.00 O ATOM 1413 CB ALA A 95 0.143 3.740 -9.353 1.00 0.00 C ATOM 0 H ALA A 95 -1.622 2.860 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.725 5.471 -10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.979 4.276 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.659 3.640 -8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.474 2.750 -9.667 1.00 0.00 H new ATOM 1419 N LYS A 96 1.019 3.794 -12.421 1.00 0.00 N ATOM 1420 CA LYS A 96 2.049 3.958 -13.429 1.00 0.00 C ATOM 1421 C LYS A 96 1.812 5.308 -14.092 1.00 0.00 C ATOM 1422 O LYS A 96 2.735 6.059 -14.414 1.00 0.00 O ATOM 1423 CB LYS A 96 1.971 2.836 -14.466 1.00 0.00 C ATOM 1424 CG LYS A 96 3.164 2.793 -15.407 1.00 0.00 C ATOM 1425 CD LYS A 96 2.730 2.892 -16.861 1.00 0.00 C ATOM 1426 CE LYS A 96 2.470 1.518 -17.459 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.991 1.410 -18.850 1.00 0.00 N ATOM 0 H LYS A 96 0.527 2.901 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 96 3.040 3.915 -12.977 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.892 1.880 -13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.060 2.957 -15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.844 3.612 -15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.717 1.866 -15.253 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.827 3.498 -16.932 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.502 3.401 -17.438 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.938 0.756 -16.836 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.399 1.318 -17.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.794 0.459 -19.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.526 2.120 -19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.018 1.576 -18.850 1.00 0.00 H new ATOM 1441 N LYS A 97 0.522 5.606 -14.225 1.00 0.00 N ATOM 1442 CA LYS A 97 0.065 6.866 -14.787 1.00 0.00 C ATOM 1443 C LYS A 97 0.120 7.959 -13.726 1.00 0.00 C ATOM 1444 O LYS A 97 0.383 9.122 -14.032 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.359 6.728 -15.331 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.442 6.819 -16.847 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.289 5.698 -17.426 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.671 5.132 -18.695 1.00 0.00 C ATOM 1449 NZ LYS A 97 -2.461 3.992 -19.237 1.00 0.00 N ATOM 0 H LYS A 97 -0.232 4.979 -13.945 1.00 0.00 H new ATOM 0 HA LYS A 97 0.723 7.138 -15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.771 5.771 -15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.983 7.507 -14.894 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.866 7.782 -17.132 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.439 6.775 -17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.398 4.904 -16.687 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.290 6.071 -17.642 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.604 5.918 -19.448 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.653 4.802 -18.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.007 3.635 -20.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.504 3.232 -18.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.425 4.312 -19.460 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.110 7.572 -12.473 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.067 8.516 -11.366 1.00 0.00 C ATOM 1465 C ILE A 98 1.330 9.121 -11.235 1.00 0.00 C ATOM 1466 O ILE A 98 1.493 10.339 -11.173 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.480 7.864 -10.030 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.974 7.511 -10.053 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.178 8.794 -8.864 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.417 6.668 -8.876 1.00 0.00 C ATOM 0 H ILE A 98 -0.327 6.613 -12.203 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.787 9.304 -11.589 1.00 0.00 H new ATOM 0 HB ILE A 98 0.097 6.949 -9.899 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.556 8.432 -10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.198 6.977 -10.976 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.476 8.316 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.890 9.008 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.731 9.725 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.483 6.458 -8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.862 5.730 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.225 7.208 -7.949 1.00 0.00 H new ATOM 1482 N VAL A 99 2.332 8.247 -11.190 1.00 0.00 N ATOM 1483 CA VAL A 99 3.720 8.672 -11.063 1.00 0.00 C ATOM 1484 C VAL A 99 4.240 9.271 -12.366 1.00 0.00 C ATOM 1485 O VAL A 99 5.182 10.063 -12.359 1.00 0.00 O ATOM 1486 CB VAL A 99 4.635 7.512 -10.624 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.994 6.619 -11.803 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.890 8.050 -9.951 1.00 0.00 C ATOM 0 H VAL A 99 2.206 7.236 -11.240 1.00 0.00 H new ATOM 0 HA VAL A 99 3.741 9.440 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 99 4.089 6.905 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.640 5.810 -11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.084 6.201 -12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.515 7.206 -12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.525 7.218 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.434 8.685 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.611 8.633 -9.073 1.00 0.00 H new ATOM 1498 N SER A 100 3.610 8.909 -13.484 1.00 0.00 N ATOM 1499 CA SER A 100 4.010 9.441 -14.782 1.00 0.00 C ATOM 1500 C SER A 100 3.288 10.757 -15.058 1.00 0.00 C ATOM 1501 O SER A 100 3.583 11.451 -16.032 1.00 0.00 O ATOM 1502 CB SER A 100 3.706 8.435 -15.894 1.00 0.00 C ATOM 1503 OG SER A 100 4.845 7.649 -16.197 1.00 0.00 O ATOM 0 H SER A 100 2.828 8.255 -13.515 1.00 0.00 H new ATOM 0 HA SER A 100 5.085 9.623 -14.762 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.885 7.787 -15.588 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.378 8.965 -16.788 1.00 0.00 H new ATOM 0 HG SER A 100 4.676 7.128 -17.010 1.00 0.00 H new ATOM 1509 N ASP A 101 2.337 11.089 -14.189 1.00 0.00 N ATOM 1510 CA ASP A 101 1.560 12.317 -14.325 1.00 0.00 C ATOM 1511 C ASP A 101 2.294 13.503 -13.705 1.00 0.00 C ATOM 1512 O ASP A 101 1.865 14.649 -13.838 1.00 0.00 O ATOM 1513 CB ASP A 101 0.188 12.154 -13.668 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.916 11.937 -14.684 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.990 12.718 -15.656 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.707 10.987 -14.506 1.00 0.00 O ATOM 0 H ASP A 101 2.085 10.522 -13.380 1.00 0.00 H new ATOM 0 HA ASP A 101 1.427 12.513 -15.389 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.216 11.310 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.036 13.041 -13.076 1.00 0.00 H new ATOM 1521 N GLY A 102 3.406 13.221 -13.031 1.00 0.00 N ATOM 1522 CA GLY A 102 4.181 14.278 -12.406 1.00 0.00 C ATOM 1523 C GLY A 102 4.489 14.001 -10.947 1.00 0.00 C ATOM 1524 O GLY A 102 5.208 14.766 -10.305 1.00 0.00 O ATOM 0 H GLY A 102 3.783 12.281 -12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.116 14.407 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.634 15.218 -12.485 1.00 0.00 H new ATOM 1528 N ASN A 103 3.949 12.905 -10.422 1.00 0.00 N ATOM 1529 CA ASN A 103 4.177 12.534 -9.029 1.00 0.00 C ATOM 1530 C ASN A 103 5.621 12.085 -8.822 1.00 0.00 C ATOM 1531 O ASN A 103 6.528 12.583 -9.487 1.00 0.00 O ATOM 1532 CB ASN A 103 3.201 11.436 -8.610 1.00 0.00 C ATOM 1533 CG ASN A 103 1.826 11.991 -8.296 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.822 11.551 -8.856 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.774 12.970 -7.400 1.00 0.00 N ATOM 0 H ASN A 103 3.352 12.259 -10.939 1.00 0.00 H new ATOM 0 HA ASN A 103 4.003 13.408 -8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.121 10.698 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.592 10.918 -7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.877 13.387 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.631 13.305 -6.960 1.00 0.00 H new ATOM 1542 N GLY A 104 5.839 11.147 -7.903 1.00 0.00 N ATOM 1543 CA GLY A 104 7.184 10.669 -7.646 1.00 0.00 C ATOM 1544 C GLY A 104 7.307 10.002 -6.287 1.00 0.00 C ATOM 1545 O GLY A 104 8.309 10.181 -5.594 1.00 0.00 O ATOM 0 H GLY A 104 5.111 10.712 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.471 9.961 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.882 11.505 -7.703 1.00 0.00 H new ATOM 1549 N MET A 105 6.266 9.257 -5.902 1.00 0.00 N ATOM 1550 CA MET A 105 6.218 8.570 -4.614 1.00 0.00 C ATOM 1551 C MET A 105 5.816 9.554 -3.535 1.00 0.00 C ATOM 1552 O MET A 105 5.789 9.229 -2.348 1.00 0.00 O ATOM 1553 CB MET A 105 7.562 7.919 -4.269 1.00 0.00 C ATOM 1554 CG MET A 105 8.133 7.063 -5.389 1.00 0.00 C ATOM 1555 SD MET A 105 6.873 6.097 -6.243 1.00 0.00 S ATOM 1556 CE MET A 105 6.181 5.171 -4.878 1.00 0.00 C ATOM 0 H MET A 105 5.435 9.115 -6.476 1.00 0.00 H new ATOM 0 HA MET A 105 5.478 7.772 -4.678 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.280 8.700 -4.019 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.439 7.302 -3.379 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.641 7.706 -6.108 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.884 6.389 -4.978 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.077 4.124 -5.164 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.842 5.247 -4.014 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.202 5.576 -4.623 1.00 0.00 H new ATOM 1566 N ASN A 106 5.503 10.766 -3.971 1.00 0.00 N ATOM 1567 CA ASN A 106 5.097 11.834 -3.079 1.00 0.00 C ATOM 1568 C ASN A 106 3.578 11.901 -2.955 1.00 0.00 C ATOM 1569 O ASN A 106 3.048 12.315 -1.924 1.00 0.00 O ATOM 1570 CB ASN A 106 5.634 13.158 -3.609 1.00 0.00 C ATOM 1571 CG ASN A 106 6.993 13.507 -3.035 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.065 14.629 -2.327 1.00 0.00 O flip ATOM 1573 ND2 ASN A 106 7.967 12.778 -3.225 1.00 0.00 N flip ATOM 0 H ASN A 106 5.525 11.033 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 106 5.505 11.636 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.704 13.109 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.928 13.954 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.866 11.925 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.875 13.027 -2.832 1.00 0.00 H new ATOM 1580 N ALA A 107 2.884 11.488 -4.012 1.00 0.00 N ATOM 1581 CA ALA A 107 1.426 11.498 -4.021 1.00 0.00 C ATOM 1582 C ALA A 107 0.877 10.714 -2.838 1.00 0.00 C ATOM 1583 O ALA A 107 -0.072 11.139 -2.179 1.00 0.00 O ATOM 1584 CB ALA A 107 0.900 10.920 -5.325 1.00 0.00 C ATOM 0 H ALA A 107 3.309 11.142 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 107 1.090 12.531 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.190 10.934 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.264 11.518 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.248 9.893 -5.434 1.00 0.00 H new ATOM 1590 N TRP A 108 1.487 9.564 -2.578 1.00 0.00 N ATOM 1591 CA TRP A 108 1.073 8.708 -1.476 1.00 0.00 C ATOM 1592 C TRP A 108 1.655 9.215 -0.158 1.00 0.00 C ATOM 1593 O TRP A 108 2.863 9.424 -0.035 1.00 0.00 O ATOM 1594 CB TRP A 108 1.497 7.268 -1.759 1.00 0.00 C ATOM 1595 CG TRP A 108 0.979 6.766 -3.077 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.244 6.209 -3.316 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.660 6.791 -4.339 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.365 5.881 -4.645 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.791 6.228 -5.294 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.921 7.232 -4.753 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.142 6.098 -6.639 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.268 7.101 -6.085 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.382 6.539 -7.013 1.00 0.00 C ATOM 0 H TRP A 108 2.273 9.203 -3.118 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.013 8.734 -1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.585 7.205 -1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.135 6.622 -0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.007 6.049 -2.568 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.182 5.450 -5.078 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.611 7.667 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.461 5.666 -7.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.239 7.438 -6.416 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.684 6.452 -8.046 1.00 0.00 H new ATOM 1614 N VAL A 109 0.774 9.441 0.813 1.00 0.00 N ATOM 1615 CA VAL A 109 1.166 9.963 2.121 1.00 0.00 C ATOM 1616 C VAL A 109 1.882 8.937 2.990 1.00 0.00 C ATOM 1617 O VAL A 109 2.645 9.305 3.885 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.041 10.474 2.901 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.306 11.751 3.652 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.243 10.687 1.991 1.00 0.00 C ATOM 0 H VAL A 109 -0.227 9.269 0.717 1.00 0.00 H new ATOM 0 HA VAL A 109 1.856 10.778 1.902 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.313 9.711 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.569 12.099 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.119 11.553 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.617 12.518 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.085 11.051 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.993 11.419 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.513 9.743 1.518 1.00 0.00 H new ATOM 1630 N ALA A 110 1.647 7.658 2.738 1.00 0.00 N ATOM 1631 CA ALA A 110 2.290 6.609 3.521 1.00 0.00 C ATOM 1632 C ALA A 110 3.785 6.571 3.249 1.00 0.00 C ATOM 1633 O ALA A 110 4.566 6.095 4.074 1.00 0.00 O ATOM 1634 CB ALA A 110 1.658 5.259 3.224 1.00 0.00 C ATOM 0 H ALA A 110 1.022 7.322 2.005 1.00 0.00 H new ATOM 0 HA ALA A 110 2.143 6.834 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.150 4.488 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.598 5.290 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.772 5.029 2.165 1.00 0.00 H new ATOM 1640 N TRP A 111 4.177 7.090 2.095 1.00 0.00 N ATOM 1641 CA TRP A 111 5.583 7.130 1.727 1.00 0.00 C ATOM 1642 C TRP A 111 6.235 8.385 2.296 1.00 0.00 C ATOM 1643 O TRP A 111 7.388 8.352 2.725 1.00 0.00 O ATOM 1644 CB TRP A 111 5.754 7.067 0.206 1.00 0.00 C ATOM 1645 CG TRP A 111 7.186 7.109 -0.242 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.968 6.042 -0.582 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.008 8.274 -0.401 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.223 6.471 -0.941 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.272 7.836 -0.839 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.799 9.645 -0.216 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.320 8.718 -1.095 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.839 10.519 -0.471 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.085 10.052 -0.906 1.00 0.00 C ATOM 0 H TRP A 111 3.544 7.487 1.401 1.00 0.00 H new ATOM 0 HA TRP A 111 6.078 6.257 2.151 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.293 6.152 -0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.216 7.900 -0.246 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.647 5.011 -0.570 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.993 5.870 -1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.841 10.014 0.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.283 8.361 -1.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.688 11.579 -0.332 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.878 10.760 -1.096 1.00 0.00 H new ATOM 1664 N ARG A 112 5.492 9.491 2.320 1.00 0.00 N ATOM 1665 CA ARG A 112 6.004 10.744 2.863 1.00 0.00 C ATOM 1666 C ARG A 112 5.633 10.887 4.335 1.00 0.00 C ATOM 1667 O ARG A 112 5.196 11.951 4.775 1.00 0.00 O ATOM 1668 CB ARG A 112 5.437 11.920 2.085 1.00 0.00 C ATOM 1669 CG ARG A 112 6.440 12.582 1.154 1.00 0.00 C ATOM 1670 CD ARG A 112 6.644 14.046 1.507 1.00 0.00 C ATOM 1671 NE ARG A 112 7.487 14.732 0.531 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.672 16.050 0.513 1.00 0.00 C ATOM 1673 NH1 ARG A 112 7.076 16.819 1.414 1.00 0.00 N ATOM 1674 NH2 ARG A 112 8.453 16.597 -0.409 1.00 0.00 N ATOM 0 H ARG A 112 4.535 9.543 1.970 1.00 0.00 H new ATOM 0 HA ARG A 112 7.090 10.735 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.583 11.578 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.064 12.663 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.393 12.056 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.092 12.500 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.676 14.544 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.099 14.121 2.495 1.00 0.00 H new ATOM 0 HE ARG A 112 7.960 14.170 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 112 6.474 16.401 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.220 17.829 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.912 16.008 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.595 17.607 -0.423 1.00 0.00 H new ATOM 1688 N ASN A 113 5.812 9.819 5.089 1.00 0.00 N ATOM 1689 CA ASN A 113 5.497 9.834 6.513 1.00 0.00 C ATOM 1690 C ASN A 113 6.345 8.825 7.272 1.00 0.00 C ATOM 1691 O ASN A 113 7.150 9.190 8.130 1.00 0.00 O ATOM 1692 CB ASN A 113 4.013 9.536 6.732 1.00 0.00 C ATOM 1693 CG ASN A 113 3.510 10.044 8.070 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.297 10.408 8.944 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.193 10.067 8.237 1.00 0.00 N ATOM 0 H ASN A 113 6.173 8.930 4.744 1.00 0.00 H new ATOM 0 HA ASN A 113 5.723 10.829 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.432 9.994 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.849 8.460 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.796 10.396 9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.578 9.756 7.485 1.00 0.00 H new ATOM 1702 N ARG A 114 6.150 7.554 6.955 1.00 0.00 N ATOM 1703 CA ARG A 114 6.885 6.482 7.607 1.00 0.00 C ATOM 1704 C ARG A 114 8.010 5.959 6.723 1.00 0.00 C ATOM 1705 O ARG A 114 8.722 5.027 7.099 1.00 0.00 O ATOM 1706 CB ARG A 114 5.932 5.342 7.955 1.00 0.00 C ATOM 1707 CG ARG A 114 5.321 5.457 9.341 1.00 0.00 C ATOM 1708 CD ARG A 114 4.181 6.463 9.367 1.00 0.00 C ATOM 1709 NE ARG A 114 4.568 7.714 10.013 1.00 0.00 N ATOM 1710 CZ ARG A 114 4.386 7.963 11.307 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.824 7.051 12.089 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.766 9.125 11.819 1.00 0.00 N ATOM 0 H ARG A 114 5.486 7.239 6.247 1.00 0.00 H new ATOM 0 HA ARG A 114 7.330 6.884 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.131 5.312 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.469 4.396 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.954 4.481 9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.089 5.757 10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.855 6.668 8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.329 6.032 9.893 1.00 0.00 H new ATOM 0 HE ARG A 114 5.002 8.438 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.530 6.156 11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.686 7.245 13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.198 9.829 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.626 9.315 12.811 1.00 0.00 H new ATOM 1726 N CYS A 115 8.160 6.548 5.543 1.00 0.00 N ATOM 1727 CA CYS A 115 9.194 6.116 4.611 1.00 0.00 C ATOM 1728 C CYS A 115 10.243 7.196 4.374 1.00 0.00 C ATOM 1729 O CYS A 115 11.442 6.922 4.421 1.00 0.00 O ATOM 1730 CB CYS A 115 8.571 5.710 3.281 1.00 0.00 C ATOM 1731 SG CYS A 115 9.706 4.801 2.193 1.00 0.00 S ATOM 0 H CYS A 115 7.583 7.321 5.210 1.00 0.00 H new ATOM 0 HA CYS A 115 9.693 5.259 5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.694 5.093 3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.224 6.605 2.764 1.00 0.00 H new ATOM 1736 N LYS A 116 9.792 8.417 4.104 1.00 0.00 N ATOM 1737 CA LYS A 116 10.703 9.526 3.845 1.00 0.00 C ATOM 1738 C LYS A 116 11.707 9.694 4.980 1.00 0.00 C ATOM 1739 O LYS A 116 11.417 10.339 5.988 1.00 0.00 O ATOM 1740 CB LYS A 116 9.917 10.823 3.648 1.00 0.00 C ATOM 1741 CG LYS A 116 10.760 11.971 3.117 1.00 0.00 C ATOM 1742 CD LYS A 116 9.990 12.810 2.111 1.00 0.00 C ATOM 1743 CE LYS A 116 10.877 13.251 0.958 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.951 14.734 0.850 1.00 0.00 N ATOM 0 H LYS A 116 8.803 8.663 4.059 1.00 0.00 H new ATOM 0 HA LYS A 116 11.255 9.299 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.094 10.638 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.475 11.118 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.082 12.601 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.661 11.575 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.148 12.235 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.575 13.687 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.880 12.847 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.492 12.838 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.046 15.005 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.084 15.154 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.775 15.080 1.382 1.00 0.00 H new ATOM 1758 N GLY A 117 12.892 9.115 4.808 1.00 0.00 N ATOM 1759 CA GLY A 117 13.921 9.219 5.824 1.00 0.00 C ATOM 1760 C GLY A 117 14.474 7.872 6.248 1.00 0.00 C ATOM 1761 O GLY A 117 15.254 7.790 7.197 1.00 0.00 O ATOM 0 H GLY A 117 13.157 8.576 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.735 9.837 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.512 9.729 6.696 1.00 0.00 H new ATOM 1765 N THR A 118 14.075 6.810 5.551 1.00 0.00 N ATOM 1766 CA THR A 118 14.545 5.467 5.872 1.00 0.00 C ATOM 1767 C THR A 118 15.343 4.876 4.710 1.00 0.00 C ATOM 1768 O THR A 118 15.981 5.607 3.953 1.00 0.00 O ATOM 1769 CB THR A 118 13.369 4.531 6.211 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.495 4.413 5.082 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.591 5.052 7.409 1.00 0.00 C ATOM 0 H THR A 118 13.429 6.855 4.763 1.00 0.00 H new ATOM 0 HA THR A 118 15.192 5.551 6.745 1.00 0.00 H new ATOM 0 HB THR A 118 13.774 3.550 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.142 5.297 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.766 4.375 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.252 5.112 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.197 6.043 7.184 1.00 0.00 H new ATOM 1779 N ASP A 119 15.307 3.552 4.573 1.00 0.00 N ATOM 1780 CA ASP A 119 16.033 2.878 3.503 1.00 0.00 C ATOM 1781 C ASP A 119 15.174 1.828 2.809 1.00 0.00 C ATOM 1782 O ASP A 119 14.950 0.741 3.339 1.00 0.00 O ATOM 1783 CB ASP A 119 17.290 2.240 4.041 1.00 0.00 C ATOM 1784 CG ASP A 119 18.400 2.181 3.010 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.458 1.188 2.256 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.212 3.130 2.958 1.00 0.00 O ATOM 0 H ASP A 119 14.784 2.928 5.188 1.00 0.00 H new ATOM 0 HA ASP A 119 16.299 3.634 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.635 2.801 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.063 1.230 4.383 1.00 0.00 H new ATOM 1791 N VAL A 120 14.701 2.165 1.614 1.00 0.00 N ATOM 1792 CA VAL A 120 13.871 1.265 0.828 1.00 0.00 C ATOM 1793 C VAL A 120 14.718 0.164 0.207 1.00 0.00 C ATOM 1794 O VAL A 120 14.253 -0.960 0.018 1.00 0.00 O ATOM 1795 CB VAL A 120 13.121 2.020 -0.286 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.195 3.068 0.309 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.103 2.658 -1.259 1.00 0.00 C ATOM 0 H VAL A 120 14.882 3.064 1.167 1.00 0.00 H new ATOM 0 HA VAL A 120 13.138 0.824 1.504 1.00 0.00 H new ATOM 0 HB VAL A 120 12.514 1.302 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.674 3.591 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.467 2.583 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.779 3.783 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.553 3.186 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.740 3.362 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.721 1.883 -1.713 1.00 0.00 H new ATOM 1807 N GLN A 121 15.972 0.492 -0.097 1.00 0.00 N ATOM 1808 CA GLN A 121 16.890 -0.477 -0.677 1.00 0.00 C ATOM 1809 C GLN A 121 17.040 -1.658 0.268 1.00 0.00 C ATOM 1810 O GLN A 121 17.369 -2.771 -0.147 1.00 0.00 O ATOM 1811 CB GLN A 121 18.253 0.165 -0.942 1.00 0.00 C ATOM 1812 CG GLN A 121 18.364 0.814 -2.312 1.00 0.00 C ATOM 1813 CD GLN A 121 19.687 1.527 -2.513 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.752 0.978 -2.226 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.627 2.757 -3.007 1.00 0.00 N ATOM 0 H GLN A 121 16.372 1.419 0.049 1.00 0.00 H new ATOM 0 HA GLN A 121 16.487 -0.824 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.446 0.917 -0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.028 -0.595 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.246 0.052 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.549 1.526 -2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.723 3.173 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.485 3.286 -3.163 1.00 0.00 H new ATOM 1824 N ALA A 122 16.776 -1.401 1.546 1.00 0.00 N ATOM 1825 CA ALA A 122 16.856 -2.429 2.570 1.00 0.00 C ATOM 1826 C ALA A 122 15.512 -3.127 2.728 1.00 0.00 C ATOM 1827 O ALA A 122 15.441 -4.255 3.214 1.00 0.00 O ATOM 1828 CB ALA A 122 17.302 -1.824 3.893 1.00 0.00 C ATOM 0 H ALA A 122 16.503 -0.482 1.895 1.00 0.00 H new ATOM 0 HA ALA A 122 17.594 -3.170 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.357 -2.606 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.284 -1.367 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.585 -1.065 4.206 1.00 0.00 H new ATOM 1834 N TRP A 123 14.443 -2.451 2.302 1.00 0.00 N ATOM 1835 CA TRP A 123 13.100 -3.021 2.391 1.00 0.00 C ATOM 1836 C TRP A 123 12.987 -4.278 1.534 1.00 0.00 C ATOM 1837 O TRP A 123 12.077 -5.087 1.718 1.00 0.00 O ATOM 1838 CB TRP A 123 12.049 -1.999 1.953 1.00 0.00 C ATOM 1839 CG TRP A 123 11.527 -1.153 3.075 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.326 0.195 3.055 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.134 -1.595 4.383 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.838 0.616 4.267 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.713 -0.468 5.095 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.098 -2.833 5.022 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.266 -0.550 6.406 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.653 -2.913 6.321 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.241 -1.774 7.004 1.00 0.00 C ATOM 0 H TRP A 123 14.481 -1.516 1.896 1.00 0.00 H new ATOM 0 HA TRP A 123 12.919 -3.289 3.432 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.481 -1.350 1.191 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.215 -2.525 1.488 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.522 0.838 2.209 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.606 1.579 4.511 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.417 -3.723 4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.946 0.333 6.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.623 -3.872 6.817 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.896 -1.861 8.024 1.00 0.00 H new ATOM 1858 N ILE A 124 13.920 -4.437 0.601 1.00 0.00 N ATOM 1859 CA ILE A 124 13.932 -5.595 -0.283 1.00 0.00 C ATOM 1860 C ILE A 124 15.284 -6.300 -0.235 1.00 0.00 C ATOM 1861 O ILE A 124 15.579 -7.159 -1.066 1.00 0.00 O ATOM 1862 CB ILE A 124 13.620 -5.202 -1.739 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.485 -4.016 -2.168 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.142 -4.873 -1.893 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.291 -4.280 -3.422 1.00 0.00 C ATOM 0 H ILE A 124 14.679 -3.776 0.438 1.00 0.00 H new ATOM 0 HA ILE A 124 13.154 -6.272 0.071 1.00 0.00 H new ATOM 0 HB ILE A 124 13.853 -6.048 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.844 -3.150 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.165 -3.759 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.937 -4.597 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.545 -5.745 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.884 -4.041 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.881 -3.397 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.957 -5.126 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.616 -4.507 -4.247 1.00 0.00 H new ATOM 1877 N ARG A 125 16.099 -5.925 0.746 1.00 0.00 N ATOM 1878 CA ARG A 125 17.423 -6.514 0.912 1.00 0.00 C ATOM 1879 C ARG A 125 17.319 -7.991 1.280 1.00 0.00 C ATOM 1880 O ARG A 125 17.233 -8.344 2.457 1.00 0.00 O ATOM 1881 CB ARG A 125 18.208 -5.762 1.988 1.00 0.00 C ATOM 1882 CG ARG A 125 19.708 -5.995 1.921 1.00 0.00 C ATOM 1883 CD ARG A 125 20.228 -6.646 3.193 1.00 0.00 C ATOM 1884 NE ARG A 125 19.810 -5.919 4.389 1.00 0.00 N ATOM 1885 CZ ARG A 125 20.376 -4.789 4.802 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.380 -4.259 4.118 1.00 0.00 N ATOM 1887 NH2 ARG A 125 19.938 -4.190 5.901 1.00 0.00 N ATOM 0 H ARG A 125 15.865 -5.214 1.439 1.00 0.00 H new ATOM 0 HA ARG A 125 17.952 -6.431 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.010 -4.695 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.845 -6.066 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.941 -6.629 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.218 -5.045 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.867 -7.673 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.316 -6.692 3.158 1.00 0.00 H new ATOM 0 HE ARG A 125 19.040 -6.300 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.720 -4.718 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.813 -3.392 4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 125 19.166 -4.596 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 125 20.373 -3.323 6.217 1.00 0.00 H new ATOM 1901 N GLY A 126 17.326 -8.851 0.265 1.00 0.00 N ATOM 1902 CA GLY A 126 17.233 -10.281 0.501 1.00 0.00 C ATOM 1903 C GLY A 126 16.029 -10.904 -0.178 1.00 0.00 C ATOM 1904 O GLY A 126 15.843 -12.121 -0.130 1.00 0.00 O ATOM 0 H GLY A 126 17.394 -8.583 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.140 -10.765 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.177 -10.466 1.574 1.00 0.00 H new ATOM 1908 N CYS A 127 15.209 -10.069 -0.810 1.00 0.00 N ATOM 1909 CA CYS A 127 14.016 -10.540 -1.500 1.00 0.00 C ATOM 1910 C CYS A 127 14.370 -11.450 -2.671 1.00 0.00 C ATOM 1911 O CYS A 127 15.534 -11.800 -2.870 1.00 0.00 O ATOM 1912 CB CYS A 127 13.197 -9.360 -1.984 1.00 0.00 C ATOM 1913 SG CYS A 127 11.944 -8.781 -0.796 1.00 0.00 S ATOM 0 H CYS A 127 15.351 -9.060 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 127 13.427 -11.123 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.871 -8.535 -2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.700 -9.635 -2.914 1.00 0.00 H new ATOM 1918 N ARG A 128 13.358 -11.829 -3.445 1.00 0.00 N ATOM 1919 CA ARG A 128 13.560 -12.699 -4.598 1.00 0.00 C ATOM 1920 C ARG A 128 12.806 -12.172 -5.816 1.00 0.00 C ATOM 1921 O ARG A 128 11.713 -12.641 -6.133 1.00 0.00 O ATOM 1922 CB ARG A 128 13.105 -14.123 -4.277 1.00 0.00 C ATOM 1923 CG ARG A 128 11.860 -14.186 -3.406 1.00 0.00 C ATOM 1924 CD ARG A 128 12.194 -14.618 -1.988 1.00 0.00 C ATOM 1925 NE ARG A 128 12.908 -15.892 -1.958 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.640 -16.304 -0.926 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.755 -15.545 0.155 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.258 -17.476 -0.977 1.00 0.00 N ATOM 0 H ARG A 128 12.389 -11.547 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 128 14.625 -12.711 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.912 -14.652 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.916 -14.649 -3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.379 -13.208 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.145 -14.884 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.802 -13.850 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.274 -14.704 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 128 12.842 -16.500 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.282 -14.642 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.317 -15.864 0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.172 -18.062 -1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.819 -17.792 -0.186 1.00 0.00 H new ATOM 1942 N LEU A 129 13.398 -11.193 -6.493 1.00 0.00 N ATOM 1943 CA LEU A 129 12.784 -10.600 -7.675 1.00 0.00 C ATOM 1944 C LEU A 129 13.790 -10.494 -8.816 1.00 0.00 C ATOM 1945 O LEU A 129 13.404 -10.764 -9.973 1.00 0.00 O ATOM 1946 CB LEU A 129 12.221 -9.215 -7.345 1.00 0.00 C ATOM 1947 CG LEU A 129 13.144 -8.324 -6.512 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.842 -7.304 -7.398 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.359 -7.628 -5.411 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.958 -10.141 -8.544 1.00 0.00 O ATOM 0 H LEU A 129 14.303 -10.794 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 129 11.968 -11.249 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.990 -8.701 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.280 -9.340 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 129 13.904 -8.952 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.495 -6.679 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.436 -7.822 -8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.097 -6.679 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.031 -6.998 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.578 -7.011 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.905 -8.375 -4.760 1.00 0.00 H new